#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3y n GLU 21 N 0.00 2.62 0.00 0.11 0.28 -1.26 -4.24 120.64 118.15 3m3y n GLU 21 Ca 0.00 -3.05 0.00 0.00 -0.16 0.00 0.00 57.16 53.95 3m3y n GLU 21 Cb 0.00 -1.95 0.00 0.00 1.43 0.00 0.00 31.44 30.92 3m3y n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3m3y n SER 22 N -0.74 0.28 -4.54 -1.84 7.64 -1.26 -3.42 113.62 109.74 3m3y n SER 22 Ca 0.34 -0.69 -0.40 0.00 1.01 0.00 0.00 58.87 59.13 3m3y n SER 22 Cb 1.14 0.19 0.02 0.00 -1.01 0.00 0.00 64.21 64.56 3m3y n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m3y n ALA 23 N -0.19 -0.50 -1.53 -0.43 0.00 -1.26 -4.71 120.51 111.88 3m3y n ALA 23 Ca 0.00 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 3m3y n ALA 23 Cb 0.08 -1.96 0.04 0.00 0.00 0.00 0.00 19.45 17.61 3m3y n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3m3y s PRO 24 N -2.02 2.91 1.01 0.00 0.04 -1.26 -1.30 135.00 134.37 3m3y s PRO 24 Ca 0.66 1.16 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 3m3y s PRO 24 Cb -0.53 -1.98 0.20 0.00 0.04 0.00 0.00 34.50 32.23 3m3y s PRO 24 CO 0.55 -1.13 1.08 0.42 0.04 0.00 0.00 177.00 177.96 3m3y s ILE 25 N -2.69 2.25 0.33 0.56 1.01 -1.26 -4.63 121.20 116.78 3m3y s ILE 25 Ca 0.62 0.08 0.05 0.00 0.00 0.00 0.00 60.65 61.40 3m3y s ILE 25 Cb -0.16 -2.30 -0.07 0.00 0.01 0.00 0.00 42.46 39.94 3m3y s ILE 25 CO 0.46 -0.11 0.02 0.42 0.00 0.00 0.00 174.94 175.74 3m3y s THR 26 N -2.69 1.44 0.30 2.92 -4.23 -1.26 -4.38 115.64 107.74 3m3y s THR 26 Ca 0.66 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 59.20 3m3y s THR 26 Cb -0.22 -2.75 0.31 0.00 1.34 0.00 0.00 72.50 71.18 3m3y s THR 26 CO 0.60 -0.07 1.68 0.00 -0.54 0.00 0.00 174.62 176.28 3m3y h ALA 27 N 2.09 1.53 -0.92 3.99 0.00 -1.97 0.36 119.26 124.35 3m3y h ALA 27 Ca -0.41 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3m3y h ALA 27 Cb 1.24 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 3m3y h ALA 27 CO 0.71 -0.42 0.59 1.49 0.00 0.00 0.00 179.25 181.62 3m3y h GLU 28 N 0.34 1.09 0.00 0.00 4.22 -2.01 -1.23 114.58 116.99 3m3y h GLU 28 Ca 0.60 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.98 3m3y h GLU 28 Cb 1.22 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3m3y h GLU 28 CO -0.58 0.72 0.00 -0.25 -2.18 0.00 0.00 179.01 176.72 3m3y n ASP 29 N -4.53 0.00 0.11 1.04 8.00 0.11 -2.32 116.55 118.97 3m3y n ASP 29 Ca 0.12 -0.14 -0.23 0.00 0.71 0.00 0.00 54.79 55.26 3m3y n ASP 29 Cb 0.12 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.07 3m3y n ASP 29 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3m3y h SER 30 N 0.00 0.84 1.02 -2.24 0.87 -1.28 -3.14 113.55 109.61 3m3y h SER 30 Ca 0.00 -0.82 -0.01 0.00 -1.23 0.00 0.00 61.79 59.73 3m3y h SER 30 Cb 0.00 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.69 3m3y h SER 30 CO 0.00 1.63 -0.06 -0.50 -0.53 0.00 0.00 176.83 177.36 3m3y h TRP 31 N 0.22 0.00 -0.43 2.24 4.06 -1.64 -2.15 115.95 118.25 3m3y h TRP 31 Ca -0.21 0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.81 3m3y h TRP 31 Cb 2.01 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 30.11 3m3y h TRP 31 CO 0.12 0.06 0.08 0.00 -3.56 0.00 0.00 178.44 175.14 3m3y h ALA 32 N 1.94 0.46 -0.18 1.49 0.00 -1.70 0.16 119.26 121.44 3m3y h ALA 32 Ca -0.00 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 3m3y h ALA 32 Cb 0.59 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3m3y h ALA 32 CO 0.01 -0.32 -0.69 0.28 0.00 0.00 0.00 179.25 178.52 3m3y h VAL 33 N 0.21 1.30 0.19 0.00 2.07 -1.50 -2.55 116.25 115.96 3m3y h VAL 33 Ca 0.21 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 3m3y h VAL 33 Cb 0.26 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3m3y h VAL 33 CO -0.28 0.61 -0.09 0.40 0.02 0.00 0.00 177.57 178.23 3m3y h ILE 34 N 0.52 0.89 -0.92 4.57 2.04 -1.30 -2.11 117.51 121.20 3m3y h ILE 34 Ca -0.03 -0.39 0.27 0.00 1.00 0.00 0.00 64.86 65.71 3m3y h ILE 34 Cb 1.30 1.13 -0.17 0.00 -0.74 0.00 0.00 36.82 38.33 3m3y h ILE 34 CO 0.14 0.09 0.08 -1.20 0.00 0.00 0.00 178.15 177.26 3m3y n SER 35 N -5.11 -0.05 -0.06 1.72 7.64 0.03 -2.04 113.62 115.75 3m3y n SER 35 Ca -0.09 1.57 -0.12 0.00 1.01 0.00 0.00 58.87 61.24 3m3y n SER 35 Cb 0.19 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 3m3y n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m3y h ALA 36 N 1.85 0.25 -2.20 -0.43 0.00 -0.96 -2.41 119.26 115.36 3m3y h ALA 36 Ca 0.59 -0.23 -0.46 0.00 0.00 0.00 0.00 54.91 54.81 3m3y h ALA 36 Cb 1.28 -0.06 0.20 0.00 0.00 0.00 0.00 17.79 19.21 3m3y h ALA 36 CO -0.85 -0.00 0.08 0.12 0.00 0.00 0.00 179.25 178.60 3m3y s PHE 37 N -4.82 1.51 0.00 0.00 5.36 -0.87 -2.58 117.98 116.59 3m3y s PHE 37 Ca -0.14 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.12 3m3y s PHE 37 Cb 0.06 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.58 3m3y s PHE 37 CO 0.73 -3.53 0.00 1.19 -1.46 0.00 0.00 175.22 172.16 3m3y n PHE 38 N -4.69 0.00 -0.30 10.12 0.99 -1.26 -4.11 117.46 118.22 3m3y n PHE 38 Ca 0.05 0.00 0.25 0.00 -0.00 0.00 0.00 57.45 57.75 3m3y n PHE 38 Cb 0.54 0.00 0.58 0.00 -1.00 0.00 0.00 39.48 39.60 3m3y n PHE 38 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3m3y h ARG 39 N 0.00 0.27 0.00 -1.08 2.43 -1.44 0.73 114.38 115.29 3m3y h ARG 39 Ca 0.00 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 3m3y h ARG 39 Cb 0.00 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.44 3m3y h ARG 39 CO 0.00 0.18 -2.23 -1.91 -1.51 0.00 0.00 179.97 174.50 3m3y n GLU 40 N -4.50 0.68 -0.01 0.20 2.13 -1.07 -4.63 120.64 113.45 3m3y n GLU 40 Ca 0.24 -0.05 0.02 0.00 0.66 0.00 0.00 57.16 58.03 3m3y n GLU 40 Cb 0.94 -1.54 -0.06 0.00 0.27 0.00 0.00 31.44 31.05 3m3y n GLU 40 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3m3y n LYS 41 N -2.62 0.76 0.00 5.31 5.02 -1.16 -5.11 118.16 120.37 3m3y n LYS 41 Ca -0.23 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 3m3y n LYS 41 Cb 0.97 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 3m3y n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m3y n GLY 42 N 2.16 0.95 0.03 0.72 0.00 0.25 -3.45 105.19 105.86 3m3y n GLY 42 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.29 3m3y n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m3y n LEU 43 N 0.00 0.45 -0.22 0.99 4.77 -1.26 -4.59 117.00 117.14 3m3y n LEU 43 Ca 0.00 -0.65 0.06 0.00 -0.03 0.00 0.00 56.01 55.39 3m3y n LEU 43 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3m3y n LEU 43 CO 0.00 0.10 0.45 1.33 -1.33 0.00 0.00 177.39 177.94 3m3y n VAL 44 N -0.69 1.16 -0.26 4.08 0.24 -1.26 -4.88 118.33 116.72 3m3y n VAL 44 Ca 0.01 -1.39 0.12 0.00 -2.04 0.00 0.00 64.34 61.04 3m3y n VAL 44 Cb 0.04 0.07 0.24 0.00 -1.47 0.00 0.00 33.84 32.73 3m3y n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3m3y n SER 45 N -0.88 -0.05 -0.06 -1.34 3.41 -1.22 -0.60 113.62 112.87 3m3y n SER 45 Ca 0.10 1.28 -0.04 0.00 -0.26 0.00 0.00 58.87 59.94 3m3y n SER 45 Cb 0.64 -0.48 0.17 0.00 -0.26 0.00 0.00 64.21 64.29 3m3y n SER 45 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3m3y h GLN 46 N 0.00 0.68 0.81 4.33 -0.00 -1.91 0.23 115.11 119.25 3m3y h GLN 46 Ca 0.47 -0.21 -0.04 0.00 -0.00 0.00 0.00 58.65 58.88 3m3y h GLN 46 Cb 1.01 -0.06 0.01 0.00 -0.00 0.00 0.00 27.48 28.44 3m3y h GLN 46 CO -0.70 0.77 -0.39 1.96 -0.00 0.00 0.00 178.83 180.47 3m3y h GLN 47 N 0.62 -1.05 -0.73 0.06 1.08 -1.22 -1.72 115.11 112.15 3m3y h GLN 47 Ca 0.11 0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.45 3m3y h GLN 47 Cb 0.54 0.24 -0.06 0.00 -0.05 0.00 0.00 27.48 28.15 3m3y h GLN 47 CO 0.03 -0.69 0.41 -0.07 -0.95 0.00 0.00 178.83 177.56 3m3y h LEU 48 N -1.14 0.60 -0.41 1.46 3.38 -1.47 -1.91 115.31 115.83 3m3y h LEU 48 Ca -0.11 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3m3y h LEU 48 Cb 0.84 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3m3y h LEU 48 CO 0.18 0.38 -0.04 0.44 0.09 0.00 0.00 178.44 179.48 3m3y h ASP 49 N 0.74 0.75 -0.03 -0.43 3.45 -0.47 -0.55 116.42 119.87 3m3y h ASP 49 Ca 0.33 -0.33 0.02 0.00 0.43 0.00 0.00 57.03 57.48 3m3y h ASP 49 Cb 0.24 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 3m3y h ASP 49 CO -0.20 0.90 -0.06 -1.28 -1.57 0.00 0.00 179.24 177.03 3m3y h SER 50 N 0.58 -0.18 -0.15 6.45 0.87 -1.22 -2.63 113.55 117.26 3m3y h SER 50 Ca 0.11 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3m3y h SER 50 Cb 0.55 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3m3y h SER 50 CO 0.03 -0.09 0.00 0.15 -0.53 0.00 0.00 176.83 176.39 3m3y h PHE 51 N -0.09 0.30 -0.96 2.24 3.57 -0.99 -2.67 116.94 118.34 3m3y h PHE 51 Ca 0.04 -0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.59 3m3y h PHE 51 Cb 0.14 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 3m3y h PHE 51 CO -0.15 0.49 0.61 -0.91 -2.23 0.00 0.00 178.31 176.13 3m3y h ASN 52 N 0.01 0.87 -0.96 0.41 2.35 -1.15 -1.56 115.58 115.56 3m3y h ASN 52 Ca 0.04 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3m3y h ASN 52 Cb 0.37 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 3m3y h ASN 52 CO 0.01 0.49 0.64 -0.61 -1.65 0.00 0.00 177.43 176.31 3m3y h GLN 53 N 0.95 1.25 0.14 0.81 5.75 -1.23 0.86 115.11 123.65 3m3y h GLN 53 Ca 0.46 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.88 3m3y h GLN 53 Cb 0.45 -0.28 0.00 0.00 1.07 0.00 0.00 27.48 28.72 3m3y h GLN 53 CO -0.22 0.83 -0.07 0.35 -2.65 0.00 0.00 178.83 177.07 3m3y h PHE 54 N 1.29 -0.17 -0.17 3.99 3.57 -0.99 -1.33 116.94 123.13 3m3y h PHE 54 Ca 0.36 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 3m3y h PHE 54 Cb -0.12 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3m3y h PHE 54 CO -0.00 0.14 0.10 0.28 -2.23 0.00 0.00 178.31 176.60 3m3y h VAL 55 N -0.50 1.07 0.00 1.41 2.07 -1.19 -1.40 116.25 117.71 3m3y h VAL 55 Ca -0.02 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3m3y h VAL 55 Cb 0.39 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3m3y h VAL 55 CO 0.03 0.07 -0.07 0.44 0.02 0.00 0.00 177.57 178.06 3m3y h ASP 56 N 0.20 0.00 0.00 0.57 3.32 -0.81 -3.39 116.42 116.31 3m3y h ASP 56 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3m3y h ASP 56 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3m3y h ASP 56 CO -0.01 0.07 -0.07 -1.22 -1.72 0.00 0.00 179.24 176.28 3m3y n TYR 57 N -3.14 -1.24 0.24 4.55 4.02 -0.52 -4.86 117.16 116.20 3m3y n TYR 57 Ca 0.02 0.22 0.10 0.00 -0.01 0.00 0.00 57.90 58.23 3m3y n TYR 57 Cb 0.47 0.46 0.58 0.00 -0.02 0.00 0.00 39.34 40.84 3m3y n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3m3y h THR 58 N 0.00 0.71 -0.29 -0.72 2.02 -1.29 -3.06 112.91 110.28 3m3y h THR 58 Ca 0.00 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.27 3m3y h THR 58 Cb 0.07 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3m3y h THR 58 CO 0.00 0.20 -0.11 0.25 0.37 0.00 0.00 175.52 176.22 3m3y h LEU 59 N 0.00 0.59 -2.01 2.58 5.85 -1.45 -2.39 115.31 118.47 3m3y h LEU 59 Ca -0.00 -0.39 0.14 0.00 0.84 0.00 0.00 57.88 58.47 3m3y h LEU 59 Cb 0.50 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3m3y h LEU 59 CO 0.03 0.85 0.42 -0.61 -0.34 0.00 0.00 178.44 178.79 3m3y h GLN 60 N 0.33 0.00 0.00 1.25 5.75 -1.80 -3.08 115.11 117.57 3m3y h GLN 60 Ca 0.07 0.00 -0.37 0.00 -0.15 0.00 0.00 58.65 58.20 3m3y h GLN 60 Cb 0.62 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.10 3m3y h GLN 60 CO 0.04 0.00 -2.36 -0.25 -2.65 0.00 0.00 178.83 173.61 3m3y n ASP 61 N -4.04 0.64 0.24 -0.69 8.00 -1.06 -3.53 116.55 116.11 3m3y n ASP 61 Ca 0.09 -0.01 0.17 0.00 0.71 0.00 0.00 54.79 55.75 3m3y n ASP 61 Cb 0.63 0.50 0.86 0.00 -0.02 0.00 0.00 41.12 43.10 3m3y n ASP 61 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3m3y h ILE 62 N 0.00 0.47 -0.02 0.53 1.08 -1.42 -1.07 117.51 117.08 3m3y h ILE 62 Ca -0.54 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 63.76 3m3y h ILE 62 Cb 2.14 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 36.76 3m3y h ILE 62 CO 0.00 0.00 -0.75 0.40 -0.69 0.00 0.00 178.15 177.11 3m3y h ILE 63 N 0.00 1.48 -3.07 -0.67 5.03 -1.58 -3.46 117.51 115.23 3m3y h ILE 63 Ca 0.06 -2.41 -0.64 0.00 -0.12 0.00 0.00 64.86 61.74 3m3y h ILE 63 Cb 0.34 2.30 -0.12 0.00 -3.03 0.00 0.00 36.82 36.31 3m3y h ILE 63 CO -0.00 0.70 -0.53 0.00 -0.68 0.00 0.00 178.15 177.64 3m3y n GLU 65 N 2.74 0.00 -0.32 0.00 0.00 -1.26 -4.63 120.64 117.16 3m3y n GLU 65 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 56.95 3m3y n GLU 65 Cb 0.53 0.00 0.09 0.00 0.00 0.00 0.00 31.44 32.06 3m3y n GLU 65 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 3m3y h ASP 66 N 0.00 0.99 -0.01 -1.84 1.82 -1.95 -3.31 116.42 112.12 3m3y h ASP 66 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 3m3y h ASP 66 Cb 0.00 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 39.77 3m3y h ASP 66 CO 0.00 0.71 -0.00 -0.24 -1.61 0.00 0.00 179.24 178.09 3m3y n SER 67 N -4.49 -0.01 -4.72 2.28 2.88 -1.26 -4.54 113.62 103.77 3m3y n SER 67 Ca 0.10 0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.24 3m3y n SER 67 Cb 0.03 -0.01 -0.03 0.00 -0.75 0.00 0.00 64.21 63.45 3m3y n SER 67 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3m3y s THR 68 N -5.01 4.59 -0.10 2.46 -1.32 -1.25 -4.63 115.64 110.39 3m3y s THR 68 Ca -0.00 1.93 0.02 0.00 -1.21 0.00 0.00 61.69 62.44 3m3y s THR 68 Cb 0.00 -4.24 0.01 0.00 -1.51 0.00 0.00 72.50 66.77 3m3y s THR 68 CO 0.01 0.19 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.68 3m3y s LEU 69 N 0.73 1.80 -0.19 9.08 1.43 -1.26 -5.03 118.68 125.23 3m3y s LEU 69 Ca 0.52 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 3m3y s LEU 69 Cb -0.23 -1.11 0.05 0.00 0.03 0.00 0.00 46.19 44.92 3m3y s LEU 69 CO 0.29 0.05 0.50 -0.51 0.23 0.00 0.00 176.35 176.91 3m3y s ILE 70 N 0.79 0.00 -0.03 -0.59 1.10 -1.26 -4.73 121.20 116.48 3m3y s ILE 70 Ca -0.11 -0.00 -0.00 0.00 -0.51 0.00 0.00 60.65 60.02 3m3y s ILE 70 Cb -0.16 -0.70 0.00 0.00 0.15 0.00 0.00 42.46 41.75 3m3y s ILE 70 CO 0.02 -0.00 0.02 -0.38 -2.11 0.00 0.00 174.94 172.48 3m3y n ILE 90 N 2.78 -2.73 -4.98 2.00 2.08 -1.23 -5.19 119.36 112.10 3m3y n ILE 90 Ca -0.14 0.11 -0.27 0.00 0.56 0.00 0.00 62.75 63.02 3m3y n ILE 90 Cb 0.57 -4.23 -0.16 0.00 -0.75 0.00 0.00 39.64 35.07 3m3y n ILE 90 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3m3y s SER 91 N -0.49 2.36 0.55 4.38 1.04 -0.77 -4.78 113.70 115.99 3m3y s SER 91 Ca 0.01 -0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.00 3m3y s SER 91 Cb -0.00 -0.32 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 3m3y s SER 91 CO 0.06 0.24 0.88 -0.36 0.98 0.00 0.00 173.24 175.03 3m3y s PHE 92 N -0.41 3.47 0.00 5.02 0.40 -1.26 -2.28 117.98 122.92 3m3y s PHE 92 Ca 0.06 0.85 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 3m3y s PHE 92 Cb -0.08 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.91 3m3y s PHE 92 CO -0.00 -0.56 0.00 0.41 0.70 0.00 0.00 175.22 175.77 3m3y n GLY 93 N -2.48 4.62 3.68 4.36 0.00 -0.90 -4.96 105.19 109.52 3m3y n GLY 93 Ca 0.03 -0.79 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 3m3y n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m3y n LYS 94 N 0.00 2.34 -3.20 1.61 4.81 -1.26 -4.50 118.16 117.96 3m3y n LYS 94 Ca 0.00 0.85 -0.39 0.00 -0.87 0.00 0.00 58.31 57.90 3m3y n LYS 94 Cb 0.00 -2.65 -0.06 0.00 0.02 0.00 0.00 35.03 32.34 3m3y n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3m3y s ILE 95 N 1.45 4.80 -0.12 3.15 1.10 -1.26 -2.88 121.20 127.45 3m3y s ILE 95 Ca 0.80 1.29 0.02 0.00 -0.51 0.00 0.00 60.65 62.25 3m3y s ILE 95 Cb -0.63 -3.95 -0.00 0.00 0.15 0.00 0.00 42.46 38.03 3m3y s ILE 95 CO 0.38 0.47 -0.20 -0.31 -2.11 0.00 0.00 174.94 173.17 3m3y s TYR 96 N -0.55 2.66 -0.12 3.50 4.12 0.45 -4.94 117.35 122.48 3m3y s TYR 96 Ca 0.31 -0.93 -0.00 0.00 0.02 0.00 0.00 57.07 56.47 3m3y s TYR 96 Cb -0.19 -1.77 -0.02 0.00 -1.52 0.00 0.00 41.96 38.46 3m3y s TYR 96 CO 0.19 -0.36 -0.10 0.14 0.02 0.00 0.00 175.55 175.43 3m3y s VAL 97 N 0.40 3.36 0.91 0.71 -7.23 -1.26 -0.02 120.40 117.26 3m3y s VAL 97 Ca -0.15 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.34 3m3y s VAL 97 Cb -0.17 -2.41 0.19 0.00 0.56 0.00 0.00 36.38 34.55 3m3y s VAL 97 CO 0.07 0.54 1.24 -0.89 -0.31 0.00 0.00 175.10 175.75 3m3y s THR 98 N 0.05 2.02 0.56 5.32 2.01 -1.07 -4.95 115.64 119.58 3m3y s THR 98 Ca -0.03 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 3m3y s THR 98 Cb -0.14 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 3m3y s THR 98 CO 0.04 0.00 0.96 -0.54 -0.69 0.00 0.00 174.62 174.39 3m3y s LYS 99 N -5.71 3.69 0.66 4.92 -0.14 -1.26 -4.59 119.74 117.32 3m3y s LYS 99 Ca 0.73 0.70 -0.17 0.00 -1.36 0.00 0.00 55.97 55.87 3m3y s LYS 99 Cb -0.04 -2.16 0.00 0.00 -1.68 0.00 0.00 37.83 33.95 3m3y s LYS 99 CO 0.51 -0.40 1.20 -2.14 -0.76 0.00 0.00 175.35 173.76 3m3y s PRO 100 N -4.73 2.57 0.25 -1.68 0.02 -1.26 -4.53 135.00 125.65 3m3y s PRO 100 Ca 0.54 1.75 -0.21 0.00 0.02 0.00 0.00 61.00 63.11 3m3y s PRO 100 Cb -0.11 -1.89 0.06 0.00 0.02 0.00 0.00 34.50 32.58 3m3y s PRO 100 CO 0.45 -1.50 0.88 -1.64 -0.33 0.00 0.00 177.00 174.87 3m3y s MET 101 N -3.69 1.65 -0.02 5.54 -1.94 -1.07 -3.24 119.30 116.54 3m3y s MET 101 Ca 0.75 -1.00 -0.03 0.00 -1.71 0.00 0.00 55.69 53.70 3m3y s MET 101 Cb -0.29 0.50 0.00 0.00 2.01 0.00 0.00 34.83 37.06 3m3y s MET 101 CO 0.40 -0.77 0.07 0.14 -0.01 0.00 0.00 175.02 174.85 3m3y s VAL 102 N -2.84 0.01 -0.64 -6.03 -7.23 -1.15 -4.68 120.40 97.85 3m3y s VAL 102 Ca 0.15 -0.10 -0.18 0.00 -1.81 0.00 0.00 61.98 60.05 3m3y s VAL 102 Cb -0.04 -0.13 0.12 0.00 0.56 0.00 0.00 36.38 36.89 3m3y s VAL 102 CO 0.07 -0.05 0.71 0.20 -0.31 0.00 0.00 175.10 175.72 3m3y s ASN 103 N -0.14 6.28 -0.27 4.85 0.01 -1.26 -3.15 114.94 121.27 3m3y s ASN 103 Ca -0.02 -1.67 -0.29 0.00 -0.71 0.00 0.00 52.86 50.17 3m3y s ASN 103 Cb -0.01 -2.29 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 3m3y s ASN 103 CO 0.00 -1.02 1.70 -1.61 -1.51 0.00 0.00 177.10 174.67 3m3y s GLU 104 N 2.25 3.58 -0.31 -0.60 0.41 -0.81 -4.86 118.70 118.37 3m3y s GLU 104 Ca 0.12 1.55 -0.42 0.00 -0.41 0.00 0.00 54.97 55.82 3m3y s GLU 104 Cb -0.22 -4.11 -0.17 0.00 -1.78 0.00 0.00 34.13 27.84 3m3y s GLU 104 CO 0.03 -1.55 1.63 -1.13 -0.49 0.00 0.00 175.26 173.75 3m3y n SER 105 N 9.29 1.83 -2.81 -0.19 3.41 -1.17 -1.69 113.62 122.30 3m3y n SER 105 Ca 0.21 1.12 -0.07 0.00 -0.26 0.00 0.00 58.87 59.87 3m3y n SER 105 Cb 0.46 -1.05 0.01 0.00 -0.26 0.00 0.00 64.21 63.37 3m3y n SER 105 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3m3y n ASP 106 N 4.52 -7.84 0.00 4.04 2.03 -1.26 -4.80 116.55 113.24 3m3y n ASP 106 Ca 0.27 0.61 0.00 0.00 0.52 0.00 0.00 54.79 56.19 3m3y n ASP 106 Cb 0.07 -5.30 0.00 0.00 -0.72 0.00 0.00 41.12 35.17 3m3y n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3m3y n GLY 107 N -0.21 0.35 3.91 0.27 0.00 -0.68 -5.15 105.19 103.69 3m3y n GLY 107 Ca 0.11 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 3m3y n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m3y s VAL 108 N -2.61 1.98 -0.12 1.61 1.01 -1.26 -4.48 120.40 116.53 3m3y s VAL 108 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3m3y s VAL 108 Cb 0.00 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 3m3y s VAL 108 CO 0.00 0.00 -0.17 0.28 0.00 0.00 0.00 175.10 175.21 3m3y s THR 109 N -3.84 2.64 0.23 3.92 -1.32 -1.26 -1.93 115.64 114.09 3m3y s THR 109 Ca 0.74 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 3m3y s THR 109 Cb -0.04 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.83 3m3y s THR 109 CO 0.53 0.54 0.13 -1.38 -2.21 0.00 0.00 174.62 172.23 3m3y s HIS 110 N 0.38 1.33 0.28 9.09 -3.43 -1.19 -4.98 115.29 116.77 3m3y s HIS 110 Ca -0.14 -1.34 -0.30 0.00 -0.80 0.00 0.00 55.06 52.48 3m3y s HIS 110 Cb -0.17 -0.69 -0.12 0.00 -1.43 0.00 0.00 32.58 30.17 3m3y s HIS 110 CO 0.07 -0.56 1.51 0.00 -2.00 0.00 0.00 174.74 173.76 3m3y n ALA 111 N -0.37 1.99 -3.70 -1.38 0.00 -1.26 -2.91 120.51 112.87 3m3y n ALA 111 Ca 0.02 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.49 3m3y n ALA 111 Cb 0.66 -2.39 -0.13 0.00 0.00 0.00 0.00 19.45 17.59 3m3y n ALA 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3m3y s LEU 112 N -0.33 4.17 0.43 0.00 2.96 -1.20 -4.86 118.68 119.85 3m3y s LEU 112 Ca 0.65 -1.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.01 3m3y s LEU 112 Cb -0.55 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 3m3y s LEU 112 CO 0.50 -0.32 0.76 -0.31 -1.32 0.00 0.00 176.35 175.67 3m3y s TYR 113 N 1.21 3.51 0.27 5.38 1.51 -1.26 -4.68 117.35 123.29 3m3y s TYR 113 Ca -0.02 0.94 -0.04 0.00 -1.01 0.00 0.00 57.07 56.94 3m3y s TYR 113 Cb -0.20 -2.37 0.36 0.00 -0.11 0.00 0.00 41.96 39.63 3m3y s TYR 113 CO -0.02 -0.16 1.92 -1.35 -1.11 0.00 0.00 175.55 174.83 3m3y h PRO 114 N 0.89 1.14 -0.30 -1.71 0.11 -1.99 -2.51 132.00 127.61 3m3y h PRO 114 Ca -0.47 -0.10 0.07 0.00 0.11 0.00 0.00 66.00 65.61 3m3y h PRO 114 Cb 1.19 -0.24 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 3m3y h PRO 114 CO 0.63 0.79 -0.20 0.37 -0.21 0.00 0.00 178.00 179.39 3m3y h GLN 115 N 1.15 -0.17 -0.96 1.05 5.75 -1.88 0.08 115.11 120.13 3m3y h GLN 115 Ca 0.30 0.01 0.16 0.00 -0.15 0.00 0.00 58.65 58.97 3m3y h GLN 115 Cb -0.05 0.04 -0.09 0.00 1.07 0.00 0.00 27.48 28.45 3m3y h GLN 115 CO -0.06 -0.11 0.61 1.49 -2.65 0.00 0.00 178.83 178.11 3m3y h GLU 116 N -0.17 0.73 -0.19 1.69 4.81 -1.83 -2.00 114.58 117.62 3m3y h GLU 116 Ca 0.16 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3m3y h GLU 116 Cb 0.41 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 3m3y h GLU 116 CO -0.40 0.48 -0.26 0.00 -0.73 0.00 0.00 179.01 178.11 3m3y h ALA 117 N 1.60 0.28 -0.32 2.92 0.00 -0.63 0.19 119.26 123.31 3m3y h ALA 117 Ca 0.51 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m3y h ALA 117 Cb 0.79 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3m3y h ALA 117 CO -0.27 0.26 0.22 0.00 0.00 0.00 0.00 179.25 179.45 3m3y h ARG 118 N 0.16 0.43 -0.04 0.00 3.08 -1.00 -0.79 114.38 116.21 3m3y h ARG 118 Ca 0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3m3y h ARG 118 Cb 0.83 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 3m3y h ARG 118 CO 0.06 0.28 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.14 3m3y h LEU 119 N 0.44 0.10 -0.93 3.04 3.38 -1.21 -3.28 115.31 116.85 3m3y h LEU 119 Ca 0.12 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3m3y h LEU 119 Cb -0.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3m3y h LEU 119 CO -0.03 0.56 0.00 0.54 0.09 0.00 0.00 178.44 179.60 3m3y n ARG 120 N -4.78 1.01 -4.15 1.13 1.74 0.04 -4.86 116.66 106.79 3m3y n ARG 120 Ca -0.08 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.60 3m3y n ARG 120 Cb 0.28 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 3m3y n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3m3y n ASN 121 N -0.04 -2.01 -3.59 0.55 5.03 -1.16 -4.51 115.26 109.53 3m3y n ASN 121 Ca 0.00 -1.27 -0.15 0.00 0.87 0.00 0.00 54.58 54.03 3m3y n ASN 121 Cb 0.23 -1.76 -0.00 0.00 -1.02 0.00 0.00 39.78 37.23 3m3y n ASN 121 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3m3y n LEU 122 N -4.83 0.00 -3.99 3.41 4.77 -0.31 -4.05 117.00 112.00 3m3y n LEU 122 Ca -0.20 -1.63 -0.31 0.00 -0.03 0.00 0.00 56.01 53.84 3m3y n LEU 122 Cb 0.62 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.55 3m3y n LEU 122 CO 0.78 -0.43 -0.44 -0.89 -1.33 0.00 0.00 177.39 175.08 3m3y s THR 123 N -1.57 1.70 -0.69 -5.08 2.01 -1.26 -0.49 115.64 110.26 3m3y s THR 123 Ca 0.16 -1.24 -0.26 0.00 0.31 0.00 0.00 61.69 60.66 3m3y s THR 123 Cb -0.01 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 3m3y s THR 123 CO 0.10 0.00 2.06 -0.47 -0.69 0.00 0.00 174.62 175.62 3m3y s TYR 124 N 1.33 1.52 -0.07 4.92 5.04 -0.73 -4.90 117.35 124.47 3m3y s TYR 124 Ca -0.05 1.04 -0.06 0.00 -2.44 0.00 0.00 57.07 55.56 3m3y s TYR 124 Cb -0.18 -3.90 0.02 0.00 0.35 0.00 0.00 41.96 38.25 3m3y s TYR 124 CO -0.07 -2.10 0.18 -1.54 -1.34 0.00 0.00 175.55 170.68 3m3y s SER 125 N 9.21 -0.19 0.42 4.32 1.04 -1.26 -1.33 113.70 125.91 3m3y s SER 125 Ca 0.77 0.36 -0.02 0.00 0.48 0.00 0.00 55.95 57.54 3m3y s SER 125 Cb -0.12 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 3m3y s SER 125 CO 0.14 -0.07 0.67 -0.44 0.98 0.00 0.00 173.24 174.52 3m3y s SER 126 N 0.19 6.21 -0.08 7.02 0.01 -0.44 -2.58 113.70 124.02 3m3y s SER 126 Ca -0.01 0.64 -0.05 0.00 1.31 0.00 0.00 55.95 57.84 3m3y s SER 126 Cb -0.02 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 3m3y s SER 126 CO -0.00 -0.48 0.15 -0.83 0.41 0.00 0.00 173.24 172.48 3m3y s GLY 127 N -4.09 2.15 0.02 3.44 0.00 -1.26 -0.76 107.32 106.81 3m3y s GLY 127 Ca 0.44 -0.69 -0.20 0.00 0.00 0.00 0.00 44.72 44.27 3m3y s GLY 127 CO 0.40 -0.49 0.59 1.08 0.00 0.00 0.00 173.10 174.69 3m3y s LEU 128 N -1.35 4.45 -0.01 0.66 2.01 -0.12 -2.58 118.68 121.75 3m3y s LEU 128 Ca 0.19 1.20 0.02 0.00 0.01 0.00 0.00 54.13 55.55 3m3y s LEU 128 Cb -0.12 -2.92 -0.00 0.00 0.01 0.00 0.00 46.19 43.16 3m3y s LEU 128 CO 0.09 0.15 -0.06 -0.36 1.01 0.00 0.00 176.35 177.19 3m3y s PHE 129 N -0.47 0.53 0.04 0.29 0.40 0.97 -2.38 117.98 117.36 3m3y s PHE 129 Ca 0.30 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.56 3m3y s PHE 129 Cb -0.19 -0.36 -0.02 0.00 0.51 0.00 0.00 43.02 42.96 3m3y s PHE 129 CO 0.18 -0.03 -0.10 0.08 0.70 0.00 0.00 175.22 176.05 3m3y s VAL 130 N -0.02 0.74 0.10 -0.44 1.01 -0.03 0.17 120.40 121.94 3m3y s VAL 130 Ca 0.01 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 3m3y s VAL 130 Cb -0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 36.38 35.54 3m3y s VAL 130 CO -0.00 -0.19 0.75 -1.81 0.00 0.00 0.00 175.10 173.85 3m3y s ASP 131 N -1.27 7.28 -0.21 3.32 -0.00 -1.14 -1.85 116.67 122.80 3m3y s ASP 131 Ca -0.04 1.52 -0.00 0.00 -0.00 0.00 0.00 52.55 54.02 3m3y s ASP 131 Cb -0.08 -2.47 0.06 0.00 -0.00 0.00 0.00 42.92 40.42 3m3y s ASP 131 CO 0.01 0.13 -0.03 -0.69 -0.00 0.00 0.00 175.17 174.59 3m3y s VAL 132 N -0.67 1.21 0.38 -1.27 1.01 -1.26 -2.12 120.40 117.69 3m3y s VAL 132 Ca 0.36 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 3m3y s VAL 132 Cb -0.22 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 3m3y s VAL 132 CO 0.24 -0.07 0.71 -0.54 0.00 0.00 0.00 175.10 175.44 3m3y s LYS 133 N 1.55 3.69 -0.08 2.72 1.02 -0.97 -4.92 119.74 122.76 3m3y s LYS 133 Ca -0.03 0.28 0.12 0.00 0.02 0.00 0.00 55.97 56.36 3m3y s LYS 133 Cb -0.18 -2.47 0.50 0.00 -0.52 0.00 0.00 37.83 35.17 3m3y s LYS 133 CO -0.07 0.01 1.36 0.36 -0.92 0.00 0.00 175.35 176.09 3m3y n LYS 134 N -1.36 2.95 0.00 1.68 0.00 -1.26 -1.85 118.16 118.32 3m3y n LYS 134 Ca 0.01 -1.98 0.00 0.00 -0.00 0.00 0.00 58.31 56.34 3m3y n LYS 134 Cb 0.54 -1.72 0.00 0.00 -0.00 0.00 0.00 35.03 33.85 3m3y n LYS 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3m3y n LYS 164 N 0.68 0.00 -3.77 -1.58 4.76 -1.26 -4.62 118.16 112.37 3m3y n LYS 164 Ca 0.18 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 3m3y n LYS 164 Cb 0.67 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.74 3m3y n LYS 164 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3m3y s VAL 165 N -0.22 -0.01 -0.28 -0.18 0.11 -0.77 -4.96 120.40 114.08 3m3y s VAL 165 Ca 0.00 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.95 3m3y s VAL 165 Cb 0.00 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 3m3y s VAL 165 CO 0.00 0.02 0.38 0.12 -3.33 0.00 0.00 175.10 172.30 3m3y s PHE 166 N 0.51 3.24 0.24 1.54 5.36 -1.26 -0.85 117.98 126.76 3m3y s PHE 166 Ca -0.03 0.35 0.04 0.00 -0.96 0.00 0.00 56.93 56.33 3m3y s PHE 166 Cb -0.05 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.99 3m3y s PHE 166 CO -0.03 -0.27 0.38 0.42 -1.46 0.00 0.00 175.22 174.26 3m3y s ILE 167 N 2.09 5.24 0.00 3.12 -1.09 -1.00 -4.73 121.20 124.84 3m3y s ILE 167 Ca 0.15 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 3m3y s ILE 167 Cb -0.16 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 3m3y s ILE 167 CO 0.10 -0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.09 3m3y n GLY 168 N -1.35 0.00 3.66 6.18 0.00 -1.23 -3.05 105.19 109.40 3m3y n GLY 168 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3m3y n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m3y s ARG 169 N 0.00 3.25 -0.26 1.61 0.52 -1.26 -0.94 118.95 121.87 3m3y s ARG 169 Ca 0.00 -0.40 -0.12 0.00 -0.52 0.00 0.00 55.73 54.69 3m3y s ARG 169 Cb 0.00 -2.89 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 3m3y s ARG 169 CO 0.00 0.57 0.22 -1.17 0.02 0.00 0.00 175.30 174.94 3m3y s LEU 170 N -0.52 4.06 0.66 2.53 2.96 0.06 -4.37 118.68 124.06 3m3y s LEU 170 Ca 0.09 0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.93 3m3y s LEU 170 Cb -0.12 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 3m3y s LEU 170 CO 0.02 -0.03 1.23 -2.65 -1.32 0.00 0.00 176.35 173.60 3m3y n PRO 171 N 4.80 0.98 -4.58 0.98 -0.02 -1.26 -1.33 135.00 134.57 3m3y n PRO 171 Ca -0.13 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.44 3m3y n PRO 171 Cb 0.52 -2.46 -0.17 0.00 -0.02 0.00 0.00 33.50 31.37 3m3y n PRO 171 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3m3y s ILE 172 N -1.48 1.68 0.20 4.25 -1.09 -0.45 -4.79 121.20 119.52 3m3y s ILE 172 Ca 0.81 -0.76 -0.31 0.00 -2.23 0.00 0.00 60.65 58.16 3m3y s ILE 172 Cb -0.38 -1.51 -0.10 0.00 -1.58 0.00 0.00 42.46 38.89 3m3y s ILE 172 CO 0.42 0.48 1.56 -0.32 -1.23 0.00 0.00 174.94 175.84 3m3y s MET 173 N 0.87 4.21 0.37 2.79 -2.45 -1.26 -4.51 119.30 119.32 3m3y s MET 173 Ca -0.08 2.39 -0.26 0.00 -1.25 0.00 0.00 55.69 56.49 3m3y s MET 173 Cb -0.15 -3.12 -0.09 0.00 1.25 0.00 0.00 34.83 32.71 3m3y s MET 173 CO -0.01 -0.58 1.13 -0.51 1.05 0.00 0.00 175.02 176.10 3m3y s LEU 174 N 0.63 4.26 0.00 4.11 1.02 -0.55 -2.33 118.68 125.82 3m3y s LEU 174 Ca 0.67 2.26 0.00 0.00 0.02 0.00 0.00 54.13 57.08 3m3y s LEU 174 Cb -0.44 -3.98 0.00 0.00 0.02 0.00 0.00 46.19 41.79 3m3y s LEU 174 CO 0.36 -0.52 0.00 -1.14 0.02 0.00 0.00 176.35 175.07 3m3y n ARG 175 N 0.28 -0.22 -1.59 1.70 3.00 -1.26 -2.25 116.66 116.31 3m3y n ARG 175 Ca 0.03 0.06 -0.30 0.00 -0.00 0.00 0.00 57.85 57.64 3m3y n ARG 175 Cb 0.47 -3.22 0.20 0.00 0.00 0.00 0.00 32.46 29.91 3m3y n ARG 175 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3m3y s SER 176 N -2.41 2.29 0.25 6.15 0.15 -0.98 -4.54 113.70 114.61 3m3y s SER 176 Ca 0.00 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.12 3m3y s SER 176 Cb 0.00 -0.58 0.32 0.00 -1.71 0.00 0.00 66.02 64.05 3m3y s SER 176 CO 0.00 -3.26 1.62 0.11 1.20 0.00 0.00 173.24 172.91 3m3y h LYS 177 N -2.00 0.34 0.00 5.44 1.57 -1.94 -2.81 116.57 117.17 3m3y h LYS 177 Ca -0.45 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 3m3y h LYS 177 Cb 1.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3m3y h LYS 177 CO 0.38 0.74 -0.57 0.09 -0.57 0.00 0.00 179.45 179.51 3m3y n ASN 178 N -3.98 0.59 -4.76 0.86 4.13 -1.26 -4.88 115.26 105.95 3m3y n ASN 178 Ca -0.02 -0.03 -0.39 0.00 1.68 0.00 0.00 54.58 55.82 3m3y n ASN 178 Cb 0.53 0.21 -0.06 0.00 -1.54 0.00 0.00 39.78 38.92 3m3y n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m3y h TYR 180 N 4.03 0.86 0.00 0.00 -1.99 -1.90 -2.60 116.97 115.37 3m3y h TYR 180 Ca -0.46 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.31 3m3y h TYR 180 Cb 1.20 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.69 3m3y h TYR 180 CO 0.62 0.16 0.00 1.28 -0.00 0.00 0.00 178.16 180.22 3m3y n LEU 181 N -4.87 0.00 -0.04 3.88 4.77 -1.26 -3.24 117.00 116.25 3m3y n LEU 181 Ca 0.20 0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 56.49 3m3y n LEU 181 Cb 0.53 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 3m3y n LEU 181 CO 0.20 -0.11 0.74 0.77 -1.33 0.00 0.00 177.39 177.66 3m3y h SER 182 N 0.00 0.21 0.70 -1.43 4.64 -1.63 -2.80 113.55 113.24 3m3y h SER 182 Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3m3y h SER 182 Cb 0.32 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3m3y h SER 182 CO 0.00 0.47 0.00 -0.33 -0.87 0.00 0.00 176.83 176.10 3m3y h GLU 183 N -0.05 0.00 -6.51 4.77 3.07 -1.76 -3.47 114.58 110.62 3m3y h GLU 183 Ca 0.04 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.37 3m3y h GLU 183 Cb 0.36 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 3m3y h GLU 183 CO 0.01 0.00 0.22 0.00 -1.40 0.00 0.00 179.01 177.84 3m3y s ALA 184 N -3.37 3.39 0.52 3.43 0.00 -1.06 -5.06 121.76 119.61 3m3y s ALA 184 Ca 0.03 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.29 3m3y s ALA 184 Cb 0.09 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 3m3y s ALA 184 CO 0.39 0.20 0.90 0.95 0.00 0.00 0.00 175.76 178.20 3m3y s THR 185 N -0.80 4.75 0.24 0.00 -4.23 -1.26 -4.85 115.64 109.49 3m3y s THR 185 Ca 0.38 0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 61.53 3m3y s THR 185 Cb -0.23 -3.81 0.21 0.00 1.34 0.00 0.00 72.50 70.01 3m3y s THR 185 CO 0.27 -0.85 1.87 -0.08 -0.54 0.00 0.00 174.62 175.28 3m3y h GLU 186 N 0.38 1.01 -0.42 3.99 4.81 -2.00 0.11 114.58 122.47 3m3y h GLU 186 Ca -0.46 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.77 3m3y h GLU 186 Cb 1.19 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 3m3y h GLU 186 CO 0.62 0.67 0.11 1.03 -0.73 0.00 0.00 179.01 180.72 3m3y h SER 187 N 1.04 0.08 -0.72 1.04 0.87 -2.02 -2.22 113.55 111.62 3m3y h SER 187 Ca 0.35 0.06 0.14 0.00 -1.23 0.00 0.00 61.79 61.11 3m3y h SER 187 Cb 0.06 0.07 -0.10 0.00 -0.44 0.00 0.00 62.40 61.99 3m3y h SER 187 CO -0.13 0.08 0.23 0.44 -0.53 0.00 0.00 176.83 176.92 3m3y h ASP 188 N 0.26 0.16 -0.59 6.23 3.32 -1.17 -3.03 116.42 121.60 3m3y h ASP 188 Ca 0.20 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.38 3m3y h ASP 188 Cb 0.22 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3m3y h ASP 188 CO -0.24 0.05 0.38 -0.07 -1.72 0.00 0.00 179.24 177.64 3m3y h LEU 189 N 0.36 0.64 -0.37 1.55 3.38 -0.72 -1.19 115.31 118.95 3m3y h LEU 189 Ca 0.39 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.36 3m3y h LEU 189 Cb 0.61 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3m3y h LEU 189 CO -0.43 0.46 0.23 1.88 0.09 0.00 0.00 178.44 180.67 3m3y h TYR 190 N 0.76 0.44 -1.00 1.13 -1.99 -1.44 -1.47 116.97 113.40 3m3y h TYR 190 Ca 0.22 0.01 0.13 0.00 2.00 0.00 0.00 58.73 61.10 3m3y h TYR 190 Cb -0.05 -0.14 -0.09 0.00 2.00 0.00 0.00 36.73 38.45 3m3y h TYR 190 CO -0.04 0.27 0.63 -0.22 -0.00 0.00 0.00 178.16 178.79 3m3y h LYS 191 N 0.48 0.92 -0.16 4.88 3.64 -1.17 0.86 116.57 126.01 3m3y h LYS 191 Ca 0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3m3y h LYS 191 Cb -0.03 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3m3y h LYS 191 CO -0.05 0.61 0.00 1.28 -2.27 0.00 0.00 179.45 179.02 3m3y n LEU 192 N -4.64 1.17 -3.55 5.20 4.77 -0.56 -4.91 117.00 114.49 3m3y n LEU 192 Ca 0.20 -0.53 -0.21 0.00 -0.03 0.00 0.00 56.01 55.44 3m3y n LEU 192 Cb 0.40 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.46 3m3y n LEU 192 CO 0.26 0.26 0.17 0.29 -1.33 0.00 0.00 177.39 177.04 3m3y n LYS 193 N 0.04 -7.12 -3.85 3.23 5.02 0.29 -4.61 118.16 111.17 3m3y n LYS 193 Ca 0.13 0.82 -0.25 0.00 -2.02 0.00 0.00 58.31 56.98 3m3y n LYS 193 Cb 0.23 -5.82 -0.17 0.00 -0.02 0.00 0.00 35.03 29.24 3m3y n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3m3y s GLU 194 N -5.90 1.10 0.22 1.97 0.41 -0.84 -4.84 118.70 110.82 3m3y s GLU 194 Ca 0.30 -0.09 -0.32 0.00 -0.41 0.00 0.00 54.97 54.46 3m3y s GLU 194 Cb -0.14 -1.29 -0.13 0.00 -1.78 0.00 0.00 34.13 30.79 3m3y s GLU 194 CO 0.74 -0.28 1.49 0.00 -0.49 0.00 0.00 175.26 176.73 3m3y n PRO 196 N 2.53 1.50 0.00 0.00 -0.04 -1.26 -1.52 135.00 136.21 3m3y n PRO 196 Ca 0.13 -0.59 0.11 0.00 -0.04 0.00 0.00 63.50 63.11 3m3y n PRO 196 Cb 0.31 -1.29 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3m3y n PRO 196 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3m3y n PHE 197 N 0.01 0.00 -2.32 0.54 3.01 -1.26 -4.98 117.46 112.46 3m3y n PHE 197 Ca 0.05 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.12 3m3y n PHE 197 Cb 0.23 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 3m3y n PHE 197 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3m3y s ASP 198 N -2.24 6.74 0.00 4.37 2.15 -0.58 -4.94 116.67 122.17 3m3y s ASP 198 Ca 0.21 2.37 0.09 0.00 0.43 0.00 0.00 52.55 55.65 3m3y s ASP 198 Cb 0.18 -2.62 -0.09 0.00 -0.30 0.00 0.00 42.92 40.09 3m3y s ASP 198 CO 0.46 -0.53 0.42 1.15 -0.17 0.00 0.00 175.17 176.50 3m3y n MET 199 N 0.42 3.75 -0.12 4.34 0.00 -1.26 -5.03 117.12 119.22 3m3y n MET 199 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 57.70 57.68 3m3y n MET 199 Cb 0.46 -0.95 -0.00 0.00 0.00 0.00 0.00 33.22 32.72 3m3y n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3m3y n GLY 200 N 1.18 -1.82 0.00 3.17 0.00 -1.26 -4.84 105.19 101.62 3m3y n GLY 200 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3m3y n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m3y n GLY 201 N -0.50 0.74 3.29 -0.02 0.00 -0.95 -4.97 105.19 102.78 3m3y n GLY 201 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3m3y n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3m3y s TYR 202 N -2.00 1.44 0.52 1.61 -0.85 -1.26 -4.64 117.35 112.17 3m3y s TYR 202 Ca 0.00 -0.77 0.09 0.00 -0.52 0.00 0.00 57.07 55.86 3m3y s TYR 202 Cb 0.00 -0.76 0.05 0.00 0.38 0.00 0.00 41.96 41.64 3m3y s TYR 202 CO 0.00 0.10 0.67 -0.06 -1.52 0.00 0.00 175.55 174.74 3m3y s PHE 203 N -3.29 1.92 -0.21 -3.49 0.40 0.11 -1.49 117.98 111.93 3m3y s PHE 203 Ca 0.21 -0.62 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 3m3y s PHE 203 Cb 0.03 -2.23 0.06 0.00 0.51 0.00 0.00 43.02 41.39 3m3y s PHE 203 CO 0.04 -0.82 0.02 0.42 0.70 0.00 0.00 175.22 175.58 3m3y s ILE 204 N -2.57 0.79 -0.27 0.64 1.01 -1.26 -0.99 121.20 118.54 3m3y s ILE 204 Ca 0.57 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.48 3m3y s ILE 204 Cb -0.07 -1.25 0.06 0.00 0.01 0.00 0.00 42.46 41.22 3m3y s ILE 204 CO 0.35 -0.20 -0.08 -0.63 0.00 0.00 0.00 174.94 174.37 3m3y s ILE 205 N 1.73 2.26 -1.32 2.92 -1.09 0.18 -1.77 121.20 124.12 3m3y s ILE 205 Ca -0.02 -1.69 -0.00 0.00 -2.23 0.00 0.00 60.65 56.71 3m3y s ILE 205 Cb -0.18 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 3m3y s ILE 205 CO -0.08 -0.09 0.70 0.59 -1.23 0.00 0.00 174.94 174.82 3m3y n ASN 206 N 4.43 -1.24 0.00 3.58 3.02 -0.59 -1.92 115.26 122.54 3m3y n ASN 206 Ca -0.12 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3m3y n ASN 206 Cb 0.42 -4.02 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 3m3y n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m3y n GLY 207 N -1.59 2.76 3.83 7.41 0.00 0.36 -4.57 105.19 113.39 3m3y n GLY 207 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3m3y n GLY 207 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m3y s SER 208 N 0.04 6.88 -0.22 1.61 0.15 -0.81 -4.58 113.70 116.77 3m3y s SER 208 Ca 0.00 1.05 -0.18 0.00 0.70 0.00 0.00 55.95 57.52 3m3y s SER 208 Cb 0.00 -2.28 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 3m3y s SER 208 CO 0.00 0.30 0.52 -1.61 1.20 0.00 0.00 173.24 173.65 3m3y s GLU 209 N -1.14 4.15 0.05 5.44 2.02 -1.26 0.50 118.70 128.45 3m3y s GLU 209 Ca 0.26 0.38 0.04 0.00 0.02 0.00 0.00 54.97 55.67 3m3y s GLU 209 Cb -0.17 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.43 3m3y s GLU 209 CO 0.15 -0.22 -0.04 0.15 0.02 0.00 0.00 175.26 175.33 3m3y s LYS 210 N 1.87 2.52 -0.19 1.61 -0.14 -0.17 -1.16 119.74 124.09 3m3y s LYS 210 Ca 0.23 -0.79 -0.03 0.00 -1.36 0.00 0.00 55.97 54.02 3m3y s LYS 210 Cb -0.15 -2.51 -0.01 0.00 -1.68 0.00 0.00 37.83 33.47 3m3y s LYS 210 CO 0.09 0.57 -0.06 0.08 -0.76 0.00 0.00 175.35 175.27 3m3y s VAL 211 N -1.16 3.41 0.22 3.17 1.01 -0.41 0.06 120.40 126.71 3m3y s VAL 211 Ca 0.21 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3m3y s VAL 211 Cb -0.11 -2.52 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 3m3y s VAL 211 CO 0.13 0.46 1.20 -0.76 0.00 0.00 0.00 175.10 176.12 3m3y s LEU 212 N 1.04 4.47 -0.24 3.92 1.43 -1.26 -2.06 118.68 125.97 3m3y s LEU 212 Ca 0.00 2.30 -0.08 0.00 -1.03 0.00 0.00 54.13 55.32 3m3y s LEU 212 Cb -0.15 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 3m3y s LEU 212 CO -0.00 -0.35 0.09 -0.63 0.23 0.00 0.00 176.35 175.69 3m3y s ILE 213 N -0.37 4.61 -0.12 -0.59 -1.09 -1.26 -4.75 121.20 117.63 3m3y s ILE 213 Ca 0.51 -0.08 -0.38 0.00 -2.23 0.00 0.00 60.65 58.47 3m3y s ILE 213 Cb -0.33 -3.14 -0.16 0.00 -1.58 0.00 0.00 42.46 37.24 3m3y s ILE 213 CO 0.39 0.35 1.59 0.00 -1.23 0.00 0.00 174.94 176.04 3m3y n ALA 214 N 4.64 -0.44 -2.96 9.38 0.00 -1.16 -4.65 120.51 125.32 3m3y n ALA 214 Ca -0.16 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 3m3y n ALA 214 Cb 0.52 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.66 3m3y n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3m3y s GLN 215 N 2.29 3.60 -0.00 0.00 -1.52 -0.35 -0.65 119.66 123.02 3m3y s GLN 215 Ca 0.92 -0.54 -0.18 0.00 -1.95 0.00 0.00 55.36 53.60 3m3y s GLN 215 Cb -1.00 -2.86 -0.06 0.00 -0.22 0.00 0.00 33.01 28.87 3m3y s GLN 215 CO 0.57 0.25 0.52 -2.00 -0.25 0.00 0.00 175.29 174.38 3m3y s GLU 216 N 0.32 4.19 0.30 2.91 2.12 0.07 -0.21 118.70 128.40 3m3y s GLU 216 Ca -0.05 0.60 -0.07 0.00 0.36 0.00 0.00 54.97 55.81 3m3y s GLU 216 Cb -0.14 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3m3y s GLU 216 CO 0.03 0.48 0.48 -0.98 -0.54 0.00 0.00 175.26 174.73 3m3y s ARG 217 N -0.49 1.75 0.49 4.30 1.70 -0.59 -4.53 118.95 121.59 3m3y s ARG 217 Ca 0.28 -1.53 -0.09 0.00 -0.47 0.00 0.00 55.73 53.91 3m3y s ARG 217 Cb -0.18 0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 3m3y s ARG 217 CO 0.15 -0.73 0.86 -1.12 -1.08 0.00 0.00 175.30 173.38 3m3y s SER 218 N -3.13 6.38 0.63 -2.89 0.01 -1.26 -1.43 113.70 112.00 3m3y s SER 218 Ca 0.27 1.18 -0.17 0.00 1.31 0.00 0.00 55.95 58.54 3m3y s SER 218 Cb -0.00 -2.35 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 3m3y s SER 218 CO 0.15 -0.59 1.15 0.00 0.41 0.00 0.00 173.24 174.36 3m3y s ALA 219 N -2.72 2.48 0.55 1.44 0.00 -0.84 -4.63 121.76 118.05 3m3y s ALA 219 Ca 0.52 0.77 0.02 0.00 0.00 0.00 0.00 51.96 53.27 3m3y s ALA 219 Cb -0.10 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.67 3m3y s ALA 219 CO 0.41 -1.22 0.77 0.20 0.00 0.00 0.00 175.76 175.92 3m3y s GLY 220 N -2.07 1.83 -1.58 0.00 0.00 -1.26 -4.61 107.32 99.62 3m3y s GLY 220 Ca 0.72 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 3m3y s GLY 220 CO 0.37 -1.10 0.25 0.70 0.00 0.00 0.00 173.10 173.31 3m3y n ASN 221 N -2.33 -5.72 -4.06 1.64 3.02 0.41 -4.87 115.26 103.35 3m3y n ASN 221 Ca 0.09 -0.13 -0.22 0.00 -0.03 0.00 0.00 54.58 54.29 3m3y n ASN 221 Cb 0.60 -4.66 -0.16 0.00 -0.61 0.00 0.00 39.78 34.95 3m3y n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3m3y s ILE 222 N -3.05 1.03 -0.25 2.41 1.01 -1.26 -4.15 121.20 116.94 3m3y s ILE 222 Ca 0.12 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 3m3y s ILE 222 Cb -0.05 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3m3y s ILE 222 CO 0.15 0.31 0.28 -0.69 0.00 0.00 0.00 174.94 174.98 3m3y s VAL 223 N 0.08 5.26 -0.03 2.92 1.01 -1.26 -4.33 120.40 124.05 3m3y s VAL 223 Ca -0.02 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.39 3m3y s VAL 223 Cb -0.09 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 3m3y s VAL 223 CO 0.01 0.25 -0.16 -1.10 0.00 0.00 0.00 175.10 174.10 3m3y s GLN 224 N 1.58 1.57 -0.10 2.72 -0.21 -0.86 -4.96 119.66 119.40 3m3y s GLN 224 Ca 0.12 -0.56 -0.05 0.00 0.02 0.00 0.00 55.36 54.89 3m3y s GLN 224 Cb -0.15 -1.40 -0.04 0.00 1.00 0.00 0.00 33.01 32.42 3m3y s GLN 224 CO 0.08 0.25 0.11 0.08 -2.12 0.00 0.00 175.29 173.69 3m3y s VAL 225 N -0.03 5.18 -0.10 1.09 1.01 -1.26 -0.97 120.40 125.31 3m3y s VAL 225 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3m3y s VAL 225 Cb -0.10 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.06 3m3y s VAL 225 CO 0.01 0.58 0.04 -0.36 0.00 0.00 0.00 175.10 175.37 3m3y s PHE 226 N -1.03 0.50 0.57 5.22 2.99 -0.26 -0.77 117.98 125.20 3m3y s PHE 226 Ca 0.16 -0.21 -0.21 0.00 0.00 0.00 0.00 56.93 56.67 3m3y s PHE 226 Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 43.02 42.12 3m3y s PHE 226 CO 0.05 -0.38 1.35 0.15 -0.00 0.00 0.00 175.22 176.40 3m3y s LYS 227 N 2.03 2.97 -0.08 0.44 1.02 -1.26 -2.25 119.74 122.61 3m3y s LYS 227 Ca 0.03 2.22 0.01 0.00 0.02 0.00 0.00 55.97 58.26 3m3y s LYS 227 Cb -0.14 -2.16 0.02 0.00 -0.52 0.00 0.00 37.83 35.04 3m3y s LYS 227 CO -0.06 -1.32 -0.11 0.15 -0.92 0.00 0.00 175.35 173.10 3m3y s LYS 228 N -3.03 1.63 0.00 1.68 1.02 -0.62 -4.93 119.74 115.51 3m3y s LYS 228 Ca 0.75 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 56.38 3m3y s LYS 228 Cb -0.40 -1.46 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 3m3y s LYS 228 CO 0.47 -0.08 0.00 0.00 -0.92 0.00 0.00 175.35 174.82 3m3y n ALA 229 N 4.21 0.00 -1.78 5.17 0.00 -1.26 -4.69 120.51 122.15 3m3y n ALA 229 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3m3y n ALA 229 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3m3y n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m3y n ALA 230 N 0.85 0.00 -0.29 0.00 0.00 -1.26 -4.83 120.51 114.99 3m3y n ALA 230 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3m3y n ALA 230 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 3m3y n ALA 230 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3m3y n PRO 231 N 0.00 2.30 -4.34 0.00 -0.02 -1.26 -4.98 135.00 126.71 3m3y n PRO 231 Ca 0.00 -1.87 -0.29 0.00 -2.02 0.00 0.00 63.50 59.33 3m3y n PRO 231 Cb 0.20 -1.80 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 3m3y n PRO 231 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3m3y s SER 232 N -0.42 3.69 -0.13 2.55 0.15 -1.26 -5.07 113.70 113.20 3m3y s SER 232 Ca 0.34 -0.65 -0.22 0.00 0.70 0.00 0.00 55.95 56.12 3m3y s SER 232 Cb 0.28 -0.43 -0.25 0.00 -1.71 0.00 0.00 66.02 63.91 3m3y s SER 232 CO 0.08 0.17 0.59 1.55 1.20 0.00 0.00 173.24 176.83 3m3y h PRO 233 N 3.67 0.11 -6.09 5.44 0.13 -1.94 -3.45 132.00 129.87 3m3y h PRO 233 Ca -0.50 -0.19 -0.50 0.00 -0.87 0.00 0.00 66.00 63.94 3m3y h PRO 233 Cb 1.18 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 3m3y h PRO 233 CO 0.45 1.09 1.19 0.96 -0.23 0.00 0.00 178.00 181.46 3m3y s ILE 234 N -2.36 3.54 -0.10 -3.56 -4.36 -1.26 -1.39 121.20 111.72 3m3y s ILE 234 Ca -0.21 0.11 0.15 0.00 -0.26 0.00 0.00 60.65 60.45 3m3y s ILE 234 Cb 0.02 -4.39 -0.12 0.00 1.25 0.00 0.00 42.46 39.21 3m3y s ILE 234 CO 0.71 -1.34 0.93 0.77 0.24 0.00 0.00 174.94 176.25 3m3y h SER 235 N 12.34 0.00 -4.88 4.36 4.64 -1.72 -3.42 113.55 124.87 3m3y h SER 235 Ca -0.18 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.92 3m3y h SER 235 Cb 1.09 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.97 3m3y h SER 235 CO 1.26 0.66 -0.71 -1.00 -0.87 0.00 0.00 176.83 176.17 3m3y s HIS 236 N -2.86 0.47 -0.02 4.77 3.76 -1.25 -1.58 115.29 118.58 3m3y s HIS 236 Ca -0.02 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.35 3m3y s HIS 236 Cb 0.08 -0.30 0.01 0.00 1.11 0.00 0.00 32.58 33.49 3m3y s HIS 236 CO 0.80 -0.15 -0.01 0.08 -0.85 0.00 0.00 174.74 174.62 3m3y s VAL 237 N -1.56 0.17 -0.15 -0.90 1.01 -0.96 -1.77 120.40 116.24 3m3y s VAL 237 Ca -0.12 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 3m3y s VAL 237 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 3m3y s VAL 237 CO -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 175.10 175.08 3m3y s ALA 238 N 0.54 2.63 0.07 5.51 0.00 -0.07 -1.11 121.76 129.34 3m3y s ALA 238 Ca -0.05 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 50.95 3m3y s ALA 238 Cb -0.08 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 3m3y s ALA 238 CO -0.01 0.05 -0.09 -2.00 0.00 0.00 0.00 175.76 173.71 3m3y s GLU 239 N 0.68 0.70 -0.13 0.00 2.12 -0.14 -0.88 118.70 121.04 3m3y s GLU 239 Ca -0.06 -0.99 -0.04 0.00 0.36 0.00 0.00 54.97 54.23 3m3y s GLU 239 Cb -0.15 -0.38 0.07 0.00 0.26 0.00 0.00 34.13 33.92 3m3y s GLU 239 CO 0.02 0.06 0.23 -1.50 -0.54 0.00 0.00 175.26 173.53 3m3y s ILE 240 N -2.10 -0.36 -0.21 -3.70 2.07 -0.75 -2.03 121.20 114.12 3m3y s ILE 240 Ca -0.01 0.22 -0.29 0.00 -1.41 0.00 0.00 60.65 59.15 3m3y s ILE 240 Cb -0.05 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 42.07 3m3y s ILE 240 CO -0.01 0.06 1.26 -0.13 -1.91 0.00 0.00 174.94 174.22 3m3y s ARG 241 N 2.37 4.14 -0.55 3.50 0.52 -1.26 -2.17 118.95 125.50 3m3y s ARG 241 Ca 0.03 1.53 -0.15 0.00 -0.52 0.00 0.00 55.73 56.62 3m3y s ARG 241 Cb -0.13 -3.79 0.13 0.00 0.52 0.00 0.00 34.95 31.68 3m3y s ARG 241 CO -0.09 -0.82 0.50 -1.12 0.02 0.00 0.00 175.30 173.79 3m3y s SER 242 N 2.18 6.18 0.00 0.23 0.01 -1.24 0.16 113.70 121.23 3m3y s SER 242 Ca 0.55 -1.84 -0.05 0.00 1.31 0.00 0.00 55.95 55.92 3m3y s SER 242 Cb -0.20 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 3m3y s SER 242 CO 0.17 -0.84 0.24 0.00 0.41 0.00 0.00 173.24 173.22 3m3y s ALA 243 N 1.52 3.88 -0.26 1.44 0.00 -1.26 -3.41 121.76 123.68 3m3y s ALA 243 Ca 0.04 -0.64 0.10 0.00 0.00 0.00 0.00 51.96 51.46 3m3y s ALA 243 Cb -0.29 -2.00 -0.14 0.00 0.00 0.00 0.00 23.12 20.69 3m3y s ALA 243 CO 0.02 0.68 0.34 1.28 0.00 0.00 0.00 175.76 178.08 3m3y n LEU 244 N 1.04 0.25 -1.13 0.00 4.77 -1.26 -4.45 117.00 116.22 3m3y n LEU 244 Ca -0.11 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3m3y n LEU 244 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3m3y n LEU 244 CO 0.42 0.06 0.18 -1.84 -1.33 0.00 0.00 177.39 174.89 3m3y n GLU 245 N -1.55 0.00 -2.78 3.23 0.00 -1.26 -4.69 120.64 113.59 3m3y n GLU 245 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.94 3m3y n GLU 245 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 31.44 31.36 3m3y n GLU 245 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3m3y n LYS 246 N 1.08 2.45 0.00 3.44 2.85 -1.26 -5.11 118.16 121.61 3m3y n LYS 246 Ca 0.00 -4.14 0.00 0.00 -1.05 0.00 0.00 58.31 53.12 3m3y n LYS 246 Cb 0.09 -1.94 0.00 0.00 -0.65 0.00 0.00 35.03 32.54 3m3y n LYS 246 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3m3y n GLY 247 N -0.19 -1.80 7.00 2.58 0.00 -1.26 -5.05 105.19 106.47 3m3y n GLY 247 Ca 0.28 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3m3y n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m3y n SER 248 N 0.21 -2.92 -2.66 1.61 2.88 -1.26 -4.85 113.62 106.64 3m3y n SER 248 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 3m3y n SER 248 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 3m3y n SER 248 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3m3y n ARG 249 N 0.00 0.17 -2.13 -1.46 3.00 -1.26 -5.02 116.66 109.95 3m3y n ARG 249 Ca 0.00 -0.72 -0.42 0.00 -0.00 0.00 0.00 57.85 56.71 3m3y n ARG 249 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 32.46 32.33 3m3y n ARG 249 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3m3y n PHE 250 N 0.26 3.82 -2.80 -0.14 0.99 -1.26 -4.93 117.46 113.40 3m3y n PHE 250 Ca -0.11 -2.94 -0.43 0.00 -0.00 0.00 0.00 57.45 53.97 3m3y n PHE 250 Cb 0.73 -2.45 -0.02 0.00 -1.00 0.00 0.00 39.48 36.75 3m3y n PHE 250 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3m3y s ILE 251 N 2.85 4.52 -0.44 4.37 -1.09 -1.26 -4.73 121.20 125.43 3m3y s ILE 251 Ca 0.47 -1.62 -0.07 0.00 -2.23 0.00 0.00 60.65 57.19 3m3y s ILE 251 Cb 0.10 -4.92 0.10 0.00 -1.58 0.00 0.00 42.46 36.16 3m3y s ILE 251 CO -0.03 -1.69 0.28 -0.55 -1.23 0.00 0.00 174.94 171.72 3m3y s SER 252 N 3.87 5.55 0.56 3.58 0.15 -1.22 -4.85 113.70 121.35 3m3y s SER 252 Ca 0.40 -1.79 -0.13 0.00 0.70 0.00 0.00 55.95 55.13 3m3y s SER 252 Cb -0.02 -1.95 -0.06 0.00 -1.71 0.00 0.00 66.02 62.28 3m3y s SER 252 CO -0.06 -0.60 0.99 0.42 1.20 0.00 0.00 173.24 175.19 3m3y s THR 253 N 1.33 4.65 -0.03 6.45 -4.23 -1.26 -3.59 115.64 118.96 3m3y s THR 253 Ca 0.05 0.97 0.01 0.00 -1.18 0.00 0.00 61.69 61.54 3m3y s THR 253 Cb -0.24 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.81 3m3y s THR 253 CO -0.01 -0.92 -0.04 -0.22 -0.54 0.00 0.00 174.62 172.89 3m3y s LEU 254 N -4.65 1.55 -0.12 4.79 2.96 -0.92 -4.70 118.68 117.59 3m3y s LEU 254 Ca 0.56 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 3m3y s LEU 254 Cb -0.10 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.25 3m3y s LEU 254 CO 0.43 -0.02 -0.20 -1.10 -1.32 0.00 0.00 176.35 174.15 3m3y s GLN 255 N 0.54 2.69 -0.42 1.98 -0.21 -1.26 -1.81 119.66 121.16 3m3y s GLN 255 Ca -0.06 -0.74 -0.17 0.00 0.02 0.00 0.00 55.36 54.41 3m3y s GLN 255 Cb -0.10 -2.17 0.03 0.00 1.00 0.00 0.00 33.01 31.77 3m3y s GLN 255 CO -0.00 0.02 0.40 0.08 -2.12 0.00 0.00 175.29 173.67 3m3y s VAL 256 N 0.74 5.13 0.04 1.09 1.01 -0.06 -1.66 120.40 126.70 3m3y s VAL 256 Ca -0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 3m3y s VAL 256 Cb -0.16 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3m3y s VAL 256 CO 0.01 -0.41 0.18 -0.54 0.00 0.00 0.00 175.10 174.34 3m3y s LYS 257 N 2.00 3.35 -0.43 2.72 1.02 -0.09 -0.89 119.74 127.42 3m3y s LYS 257 Ca 0.10 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.67 3m3y s LYS 257 Cb -0.18 -3.01 0.12 0.00 -0.52 0.00 0.00 37.83 34.24 3m3y s LYS 257 CO 0.12 0.62 0.17 -1.17 -0.92 0.00 0.00 175.35 174.17 3m3y s LEU 258 N -2.33 4.74 0.54 3.17 2.96 -0.73 -2.04 118.68 124.99 3m3y s LEU 258 Ca 0.32 -2.47 -0.22 0.00 -0.22 0.00 0.00 54.13 51.54 3m3y s LEU 258 Cb -0.13 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3m3y s LEU 258 CO 0.25 -0.36 1.34 -1.22 -1.32 0.00 0.00 176.35 175.04 3m3y n TYR 259 N 3.88 2.25 -0.18 5.38 4.02 -1.07 -2.22 117.16 129.22 3m3y n TYR 259 Ca 0.04 0.44 0.00 0.00 -0.01 0.00 0.00 57.90 58.36 3m3y n TYR 259 Cb 0.38 -2.36 0.00 0.00 -0.02 0.00 0.00 39.34 37.34 3m3y n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m3y n GLY 260 N 0.77 -1.22 3.39 2.72 0.00 -0.48 -3.80 105.19 106.58 3m3y n GLY 260 Ca 0.10 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 3m3y n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m3y s ARG 261 N -3.51 -2.09 -0.10 1.61 1.81 -1.25 -4.78 118.95 110.64 3m3y s ARG 261 Ca 0.00 0.35 -0.30 0.00 -1.72 0.00 0.00 55.73 54.07 3m3y s ARG 261 Cb 0.00 -1.46 -0.03 0.00 -0.45 0.00 0.00 34.95 33.01 3m3y s ARG 261 CO 0.00 -4.37 1.30 -2.00 -0.68 0.00 0.00 175.30 169.54 3m3y s GLU 262 N -4.89 4.27 0.00 3.54 -6.30 -1.26 -2.64 118.70 111.42 3m3y s GLU 262 Ca 0.69 1.75 0.00 0.00 -2.50 0.00 0.00 54.97 54.91 3m3y s GLU 262 Cb -0.17 -3.69 0.00 0.00 0.00 0.00 0.00 34.13 30.26 3m3y s GLU 262 CO 0.60 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.67 3m3y n GLY 263 N 3.59 2.92 2.43 -1.50 0.00 -1.26 -4.93 105.19 106.44 3m3y n GLY 263 Ca 0.13 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 3m3y n GLY 263 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m3y n SER 264 N 1.90 3.65 -4.74 1.61 2.88 -1.08 -4.92 113.62 112.92 3m3y n SER 264 Ca 0.00 -2.15 -0.31 0.00 -1.33 0.00 0.00 58.87 55.08 3m3y n SER 264 Cb 0.00 -0.90 0.11 0.00 -0.75 0.00 0.00 64.21 62.68 3m3y n SER 264 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3m3y s SER 265 N 2.99 4.01 0.00 -3.46 1.04 -1.26 -3.90 113.70 113.12 3m3y s SER 265 Ca 0.36 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.51 3m3y s SER 265 Cb 0.13 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.86 3m3y s SER 265 CO -0.02 -2.33 0.00 0.00 0.98 0.00 0.00 173.24 171.87 3m3y n ALA 266 N -3.71 0.00 -2.83 5.32 0.00 -1.26 -5.07 120.51 112.97 3m3y n ALA 266 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 3m3y n ALA 266 Cb 0.54 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 3m3y n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3m3y s ARG 267 N -0.84 3.36 0.71 0.00 0.52 -1.26 -4.75 118.95 116.68 3m3y s ARG 267 Ca 0.00 -1.18 -0.09 0.00 -0.52 0.00 0.00 55.73 53.94 3m3y s ARG 267 Cb 0.00 -4.63 0.04 0.00 0.52 0.00 0.00 34.95 30.89 3m3y s ARG 267 CO 0.00 -1.87 1.05 -0.08 0.02 0.00 0.00 175.30 174.42 3m3y s THR 268 N 3.76 2.80 -0.09 0.02 -1.32 -1.25 -4.48 115.64 115.08 3m3y s THR 268 Ca 0.30 0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.83 3m3y s THR 268 Cb -0.10 -3.22 0.02 0.00 -1.51 0.00 0.00 72.50 67.70 3m3y s THR 268 CO 0.01 -0.26 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.42 3m3y s ILE 269 N -3.31 1.15 0.26 5.08 1.01 -1.26 -2.59 121.20 121.55 3m3y s ILE 269 Ca 0.59 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.91 3m3y s ILE 269 Cb -0.11 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 3m3y s ILE 269 CO 0.48 0.37 -0.15 -0.54 0.00 0.00 0.00 174.94 175.10 3m3y s LYS 270 N 1.17 1.56 0.10 2.79 1.02 -0.86 -2.59 119.74 122.93 3m3y s LYS 270 Ca -0.05 -1.73 0.05 0.00 0.02 0.00 0.00 55.97 54.27 3m3y s LYS 270 Cb -0.14 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 3m3y s LYS 270 CO -0.03 0.22 -0.14 0.00 -0.92 0.00 0.00 175.35 174.49 3m3y s ALA 271 N -2.75 1.36 -0.04 5.17 0.00 -0.49 -0.91 121.76 124.09 3m3y s ALA 271 Ca 0.28 -1.19 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 3m3y s ALA 271 Cb -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 3m3y s ALA 271 CO 0.12 0.11 0.35 0.95 0.00 0.00 0.00 175.76 177.30 3m3y s THR 272 N -1.87 5.14 -0.08 0.00 -4.23 -0.67 -2.20 115.64 111.73 3m3y s THR 272 Ca 0.05 0.71 0.04 0.00 -1.18 0.00 0.00 61.69 61.31 3m3y s THR 272 Cb -0.06 -3.65 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 3m3y s THR 272 CO 0.02 0.56 -0.21 -0.76 -0.54 0.00 0.00 174.62 173.69 3m3y s LEU 273 N -0.87 2.27 -0.48 4.79 1.43 -1.26 -4.34 118.68 120.21 3m3y s LEU 273 Ca 0.22 -0.45 -0.45 0.00 -1.03 0.00 0.00 54.13 52.41 3m3y s LEU 273 Cb -0.15 -1.45 -0.19 0.00 0.03 0.00 0.00 46.19 44.43 3m3y s LEU 273 CO 0.11 0.22 1.78 -2.65 0.23 0.00 0.00 176.35 176.04 3m3y n PRO 274 N 3.11 0.09 -3.88 1.29 -0.02 -1.26 0.02 135.00 134.34 3m3y n PRO 274 Ca -0.18 0.03 -0.25 0.00 -2.02 0.00 0.00 63.50 61.08 3m3y n PRO 274 Cb 0.52 -1.55 -0.06 0.00 -0.02 0.00 0.00 33.50 32.39 3m3y n PRO 274 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 3m3y n TYR 275 N 5.24 -0.95 -4.06 6.00 -0.00 -1.26 -4.95 117.16 117.18 3m3y n TYR 275 Ca 0.38 0.38 -0.34 0.00 -0.00 0.00 0.00 57.90 58.31 3m3y n TYR 275 Cb -0.04 -2.07 -0.14 0.00 -0.00 0.00 0.00 39.34 37.09 3m3y n TYR 275 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 3m3y s ILE 276 N -4.01 3.10 0.16 -3.48 1.01 0.10 -5.07 121.20 113.02 3m3y s ILE 276 Ca 0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 3m3y s ILE 276 Cb -0.04 -2.38 0.23 0.00 0.01 0.00 0.00 42.46 40.29 3m3y s ILE 276 CO 0.74 0.46 0.85 0.29 0.00 0.00 0.00 174.94 177.27 3m3y n LYS 277 N 4.59 -0.04 -2.27 2.79 5.02 -1.26 -4.59 118.16 122.39 3m3y n LYS 277 Ca -0.19 0.82 -0.03 0.00 -2.02 0.00 0.00 58.31 56.89 3m3y n LYS 277 Cb 0.51 -1.28 -0.01 0.00 -0.02 0.00 0.00 35.03 34.23 3m3y n LYS 277 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3m3y n GLN 278 N -4.72 1.41 -4.24 1.97 7.27 -1.26 -5.13 117.38 112.68 3m3y n GLN 278 Ca 0.12 -0.38 -0.34 0.00 0.07 0.00 0.00 57.00 56.47 3m3y n GLN 278 Cb 0.38 0.15 -0.11 0.00 2.41 0.00 0.00 30.24 33.07 3m3y n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3m3y s ASP 279 N -1.28 5.21 -0.16 1.69 1.01 -1.26 -4.52 116.67 117.35 3m3y s ASP 279 Ca 0.01 0.01 -0.11 0.00 0.71 0.00 0.00 52.55 53.17 3m3y s ASP 279 Cb 0.00 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 3m3y s ASP 279 CO 0.01 0.21 0.20 -0.63 0.21 0.00 0.00 175.17 175.17 3m3y s ILE 280 N 0.13 5.37 0.34 0.77 -1.09 -0.94 -4.83 121.20 120.96 3m3y s ILE 280 Ca 0.02 0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 58.50 3m3y s ILE 280 Cb -0.13 -3.53 -0.10 0.00 -1.58 0.00 0.00 42.46 37.12 3m3y s ILE 280 CO 0.02 0.46 1.36 -2.84 -1.23 0.00 0.00 174.94 172.71 3m3y s PRO 281 N 0.10 4.28 0.49 2.79 0.02 -1.26 -1.40 135.00 140.02 3m3y s PRO 281 Ca 0.13 2.32 0.23 0.00 0.02 0.00 0.00 61.00 63.69 3m3y s PRO 281 Cb -0.12 -3.04 1.29 0.00 0.02 0.00 0.00 34.50 32.65 3m3y s PRO 281 CO 0.02 -0.29 2.04 -0.84 -0.33 0.00 0.00 177.00 177.60 3m3y h ILE 282 N 3.03 0.78 -0.41 2.83 3.07 -1.84 -0.51 117.51 124.47 3m3y h ILE 282 Ca -0.49 -0.57 -0.03 0.00 1.55 0.00 0.00 64.86 65.32 3m3y h ILE 282 Cb 1.23 1.34 -0.02 0.00 -0.27 0.00 0.00 36.82 39.10 3m3y h ILE 282 CO 0.65 0.14 0.13 0.58 -1.05 0.00 0.00 178.15 178.60 3m3y h VAL 283 N 0.00 1.17 -0.54 0.16 2.07 -1.86 -0.88 116.25 116.37 3m3y h VAL 283 Ca -0.00 -0.57 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 3m3y h VAL 283 Cb 0.33 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3m3y h VAL 283 CO 0.02 0.21 -0.08 0.40 0.02 0.00 0.00 177.57 178.15 3m3y h ILE 284 N 0.58 1.27 -0.31 4.57 1.08 -1.42 -2.41 117.51 120.86 3m3y h ILE 284 Ca 0.14 -1.22 0.03 0.00 -0.39 0.00 0.00 64.86 63.42 3m3y h ILE 284 Cb 0.17 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 3m3y h ILE 284 CO -0.01 0.43 0.13 0.40 -0.69 0.00 0.00 178.15 178.41 3m3y h ILE 285 N 0.90 0.95 -0.14 -0.67 1.08 -1.20 -1.23 117.51 117.20 3m3y h ILE 285 Ca 0.15 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.51 3m3y h ILE 285 Cb 0.62 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 3m3y h ILE 285 CO 0.04 0.05 0.04 -0.26 -0.69 0.00 0.00 178.15 177.33 3m3y h PHE 286 N 0.28 0.23 0.21 1.37 -1.00 -1.16 -2.98 116.94 113.88 3m3y h PHE 286 Ca 0.14 -0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.90 3m3y h PHE 286 Cb 0.08 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 3m3y h PHE 286 CO -0.12 0.36 -0.46 0.00 -1.61 0.00 0.00 178.31 176.48 3m3y h ARG 287 N 0.03 -0.73 0.00 1.51 3.08 -1.16 0.34 114.38 117.45 3m3y h ARG 287 Ca 0.04 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3m3y h ARG 287 Cb 0.24 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3m3y h ARG 287 CO -0.00 -0.49 0.70 0.00 -1.07 0.00 0.00 179.97 179.11 3m3y h ALA 288 N -0.41 1.56 -0.42 0.04 0.00 -1.20 0.17 119.26 119.00 3m3y h ALA 288 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m3y h ALA 288 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3m3y h ALA 288 CO -0.21 -0.56 0.00 1.28 0.00 0.00 0.00 179.25 179.76 3m3y n LEU 289 N -2.10 3.20 0.00 0.00 4.77 0.11 -4.83 117.00 118.15 3m3y n LEU 289 Ca -0.00 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 3m3y n LEU 289 Cb 0.70 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3m3y n LEU 289 CO 0.02 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3m3y n GLY 290 N 1.05 2.74 3.39 -0.72 0.00 0.58 -4.67 105.19 107.55 3m3y n GLY 290 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3m3y n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m3y s ILE 291 N -2.54 4.81 -0.16 -0.61 1.09 -0.82 -4.93 121.20 118.04 3m3y s ILE 291 Ca 0.00 -1.09 -0.12 0.00 -1.10 0.00 0.00 60.65 58.33 3m3y s ILE 291 Cb 0.00 -4.54 -0.06 0.00 -1.06 0.00 0.00 42.46 36.79 3m3y s ILE 291 CO 0.00 -1.20 -0.14 -0.38 -0.10 0.00 0.00 174.94 173.12 3m3y n ILE 292 N 5.47 1.45 -2.33 2.92 2.08 -1.26 -2.59 119.36 125.09 3m3y n ILE 292 Ca -0.04 0.15 -0.41 0.00 0.56 0.00 0.00 62.75 63.01 3m3y n ILE 292 Cb 0.44 -2.32 -0.03 0.00 -0.75 0.00 0.00 39.64 36.98 3m3y n ILE 292 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3m3y s PRO 293 N -2.34 4.46 0.61 0.38 0.04 -1.26 -4.84 135.00 132.05 3m3y s PRO 293 Ca -0.19 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 3m3y s PRO 293 Cb 0.03 -3.23 -0.12 0.00 0.04 0.00 0.00 34.50 31.22 3m3y s PRO 293 CO 0.31 -0.14 0.06 -0.25 0.04 0.00 0.00 177.00 177.01 3m3y n ASP 294 N 2.62 -2.91 0.00 6.66 10.43 -1.26 -1.68 116.55 130.40 3m3y n ASP 294 Ca 0.05 0.61 0.00 0.00 2.57 0.00 0.00 54.79 58.02 3m3y n ASP 294 Cb 0.44 -0.97 0.00 0.00 1.84 0.00 0.00 41.12 42.43 3m3y n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3m3y n GLY 295 N 2.31 2.10 0.10 0.44 0.00 -1.26 -4.27 105.19 104.60 3m3y n GLY 295 Ca 0.08 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3m3y n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3m3y h GLU 296 N 0.00 0.14 0.52 1.61 4.81 -1.82 -2.88 114.58 116.97 3m3y h GLU 296 Ca 0.00 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3m3y h GLU 296 Cb 0.00 0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.46 3m3y h GLU 296 CO 0.00 1.04 -0.25 0.82 -0.73 0.00 0.00 179.01 179.89 3m3y h ILE 297 N 0.06 0.42 0.00 2.32 2.04 -1.50 -3.12 117.51 117.73 3m3y h ILE 297 Ca -0.06 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3m3y h ILE 297 Cb 1.73 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3m3y h ILE 297 CO 0.15 0.04 -0.03 -0.07 0.00 0.00 0.00 178.15 178.25 3m3y h LEU 298 N -0.89 0.00 -1.66 1.44 3.38 -1.85 0.11 115.31 115.83 3m3y h LEU 298 Ca -0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3m3y h LEU 298 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3m3y h LEU 298 CO 0.12 0.03 0.23 -0.33 0.09 0.00 0.00 178.44 178.58 3m3y h GLU 299 N 0.00 0.45 0.04 1.13 4.39 -1.45 0.28 114.58 119.42 3m3y h GLU 299 Ca -0.00 -0.03 -0.26 0.00 0.34 0.00 0.00 59.36 59.42 3m3y h GLU 299 Cb 0.22 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3m3y h GLU 299 CO 0.00 0.30 -1.32 0.45 -1.16 0.00 0.00 179.01 177.28 3m3y h HIS 300 N 0.46 0.14 0.10 4.33 3.86 -0.75 -3.37 115.15 119.91 3m3y h HIS 300 Ca 0.13 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3m3y h HIS 300 Cb -0.03 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.43 3m3y h HIS 300 CO -0.00 1.11 -0.05 0.82 0.86 0.00 0.00 177.93 180.67 3m3y h ILE 301 N 0.02 0.09 -3.42 2.45 5.03 -1.34 -3.36 117.51 116.97 3m3y h ILE 301 Ca -0.14 -0.96 -0.72 0.00 -0.12 0.00 0.00 64.86 62.92 3m3y h ILE 301 Cb 1.90 0.17 -0.28 0.00 -3.03 0.00 0.00 36.82 35.58 3m3y h ILE 301 CO 0.13 0.03 -0.45 0.00 -0.68 0.00 0.00 178.15 177.17 3m3y n TYR 303 N 4.91 0.00 -3.63 0.00 4.02 -1.26 -4.57 117.16 116.62 3m3y n TYR 303 Ca -0.09 -0.42 -0.04 0.00 -0.01 0.00 0.00 57.90 57.33 3m3y n TYR 303 Cb 0.42 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.46 3m3y n TYR 303 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3m3y s ASP 304 N 0.99 -0.96 0.32 7.72 2.15 -1.26 -4.84 116.67 120.78 3m3y s ASP 304 Ca 0.00 1.45 0.26 0.00 0.43 0.00 0.00 52.55 54.69 3m3y s ASP 304 Cb 0.00 1.67 0.88 0.00 -0.30 0.00 0.00 42.92 45.17 3m3y s ASP 304 CO 0.00 -0.22 1.76 -0.37 -0.17 0.00 0.00 175.17 176.17 3m3y h VAL 305 N 5.33 0.00 0.00 1.11 -1.51 -1.96 -3.23 116.25 116.00 3m3y h VAL 305 Ca -0.26 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.73 3m3y h VAL 305 Cb 1.18 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3m3y h VAL 305 CO 0.14 0.00 -0.81 0.78 -1.23 0.00 0.00 177.57 176.45 3m3y h ASN 306 N 0.00 0.00 -0.09 4.19 2.35 -1.96 -3.42 115.58 116.65 3m3y h ASN 306 Ca 0.00 -0.01 -0.63 0.00 -0.55 0.00 0.00 56.30 55.11 3m3y h ASN 306 Cb 0.62 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.00 3m3y h ASN 306 CO 0.00 0.00 2.36 -0.67 -1.65 0.00 0.00 177.43 177.47 3m3y n ASP 307 N -2.74 3.00 -0.30 5.81 -0.08 -1.22 -4.73 116.55 116.28 3m3y n ASP 307 Ca 0.01 -2.73 0.04 0.00 -1.51 0.00 0.00 54.79 50.60 3m3y n ASP 307 Cb 0.54 -1.33 0.19 0.00 2.34 0.00 0.00 41.12 42.86 3m3y n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 3m3y h TRP 308 N 7.64 0.89 -0.91 -0.67 5.08 -1.89 -2.31 115.95 123.77 3m3y h TRP 308 Ca 0.44 0.03 0.17 0.00 1.08 0.00 0.00 58.89 60.61 3m3y h TRP 308 Cb 0.70 -0.27 -0.07 0.00 -3.00 0.00 0.00 29.16 26.52 3m3y h TRP 308 CO 1.30 0.34 0.59 1.96 -1.28 0.00 0.00 178.44 181.35 3m3y h GLN 309 N 0.80 0.59 0.09 0.12 4.20 -2.00 0.32 115.11 119.24 3m3y h GLN 309 Ca 0.42 -0.04 -0.32 0.00 0.06 0.00 0.00 58.65 58.78 3m3y h GLN 309 Cb 0.43 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3m3y h GLN 309 CO -0.27 0.39 -1.72 1.98 -0.67 0.00 0.00 178.83 178.55 3m3y h MET 310 N 0.61 0.19 -0.07 1.46 4.05 -1.83 -3.28 114.93 116.05 3m3y h MET 310 Ca 0.47 -0.32 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 3m3y h MET 310 Cb 0.89 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.81 3m3y h MET 310 CO -0.22 0.98 0.01 -0.07 0.23 0.00 0.00 176.91 177.84 3m3y h LEU 311 N 0.05 0.12 -1.02 3.39 3.38 -1.19 -2.28 115.31 117.76 3m3y h LEU 311 Ca -0.31 -0.28 0.42 0.00 0.09 0.00 0.00 57.88 57.80 3m3y h LEU 311 Cb 2.02 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 42.57 3m3y h LEU 311 CO 0.12 0.37 0.56 1.21 0.09 0.00 0.00 178.44 180.79 3m3y n GLU 312 N -4.87 -0.06 0.03 1.13 4.07 0.07 0.14 120.64 121.14 3m3y n GLU 312 Ca -0.07 1.34 0.10 0.00 -0.06 0.00 0.00 57.16 58.48 3m3y n GLU 312 Cb 0.17 -2.43 0.44 0.00 -0.06 0.00 0.00 31.44 29.56 3m3y n GLU 312 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3m3y n MET 313 N -5.16 0.05 -0.02 5.31 2.81 -0.86 -2.75 117.12 116.50 3m3y n MET 313 Ca 0.38 0.19 0.06 0.00 -1.81 0.00 0.00 57.70 56.51 3m3y n MET 313 Cb 1.29 -1.57 -0.14 0.00 -0.71 0.00 0.00 33.22 32.09 3m3y n MET 313 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3m3y n LEU 314 N -1.66 0.00 -0.33 4.03 4.77 0.37 -4.46 117.00 119.72 3m3y n LEU 314 Ca 0.05 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3m3y n LEU 314 Cb 0.26 0.07 0.17 0.00 -2.33 0.00 0.00 43.42 41.58 3m3y n LEU 314 CO 0.20 0.07 0.71 0.11 -1.33 0.00 0.00 177.39 177.16 3m3y h LYS 315 N 0.00 0.01 0.00 3.23 1.57 -1.28 0.54 116.57 120.64 3m3y h LYS 315 Ca -0.08 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3m3y h LYS 315 Cb 1.04 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 3m3y h LYS 315 CO 0.00 0.01 -0.07 -1.00 -0.57 0.00 0.00 179.45 177.82 3m3y h PRO 316 N 0.01 0.00 -0.58 3.15 0.13 -1.78 -2.42 132.00 130.51 3m3y h PRO 316 Ca 0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.52 3m3y h PRO 316 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 3m3y h PRO 316 CO -0.93 0.07 0.01 0.00 -0.23 0.00 0.00 178.00 176.92 3m3y h VAL 318 N 0.91 0.98 -0.33 0.00 2.07 -0.98 -2.76 116.25 116.15 3m3y h VAL 318 Ca 0.17 -1.05 0.09 0.00 0.82 0.00 0.00 66.70 66.73 3m3y h VAL 318 Cb 0.51 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3m3y h VAL 318 CO 0.03 0.23 0.59 -0.33 0.02 0.00 0.00 177.57 178.10 3m3y h GLU 319 N -0.75 0.00 0.03 1.57 3.07 -1.54 0.13 114.58 117.09 3m3y h GLU 319 Ca -0.02 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 3m3y h GLU 319 Cb 0.52 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3m3y h GLU 319 CO 0.03 0.00 -0.49 0.22 -1.40 0.00 0.00 179.01 177.37 3m3y h ASP 320 N 0.00 0.37 -0.21 1.42 1.82 -1.38 -3.30 116.42 115.14 3m3y h ASP 320 Ca 0.16 -0.83 0.00 0.00 -0.39 0.00 0.00 57.03 55.96 3m3y h ASP 320 Cb 1.33 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.23 3m3y h ASP 320 CO -0.00 1.17 0.00 0.61 -1.61 0.00 0.00 179.24 179.40 3m3y n GLY 321 N 1.26 0.42 0.00 -0.78 0.00 -0.14 -4.33 105.19 101.62 3m3y n GLY 321 Ca -0.11 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.52 3m3y n GLY 321 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3m3y n PHE 322 N 0.42 0.00 1.05 1.61 7.35 0.27 -1.53 117.46 126.63 3m3y n PHE 322 Ca 0.16 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.96 3m3y n PHE 322 Cb 0.34 0.00 0.08 0.00 0.35 0.00 0.00 39.48 40.25 3m3y n PHE 322 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3m3y n VAL 323 N -0.74 0.00 -3.71 -2.13 0.31 -1.26 -4.85 118.33 105.95 3m3y n VAL 323 Ca 0.06 -0.14 -0.26 0.00 -0.01 0.00 0.00 64.34 63.98 3m3y n VAL 323 Cb 0.03 0.91 -0.17 0.00 -0.91 0.00 0.00 33.84 33.70 3m3y n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3m3y s ILE 324 N -2.66 0.32 -0.51 2.52 1.01 -0.58 -5.04 121.20 116.26 3m3y s ILE 324 Ca 0.17 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.59 3m3y s ILE 324 Cb 0.18 -0.78 0.17 0.00 0.01 0.00 0.00 42.46 42.03 3m3y s ILE 324 CO 0.64 -0.12 1.14 1.67 0.00 0.00 0.00 174.94 178.27 3m3y n GLN 325 N 5.14 2.91 -4.08 2.79 -0.06 -1.26 -4.95 117.38 117.87 3m3y n GLN 325 Ca -0.08 -1.80 -0.10 0.00 -2.00 0.00 0.00 57.00 53.02 3m3y n GLN 325 Cb 0.48 -1.15 -0.08 0.00 -4.06 0.00 0.00 30.24 25.44 3m3y n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3m3y s ASP 326 N -1.00 0.04 0.16 1.69 1.47 -1.26 -4.97 116.67 112.80 3m3y s ASP 326 Ca 0.13 -1.11 -0.15 0.00 1.18 0.00 0.00 52.55 52.59 3m3y s ASP 326 Cb 0.07 0.47 0.03 0.00 -0.34 0.00 0.00 42.92 43.15 3m3y s ASP 326 CO 0.09 -0.97 1.78 -0.09 0.68 0.00 0.00 175.17 176.66 3m3y h ARG 327 N 2.46 0.64 -0.50 2.11 2.43 -1.96 -2.61 114.38 116.95 3m3y h ARG 327 Ca -0.31 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 58.90 3m3y h ARG 327 Cb 1.24 -0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.58 3m3y h ARG 327 CO 0.45 0.48 -0.02 1.49 -1.51 0.00 0.00 179.97 180.85 3m3y h GLU 328 N 0.62 0.09 0.00 0.20 4.57 -1.96 -1.98 114.58 116.11 3m3y h GLU 328 Ca 0.17 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 58.10 3m3y h GLU 328 Cb 0.01 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 3m3y h GLU 328 CO -0.03 0.06 -1.31 1.79 -1.18 0.00 0.00 179.01 178.34 3m3y h THR 329 N 0.09 1.28 -0.11 0.32 1.35 -1.98 -2.97 112.91 110.90 3m3y h THR 329 Ca 0.25 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 3m3y h THR 329 Cb 0.39 2.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 3m3y h THR 329 CO -0.44 0.73 0.07 0.00 -0.25 0.00 0.00 175.52 175.63 3m3y h ALA 330 N 1.02 0.14 -0.63 6.62 0.00 -1.16 -0.63 119.26 124.62 3m3y h ALA 330 Ca -0.14 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.86 3m3y h ALA 330 Cb 1.86 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.53 3m3y h ALA 330 CO 0.10 -0.37 0.23 -0.07 0.00 0.00 0.00 179.25 179.15 3m3y h LEU 331 N 0.14 0.22 -1.91 0.00 -0.00 -1.44 -2.47 115.31 109.84 3m3y h LEU 331 Ca 0.04 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.98 3m3y h LEU 331 Cb -0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.72 3m3y h LEU 331 CO -0.01 0.12 -0.11 -0.78 -0.00 0.00 0.00 178.44 177.66 3m3y h ASP 332 N 0.41 0.00 0.00 -0.43 1.82 -1.14 -0.30 116.42 116.78 3m3y h ASP 332 Ca 0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 3m3y h ASP 332 Cb 0.42 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.43 3m3y h ASP 332 CO -0.33 0.11 0.00 0.33 -1.61 0.00 0.00 179.24 177.74 3m3y n PHE 333 N -4.03 0.00 -3.70 0.28 7.35 -0.33 -4.09 117.46 112.93 3m3y n PHE 333 Ca -0.02 -0.10 -0.35 0.00 -0.76 0.00 0.00 57.45 56.22 3m3y n PHE 333 Cb 0.20 -0.10 -0.08 0.00 0.35 0.00 0.00 39.48 39.85 3m3y n PHE 333 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3m3y s ILE 334 N -0.49 3.94 0.10 -2.13 1.09 -0.12 -5.06 121.20 118.53 3m3y s ILE 334 Ca 0.00 -3.72 0.06 0.00 -1.10 0.00 0.00 60.65 55.89 3m3y s ILE 334 Cb 0.00 -3.49 -0.04 0.00 -1.06 0.00 0.00 42.46 37.87 3m3y s ILE 334 CO 0.00 -1.02 -0.06 -0.83 -0.10 0.00 0.00 174.94 172.92 3m3y s GLY 335 N -0.18 1.84 -0.13 6.18 0.00 -1.26 -4.77 107.32 109.00 3m3y s GLY 335 Ca 0.24 -1.21 -0.17 0.00 0.00 0.00 0.00 44.72 43.58 3m3y s GLY 335 CO -0.11 -1.19 0.47 1.70 0.00 0.00 0.00 173.10 173.97 3m3y h LYS 345 N 3.52 0.17 -0.14 2.90 3.11 -2.07 -3.40 116.57 120.65 3m3y h LYS 345 Ca -0.48 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.07 3m3y h LYS 345 Cb 1.17 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 3m3y h LYS 345 CO 0.55 1.14 0.00 -0.85 -2.81 0.00 0.00 179.45 177.48 3m3y n GLU 346 N -4.06 1.97 0.11 1.90 -0.00 -1.26 -3.13 120.64 116.19 3m3y n GLU 346 Ca -0.26 -1.44 0.12 0.00 -0.00 0.00 0.00 57.16 55.57 3m3y n GLU 346 Cb 0.83 -1.45 0.47 0.00 -0.00 0.00 0.00 31.44 31.28 3m3y n GLU 346 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3m3y n LYS 347 N 0.70 0.19 0.05 3.44 5.02 -1.26 -2.21 118.16 124.09 3m3y n LYS 347 Ca 0.17 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 3m3y n LYS 347 Cb 0.44 -1.83 0.15 0.00 -0.02 0.00 0.00 35.03 33.78 3m3y n LYS 347 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3m3y n ARG 348 N -2.18 0.27 0.07 1.97 1.85 -1.18 0.20 116.66 117.66 3m3y n ARG 348 Ca 0.03 0.06 -0.15 0.00 -1.00 0.00 0.00 57.85 56.79 3m3y n ARG 348 Cb 0.26 -1.66 -0.07 0.00 -1.05 0.00 0.00 32.46 29.94 3m3y n ARG 348 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3m3y h ILE 349 N 0.00 1.38 -0.17 8.89 2.04 -1.59 -2.99 117.51 125.06 3m3y h ILE 349 Ca 0.00 -2.49 -0.06 0.00 1.00 0.00 0.00 64.86 63.32 3m3y h ILE 349 Cb 0.73 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 39.30 3m3y h ILE 349 CO 0.00 0.74 -0.11 1.56 0.00 0.00 0.00 178.15 180.34 3m3y h GLN 350 N 0.24 0.38 -0.91 2.37 1.08 -1.35 -2.25 115.11 114.67 3m3y h GLN 350 Ca -0.10 -0.18 0.16 0.00 -1.45 0.00 0.00 58.65 57.07 3m3y h GLN 350 Cb 1.67 -0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 29.00 3m3y h GLN 350 CO 0.18 0.71 0.51 -0.92 -0.95 0.00 0.00 178.83 178.36 3m3y h TYR 351 N 0.05 0.90 -0.46 2.96 3.20 -0.38 -0.64 116.97 122.59 3m3y h TYR 351 Ca 0.04 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 3m3y h TYR 351 Cb 0.61 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3m3y h TYR 351 CO 0.07 0.23 0.03 0.00 -1.64 0.00 0.00 178.16 176.85 3m3y h ALA 352 N 1.58 1.18 0.00 1.82 0.00 -1.36 -3.01 119.26 119.47 3m3y h ALA 352 Ca 0.50 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3m3y h ALA 352 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3m3y h ALA 352 CO -0.36 0.54 -0.37 -0.22 0.00 0.00 0.00 179.25 178.84 3m3y h LYS 353 N 0.71 0.00 0.04 0.00 3.64 -0.51 -3.01 116.57 117.43 3m3y h LYS 353 Ca 0.14 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3m3y h LYS 353 Cb 0.39 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3m3y h LYS 353 CO 0.01 0.37 -0.34 -0.44 -2.27 0.00 0.00 179.45 176.78 3m3y h ASP 354 N 0.00 0.23 -0.63 4.20 3.32 -1.41 -3.25 116.42 118.88 3m3y h ASP 354 Ca -0.00 -0.90 0.18 0.00 0.02 0.00 0.00 57.03 56.33 3m3y h ASP 354 Cb 0.78 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3m3y h ASP 354 CO 0.05 1.11 0.53 0.40 -1.72 0.00 0.00 179.24 179.61 3m3y h ILE 355 N -0.62 0.49 -0.02 0.35 2.04 -1.42 1.09 117.51 119.42 3m3y h ILE 355 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3m3y h ILE 355 Cb 1.20 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3m3y h ILE 355 CO 0.07 0.00 -0.12 0.18 0.00 0.00 0.00 178.15 178.27 3m3y n LEU 356 N -4.02 1.63 -0.10 1.44 4.77 -1.15 -0.69 117.00 118.89 3m3y n LEU 356 Ca 0.12 -0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 55.44 3m3y n LEU 356 Cb 0.77 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.78 3m3y n LEU 356 CO 0.33 0.28 -0.82 0.00 -1.33 0.00 0.00 177.39 175.85 3m3y n GLN 357 N 0.09 0.53 0.06 3.23 6.02 0.31 -4.65 117.38 122.96 3m3y n GLN 357 Ca 0.15 0.22 -0.09 0.00 -0.01 0.00 0.00 57.00 57.26 3m3y n GLN 357 Cb 0.40 -1.42 -0.13 0.00 1.02 0.00 0.00 30.24 30.11 3m3y n GLN 357 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3m3y h LYS 358 N -0.98 0.06 0.00 -1.09 1.57 0.07 -3.39 116.57 112.81 3m3y h LYS 358 Ca -0.14 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.46 3m3y h LYS 358 Cb 1.11 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3m3y h LYS 358 CO -0.09 0.98 -1.25 0.39 -0.57 0.00 0.00 179.45 178.91 3m3y n GLU 359 N -3.35 0.10 -2.47 3.15 -0.58 -1.19 -4.79 120.64 111.51 3m3y n GLU 359 Ca -0.05 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.30 3m3y n GLU 359 Cb 0.98 -0.87 -0.03 0.00 -0.57 0.00 0.00 31.44 30.95 3m3y n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3m3y s PHE 360 N -2.08 3.13 -1.00 -0.32 5.36 0.13 -3.96 117.98 119.24 3m3y s PHE 360 Ca -0.06 1.20 -0.15 0.00 -0.96 0.00 0.00 56.93 56.96 3m3y s PHE 360 Cb 0.02 -3.42 0.01 0.00 -0.34 0.00 0.00 43.02 39.29 3m3y s PHE 360 CO 0.09 -1.31 0.68 1.28 -1.46 0.00 0.00 175.22 174.50 3m3y n LEU 361 N 5.57 -2.02 0.08 6.12 4.32 -1.26 -4.71 117.00 125.10 3m3y n LEU 361 Ca 0.12 -1.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.10 3m3y n LEU 361 Cb 0.46 -1.93 0.28 0.00 -1.62 0.00 0.00 43.42 40.61 3m3y n LEU 361 CO 0.55 0.40 0.76 -0.65 -1.22 0.00 0.00 177.39 177.23 3m3y h PRO 362 N -1.26 0.30 -7.43 3.23 0.11 -1.82 -3.38 132.00 121.75 3m3y h PRO 362 Ca -0.61 -0.10 -0.44 0.00 0.11 0.00 0.00 66.00 64.95 3m3y h PRO 362 Cb 1.36 -0.02 0.16 0.00 0.11 0.00 0.00 31.00 32.61 3m3y h PRO 362 CO 0.43 0.55 0.22 -3.38 -0.21 0.00 0.00 178.00 175.60 3m3y s HIS 363 N -4.45 1.77 0.00 0.65 -3.43 -1.26 -3.56 115.29 105.02 3m3y s HIS 363 Ca -0.05 0.78 0.00 0.00 -0.80 0.00 0.00 55.06 54.99 3m3y s HIS 363 Cb 0.14 -3.39 0.00 0.00 -1.43 0.00 0.00 32.58 27.90 3m3y s HIS 363 CO 0.76 -3.02 0.00 -0.89 -2.00 0.00 0.00 174.74 169.59 3m3y n ILE 364 N -4.21 0.00 -3.64 -5.38 2.08 -1.26 -4.76 119.36 102.18 3m3y n ILE 364 Ca 0.08 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.33 3m3y n ILE 364 Cb 0.58 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.41 3m3y n ILE 364 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3m3y s THR 365 N 0.00 0.00 -2.23 1.39 -1.32 -1.24 -4.98 115.64 107.26 3m3y s THR 365 Ca 0.00 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.67 3m3y s THR 365 Cb 0.00 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.42 3m3y s THR 365 CO 0.00 0.00 1.44 1.67 -2.21 0.00 0.00 174.62 175.52 3m3y n GLN 366 N 1.85 2.03 0.00 7.08 7.27 -1.23 -4.63 117.38 129.75 3m3y n GLN 366 Ca -0.11 -1.57 0.00 0.00 0.07 0.00 0.00 57.00 55.39 3m3y n GLN 366 Cb 0.56 -1.41 0.00 0.00 2.41 0.00 0.00 30.24 31.80 3m3y n GLN 366 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3m3y n LEU 367 N 0.78 0.00 0.00 1.69 4.77 -1.26 -4.40 117.00 118.58 3m3y n LEU 367 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3m3y n LEU 367 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3m3y n LEU 367 CO 0.13 0.00 -0.33 1.21 -1.33 0.00 0.00 177.39 177.06 3m3y n GLU 368 N 0.00 1.34 -0.21 3.23 0.00 -1.26 -4.77 120.64 118.97 3m3y n GLU 368 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.28 3m3y n GLU 368 Cb 0.00 -0.83 0.25 0.00 0.00 0.00 0.00 31.44 30.85 3m3y n GLU 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3m3y n GLY 369 N 2.51 1.66 3.25 8.31 0.00 -1.26 -4.85 105.19 114.80 3m3y n GLY 369 Ca 0.00 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 3m3y n GLY 369 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m3y s PHE 370 N -1.46 3.34 0.00 1.61 0.40 -1.26 -4.78 117.98 115.83 3m3y s PHE 370 Ca 0.39 -1.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.11 3m3y s PHE 370 Cb 0.22 -2.76 0.00 0.00 0.51 0.00 0.00 43.02 40.99 3m3y s PHE 370 CO 0.31 -0.82 0.00 0.39 0.70 0.00 0.00 175.22 175.79 3m3y n GLU 371 N 4.84 0.62 0.00 0.44 4.71 -1.26 -4.55 120.64 125.44 3m3y n GLU 371 Ca -0.10 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.19 3m3y n GLU 371 Cb 0.43 -0.85 0.63 0.00 -1.01 0.00 0.00 31.44 30.64 3m3y n GLU 371 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3m3y n SER 372 N -2.06 0.78 -0.04 1.62 3.41 -1.26 -1.56 113.62 114.51 3m3y n SER 372 Ca 0.00 -1.03 -0.01 0.00 -0.26 0.00 0.00 58.87 57.58 3m3y n SER 372 Cb 0.35 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 3m3y n SER 372 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3m3y h ARG 373 N 1.13 -0.01 -0.84 4.33 2.47 -1.90 -3.00 114.38 116.55 3m3y h ARG 373 Ca 0.00 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.81 3m3y h ARG 373 Cb 0.34 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.59 3m3y h ARG 373 CO 0.00 0.03 0.49 0.87 0.56 0.00 0.00 179.97 181.92 3m3y h LYS 374 N -1.00 0.81 -0.40 0.04 1.57 -1.80 -2.37 116.57 113.42 3m3y h LYS 374 Ca -0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3m3y h LYS 374 Cb 0.05 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3m3y h LYS 374 CO 0.00 0.54 -0.02 0.00 -0.57 0.00 0.00 179.45 179.40 3m3y h ALA 375 N 1.45 1.21 0.00 3.86 0.00 -1.44 -1.06 119.26 123.28 3m3y h ALA 375 Ca 0.40 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3m3y h ALA 375 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3m3y h ALA 375 CO -0.23 0.52 -0.32 0.74 0.00 0.00 0.00 179.25 179.96 3m3y h PHE 376 N 0.62 0.00 0.04 0.00 -1.00 -1.28 -2.17 116.94 113.15 3m3y h PHE 376 Ca 0.12 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.69 3m3y h PHE 376 Cb 0.42 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 3m3y h PHE 376 CO 0.02 0.32 -1.14 0.35 -1.61 0.00 0.00 178.31 176.25 3m3y h PHE 377 N 0.00 0.16 -1.04 -0.55 3.57 -1.10 0.66 116.94 118.64 3m3y h PHE 377 Ca -0.00 -0.12 0.27 0.00 3.53 0.00 0.00 57.97 61.65 3m3y h PHE 377 Cb 0.82 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.47 3m3y h PHE 377 CO 0.00 1.44 0.67 1.25 -2.23 0.00 0.00 178.31 179.45 3m3y h LEU 378 N -0.73 0.43 -0.40 0.59 5.85 -1.32 0.37 115.31 120.10 3m3y h LEU 378 Ca -0.28 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.55 3m3y h LEU 378 Cb 1.43 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.44 3m3y h LEU 378 CO -0.08 0.09 0.21 1.23 -0.34 0.00 0.00 178.44 179.55 3m3y h GLY 379 N 0.38 0.55 1.12 3.75 0.00 -0.88 -2.05 103.07 105.94 3m3y h GLY 379 Ca 0.59 -0.15 -0.19 0.00 0.00 0.00 0.00 47.33 47.58 3m3y h GLY 379 CO -0.28 0.11 -0.57 -1.82 0.00 0.00 0.00 176.54 173.98 3m3y h TYR 380 N 0.42 1.06 0.23 5.60 3.20 0.18 -2.25 116.97 125.41 3m3y h TYR 380 Ca 0.17 -0.40 0.01 0.00 3.14 0.00 0.00 58.73 61.65 3m3y h TYR 380 Cb 0.07 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3m3y h TYR 380 CO -0.10 1.22 -0.40 0.52 -1.64 0.00 0.00 178.16 177.77 3m3y h MET 381 N 0.59 -0.68 -0.84 1.82 2.86 -0.32 -1.29 114.93 117.08 3m3y h MET 381 Ca -0.00 0.05 0.17 0.00 -2.06 0.00 0.00 59.70 57.85 3m3y h MET 381 Cb 1.19 0.15 -0.10 0.00 0.06 0.00 0.00 31.60 32.90 3m3y h MET 381 CO 0.13 -0.45 0.39 0.82 1.06 0.00 0.00 176.91 178.85 3m3y h ILE 382 N -0.70 0.63 -0.72 -1.22 1.08 -1.45 -0.40 117.51 114.72 3m3y h ILE 382 Ca 0.00 -0.17 0.09 0.00 -0.39 0.00 0.00 64.86 64.39 3m3y h ILE 382 Cb 0.68 0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 3m3y h ILE 382 CO -0.16 0.09 0.37 -1.13 -0.69 0.00 0.00 178.15 176.63 3m3y h ASN 383 N 0.51 0.50 0.58 1.72 -1.24 -0.72 -2.55 115.58 114.37 3m3y h ASN 383 Ca 0.48 0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.52 3m3y h ASN 383 Cb 0.78 -0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.80 3m3y h ASN 383 CO -0.43 0.29 -0.28 0.03 -1.29 0.00 0.00 177.43 175.75 3m3y h ARG 384 N 0.63 -0.75 -1.10 6.67 -0.00 -0.01 -1.80 114.38 118.04 3m3y h ARG 384 Ca 0.35 0.05 0.34 0.00 -0.50 0.00 0.00 59.98 60.22 3m3y h ARG 384 Cb 0.35 0.17 -0.13 0.00 0.00 0.00 0.00 29.97 30.35 3m3y h ARG 384 CO -0.26 -0.46 0.67 1.25 0.00 0.00 0.00 179.97 181.17 3m3y h LEU 385 N -0.87 0.43 0.11 3.04 5.85 -0.97 -1.58 115.31 121.31 3m3y h LEU 385 Ca -0.08 0.15 -0.33 0.00 0.84 0.00 0.00 57.88 58.46 3m3y h LEU 385 Cb 0.63 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3m3y h LEU 385 CO 0.13 -0.10 -1.78 -0.07 -0.34 0.00 0.00 178.44 176.28 3m3y h LEU 386 N 0.28 0.36 -1.89 2.25 3.38 -1.23 -2.57 115.31 115.88 3m3y h LEU 386 Ca 0.73 -0.66 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3m3y h LEU 386 Cb 1.88 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 3m3y h LEU 386 CO -0.48 1.58 0.40 -0.07 0.09 0.00 0.00 178.44 179.96 3m3y h LEU 387 N 0.06 0.00 0.02 1.67 3.38 -0.42 0.92 115.31 120.94 3m3y h LEU 387 Ca -0.34 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.27 3m3y h LEU 387 Cb 2.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.73 3m3y h LEU 387 CO 0.12 0.00 -2.25 0.00 0.09 0.00 0.00 178.44 176.40 3m3y h ALA 389 N 0.56 0.84 -0.00 0.00 0.00 -0.91 -2.86 119.26 116.89 3m3y h ALA 389 Ca -0.50 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3m3y h ALA 389 Cb 2.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3m3y h ALA 389 CO 0.01 0.32 -0.05 1.28 0.00 0.00 0.00 179.25 180.81 3m3y n LEU 390 N -3.17 0.09 -2.75 0.00 4.77 0.23 -4.98 117.00 111.20 3m3y n LEU 390 Ca 0.03 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 3m3y n LEU 390 Cb 0.63 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3m3y n LEU 390 CO 0.37 0.02 0.09 0.47 -1.33 0.00 0.00 177.39 177.01 3m3y n ASP 391 N -1.33 -2.25 -0.08 -1.43 9.92 -1.08 -4.96 116.55 115.34 3m3y n ASP 391 Ca 0.11 -0.44 -0.10 0.00 -0.53 0.00 0.00 54.79 53.83 3m3y n ASP 391 Cb 0.29 -3.84 -0.08 0.00 -0.64 0.00 0.00 41.12 36.85 3m3y n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3m3y n ARG 392 N -3.30 0.69 -4.27 -1.24 1.74 -0.56 -4.97 116.66 104.76 3m3y n ARG 392 Ca -0.19 0.07 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 3m3y n ARG 392 Cb 0.62 -1.32 -0.09 0.00 -1.02 0.00 0.00 32.46 30.65 3m3y n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3m3y s LYS 393 N -2.32 2.58 0.03 5.56 3.01 -0.57 -5.04 119.74 123.01 3m3y s LYS 393 Ca -0.19 -0.76 -0.03 0.00 -1.01 0.00 0.00 55.97 53.99 3m3y s LYS 393 Cb 0.05 -2.55 -0.04 0.00 -1.01 0.00 0.00 37.83 34.28 3m3y s LYS 393 CO 0.39 0.58 0.23 0.16 0.51 0.00 0.00 175.35 177.23 3m3y s ASP 394 N -1.85 6.41 0.05 2.83 3.84 -1.26 -4.29 116.67 122.40 3m3y s ASP 394 Ca 0.21 0.41 -0.04 0.00 -0.00 0.00 0.00 52.55 53.13 3m3y s ASP 394 Cb -0.11 -2.02 -0.03 0.00 -1.38 0.00 0.00 42.92 39.38 3m3y s ASP 394 CO 0.13 0.21 0.06 1.67 -0.00 0.00 0.00 175.17 177.24 3m3y n GLN 395 N 0.70 0.00 -2.16 2.11 7.27 -1.26 -4.87 117.38 119.17 3m3y n GLN 395 Ca -0.08 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.64 3m3y n GLN 395 Cb 0.52 -0.17 0.01 0.00 2.41 0.00 0.00 30.24 33.01 3m3y n GLN 395 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3m3y s ASP 396 N -0.17 5.62 -0.73 1.69 1.01 0.05 -4.96 116.67 119.19 3m3y s ASP 396 Ca 0.11 2.12 -0.19 0.00 0.71 0.00 0.00 52.55 55.29 3m3y s ASP 396 Cb -0.14 -2.57 0.11 0.00 1.01 0.00 0.00 42.92 41.33 3m3y s ASP 396 CO 0.10 -1.28 0.89 -0.62 0.21 0.00 0.00 175.17 174.47 3m3y s ASP 397 N -1.99 6.36 0.00 0.27 -1.08 -1.26 -4.91 116.67 114.07 3m3y s ASP 397 Ca 0.71 -1.62 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 3m3y s ASP 397 Cb -0.23 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 3m3y s ASP 397 CO 0.30 -1.13 0.56 -2.11 0.52 0.00 0.00 175.17 173.31 3m3y n ARG 398 N 6.50 0.00 -0.21 4.34 1.85 -1.26 -2.24 116.66 125.64 3m3y n ARG 398 Ca 0.04 0.13 0.09 0.00 -1.00 0.00 0.00 57.85 57.11 3m3y n ARG 398 Cb 0.45 -1.54 0.16 0.00 -1.05 0.00 0.00 32.46 30.49 3m3y n ARG 398 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3m3y n ASP 399 N -1.06 2.35 -4.63 2.89 8.00 -1.26 -4.70 116.55 118.14 3m3y n ASP 399 Ca 0.00 -3.25 -0.42 0.00 0.71 0.00 0.00 54.79 51.83 3m3y n ASP 399 Cb 0.04 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.63 3m3y n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3m3y s HIS 400 N -2.95 3.26 0.51 1.24 2.46 -0.95 -4.91 115.29 113.94 3m3y s HIS 400 Ca 0.34 1.00 0.21 0.00 0.47 0.00 0.00 55.06 57.08 3m3y s HIS 400 Cb 0.30 -3.15 1.30 0.00 -0.13 0.00 0.00 32.58 30.90 3m3y s HIS 400 CO 0.02 -0.49 2.03 0.35 -2.47 0.00 0.00 174.74 174.18 3m3y h PHE 401 N 7.89 0.07 -0.02 3.88 3.57 -1.92 -1.98 116.94 128.43 3m3y h PHE 401 Ca -0.23 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.21 3m3y h PHE 401 Cb 1.09 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3m3y h PHE 401 CO 0.77 0.04 -0.26 0.78 -2.23 0.00 0.00 178.31 177.40 3m3y h GLY 402 N 0.07 0.04 -3.42 2.40 0.00 -1.91 -0.96 103.07 99.30 3m3y h GLY 402 Ca 0.19 -0.03 -0.37 0.00 0.00 0.00 0.00 47.33 47.12 3m3y h GLY 402 CO -0.01 0.03 0.47 0.28 0.00 0.00 0.00 176.54 177.31 3m3y n LYS 403 N -4.22 1.90 -4.29 4.80 5.02 -0.74 -4.69 118.16 115.95 3m3y n LYS 403 Ca -0.02 -2.11 -0.17 0.00 -2.02 0.00 0.00 58.31 53.99 3m3y n LYS 403 Cb 0.32 -1.83 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 3m3y n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3m3y s LYS 404 N -2.33 1.16 0.09 1.97 1.02 -0.37 -2.00 119.74 119.29 3m3y s LYS 404 Ca 0.40 -1.44 0.06 0.00 0.02 0.00 0.00 55.97 55.01 3m3y s LYS 404 Cb 0.33 -0.92 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 3m3y s LYS 404 CO 0.07 0.15 -0.15 1.03 -0.92 0.00 0.00 175.35 175.53 3m3y s ARG 405 N -3.36 0.90 -0.18 1.68 1.81 -0.51 -4.72 118.95 114.56 3m3y s ARG 405 Ca 0.17 -1.06 -0.02 0.00 -1.72 0.00 0.00 55.73 53.10 3m3y s ARG 405 Cb -0.01 -0.89 -0.01 0.00 -0.45 0.00 0.00 34.95 33.59 3m3y s ARG 405 CO 0.04 0.19 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.24 3m3y s LEU 406 N -1.97 2.70 -0.26 2.53 1.43 -0.52 -1.53 118.68 121.05 3m3y s LEU 406 Ca 0.02 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 3m3y s LEU 406 Cb -0.08 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 3m3y s LEU 406 CO 0.03 0.04 0.73 -1.81 0.23 0.00 0.00 176.35 175.57 3m3y s ASP 407 N 1.09 6.68 0.01 2.29 1.01 0.71 -4.53 116.67 123.91 3m3y s ASP 407 Ca 0.00 0.79 0.00 0.00 0.71 0.00 0.00 52.55 54.05 3m3y s ASP 407 Cb -0.15 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3m3y s ASP 407 CO -0.02 -0.48 0.00 0.18 0.21 0.00 0.00 175.17 175.06 3m3y n LEU 408 N 5.92 0.00 -0.33 1.23 7.99 -1.26 -1.21 117.00 129.34 3m3y n LEU 408 Ca 0.02 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.13 3m3y n LEU 408 Cb 0.48 0.00 0.32 0.00 -0.11 0.00 0.00 43.42 44.11 3m3y n LEU 408 CO 0.46 -0.02 1.22 0.00 -1.51 0.00 0.00 177.39 177.54 3m3y h ALA 409 N -1.13 1.69 -1.96 -1.18 0.00 -1.89 -2.65 119.26 112.13 3m3y h ALA 409 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3m3y h ALA 409 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3m3y h ALA 409 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3m3y n GLY 410 N -1.38 -2.85 0.50 0.00 0.00 -1.26 -2.09 105.19 98.12 3m3y n GLY 410 Ca 0.20 0.07 0.36 0.00 0.00 0.00 0.00 46.02 46.65 3m3y n GLY 410 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3m3y h PRO 411 N 0.00 0.11 0.00 1.61 0.11 -1.87 0.11 132.00 132.07 3m3y h PRO 411 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3m3y h PRO 411 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3m3y h PRO 411 CO 0.00 0.08 0.00 1.28 -0.21 0.00 0.00 178.00 179.15 3m3y n LEU 412 N -4.50 0.45 -0.16 2.35 4.77 -1.00 -2.59 117.00 116.32 3m3y n LEU 412 Ca 0.34 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 57.04 3m3y n LEU 412 Cb 1.39 -0.27 0.20 0.00 -2.33 0.00 0.00 43.42 42.41 3m3y n LEU 412 CO 0.28 -0.27 0.44 0.18 -1.33 0.00 0.00 177.39 176.68 3m3y n LEU 413 N -1.31 0.03 0.24 2.23 4.77 -0.89 -0.63 117.00 121.44 3m3y n LEU 413 Ca 0.00 0.81 0.14 0.00 -0.03 0.00 0.00 56.01 56.93 3m3y n LEU 413 Cb 0.00 -0.34 0.36 0.00 -2.33 0.00 0.00 43.42 41.12 3m3y n LEU 413 CO 0.00 -0.86 0.88 0.00 -1.33 0.00 0.00 177.39 176.08 3m3y h ALA 414 N 0.97 1.00 0.08 -1.18 0.00 -0.72 0.25 119.26 119.66 3m3y h ALA 414 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.92 3m3y h ALA 414 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3m3y h ALA 414 CO -0.42 0.00 -1.82 -0.56 0.00 0.00 0.00 179.25 176.45 3m3y h GLN 415 N 0.00 0.18 -0.36 0.00 3.07 -0.61 -2.75 115.11 114.64 3m3y h GLN 415 Ca 0.00 -0.30 -0.03 0.00 0.09 0.00 0.00 58.65 58.42 3m3y h GLN 415 Cb 0.81 0.11 -0.02 0.00 0.08 0.00 0.00 27.48 28.47 3m3y h GLN 415 CO 0.00 0.95 0.13 1.25 0.09 0.00 0.00 178.83 181.25 3m3y h LEU 416 N 0.05 0.51 -0.59 0.06 6.46 -1.18 -2.79 115.31 117.84 3m3y h LEU 416 Ca -0.35 -0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.23 3m3y h LEU 416 Cb 2.03 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.79 3m3y h LEU 416 CO 0.10 0.56 0.36 0.15 -0.62 0.00 0.00 178.44 179.00 3m3y h PHE 417 N 0.43 0.76 0.41 1.25 3.57 -0.60 0.41 116.94 123.17 3m3y h PHE 417 Ca 0.12 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3m3y h PHE 417 Cb 0.22 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3m3y h PHE 417 CO 0.00 0.51 -0.51 -0.22 -2.23 0.00 0.00 178.31 175.86 3m3y h LYS 418 N 0.79 -0.91 -0.56 1.11 3.64 -1.37 0.27 116.57 119.54 3m3y h LYS 418 Ca 0.21 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 3m3y h LYS 418 Cb -0.04 0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 3m3y h LYS 418 CO -0.04 -0.61 -0.41 1.15 -2.27 0.00 0.00 179.45 177.27 3m3y h THR 419 N -0.95 0.00 -0.88 1.00 2.02 -1.41 -0.98 112.91 111.70 3m3y h THR 419 Ca -0.05 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.23 3m3y h THR 419 Cb 0.85 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.18 3m3y h THR 419 CO -0.12 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.23 3m3y h LEU 420 N -0.10 0.77 0.00 2.58 3.38 -0.21 -1.37 115.31 120.36 3m3y h LEU 420 Ca 0.09 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3m3y h LEU 420 Cb 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3m3y h LEU 420 CO -0.58 0.44 -0.21 0.15 0.09 0.00 0.00 178.44 178.33 3m3y h PHE 421 N 0.88 0.00 0.21 1.13 3.57 -0.67 -0.99 116.94 121.07 3m3y h PHE 421 Ca 0.42 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.59 3m3y h PHE 421 Cb 0.37 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.14 3m3y h PHE 421 CO -0.04 0.00 -1.51 -0.22 -2.23 0.00 0.00 178.31 174.30 3m3y h LYS 422 N 0.00 0.45 -0.69 1.11 3.64 -0.28 0.49 116.57 121.29 3m3y h LYS 422 Ca 0.00 -0.77 -0.00 0.00 -1.27 0.00 0.00 60.65 58.60 3m3y h LYS 422 Cb 0.82 0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3m3y h LYS 422 CO 0.00 1.36 0.41 -0.22 -2.27 0.00 0.00 179.45 178.74 3m3y h LYS 423 N 0.12 0.94 -0.41 1.90 3.11 -1.16 0.11 116.57 121.18 3m3y h LYS 423 Ca -0.26 -0.09 -0.05 0.00 -2.81 0.00 0.00 60.65 57.44 3m3y h LYS 423 Cb 2.12 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 33.14 3m3y h LYS 423 CO 0.24 0.68 0.07 1.25 -2.81 0.00 0.00 179.45 178.87 3m3y h LEU 424 N 0.95 0.66 0.26 5.20 5.85 -1.17 0.40 115.31 127.45 3m3y h LEU 424 Ca 0.25 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3m3y h LEU 424 Cb -0.02 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3m3y h LEU 424 CO -0.05 0.75 -0.12 0.00 -0.34 0.00 0.00 178.44 178.68 3m3y h THR 425 N 0.54 0.78 0.00 1.05 1.03 -0.63 -0.50 112.91 115.18 3m3y h THR 425 Ca 0.13 -0.24 -0.02 0.00 -0.01 0.00 0.00 66.41 66.26 3m3y h THR 425 Cb 0.37 0.92 -0.00 0.00 -1.07 0.00 0.00 68.15 68.37 3m3y h THR 425 CO 0.01 0.05 -0.11 0.07 -0.01 0.00 0.00 175.52 175.53 3m3y h LYS 426 N -0.47 0.00 -0.04 0.00 5.09 -0.85 -2.31 116.57 117.98 3m3y h LYS 426 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.56 3m3y h LYS 426 Cb 0.35 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 3m3y h LYS 426 CO 0.06 0.11 -0.63 0.22 -2.09 0.00 0.00 179.45 177.11 3m3y h ASP 427 N 0.00 0.18 -0.50 7.07 1.82 -0.69 -3.20 116.42 121.10 3m3y h ASP 427 Ca -0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 3m3y h ASP 427 Cb 0.85 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.81 3m3y h ASP 427 CO 0.01 0.77 0.00 0.00 -1.61 0.00 0.00 179.24 178.41 3m3y n ILE 428 N -3.83 0.66 0.06 2.25 0.00 -0.21 -3.01 119.36 115.27 3m3y n ILE 428 Ca -0.02 -0.75 -0.22 0.00 0.00 0.00 0.00 62.75 61.75 3m3y n ILE 428 Cb 0.63 0.59 -0.15 0.00 0.00 0.00 0.00 39.64 40.71 3m3y n ILE 428 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 3m3y h PHE 429 N 3.75 0.65 -0.83 9.51 -0.00 -1.50 -3.32 116.94 125.19 3m3y h PHE 429 Ca 0.00 -0.47 -0.03 0.00 -0.00 0.00 0.00 57.97 57.47 3m3y h PHE 429 Cb 0.84 -0.03 -0.04 0.00 -0.00 0.00 0.00 35.95 36.73 3m3y h PHE 429 CO 0.33 1.60 0.39 0.00 -0.00 0.00 0.00 178.31 180.64 3m3y h ARG 430 N -0.06 1.20 0.00 1.11 3.08 -1.61 -0.80 114.38 117.31 3m3y h ARG 430 Ca -0.31 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3m3y h ARG 430 Cb 1.97 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.80 3m3y h ARG 430 CO 0.15 0.92 0.00 -0.92 -1.07 0.00 0.00 179.97 179.05 3m3y h TYR 431 N 1.19 0.00 0.08 3.04 3.20 -1.72 -2.63 116.97 120.13 3m3y h TYR 431 Ca 0.28 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.90 3m3y h TYR 431 Cb 0.13 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3m3y h TYR 431 CO 0.02 0.00 -1.15 1.98 -1.64 0.00 0.00 178.16 177.36 3m3y h MET 432 N 0.00 0.17 0.17 1.82 4.05 -1.26 -2.96 114.93 116.93 3m3y h MET 432 Ca 0.00 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 59.12 3m3y h MET 432 Cb 0.28 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 3m3y h MET 432 CO 0.00 1.14 -0.08 1.96 0.23 0.00 0.00 176.91 180.16 3m3y h GLN 433 N 0.05 -0.22 -0.50 0.39 4.20 -1.28 -3.33 115.11 114.42 3m3y h GLN 433 Ca -0.09 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.78 3m3y h GLN 433 Cb 1.90 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.71 3m3y h GLN 433 CO 0.18 0.17 0.42 -0.09 -0.67 0.00 0.00 178.83 178.84 3m3y h ARG 434 N -0.92 0.00 -0.94 1.46 2.43 -1.61 -2.29 114.38 112.51 3m3y h ARG 434 Ca -0.02 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3m3y h ARG 434 Cb 0.49 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.99 3m3y h ARG 434 CO 0.04 0.00 0.62 1.15 -1.51 0.00 0.00 179.97 180.27 3m3y h THR 435 N 0.00 1.18 0.00 0.20 2.02 -1.62 -3.45 112.91 111.24 3m3y h THR 435 Ca 0.24 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3m3y h THR 435 Cb 1.08 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3m3y h THR 435 CO -0.00 0.22 0.00 1.33 0.37 0.00 0.00 175.52 177.44 3m3y n VAL 436 N -4.43 0.00 -2.70 3.16 0.24 -0.86 -5.14 118.33 108.60 3m3y n VAL 436 Ca 0.12 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.36 3m3y n VAL 436 Cb 0.08 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.54 3m3y n VAL 436 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3m3y n GLU 437 N 0.00 1.26 -0.15 7.34 4.71 -1.26 -5.17 120.64 127.37 3m3y n GLU 437 Ca 0.00 -2.29 0.00 0.00 -0.01 0.00 0.00 57.16 54.86 3m3y n GLU 437 Cb 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.98 3m3y n GLU 437 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3m3y n LEU 446 N -0.59 -0.19 -4.17 -4.62 7.94 -1.26 -5.23 117.00 108.87 3m3y n LEU 446 Ca -0.01 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.60 3m3y n LEU 446 Cb 0.84 -0.10 -0.06 0.00 0.53 0.00 0.00 43.42 44.63 3m3y n LEU 446 CO 0.02 0.00 -0.36 0.00 -1.11 0.00 0.00 177.39 175.94 3m3y n ALA 447 N 0.69 -1.97 -2.62 1.96 0.00 -1.26 -4.97 120.51 112.35 3m3y n ALA 447 Ca 0.00 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 3m3y n ALA 447 Cb 0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 3m3y n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3m3y s ILE 448 N -4.15 5.23 -1.05 0.00 -1.09 -1.26 -5.02 121.20 113.86 3m3y s ILE 448 Ca 0.04 0.45 -0.22 0.00 -2.23 0.00 0.00 60.65 58.69 3m3y s ILE 448 Cb -0.02 -3.64 0.05 0.00 -1.58 0.00 0.00 42.46 37.27 3m3y s ILE 448 CO 0.95 0.22 1.48 0.21 -1.23 0.00 0.00 174.94 176.57 3m3y s ASN 449 N 1.50 6.54 0.15 3.58 2.47 -1.26 -4.86 114.94 123.06 3m3y s ASN 449 Ca 0.13 -1.56 -0.19 0.00 0.42 0.00 0.00 52.86 51.66 3m3y s ASN 449 Cb -0.15 -2.57 0.03 0.00 -1.45 0.00 0.00 41.25 37.11 3m3y s ASN 449 CO 0.09 -1.47 1.68 0.00 -3.72 0.00 0.00 177.10 173.68 3m3y h ALA 450 N 9.54 0.18 -0.47 1.71 0.00 -1.97 -2.81 119.26 125.44 3m3y h ALA 450 Ca 0.23 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.39 3m3y h ALA 450 Cb 0.99 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3m3y h ALA 450 CO 1.43 -0.48 0.89 -0.22 0.00 0.00 0.00 179.25 180.87 3m3y h LYS 451 N -0.02 0.00 0.27 0.00 3.64 -1.97 -1.75 116.57 116.75 3m3y h LYS 451 Ca 0.14 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3m3y h LYS 451 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3m3y h LYS 451 CO -0.31 0.00 -0.29 1.15 -2.27 0.00 0.00 179.45 177.73 3m3y h THR 452 N 0.00 0.00 0.00 1.00 2.02 -1.91 -0.26 112.91 113.76 3m3y h THR 452 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 3m3y h THR 452 Cb 1.99 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3m3y h THR 452 CO -0.00 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.51 3m3y n ILE 453 N -4.15 0.00 -0.20 3.11 5.41 -0.68 -1.14 119.36 121.72 3m3y n ILE 453 Ca -0.07 1.47 -0.00 0.00 1.00 0.00 0.00 62.75 65.15 3m3y n ILE 453 Cb 0.27 -2.41 0.03 0.00 -0.71 0.00 0.00 39.64 36.81 3m3y n ILE 453 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3m3y n THR 454 N -2.00 -0.27 0.98 1.39 -1.04 -1.10 0.67 114.28 112.91 3m3y n THR 454 Ca 0.00 1.22 0.11 0.00 -2.04 0.00 0.00 64.05 63.34 3m3y n THR 454 Cb 0.00 -1.62 0.06 0.00 -1.82 0.00 0.00 70.33 66.95 3m3y n THR 454 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3m3y n SER 455 N -4.78 0.75 0.03 8.00 3.41 -0.11 -3.35 113.62 117.58 3m3y n SER 455 Ca 0.06 -0.61 -0.20 0.00 -0.26 0.00 0.00 58.87 57.86 3m3y n SER 455 Cb 0.21 0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 64.70 3m3y n SER 455 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3m3y h GLY 456 N 4.97 0.69 1.92 5.00 0.00 0.18 -2.77 103.07 113.06 3m3y h GLY 456 Ca 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 47.33 46.04 3m3y h GLY 456 CO 0.00 1.08 -0.30 1.41 0.00 0.00 0.00 176.54 178.73 3m3y h LEU 457 N 0.24 0.09 -0.21 3.11 3.38 -1.32 -2.88 115.31 117.72 3m3y h LEU 457 Ca -0.12 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.61 3m3y h LEU 457 Cb 1.61 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 3m3y h LEU 457 CO 0.18 0.39 -0.93 0.11 0.09 0.00 0.00 178.44 178.29 3m3y h LYS 458 N 0.08 0.30 0.07 1.13 1.57 -1.55 -2.72 116.57 115.45 3m3y h LYS 458 Ca 0.01 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3m3y h LYS 458 Cb 0.58 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3m3y h LYS 458 CO 0.04 1.04 -0.03 -0.92 -0.57 0.00 0.00 179.45 179.01 3m3y h TYR 459 N 0.17 -0.08 -0.73 -1.35 3.20 -1.40 0.21 116.97 116.98 3m3y h TYR 459 Ca -0.07 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.85 3m3y h TYR 459 Cb 1.56 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.81 3m3y h TYR 459 CO 0.05 0.34 0.45 0.00 -1.64 0.00 0.00 178.16 177.36 3m3y h ALA 460 N 0.35 0.98 -0.07 1.82 0.00 -1.57 -1.06 119.26 119.71 3m3y h ALA 460 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3m3y h ALA 460 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3m3y h ALA 460 CO 0.01 0.19 -0.57 -0.07 0.00 0.00 0.00 179.25 178.82 3m3y h LEU 461 N 0.85 0.26 -0.08 0.00 -0.00 -1.39 0.19 115.31 115.14 3m3y h LEU 461 Ca 0.31 -0.14 -0.09 0.00 -0.00 0.00 0.00 57.88 57.95 3m3y h LEU 461 Cb 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 3m3y h LEU 461 CO -0.14 0.78 -0.31 0.00 -0.00 0.00 0.00 178.44 178.76 3m3y h ALA 462 N 1.23 0.15 0.01 1.53 0.00 0.19 -3.35 119.26 119.01 3m3y h ALA 462 Ca -0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 3m3y h ALA 462 Cb 1.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3m3y h ALA 462 CO 0.09 0.19 -1.84 0.25 0.00 0.00 0.00 179.25 177.94 3m3y n THR 463 N -4.42 1.60 -2.75 0.00 -2.24 -0.47 -4.99 114.28 101.00 3m3y n THR 463 Ca -0.08 -0.79 -0.07 0.00 -2.27 0.00 0.00 64.05 60.84 3m3y n THR 463 Cb 0.49 -1.04 0.02 0.00 -2.10 0.00 0.00 70.33 67.70 3m3y n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m3y n GLY 464 N 1.64 0.47 3.06 3.38 0.00 0.06 -4.97 105.19 108.82 3m3y n GLY 464 Ca -0.21 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3m3y n GLY 464 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3m3y s ASN 465 N -3.06 5.60 -1.04 1.61 -0.87 -1.23 -3.99 114.94 111.96 3m3y s ASN 465 Ca 0.16 -3.63 -0.26 0.00 -1.57 0.00 0.00 52.86 47.56 3m3y s ASN 465 Cb -0.07 -1.83 -0.20 0.00 -0.02 0.00 0.00 41.25 39.13 3m3y s ASN 465 CO 0.19 -0.19 2.15 0.86 -2.57 0.00 0.00 177.10 177.55 3m3y s TRP 466 N -1.19 1.27 0.00 2.20 -0.11 -1.26 -3.25 118.94 116.60 3m3y s TRP 466 Ca 0.25 2.10 0.00 0.00 1.22 0.00 0.00 56.10 59.67 3m3y s TRP 466 Cb -0.09 -3.40 0.00 0.00 -1.50 0.00 0.00 33.47 28.48 3m3y s TRP 466 CO -0.12 -0.87 0.00 0.41 -4.62 0.00 0.00 176.95 171.75 3m3y n GLY 467 N 6.25 0.00 1.38 5.86 0.00 -1.26 -4.79 105.19 112.62 3m3y n GLY 467 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3m3y n GLY 467 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3m3y n GLU 468 N 0.00 -3.88 -2.14 1.61 0.00 -1.20 -4.62 120.64 110.41 3m3y n GLU 468 Ca 0.00 2.81 -0.09 0.00 0.00 0.00 0.00 57.16 59.87 3m3y n GLU 468 Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 31.44 28.32 3m3y n GLU 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3m3y n GLN 469 N 0.15 -0.96 0.06 5.31 10.64 -1.26 -4.54 117.38 126.77 3m3y n GLN 469 Ca 0.00 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 3m3y n GLN 469 Cb 0.00 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 3m3y n GLN 469 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3m3y n LYS 470 N -1.29 0.00 -0.36 2.61 5.02 -1.26 -5.01 118.16 117.88 3m3y n LYS 470 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3m3y n LYS 470 Cb 0.11 -0.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 3m3y n LYS 470 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3m3y n LYS 471 N -3.17 -0.15 -0.04 1.97 -0.00 -1.26 -4.71 118.16 110.79 3m3y n LYS 471 Ca 0.00 0.03 -0.09 0.00 -0.00 0.00 0.00 58.31 58.25 3m3y n LYS 471 Cb 0.00 -3.38 -0.02 0.00 -0.00 0.00 0.00 35.03 31.63 3m3y n LYS 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3m3y h ALA 472 N 0.00 -0.15 -0.03 0.58 0.00 -1.96 -3.12 119.26 114.58 3m3y h ALA 472 Ca 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3m3y h ALA 472 Cb 0.05 0.49 0.04 0.00 0.00 0.00 0.00 17.79 18.38 3m3y h ALA 472 CO 0.00 -0.67 0.69 -1.33 0.00 0.00 0.00 179.25 177.93 3m3y n MET 473 N -5.37 0.03 0.00 0.00 2.81 -1.26 -4.72 117.12 108.61 3m3y n MET 473 Ca -0.01 -0.87 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 3m3y n MET 473 Cb 0.29 -2.44 0.00 0.00 -0.71 0.00 0.00 33.22 30.35 3m3y n MET 473 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3m3y n SER 474 N 10.94 0.00 0.00 7.83 7.64 -1.18 -3.76 113.62 135.09 3m3y n SER 474 Ca 0.28 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.21 3m3y n SER 474 Cb 0.42 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.93 3m3y n SER 474 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3m3y n SER 475 N 0.01 0.00 -0.12 6.43 7.64 -1.26 -2.49 113.62 123.82 3m3y n SER 475 Ca 0.00 -0.61 0.02 0.00 1.01 0.00 0.00 58.87 59.28 3m3y n SER 475 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 3m3y n SER 475 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3m3y n ARG 476 N -0.84 -0.04 0.00 1.43 1.74 -1.25 -3.01 116.66 114.69 3m3y n ARG 476 Ca 0.08 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 3m3y n ARG 476 Cb 0.04 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3m3y n ARG 476 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m3y n ALA 477 N -3.87 0.00 0.00 7.54 0.00 -1.04 -4.42 120.51 118.72 3m3y n ALA 477 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3m3y n ALA 477 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3m3y n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m3y n GLY 478 N -0.17 0.05 2.60 0.00 0.00 -1.16 -5.05 105.19 101.46 3m3y n GLY 478 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 3m3y n GLY 478 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m3y n VAL 479 N 0.00-11.38 -2.52 1.61 0.31 -1.26 -4.56 118.33 100.53 3m3y n VAL 479 Ca 0.00 2.49 -0.04 0.00 -0.01 0.00 0.00 64.34 66.78 3m3y n VAL 479 Cb 0.00 -5.90 -0.03 0.00 -0.91 0.00 0.00 33.84 27.00 3m3y n VAL 479 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3m3y n SER 480 N 1.86 -3.77 -4.50 4.52 3.41 -1.13 -4.09 113.62 109.92 3m3y n SER 480 Ca -0.30 1.54 -0.24 0.00 -0.26 0.00 0.00 58.87 59.60 3m3y n SER 480 Cb 0.46 -5.15 -0.10 0.00 -0.26 0.00 0.00 64.21 59.16 3m3y n SER 480 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3m3y s GLN 481 N -0.62 1.79 0.32 4.33 -0.21 -0.88 -4.21 119.66 120.19 3m3y s GLN 481 Ca -0.18 -2.02 -0.29 0.00 0.02 0.00 0.00 55.36 52.90 3m3y s GLN 481 Cb 0.01 -1.14 -0.10 0.00 1.00 0.00 0.00 33.01 32.79 3m3y s GLN 481 CO 0.49 -0.17 1.26 0.14 -2.12 0.00 0.00 175.29 174.89 3m3y s VAL 482 N -3.08 2.89 0.26 1.09 -7.23 -1.26 -1.29 120.40 111.78 3m3y s VAL 482 Ca 0.34 0.89 -0.04 0.00 -1.81 0.00 0.00 61.98 61.36 3m3y s VAL 482 Cb 0.08 -3.57 0.06 0.00 0.56 0.00 0.00 36.38 33.52 3m3y s VAL 482 CO 0.16 0.21 0.13 -0.11 -0.31 0.00 0.00 175.10 175.17 3m3y n LEU 483 N 0.86 0.00 -3.62 1.32 0.00 -0.31 -4.76 117.00 110.48 3m3y n LEU 483 Ca -0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 56.01 55.67 3m3y n LEU 483 Cb 0.43 -0.19 -0.16 0.00 0.00 0.00 0.00 43.42 43.49 3m3y n LEU 483 CO 0.58 -1.60 -0.30 0.21 0.00 0.00 0.00 177.39 176.28 3m3y s ASN 484 N -1.77 1.56 -0.29 1.96 3.84 -1.26 -5.00 114.94 113.99 3m3y s ASN 484 Ca 0.10 -0.18 0.08 0.00 0.21 0.00 0.00 52.86 53.07 3m3y s ASN 484 Cb -0.02 -0.02 0.46 0.00 -0.55 0.00 0.00 41.25 41.12 3m3y s ASN 484 CO 0.08 -0.30 1.19 0.54 -2.79 0.00 0.00 177.10 175.82 3m3y n ARG 485 N 5.30 3.44 0.14 0.43 1.74 -1.26 -2.26 116.66 124.19 3m3y n ARG 485 Ca -0.05 -4.10 -0.08 0.00 -0.77 0.00 0.00 57.85 52.85 3m3y n ARG 485 Cb 0.50 -2.22 -0.04 0.00 -1.02 0.00 0.00 32.46 29.68 3m3y n ARG 485 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3m3y h TYR 486 N 2.17 -0.41 -2.78 -1.55 3.20 -1.93 -3.46 116.97 112.21 3m3y h TYR 486 Ca 0.33 -0.01 -0.47 0.00 3.14 0.00 0.00 58.73 61.72 3m3y h TYR 486 Cb 1.51 0.14 -0.14 0.00 1.54 0.00 0.00 36.73 39.77 3m3y h TYR 486 CO 0.83 -0.20 -0.71 0.99 -1.64 0.00 0.00 178.16 177.42 3m3y s THR 487 N -3.18 1.72 0.13 1.81 2.01 -1.26 -4.42 115.64 112.44 3m3y s THR 487 Ca -0.08 -2.19 -0.31 0.00 0.31 0.00 0.00 61.69 59.42 3m3y s THR 487 Cb 0.01 -2.20 -0.08 0.00 0.01 0.00 0.00 72.50 70.23 3m3y s THR 487 CO 0.26 -0.48 1.56 0.22 -0.69 0.00 0.00 174.62 175.49 3m3y h TYR 488 N 2.45 -1.49 0.00 4.92 3.20 -1.73 -0.07 116.97 124.25 3m3y h TYR 488 Ca -0.39 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.55 3m3y h TYR 488 Cb 1.23 0.68 0.00 0.00 1.54 0.00 0.00 36.73 40.18 3m3y h TYR 488 CO 0.70 -0.50 0.00 -1.13 -1.64 0.00 0.00 178.16 175.59 3m3y n SER 489 N -5.42 0.00 -0.12 -2.11 3.41 -1.26 -1.42 113.62 106.70 3m3y n SER 489 Ca -0.04 0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.77 3m3y n SER 489 Cb 0.36 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 3m3y n SER 489 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3m3y h SER 490 N 0.00 0.70 -0.15 4.04 0.87 -1.29 -1.57 113.55 116.15 3m3y h SER 490 Ca 0.00 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 3m3y h SER 490 Cb 0.23 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3m3y h SER 490 CO 0.00 0.91 -0.04 0.74 -0.53 0.00 0.00 176.83 177.91 3m3y h THR 491 N 0.48 1.29 -0.80 2.23 2.02 -0.79 -2.84 112.91 114.51 3m3y h THR 491 Ca 0.09 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.27 3m3y h THR 491 Cb 0.61 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.64 3m3y h THR 491 CO 0.04 0.30 0.52 -0.07 0.37 0.00 0.00 175.52 176.67 3m3y h LEU 492 N -0.01 0.87 -0.88 2.58 3.38 -1.31 -0.85 115.31 119.08 3m3y h LEU 492 Ca 0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3m3y h LEU 492 Cb 0.48 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3m3y h LEU 492 CO 0.02 0.61 0.36 -1.28 0.09 0.00 0.00 178.44 178.24 3m3y h SER 493 N 1.03 1.07 1.12 -0.43 0.87 -1.35 -3.28 113.55 112.58 3m3y h SER 493 Ca 0.31 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.60 3m3y h SER 493 Cb -0.04 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 3m3y h SER 493 CO -0.09 0.92 -0.59 -0.74 -0.53 0.00 0.00 176.83 175.79 3m3y h HIS 494 N 1.16 0.00 0.00 2.24 -0.00 -0.93 -2.00 115.15 115.62 3m3y h HIS 494 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3m3y h HIS 494 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 3m3y h HIS 494 CO 0.02 0.59 0.00 -0.07 -0.00 0.00 0.00 177.93 178.47 3m3y h LEU 495 N 0.00 0.00 -3.90 0.26 3.38 -1.41 -3.27 115.31 110.36 3m3y h LEU 495 Ca -0.01 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 3m3y h LEU 495 Cb 1.32 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.65 3m3y h LEU 495 CO 0.08 0.00 -0.65 0.54 0.09 0.00 0.00 178.44 178.50 3m3y n ARG 496 N -2.66 3.51 -3.87 1.13 1.74 -0.75 -4.93 116.66 110.82 3m3y n ARG 496 Ca 0.02 -4.15 -0.21 0.00 -0.77 0.00 0.00 57.85 52.75 3m3y n ARG 496 Cb 0.34 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.48 3m3y n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3m3y s ARG 497 N -3.62 3.17 0.05 5.56 3.52 -1.23 -1.13 118.95 125.28 3m3y s ARG 497 Ca 0.52 -0.94 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 3m3y s ARG 497 Cb 0.42 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 31.03 3m3y s ARG 497 CO -0.01 0.30 -0.16 0.99 -0.81 0.00 0.00 175.30 175.62 3m3y s THR 498 N -2.10 1.29 0.04 4.11 2.01 0.48 -2.98 115.64 118.49 3m3y s THR 498 Ca 0.37 -1.17 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3m3y s THR 498 Cb -0.08 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 3m3y s THR 498 CO 0.28 -0.01 -0.07 0.21 -0.69 0.00 0.00 174.62 174.34 3m3y s ASN 499 N -1.36 0.71 -0.08 3.53 2.47 0.18 -2.43 114.94 117.95 3m3y s ASN 499 Ca 0.03 -0.51 -0.03 0.00 0.42 0.00 0.00 52.86 52.76 3m3y s ASN 499 Cb -0.09 0.04 0.04 0.00 -1.45 0.00 0.00 41.25 39.80 3m3y s ASN 499 CO 0.02 -0.21 0.07 -0.89 -3.72 0.00 0.00 177.10 172.37 3m3y s THR 500 N -1.33 -0.11 0.99 -5.21 2.01 -1.17 -0.75 115.64 110.07 3m3y s THR 500 Ca -0.11 0.24 -0.16 0.00 0.31 0.00 0.00 61.69 61.98 3m3y s THR 500 Cb -0.10 -0.29 0.20 0.00 0.01 0.00 0.00 72.50 72.32 3m3y s THR 500 CO 0.00 0.03 1.25 -2.84 -0.69 0.00 0.00 174.62 172.38 3m3y s PRO 501 N 2.16 0.48 6.83 4.92 0.02 -1.26 -4.86 135.00 143.29 3m3y s PRO 501 Ca 0.04 -0.23 0.00 0.00 0.02 0.00 0.00 61.00 60.83 3m3y s PRO 501 Cb -0.13 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3m3y s PRO 501 CO -0.05 -2.55 0.00 -0.89 -0.33 0.00 0.00 177.00 173.18 3m3y n ILE 502 N -3.90 0.00 0.74 2.83 5.41 -1.26 -5.15 119.36 118.03 3m3y n ILE 502 Ca 0.13 0.00 0.13 0.00 1.00 0.00 0.00 62.75 64.01 3m3y n ILE 502 Cb 0.60 0.00 0.44 0.00 -0.71 0.00 0.00 39.64 39.96 3m3y n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3m3y n ALA 509 N 10.11 2.40 -3.11 -1.39 0.00 -1.26 -5.17 120.51 122.09 3m3y n ALA 509 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 3m3y n ALA 509 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 3m3y n ALA 509 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3m3y n LYS 510 N -2.02 2.03 0.18 0.00 5.02 -1.26 -4.98 118.16 117.14 3m3y n LYS 510 Ca 0.06 -4.10 0.07 0.00 -2.02 0.00 0.00 58.31 52.31 3m3y n LYS 510 Cb 0.40 -1.93 0.21 0.00 -0.02 0.00 0.00 35.03 33.69 3m3y n LYS 510 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3m3y h PRO 511 N 3.20 0.00 0.00 1.97 0.13 -1.98 -3.20 132.00 132.12 3m3y h PRO 511 Ca 0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.08 3m3y h PRO 511 Cb 0.74 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 3m3y h PRO 511 CO 0.66 0.32 -0.83 0.00 -0.23 0.00 0.00 178.00 177.92 3m3y h ARG 512 N 0.00 0.00 -6.64 0.86 3.08 -1.84 -3.44 114.38 106.40 3m3y h ARG 512 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3m3y h ARG 512 Cb 1.09 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.22 3m3y h ARG 512 CO 0.04 0.78 0.69 0.94 -1.07 0.00 0.00 179.97 181.35 3m3y n GLN 513 N -3.29 2.21 -2.26 0.04 -0.06 -1.21 -4.40 117.38 108.41 3m3y n GLN 513 Ca 0.00 0.79 -0.43 0.00 -2.00 0.00 0.00 57.00 55.36 3m3y n GLN 513 Cb 0.86 -2.48 -0.02 0.00 -4.06 0.00 0.00 30.24 24.54 3m3y n GLN 513 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3m3y s LEU 514 N -0.03 3.83 -0.01 1.69 2.96 -1.26 -4.99 118.68 120.87 3m3y s LEU 514 Ca 0.67 1.34 -0.03 0.00 -0.22 0.00 0.00 54.13 55.89 3m3y s LEU 514 Cb -0.61 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.50 3m3y s LEU 514 CO 0.49 -1.23 0.18 -2.28 -1.32 0.00 0.00 176.35 172.19 3m3y s HIS 515 N 5.00 3.55 0.23 5.38 5.65 -1.26 -5.00 115.29 128.83 3m3y s HIS 515 Ca 0.65 0.37 -0.15 0.00 0.25 0.00 0.00 55.06 56.17 3m3y s HIS 515 Cb -0.20 -1.84 0.26 0.00 -1.18 0.00 0.00 32.58 29.62 3m3y s HIS 515 CO 0.27 0.65 1.58 -0.91 -0.65 0.00 0.00 174.74 175.68 3m3y h ASN 516 N 3.86 -1.07 0.00 9.88 2.35 -1.94 0.10 115.58 128.77 3m3y h ASN 516 Ca -0.49 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3m3y h ASN 516 Cb 1.19 0.60 0.00 0.00 0.05 0.00 0.00 38.32 40.16 3m3y h ASN 516 CO 0.69 -0.29 0.17 0.71 -1.65 0.00 0.00 177.43 177.06 3m3y h THR 517 N -0.05 0.00 0.00 2.81 1.35 -1.94 -1.14 112.91 113.93 3m3y h THR 517 Ca 0.34 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.20 3m3y h THR 517 Cb 0.59 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3m3y h THR 517 CO -0.84 0.00 -0.00 0.45 -0.25 0.00 0.00 175.52 174.87 3m3y h HIS 518 N 0.00 0.00 -0.05 4.73 3.86 -1.16 -3.44 115.15 119.08 3m3y h HIS 518 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 3m3y h HIS 518 Cb 0.35 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.76 3m3y h HIS 518 CO 0.00 0.00 1.48 1.87 0.86 0.00 0.00 177.93 182.15 3m3y n TRP 519 N -3.12 0.96 -0.44 2.45 -0.00 -0.44 -1.13 117.44 115.71 3m3y n TRP 519 Ca -0.02 0.61 0.00 0.00 -0.00 0.00 0.00 57.50 58.08 3m3y n TRP 519 Cb 0.11 -2.33 0.00 0.00 -0.00 0.00 0.00 31.31 29.08 3m3y n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m3y n GLY 520 N 7.09 1.10 0.46 5.87 0.00 -1.26 -4.78 105.19 113.66 3m3y n GLY 520 Ca 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.46 3m3y n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m3y n LEU 521 N 0.00 1.40 -4.57 0.99 4.77 -0.29 -4.52 117.00 114.78 3m3y n LEU 521 Ca 0.00 0.13 -0.31 0.00 -0.03 0.00 0.00 56.01 55.80 3m3y n LEU 521 Cb 0.00 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 3m3y n LEU 521 CO 0.00 0.39 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.34 3m3y s VAL 522 N -2.27 3.42 0.13 4.08 1.01 -0.88 -0.35 120.40 125.52 3m3y s VAL 522 Ca -0.20 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 3m3y s VAL 522 Cb 0.07 -2.53 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 3m3y s VAL 522 CO 0.27 0.26 1.14 0.00 0.00 0.00 0.00 175.10 176.76 3m3y n PRO 524 N 3.02 0.22 -0.07 0.00 -0.04 -1.26 -4.19 135.00 132.68 3m3y n PRO 524 Ca 0.05 0.26 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 3m3y n PRO 524 Cb 0.46 -1.79 -0.07 0.00 -0.04 0.00 0.00 33.50 32.06 3m3y n PRO 524 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3m3y n ALA 525 N -1.75 1.71 -2.61 0.55 0.00 -1.26 -4.90 120.51 112.25 3m3y n ALA 525 Ca 0.05 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 3m3y n ALA 525 Cb 0.36 0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3m3y n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3m3y s GLU 526 N -2.27 3.30 0.12 0.00 2.12 -1.26 -4.23 118.70 116.48 3m3y s GLU 526 Ca -0.16 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.48 3m3y s GLU 526 Cb 0.04 -4.52 -0.00 0.00 0.26 0.00 0.00 34.13 29.91 3m3y s GLU 526 CO 0.34 -2.11 0.24 -0.08 -0.54 0.00 0.00 175.26 173.11 3m3y s THR 527 N 5.21 0.11 0.83 -1.70 -1.32 -1.26 -3.97 115.64 113.54 3m3y s THR 527 Ca 0.36 -1.21 -0.12 0.00 -1.21 0.00 0.00 61.69 59.51 3m3y s THR 527 Cb -0.07 -1.51 0.09 0.00 -1.51 0.00 0.00 72.50 69.50 3m3y s THR 527 CO 0.07 -0.50 1.13 -2.84 -2.21 0.00 0.00 174.62 170.26 3m3y s PRO 528 N -3.89 1.82 0.42 7.08 0.02 -1.26 -4.76 135.00 134.42 3m3y s PRO 528 Ca 0.09 0.39 0.04 0.00 0.02 0.00 0.00 61.00 61.54 3m3y s PRO 528 Cb 0.04 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3m3y s PRO 528 CO -0.07 -1.75 0.60 -1.21 -0.33 0.00 0.00 177.00 174.24 3m3y s GLU 529 N -5.31 2.97 2.71 5.54 2.02 -1.26 -4.13 118.70 121.25 3m3y s GLU 529 Ca 0.62 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.78 3m3y s GLU 529 Cb -0.13 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3m3y s GLU 529 CO 0.53 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 176.00 3m3y n GLY 530 N -1.92 0.39 2.20 -1.39 0.00 -1.26 -4.27 105.19 98.94 3m3y n GLY 530 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3m3y n GLY 530 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m3y n GLN 531 N -0.40 0.00 -0.27 1.61 6.02 -1.26 0.46 117.38 123.54 3m3y n GLN 531 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3m3y n GLN 531 Cb 0.00 0.00 0.14 0.00 1.02 0.00 0.00 30.24 31.40 3m3y n GLN 531 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m3y n ALA 532 N 1.64 2.84 -2.14 -1.58 0.00 -1.26 -4.95 120.51 115.06 3m3y n ALA 532 Ca 0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 53.44 52.41 3m3y n ALA 532 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 3m3y n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m3y n GLY 534 N 5.52 0.52 0.13 0.00 0.00 -1.26 -4.70 105.19 105.40 3m3y n GLY 534 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3m3y n GLY 534 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m3y n LEU 535 N 0.00 2.82 -4.62 0.99 4.77 -1.01 -4.44 117.00 115.52 3m3y n LEU 535 Ca 0.00 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 3m3y n LEU 535 Cb 0.00 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.09 3m3y n LEU 535 CO 0.00 0.89 0.50 -0.69 -1.33 0.00 0.00 177.39 176.75 3m3y s VAL 536 N -2.52 4.90 0.35 4.08 1.01 -1.00 -3.02 120.40 124.19 3m3y s VAL 536 Ca -0.33 1.22 0.09 0.00 0.00 0.00 0.00 61.98 62.97 3m3y s VAL 536 Cb 0.09 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3m3y s VAL 536 CO 0.62 -0.07 -0.09 -0.54 0.00 0.00 0.00 175.10 175.02 3m3y s LYS 537 N 2.70 1.82 -0.03 2.72 1.02 -1.02 -4.42 119.74 122.52 3m3y s LYS 537 Ca 0.30 -1.94 0.07 0.00 0.02 0.00 0.00 55.97 54.41 3m3y s LYS 537 Cb -0.15 -1.67 -0.02 0.00 -0.52 0.00 0.00 37.83 35.47 3m3y s LYS 537 CO 0.09 0.12 -0.25 -0.80 -0.92 0.00 0.00 175.35 173.60 3m3y s ASN 538 N -3.61 2.94 0.29 2.83 0.01 -1.25 -0.39 114.94 115.76 3m3y s ASN 538 Ca 0.33 -0.47 -0.29 0.00 -0.71 0.00 0.00 52.86 51.72 3m3y s ASN 538 Cb 0.03 -0.50 -0.10 0.00 0.41 0.00 0.00 41.25 41.09 3m3y s ASN 538 CO 0.16 0.28 1.43 -0.76 -1.51 0.00 0.00 177.10 176.71 3m3y s LEU 539 N -0.43 4.38 0.73 0.60 1.43 -0.28 -1.84 118.68 123.26 3m3y s LEU 539 Ca 0.05 2.76 -0.11 0.00 -1.03 0.00 0.00 54.13 55.80 3m3y s LEU 539 Cb -0.11 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.50 3m3y s LEU 539 CO 0.01 -0.71 1.07 -0.94 0.23 0.00 0.00 176.35 176.00 3m3y s SER 540 N 0.10 5.12 0.31 2.29 1.04 0.52 -4.43 113.70 118.66 3m3y s SER 540 Ca 0.56 1.51 0.06 0.00 0.48 0.00 0.00 55.95 58.56 3m3y s SER 540 Cb -0.43 -2.35 0.73 0.00 0.10 0.00 0.00 66.02 64.08 3m3y s SER 540 CO 0.49 -1.60 1.81 -0.07 0.98 0.00 0.00 173.24 174.86 3m3y h LEU 541 N -0.83 0.78 -2.29 2.42 3.38 -1.43 -2.38 115.31 114.97 3m3y h LEU 541 Ca -0.45 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3m3y h LEU 541 Cb 1.23 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3m3y h LEU 541 CO 0.58 0.34 0.00 0.23 0.09 0.00 0.00 178.44 179.68 3m3y n MET 542 N -4.67 2.22 -3.22 1.13 2.81 -1.26 -4.97 117.12 109.16 3m3y n MET 542 Ca 0.21 -2.04 -0.36 0.00 -1.81 0.00 0.00 57.70 53.70 3m3y n MET 542 Cb 0.51 -1.41 -0.06 0.00 -0.71 0.00 0.00 33.22 31.55 3m3y n MET 542 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3m3y s SER 543 N -1.27 6.96 0.23 7.83 1.04 -0.90 -4.32 113.70 123.27 3m3y s SER 543 Ca 0.31 1.26 0.01 0.00 0.48 0.00 0.00 55.95 58.01 3m3y s SER 543 Cb 0.18 -2.36 -0.05 0.00 0.10 0.00 0.00 66.02 63.89 3m3y s SER 543 CO 0.25 0.07 0.08 0.00 0.98 0.00 0.00 173.24 174.62 3m3y s ILE 545 N -3.78 2.67 0.76 0.00 1.09 -1.26 -1.87 121.20 118.81 3m3y s ILE 545 Ca 0.35 -0.87 -0.14 0.00 -1.10 0.00 0.00 60.65 58.89 3m3y s ILE 545 Cb 0.07 -2.01 0.06 0.00 -1.06 0.00 0.00 42.46 39.52 3m3y s ILE 545 CO 0.11 0.58 1.20 -0.94 -0.10 0.00 0.00 174.94 175.79 3m3y s SER 546 N -0.62 3.99 -0.09 3.58 1.04 -0.17 -4.87 113.70 116.57 3m3y s SER 546 Ca 0.09 2.32 0.07 0.00 0.48 0.00 0.00 55.95 58.91 3m3y s SER 546 Cb -0.11 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.32 3m3y s SER 546 CO 0.00 -2.40 0.02 0.52 0.98 0.00 0.00 173.24 172.36 3m3y n VAL 547 N -2.99 0.62 0.00 5.02 0.31 -1.26 -2.13 118.33 117.90 3m3y n VAL 547 Ca 0.13 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3m3y n VAL 547 Cb 0.51 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 3m3y n VAL 547 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3m3y n GLY 548 N 2.51 3.19 3.39 2.92 0.00 -1.26 -4.63 105.19 111.30 3m3y n GLY 548 Ca -0.15 -1.38 -0.19 0.00 0.00 0.00 0.00 46.02 44.29 3m3y n GLY 548 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m3y s THR 549 N -0.21 1.38 -0.14 2.61 2.01 -1.20 -4.98 115.64 115.11 3m3y s THR 549 Ca 0.00 -2.08 -0.22 0.00 0.31 0.00 0.00 61.69 59.70 3m3y s THR 549 Cb 0.00 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 3m3y s THR 549 CO 0.00 -0.31 0.65 -0.62 -0.69 0.00 0.00 174.62 173.65 3m3y s ASP 550 N -3.38 6.81 0.37 3.53 2.15 -1.26 -4.73 116.67 120.15 3m3y s ASP 550 Ca 0.29 0.97 0.20 0.00 0.43 0.00 0.00 52.55 54.44 3m3y s ASP 550 Cb 0.05 -2.37 0.25 0.00 -0.30 0.00 0.00 42.92 40.55 3m3y s ASP 550 CO 0.10 -0.20 1.55 1.55 -0.17 0.00 0.00 175.17 178.01 3m3y h PRO 551 N 7.14 0.00 -0.18 4.34 0.13 -2.00 -3.37 132.00 138.05 3m3y h PRO 551 Ca -0.35 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.83 3m3y h PRO 551 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3m3y h PRO 551 CO 0.77 0.21 0.34 0.00 -0.23 0.00 0.00 178.00 179.09 3m3y h MET 552 N 0.00 0.00 0.04 0.86 -0.00 -2.00 0.27 114.93 114.10 3m3y h MET 552 Ca -0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.45 3m3y h MET 552 Cb 1.15 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.73 3m3y h MET 552 CO 0.03 0.00 -1.24 -1.00 -0.00 0.00 0.00 176.91 174.70 3m3y h PRO 553 N 0.00 0.09 0.65 -0.10 0.13 -1.99 -2.94 132.00 127.84 3m3y h PRO 553 Ca 0.08 -0.16 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3m3y h PRO 553 Cb 0.76 0.06 0.01 0.00 0.13 0.00 0.00 31.00 31.96 3m3y h PRO 553 CO -0.00 0.99 -0.31 0.82 -0.23 0.00 0.00 178.00 179.26 3m3y h ILE 554 N 0.03 0.20 -0.16 -3.56 1.08 -0.73 -0.84 117.51 113.54 3m3y h ILE 554 Ca -0.11 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.08 3m3y h ILE 554 Cb 1.89 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.88 3m3y h ILE 554 CO 0.14 0.02 -0.09 -0.38 -0.69 0.00 0.00 178.15 177.15 3m3y n ILE 555 N -5.39 -0.11 -0.31 -0.67 2.08 -0.93 -0.57 119.36 113.47 3m3y n ILE 555 Ca -0.12 1.05 0.13 0.00 0.56 0.00 0.00 62.75 64.37 3m3y n ILE 555 Cb 0.37 -1.36 0.28 0.00 -0.75 0.00 0.00 39.64 38.17 3m3y n ILE 555 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 3m3y h THR 556 N 0.00 0.20 0.51 1.39 2.02 -1.46 -1.09 112.91 114.48 3m3y h THR 556 Ca 0.02 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3m3y h THR 556 Cb 0.06 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 3m3y h THR 556 CO -0.15 0.02 -0.24 0.15 0.37 0.00 0.00 175.52 175.67 3m3y h PHE 557 N 0.11 -0.63 -0.38 3.16 3.57 0.67 -3.16 116.94 120.28 3m3y h PHE 557 Ca 0.56 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.08 3m3y h PHE 557 Cb 1.14 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 3m3y h PHE 557 CO -0.36 -0.33 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.05 3m3y h LEU 558 N -0.84 -0.97 0.00 0.59 3.38 -0.38 0.48 115.31 117.58 3m3y h LEU 558 Ca -0.07 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3m3y h LEU 558 Cb 0.59 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3m3y h LEU 558 CO 0.11 -0.13 0.00 -1.54 0.09 0.00 0.00 178.44 176.98 3m3y n SER 559 N -4.02 0.00 -2.14 -0.43 3.41 -0.49 -0.71 113.62 109.24 3m3y n SER 559 Ca 0.00 0.08 -0.25 0.00 -0.26 0.00 0.00 58.87 58.44 3m3y n SER 559 Cb 0.13 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3m3y n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m3y n GLU 560 N -1.06 3.53 -1.30 4.33 1.02 0.16 -4.59 120.64 122.73 3m3y n GLU 560 Ca 0.00 -4.19 -0.03 0.00 -0.02 0.00 0.00 57.16 52.93 3m3y n GLU 560 Cb 0.00 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 3m3y n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3m3y n TRP 561 N -0.67 -0.44 0.00 -0.32 7.02 0.11 -5.01 117.44 118.13 3m3y n TRP 561 Ca 0.44 -0.54 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 3m3y n TRP 561 Cb 0.88 0.67 0.00 0.00 -2.42 0.00 0.00 31.31 30.44 3m3y n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3m3y n GLY 562 N -0.33 0.72 3.48 6.99 0.00 -1.25 -4.93 105.19 109.87 3m3y n GLY 562 Ca -0.14 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 3m3y n GLY 562 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3m3y n MET 563 N 0.00 -1.87 -2.08 1.61 0.00 -1.26 -4.71 117.12 108.81 3m3y n MET 563 Ca 0.00 1.36 -0.41 0.00 0.00 0.00 0.00 57.70 58.65 3m3y n MET 563 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 33.22 30.52 3m3y n MET 563 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3m3y s GLU 564 N -3.07 4.33 0.65 2.12 2.02 -0.57 -4.55 118.70 119.63 3m3y s GLU 564 Ca 0.27 2.25 -0.17 0.00 0.02 0.00 0.00 54.97 57.34 3m3y s GLU 564 Cb -0.03 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 3m3y s GLU 564 CO 0.86 -0.23 1.22 -2.14 0.02 0.00 0.00 175.26 174.99 3m3y s PRO 565 N -1.73 2.63 0.38 0.39 0.02 -1.26 -2.54 135.00 132.89 3m3y s PRO 565 Ca 0.50 1.84 0.19 0.00 0.02 0.00 0.00 61.00 63.54 3m3y s PRO 565 Cb -0.40 -1.88 0.70 0.00 0.02 0.00 0.00 34.50 32.94 3m3y s PRO 565 CO 0.53 -1.48 1.75 1.25 -0.33 0.00 0.00 177.00 178.72 3m3y h LEU 566 N 0.43 0.00 0.00 -5.54 5.85 -1.89 -2.34 115.31 111.81 3m3y h LEU 566 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3m3y h LEU 566 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3m3y h LEU 566 CO 0.53 0.37 0.00 -1.84 -0.34 0.00 0.00 178.44 177.16 3m3y n GLU 567 N -3.57 0.10 -0.07 1.25 0.00 -1.26 -2.74 120.64 114.34 3m3y n GLU 567 Ca -0.00 0.21 0.03 0.00 0.00 0.00 0.00 57.16 57.40 3m3y n GLU 567 Cb 0.50 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.50 3m3y n GLU 567 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3m3y n ASP 568 N -1.39 2.34 -4.77 -1.84 8.00 -0.88 -5.05 116.55 112.95 3m3y n ASP 568 Ca 0.05 -2.20 -0.38 0.00 0.71 0.00 0.00 54.79 52.97 3m3y n ASP 568 Cb 0.13 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.03 3m3y n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3m3y s TYR 569 N -1.35 3.79 -0.41 1.24 5.04 -1.11 -4.98 117.35 119.58 3m3y s TYR 569 Ca 0.11 1.80 0.08 0.00 -2.44 0.00 0.00 57.07 56.63 3m3y s TYR 569 Cb 0.08 -2.92 0.26 0.00 0.35 0.00 0.00 41.96 39.73 3m3y s TYR 569 CO 0.04 0.31 0.63 1.33 -1.34 0.00 0.00 175.55 176.52 3m3y n VAL 570 N 0.90 -0.50 -0.31 3.14 0.24 -1.26 -5.03 118.33 115.51 3m3y n VAL 570 Ca 0.00 -3.54 0.17 0.00 -2.04 0.00 0.00 64.34 58.93 3m3y n VAL 570 Cb 0.49 -1.05 0.43 0.00 -1.47 0.00 0.00 33.84 32.24 3m3y n VAL 570 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3m3y h PRO 571 N 3.87 0.54 -0.16 7.34 0.11 -1.88 0.19 132.00 142.01 3m3y h PRO 571 Ca 0.03 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3m3y h PRO 571 Cb 0.92 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3m3y h PRO 571 CO 0.43 0.36 0.02 1.12 -0.21 0.00 0.00 178.00 179.72 3m3y h HIS 572 N 0.56 0.21 -0.35 0.65 2.07 -1.89 -2.89 115.15 113.51 3m3y h HIS 572 Ca 0.54 -0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 58.03 3m3y h HIS 572 Cb 1.12 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 31.02 3m3y h HIS 572 CO -0.00 0.21 0.01 0.00 -3.07 0.00 0.00 177.93 175.08 3m3y n GLN 573 N -4.43 3.27 -2.72 5.12 10.64 0.67 -4.54 117.38 125.40 3m3y n GLN 573 Ca -0.01 -2.94 -0.08 0.00 -1.83 0.00 0.00 57.00 52.14 3m3y n GLN 573 Cb 0.15 -1.95 0.09 0.00 -0.86 0.00 0.00 30.24 27.67 3m3y n GLN 573 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3m3y n SER 574 N -0.32 -2.22 0.11 2.61 7.64 -1.09 -5.02 113.62 115.32 3m3y n SER 574 Ca 0.25 -3.27 0.12 0.00 1.01 0.00 0.00 58.87 56.98 3m3y n SER 574 Cb 0.99 1.75 0.45 0.00 -1.01 0.00 0.00 64.21 66.40 3m3y n SER 574 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3m3y n PRO 575 N 0.63 0.20 -3.47 1.43 -0.05 -1.22 -3.99 135.00 128.54 3m3y n PRO 575 Ca 0.04 0.31 -0.27 0.00 -0.05 0.00 0.00 63.50 63.53 3m3y n PRO 575 Cb 0.70 -1.80 -0.10 0.00 -0.05 0.00 0.00 33.50 32.25 3m3y n PRO 575 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 3m3y n ASP 576 N -2.17 0.70 -3.63 3.54 3.85 -1.26 -5.00 116.55 112.58 3m3y n ASP 576 Ca 0.04 -2.69 -0.24 0.00 -0.71 0.00 0.00 54.79 51.19 3m3y n ASP 576 Cb 0.31 -0.62 -0.17 0.00 -1.35 0.00 0.00 41.12 39.29 3m3y n ASP 576 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3m3y s ALA 577 N -0.68 0.40 0.06 2.12 0.00 -1.26 -4.88 121.76 117.52 3m3y s ALA 577 Ca 0.32 -0.18 -0.35 0.00 0.00 0.00 0.00 51.96 51.75 3m3y s ALA 577 Cb 0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 23.12 22.11 3m3y s ALA 577 CO -0.16 -0.98 1.60 2.41 0.00 0.00 0.00 175.76 178.62 3m3y n THR 578 N 5.27 0.14 -3.27 0.00 -1.04 -0.54 -4.59 114.28 110.26 3m3y n THR 578 Ca -0.06 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.57 3m3y n THR 578 Cb 0.49 -1.42 -0.06 0.00 -1.82 0.00 0.00 70.33 67.53 3m3y n THR 578 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m3y s ARG 579 N 1.68 4.06 -0.14 -2.82 1.70 -1.12 -0.33 118.95 121.98 3m3y s ARG 579 Ca 0.85 0.60 0.01 0.00 -0.47 0.00 0.00 55.73 56.72 3m3y s ARG 579 Cb -0.78 -2.89 -0.00 0.00 -0.57 0.00 0.00 34.95 30.72 3m3y s ARG 579 CO 0.45 0.43 -0.18 0.08 -1.08 0.00 0.00 175.30 175.00 3m3y s VAL 580 N -1.52 2.46 0.09 4.99 1.01 0.65 -1.20 120.40 126.90 3m3y s VAL 580 Ca 0.40 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.63 3m3y s VAL 580 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3m3y s VAL 580 CO 0.20 0.53 -0.27 -0.36 0.00 0.00 0.00 175.10 175.20 3m3y s PHE 581 N 0.64 2.32 -0.08 5.22 0.40 -0.55 -1.49 117.98 124.43 3m3y s PHE 581 Ca -0.10 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.84 3m3y s PHE 581 Cb -0.16 -1.31 0.02 0.00 0.51 0.00 0.00 43.02 42.08 3m3y s PHE 581 CO 0.02 0.25 -0.05 0.08 0.70 0.00 0.00 175.22 176.22 3m3y s VAL 582 N -0.96 0.76 -0.98 -0.44 1.01 -0.23 -1.39 120.40 118.18 3m3y s VAL 582 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3m3y s VAL 582 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.47 3m3y s VAL 582 CO 0.04 0.31 0.00 0.59 0.00 0.00 0.00 175.10 176.04 3m3y n ASN 583 N 4.69 -3.34 0.00 3.32 3.02 -0.80 -0.46 115.26 121.69 3m3y n ASN 583 Ca -0.15 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3m3y n ASN 583 Cb 0.50 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.79 3m3y n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3m3y n GLY 584 N -0.02 1.16 3.73 7.41 0.00 -1.26 -4.81 105.19 111.41 3m3y n GLY 584 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3m3y n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m3y s VAL 585 N -2.22 4.73 -0.41 1.61 1.01 0.40 -4.95 120.40 120.58 3m3y s VAL 585 Ca 0.00 1.83 -0.20 0.00 0.00 0.00 0.00 61.98 63.61 3m3y s VAL 585 Cb 0.00 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.19 3m3y s VAL 585 CO 0.00 0.29 0.58 0.86 0.00 0.00 0.00 175.10 176.83 3m3y s TRP 586 N 0.30 3.11 -0.97 5.22 -0.00 -1.26 -1.07 118.94 124.28 3m3y s TRP 586 Ca 0.44 -0.03 0.24 0.00 -0.00 0.00 0.00 56.10 56.75 3m3y s TRP 586 Cb -0.21 -3.16 0.34 0.00 -0.00 0.00 0.00 33.47 30.44 3m3y s TRP 586 CO 0.25 -0.75 1.30 0.72 -0.00 0.00 0.00 176.95 178.47 3m3y n HIS 587 N 6.02 0.03 -0.39 5.86 8.25 -0.55 -4.89 115.22 129.55 3m3y n HIS 587 Ca -0.03 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3m3y n HIS 587 Cb 0.48 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3m3y n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m3y n GLY 588 N 1.49 0.80 3.47 -1.41 0.00 -1.22 -3.29 105.19 105.03 3m3y n GLY 588 Ca 0.05 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 3m3y n GLY 588 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3m3y s VAL 589 N -2.58 1.72 -0.09 1.61 -7.23 -1.05 -0.25 120.40 112.53 3m3y s VAL 589 Ca 0.00 -2.11 -0.08 0.00 -1.81 0.00 0.00 61.98 57.98 3m3y s VAL 589 Cb 0.00 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.40 3m3y s VAL 589 CO 0.00 -0.22 0.24 -2.28 -0.31 0.00 0.00 175.10 172.52 3m3y s HIS 590 N -2.95 -0.26 -0.30 2.82 2.46 0.56 -1.52 115.29 116.10 3m3y s HIS 590 Ca 0.31 0.64 0.02 0.00 0.47 0.00 0.00 55.06 56.50 3m3y s HIS 590 Cb 0.05 0.09 0.07 0.00 -0.13 0.00 0.00 32.58 32.65 3m3y s HIS 590 CO 0.14 -0.13 -0.03 -0.98 -2.47 0.00 0.00 174.74 171.27 3m3y s ARG 591 N 0.17 2.05 0.00 2.88 1.70 -1.26 -1.46 118.95 123.03 3m3y s ARG 591 Ca -0.00 -1.51 0.00 0.00 -0.47 0.00 0.00 55.73 53.75 3m3y s ARG 591 Cb -0.02 -3.07 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 3m3y s ARG 591 CO -0.00 -0.71 0.00 -1.71 -1.08 0.00 0.00 175.30 171.80 3m3y n ASN 592 N 4.43 0.00 0.23 -2.89 2.85 -1.26 -5.01 115.26 113.61 3m3y n ASN 592 Ca -0.08 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.51 3m3y n ASN 592 Cb 0.42 0.00 0.31 0.00 1.24 0.00 0.00 39.78 41.75 3m3y n ASN 592 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3m3y h PRO 593 N 0.00 0.00 -0.69 1.20 0.14 -1.96 -3.29 132.00 127.40 3m3y h PRO 593 Ca 0.00 0.00 0.07 0.00 0.14 0.00 0.00 66.00 66.21 3m3y h PRO 593 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 31.08 3m3y h PRO 593 CO 0.00 0.05 0.37 0.00 0.14 0.00 0.00 178.00 178.56 3m3y h ALA 594 N 1.95 0.94 0.16 -0.56 0.00 -1.97 -0.01 119.26 119.76 3m3y h ALA 594 Ca -0.00 0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 3m3y h ALA 594 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3m3y h ALA 594 CO 0.01 0.02 -1.64 -0.09 0.00 0.00 0.00 179.25 177.55 3m3y h ARG 595 N 0.66 0.33 -0.29 0.00 2.43 -1.99 -3.11 114.38 112.41 3m3y h ARG 595 Ca 0.32 -0.57 0.05 0.00 -0.81 0.00 0.00 59.98 58.97 3m3y h ARG 595 Cb 0.25 0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 29.94 3m3y h ARG 595 CO -0.21 1.27 -0.49 1.25 -1.51 0.00 0.00 179.97 180.28 3m3y h LEU 596 N -0.05 -1.60 -1.30 3.80 5.85 -1.60 0.73 115.31 121.13 3m3y h LEU 596 Ca -0.33 0.21 0.14 0.00 0.84 0.00 0.00 57.88 58.74 3m3y h LEU 596 Cb 1.97 0.66 -0.07 0.00 0.37 0.00 0.00 40.66 43.59 3m3y h LEU 596 CO 0.13 -0.42 0.57 -0.03 -0.34 0.00 0.00 178.44 178.35 3m3y h MET 597 N -0.44 0.67 -0.04 1.25 4.05 -1.12 0.25 114.93 119.55 3m3y h MET 597 Ca 0.08 -0.04 -0.18 0.00 -0.28 0.00 0.00 59.70 59.29 3m3y h MET 597 Cb 0.62 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 3m3y h MET 597 CO -0.52 0.44 -0.75 1.49 0.23 0.00 0.00 176.91 177.81 3m3y h GLU 598 N 0.69 0.26 -0.12 0.39 4.81 -1.35 -1.72 114.58 117.55 3m3y h GLU 598 Ca 0.44 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 3m3y h GLU 598 Cb 0.70 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 3m3y h GLU 598 CO -0.20 0.89 -0.07 1.15 -0.73 0.00 0.00 179.01 180.05 3m3y h THR 599 N 0.17 1.33 0.00 0.32 2.02 0.13 -1.97 112.91 114.91 3m3y h THR 599 Ca -0.03 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.05 3m3y h THR 599 Cb 1.32 1.81 -0.05 0.00 -1.74 0.00 0.00 68.15 69.48 3m3y h THR 599 CO 0.12 0.33 -0.41 -0.07 0.37 0.00 0.00 175.52 175.85 3m3y h LEU 600 N -0.09 -1.25 -1.77 2.58 3.38 -0.65 -2.28 115.31 115.23 3m3y h LEU 600 Ca 0.03 0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.35 3m3y h LEU 600 Cb 0.55 0.49 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 3m3y h LEU 600 CO 0.02 -0.46 0.55 0.03 0.09 0.00 0.00 178.44 178.68 3m3y h ARG 601 N -0.57 0.19 -0.28 1.13 3.08 -1.30 -1.95 114.38 114.68 3m3y h ARG 601 Ca 0.05 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 3m3y h ARG 601 Cb 0.65 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3m3y h ARG 601 CO -0.31 0.13 -0.54 1.15 -1.07 0.00 0.00 179.97 179.32 3m3y h THR 602 N 0.20 1.28 -0.43 2.04 2.02 -0.79 -2.58 112.91 114.65 3m3y h THR 602 Ca 0.40 -1.73 -0.11 0.00 0.77 0.00 0.00 66.41 65.73 3m3y h THR 602 Cb 1.26 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 3m3y h THR 602 CO -0.08 0.56 -0.18 -0.07 0.37 0.00 0.00 175.52 176.12 3m3y h LEU 603 N 0.65 0.84 -0.83 2.58 3.38 -1.01 -2.51 115.31 118.41 3m3y h LEU 603 Ca 0.02 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 3m3y h LEU 603 Cb 1.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3m3y h LEU 603 CO 0.12 1.01 -0.54 -0.09 0.09 0.00 0.00 178.44 179.03 3m3y h ARG 604 N 0.73 0.13 -0.47 1.13 2.43 -1.51 0.40 114.38 117.23 3m3y h ARG 604 Ca 0.11 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3m3y h ARG 604 Cb 0.70 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3m3y h ARG 604 CO 0.05 0.63 0.00 0.54 -1.51 0.00 0.00 179.97 179.69 3m3y n ARG 605 N -3.91 1.48 0.00 0.20 1.74 -0.95 -2.58 116.66 112.63 3m3y n ARG 605 Ca -0.02 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 3m3y n ARG 605 Cb 0.56 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3m3y n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3m3y n LYS 606 N -0.01 1.17 0.00 5.56 4.81 -1.07 -2.20 118.16 126.42 3m3y n LYS 606 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3m3y n LYS 606 Cb 0.24 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.20 3m3y n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m3y n GLY 607 N 0.00 1.27 0.30 3.14 0.00 -0.07 -4.90 105.19 104.94 3m3y n GLY 607 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 3m3y n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3m3y h ASP 608 N 0.00 0.00 -4.31 1.61 3.32 -0.57 -3.36 116.42 113.10 3m3y h ASP 608 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 3m3y h ASP 608 Cb 0.00 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.28 3m3y h ASP 608 CO 0.00 0.03 -0.84 -0.63 -1.72 0.00 0.00 179.24 176.08 3m3y s ILE 609 N -4.30 2.46 -0.00 0.35 1.01 -0.82 -4.90 121.20 115.00 3m3y s ILE 609 Ca -0.04 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 3m3y s ILE 609 Cb 0.13 -1.91 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 3m3y s ILE 609 CO 0.51 0.58 1.39 0.21 0.00 0.00 0.00 174.94 177.63 3m3y s ASN 610 N -0.60 6.86 0.64 3.58 2.47 -1.26 -4.03 114.94 122.60 3m3y s ASN 610 Ca 0.09 2.10 0.18 0.00 0.42 0.00 0.00 52.86 55.65 3m3y s ASN 610 Cb -0.11 -2.56 0.85 0.00 -1.45 0.00 0.00 41.25 37.98 3m3y s ASN 610 CO 0.00 -0.71 1.43 -0.65 -3.72 0.00 0.00 177.10 173.45 3m3y h PRO 611 N 7.80 0.00 -0.00 0.43 0.11 -1.86 -0.21 132.00 138.28 3m3y h PRO 611 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3m3y h PRO 611 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3m3y h PRO 611 CO 0.90 0.00 -0.30 -1.91 -0.21 0.00 0.00 178.00 176.48 3m3y n GLU 612 N -2.96 0.07 -2.66 1.05 2.13 -1.26 -4.28 120.64 112.73 3m3y n GLU 612 Ca 0.06 -0.03 -0.40 0.00 0.66 0.00 0.00 57.16 57.45 3m3y n GLU 612 Cb 0.93 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 31.08 3m3y n GLU 612 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3m3y s VAL 613 N -2.95 3.90 -0.02 6.31 1.01 -0.09 -4.94 120.40 123.62 3m3y s VAL 613 Ca 0.14 1.90 0.07 0.00 0.00 0.00 0.00 61.98 64.09 3m3y s VAL 613 Cb 0.18 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3m3y s VAL 613 CO 0.62 0.45 -0.22 -0.94 0.00 0.00 0.00 175.10 175.02 3m3y s SER 614 N -1.06 2.57 -0.03 3.32 1.04 -1.01 -4.98 113.70 113.55 3m3y s SER 614 Ca 0.42 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 3m3y s SER 614 Cb -0.28 -0.32 0.03 0.00 0.10 0.00 0.00 66.02 65.55 3m3y s SER 614 CO 0.35 0.26 0.03 -0.04 0.98 0.00 0.00 173.24 174.82 3m3y s MET 615 N -0.48 0.06 -0.31 4.02 -1.94 -1.26 0.20 119.30 119.59 3m3y s MET 615 Ca 0.07 0.23 -0.00 0.00 -1.71 0.00 0.00 55.69 54.28 3m3y s MET 615 Cb -0.09 -0.44 0.10 0.00 2.01 0.00 0.00 34.83 36.41 3m3y s MET 615 CO -0.01 -0.23 0.09 0.42 -0.01 0.00 0.00 175.02 175.29 3m3y s ILE 616 N 1.51 1.08 -0.20 2.53 1.09 -0.10 -4.90 121.20 122.21 3m3y s ILE 616 Ca -0.03 -1.53 -0.25 0.00 -1.10 0.00 0.00 60.65 57.74 3m3y s ILE 616 Cb -0.13 -1.81 -0.01 0.00 -1.06 0.00 0.00 42.46 39.45 3m3y s ILE 616 CO -0.03 -0.66 0.82 -0.60 -0.10 0.00 0.00 174.94 174.37 3m3y s ARG 617 N 1.51 4.25 -0.75 2.79 3.52 -1.26 -2.82 118.95 126.19 3m3y s ARG 617 Ca 0.10 0.96 -0.06 0.00 -0.13 0.00 0.00 55.73 56.61 3m3y s ARG 617 Cb -0.17 -3.60 0.19 0.00 -1.56 0.00 0.00 34.95 29.81 3m3y s ARG 617 CO -0.23 -0.40 0.61 0.34 -0.81 0.00 0.00 175.30 174.82 3m3y s ASP 618 N 1.23 5.83 0.19 -2.12 -1.08 -0.12 -4.98 116.67 115.61 3m3y s ASP 618 Ca 0.36 -3.01 -0.16 0.00 -0.52 0.00 0.00 52.55 49.22 3m3y s ASP 618 Cb -0.16 -1.97 0.16 0.00 -1.46 0.00 0.00 42.92 39.49 3m3y s ASP 618 CO 0.10 -0.38 1.64 0.40 0.52 0.00 0.00 175.17 177.45 3m3y h ILE 619 N 4.85 0.44 -0.07 4.11 1.08 -1.95 -0.50 117.51 125.47 3m3y h ILE 619 Ca 0.06 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.35 3m3y h ILE 619 Cb 0.94 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 3m3y h ILE 619 CO 0.76 0.00 -0.72 0.03 -0.69 0.00 0.00 178.15 177.52 3m3y h ARG 620 N -0.04 0.37 -0.00 2.37 3.08 -1.97 -2.96 114.38 115.23 3m3y h ARG 620 Ca 0.24 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3m3y h ARG 620 Cb 0.41 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3m3y h ARG 620 CO -0.54 0.94 -0.11 -1.91 -1.07 0.00 0.00 179.97 177.28 3m3y n GLU 621 N -3.83 0.20 -3.80 0.04 4.07 -0.73 -4.97 120.64 111.62 3m3y n GLU 621 Ca -0.04 -0.04 -0.33 0.00 -0.06 0.00 0.00 57.16 56.68 3m3y n GLU 621 Cb 0.70 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 30.61 3m3y n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3m3y n LYS 622 N -1.36 -0.94 -3.80 5.31 5.02 -0.27 -4.96 118.16 117.14 3m3y n LYS 622 Ca 0.09 0.46 -0.13 0.00 -2.02 0.00 0.00 58.31 56.72 3m3y n LYS 622 Cb 0.31 -3.30 -0.12 0.00 -0.02 0.00 0.00 35.03 31.91 3m3y n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3m3y s GLU 623 N -6.07 0.30 -0.18 1.97 2.02 -1.22 -2.80 118.70 112.73 3m3y s GLU 623 Ca 0.35 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.57 3m3y s GLU 623 Cb -0.16 0.14 0.04 0.00 0.10 0.00 0.00 34.13 34.25 3m3y s GLU 623 CO 0.90 -0.04 -0.08 -1.17 0.02 0.00 0.00 175.26 174.89 3m3y s LEU 624 N -0.08 1.87 -0.06 1.80 2.96 -0.34 -0.95 118.68 123.88 3m3y s LEU 624 Ca -0.02 -0.73 0.01 0.00 -0.22 0.00 0.00 54.13 53.17 3m3y s LEU 624 Cb -0.02 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.59 3m3y s LEU 624 CO 0.01 -0.16 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.27 3m3y s LYS 625 N 1.53 2.75 -0.05 1.98 1.02 -1.13 -1.48 119.74 124.37 3m3y s LYS 625 Ca 0.00 -0.55 0.04 0.00 0.02 0.00 0.00 55.97 55.48 3m3y s LYS 625 Cb -0.15 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3m3y s LYS 625 CO -0.08 0.66 -0.16 0.42 -0.92 0.00 0.00 175.35 175.27 3m3y s ILE 626 N -0.83 1.39 -0.13 2.17 1.01 -0.48 -0.92 121.20 123.40 3m3y s ILE 626 Ca 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3m3y s ILE 626 Cb -0.11 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.18 3m3y s ILE 626 CO 0.02 0.40 -0.13 -0.36 0.00 0.00 0.00 174.94 174.87 3m3y s PHE 627 N 0.18 1.95 -0.11 3.97 0.40 0.13 -1.90 117.98 122.60 3m3y s PHE 627 Ca -0.07 -1.02 0.16 0.00 -0.60 0.00 0.00 56.93 55.40 3m3y s PHE 627 Cb -0.13 -1.46 -0.24 0.00 0.51 0.00 0.00 43.02 41.71 3m3y s PHE 627 CO 0.03 -0.58 0.19 2.41 0.70 0.00 0.00 175.22 177.97 3m3y n THR 628 N 4.63 0.73 0.00 0.64 -1.04 -1.26 -2.41 114.28 115.57 3m3y n THR 628 Ca -0.17 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 3m3y n THR 628 Cb 0.50 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 3m3y n THR 628 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3m3y n ASP 629 N -2.44 0.00 -4.81 8.00 -0.08 -1.26 -3.26 116.55 112.70 3m3y n ASP 629 Ca -0.19 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.76 3m3y n ASP 629 Cb 0.84 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.27 3m3y n ASP 629 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3m3y s ALA 630 N 0.00 2.90 0.00 -1.67 0.00 -1.26 -4.49 121.76 117.23 3m3y s ALA 630 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3m3y s ALA 630 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3m3y s ALA 630 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3m3y n GLY 631 N -0.66 0.67 3.73 0.00 0.00 -0.90 -4.93 105.19 103.09 3m3y n GLY 631 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3m3y n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m3y s ARG 632 N -0.99 4.44 0.05 1.61 0.52 -1.26 -1.44 118.95 121.87 3m3y s ARG 632 Ca 0.00 0.92 -0.22 0.00 -0.52 0.00 0.00 55.73 55.91 3m3y s ARG 632 Cb 0.00 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 31.99 3m3y s ARG 632 CO 0.00 0.13 0.65 0.08 0.02 0.00 0.00 175.30 176.18 3m3y s VAL 633 N 0.55 4.76 0.30 3.52 1.01 -1.26 -0.99 120.40 128.29 3m3y s VAL 633 Ca 0.38 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.75 3m3y s VAL 633 Cb -0.18 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3m3y s VAL 633 CO 0.19 0.45 0.31 -0.72 0.00 0.00 0.00 175.10 175.34 3m3y s TYR 634 N -0.50 1.39 -0.28 5.22 -0.85 -0.78 -3.62 117.35 117.92 3m3y s TYR 634 Ca 0.33 -1.46 -0.24 0.00 -0.52 0.00 0.00 57.07 55.18 3m3y s TYR 634 Cb -0.20 -0.47 0.13 0.00 0.38 0.00 0.00 41.96 41.80 3m3y s TYR 634 CO 0.20 -0.90 1.05 -0.98 -1.52 0.00 0.00 175.55 173.39 3m3y s ARG 635 N -3.50 0.46 0.00 -3.49 3.03 -0.94 -2.14 118.95 112.37 3m3y s ARG 635 Ca 0.37 0.58 0.00 0.00 2.03 0.00 0.00 55.73 58.71 3m3y s ARG 635 Cb 0.02 0.21 0.00 0.00 -1.03 0.00 0.00 34.95 34.15 3m3y s ARG 635 CO 0.22 -0.06 0.00 -2.30 -1.13 0.00 0.00 175.30 172.03 3m3y n PRO 636 N 2.40 0.00 -0.58 3.89 -0.02 -1.26 -3.66 135.00 135.77 3m3y n PRO 636 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3m3y n PRO 636 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3m3y n PRO 636 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3m3y n LEU 637 N 0.00 0.00 -4.75 2.45 -0.00 -0.53 -2.71 117.00 111.45 3m3y n LEU 637 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 3m3y n LEU 637 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 3m3y n LEU 637 CO 0.00 0.00 0.45 -0.36 -0.00 0.00 0.00 177.39 177.48 3m3y s PHE 638 N -0.07 3.76 0.21 1.47 2.99 -0.61 -0.88 117.98 124.86 3m3y s PHE 638 Ca 0.00 1.47 -0.17 0.00 0.00 0.00 0.00 56.93 58.23 3m3y s PHE 638 Cb 0.00 -2.78 -0.08 0.00 0.00 0.00 0.00 43.02 40.16 3m3y s PHE 638 CO 0.00 0.33 0.66 0.42 -0.00 0.00 0.00 175.22 176.63 3m3y s ILE 639 N -0.28 4.69 -0.40 0.64 1.01 -0.98 -0.81 121.20 125.07 3m3y s ILE 639 Ca 0.37 1.06 0.01 0.00 0.00 0.00 0.00 60.65 62.09 3m3y s ILE 639 Cb -0.21 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.62 3m3y s ILE 639 CO 0.23 0.15 0.20 -0.69 0.00 0.00 0.00 174.94 174.83 3m3y s VAL 640 N -1.58 1.22 0.33 2.92 1.01 -0.78 -1.68 120.40 121.84 3m3y s VAL 640 Ca 0.43 -2.24 0.01 0.00 0.00 0.00 0.00 61.98 60.18 3m3y s VAL 640 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3m3y s VAL 640 CO 0.20 -0.85 0.53 -0.70 0.00 0.00 0.00 175.10 174.28 3m3y s GLU 641 N 0.69 3.49 -0.06 2.72 2.56 -1.10 -4.10 118.70 122.90 3m3y s GLU 641 Ca 0.16 -0.35 0.06 0.00 0.00 0.00 0.00 54.97 54.84 3m3y s GLU 641 Cb -0.23 -2.69 0.29 0.00 2.00 0.00 0.00 34.13 33.50 3m3y s GLU 641 CO -0.05 0.18 1.04 -0.40 -0.56 0.00 0.00 175.26 175.48 3m3y n ASP 642 N -1.68 2.33 0.25 -1.70 5.68 -1.26 -1.54 116.55 118.63 3m3y n ASP 642 Ca -0.05 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.01 3m3y n ASP 642 Cb 0.56 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 3m3y n ASP 642 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3m3y n ASP 643 N 0.26 0.00 -4.57 -1.12 5.75 -1.26 -4.51 116.55 111.10 3m3y n ASP 643 Ca 0.10 0.38 -0.18 0.00 -0.01 0.00 0.00 54.79 55.08 3m3y n ASP 643 Cb 0.48 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.49 3m3y n ASP 643 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3m3y s GLU 644 N -3.46 1.79 0.00 0.11 0.41 -1.26 -4.85 118.70 111.44 3m3y s GLU 644 Ca 0.00 -0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 3m3y s GLU 644 Cb 0.00 -4.93 0.00 0.00 -1.78 0.00 0.00 34.13 27.42 3m3y s GLU 644 CO 0.00 -4.42 0.00 0.45 -0.49 0.00 0.00 175.26 170.80 3m3y n SER 645 N 17.50 0.00 -4.39 -0.19 2.88 -1.26 -0.86 113.62 127.31 3m3y n SER 645 Ca 0.44 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.53 3m3y n SER 645 Cb 0.45 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3m3y n SER 645 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3m3y s LEU 646 N 0.00 5.88 0.00 2.46 1.43 -1.26 -4.98 118.68 122.21 3m3y s LEU 646 Ca 0.00 -3.22 0.00 0.00 -1.03 0.00 0.00 54.13 49.88 3m3y s LEU 646 Cb 0.00 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3m3y s LEU 646 CO 0.00 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.68 3m3y n GLY 647 N 3.46 0.32 7.00 -3.19 0.00 -0.04 -5.08 105.19 107.67 3m3y n GLY 647 Ca 0.27 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3m3y n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3m3y n HIS 648 N 0.88 -0.17 -3.76 1.61 1.44 -1.26 -4.49 115.22 109.47 3m3y n HIS 648 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 3m3y n HIS 648 Cb 0.00 0.05 -0.05 0.00 0.12 0.00 0.00 29.99 30.11 3m3y n HIS 648 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3m3y s LYS 649 N 0.00 3.56 -0.01 -1.40 1.02 -1.26 -4.26 119.74 117.40 3m3y s LYS 649 Ca 0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 55.97 55.74 3m3y s LYS 649 Cb 0.00 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 3m3y s LYS 649 CO 0.00 0.55 0.16 -2.00 -0.92 0.00 0.00 175.35 173.15 3m3y s GLU 650 N -2.37 0.47 0.22 1.68 2.56 -0.59 -4.96 118.70 115.71 3m3y s GLU 650 Ca 0.36 -0.28 -0.32 0.00 0.00 0.00 0.00 54.97 54.72 3m3y s GLU 650 Cb -0.13 0.20 -0.12 0.00 2.00 0.00 0.00 34.13 36.08 3m3y s GLU 650 CO 0.23 -0.11 1.70 1.28 -0.56 0.00 0.00 175.26 177.80 3m3y n LEU 651 N 1.65 4.02 -0.19 2.70 7.99 -1.26 -2.72 117.00 129.19 3m3y n LEU 651 Ca -0.21 1.07 -0.03 0.00 -0.01 0.00 0.00 56.01 56.83 3m3y n LEU 651 Cb 0.56 -1.57 0.17 0.00 -0.11 0.00 0.00 43.42 42.47 3m3y n LEU 651 CO 0.21 0.16 1.05 0.11 -1.51 0.00 0.00 177.39 177.41 3m3y h LYS 652 N 6.46 0.96 -6.79 3.23 1.57 -1.63 -3.43 116.57 116.94 3m3y h LYS 652 Ca -0.44 -0.16 -0.53 0.00 -1.87 0.00 0.00 60.65 57.65 3m3y h LYS 652 Cb 1.21 -0.16 0.08 0.00 0.08 0.00 0.00 32.23 33.44 3m3y h LYS 652 CO 0.93 0.79 0.89 0.28 -0.57 0.00 0.00 179.45 181.77 3m3y n VAL 653 N -4.30 0.99 -4.52 0.50 0.31 -1.26 -5.01 118.33 105.03 3m3y n VAL 653 Ca 0.06 -0.25 -0.23 0.00 -0.01 0.00 0.00 64.34 63.91 3m3y n VAL 653 Cb 0.17 -1.97 -0.05 0.00 -0.91 0.00 0.00 33.84 31.08 3m3y n VAL 653 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3m3y n ARG 654 N 2.21 0.99 -0.09 5.55 5.12 -1.26 -4.33 116.66 124.85 3m3y n ARG 654 Ca 0.09 -2.71 -0.12 0.00 -1.93 0.00 0.00 57.85 53.17 3m3y n ARG 654 Cb 0.37 0.89 0.01 0.00 -1.16 0.00 0.00 32.46 32.57 3m3y n ARG 654 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3m3y h LYS 655 N 0.00 0.85 -0.90 5.56 1.57 -1.40 -2.67 116.57 119.58 3m3y h LYS 655 Ca -0.30 -0.45 0.17 0.00 -1.87 0.00 0.00 60.65 58.21 3m3y h LYS 655 Cb 0.94 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 33.10 3m3y h LYS 655 CO 0.49 1.09 -0.26 0.78 -0.57 0.00 0.00 179.45 180.98 3m3y h GLY 656 N 0.84 0.52 0.98 3.86 0.00 -1.79 0.13 103.07 107.62 3m3y h GLY 656 Ca 0.05 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3m3y h GLY 656 CO 0.09 -0.32 0.24 0.45 0.00 0.00 0.00 176.54 177.01 3m3y h HIS 657 N -0.01 0.79 -1.00 5.60 3.86 -1.75 -2.51 115.15 120.13 3m3y h HIS 657 Ca 0.41 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.66 3m3y h HIS 657 Cb 0.65 -0.24 -0.07 0.00 1.06 0.00 0.00 27.41 28.80 3m3y h HIS 657 CO -0.73 0.63 0.64 0.82 0.86 0.00 0.00 177.93 180.16 3m3y h ILE 658 N 0.72 1.03 0.10 2.45 5.03 -0.85 -2.05 117.51 123.94 3m3y h ILE 658 Ca 0.18 -0.38 -0.01 0.00 -0.12 0.00 0.00 64.86 64.54 3m3y h ILE 658 Cb 0.16 -0.18 0.00 0.00 -3.03 0.00 0.00 36.82 33.77 3m3y h ILE 658 CO -0.02 0.20 -0.05 0.00 -0.68 0.00 0.00 178.15 177.60 3m3y h ALA 659 N 1.48 -0.14 -0.89 1.87 0.00 -0.60 -1.70 119.26 119.29 3m3y h ALA 659 Ca 0.46 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.36 3m3y h ALA 659 Cb 0.28 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3m3y h ALA 659 CO -0.21 -0.49 0.57 0.87 0.00 0.00 0.00 179.25 179.99 3m3y h LYS 660 N -0.31 0.84 -0.17 0.00 1.57 -1.43 0.14 116.57 117.20 3m3y h LYS 660 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3m3y h LYS 660 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3m3y h LYS 660 CO 0.02 0.56 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.37 3m3y h LEU 661 N 0.87 0.22 0.00 2.94 3.38 -0.93 -2.49 115.31 119.30 3m3y h LEU 661 Ca 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3m3y h LEU 661 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3m3y h LEU 661 CO -0.18 0.29 -1.47 0.23 0.09 0.00 0.00 178.44 177.40 3m3y n MET 662 N -4.37 0.56 0.31 1.13 2.81 -0.31 -2.93 117.12 114.31 3m3y n MET 662 Ca -0.00 -0.05 -0.17 0.00 -1.81 0.00 0.00 57.70 55.67 3m3y n MET 662 Cb 0.18 -1.64 -0.09 0.00 -0.71 0.00 0.00 33.22 30.97 3m3y n MET 662 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3m3y h ALA 663 N 2.12 -0.78 -0.99 3.04 0.00 -0.61 -2.62 119.26 119.43 3m3y h ALA 663 Ca 0.00 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 54.96 3m3y h ALA 663 Cb 0.94 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 3m3y h ALA 663 CO 0.00 -0.94 0.62 1.15 0.00 0.00 0.00 179.25 180.08 3m3y h THR 664 N -0.78 0.66 0.00 0.00 2.02 -1.50 -1.40 112.91 111.90 3m3y h THR 664 Ca -0.07 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3m3y h THR 664 Cb 0.61 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3m3y h THR 664 CO 0.10 0.11 0.00 1.21 0.37 0.00 0.00 175.52 177.31 3m3y n GLU 665 N -4.67 0.00 0.23 6.66 2.13 -1.15 -3.67 120.64 120.17 3m3y n GLU 665 Ca 0.23 0.60 0.16 0.00 0.66 0.00 0.00 57.16 58.81 3m3y n GLU 665 Cb 0.67 -1.49 0.72 0.00 0.27 0.00 0.00 31.44 31.61 3m3y n GLU 665 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 3m3y h TYR 666 N 0.00 0.00 0.00 4.31 -0.00 -1.02 -3.01 116.97 117.25 3m3y h TYR 666 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.38 3m3y h TYR 666 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 3m3y h TYR 666 CO -0.03 0.00 1.89 0.94 -0.00 0.00 0.00 178.16 180.97 3m3y n GLN 667 N -2.69 2.20 -1.23 0.10 -0.06 -0.59 -5.12 117.38 109.99 3m3y n GLN 667 Ca -0.00 -1.35 -0.01 0.00 -2.00 0.00 0.00 57.00 53.64 3m3y n GLN 667 Cb 0.19 -2.31 -0.02 0.00 -4.06 0.00 0.00 30.24 24.03 3m3y n GLN 667 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3m3y n ASP 668 N 3.50 0.10 0.00 1.69 8.00 -1.14 -4.97 116.55 123.73 3m3y n ASP 668 Ca 0.47 -1.97 0.00 0.00 0.71 0.00 0.00 54.79 54.00 3m3y n ASP 668 Cb 0.34 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3m3y n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3m3y n GLU 678 N 0.26 -0.08 -3.95 -1.24 0.28 -1.26 -5.13 120.64 109.51 3m3y n GLU 678 Ca -0.09 -0.31 -0.34 0.00 -0.16 0.00 0.00 57.16 56.27 3m3y n GLU 678 Cb 0.93 -0.68 -0.14 0.00 1.43 0.00 0.00 31.44 32.98 3m3y n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3m3y s TYR 679 N -0.07 3.36 0.27 -1.84 5.04 -1.26 -4.99 117.35 117.86 3m3y s TYR 679 Ca 0.00 -2.19 0.09 0.00 -2.44 0.00 0.00 57.07 52.53 3m3y s TYR 679 Cb 0.00 -2.27 -0.05 0.00 0.35 0.00 0.00 41.96 39.99 3m3y s TYR 679 CO 0.00 -0.86 -0.14 0.95 -1.34 0.00 0.00 175.55 174.16 3m3y s THR 680 N 1.16 2.07 0.24 4.34 -4.23 -1.26 -4.64 115.64 113.31 3m3y s THR 680 Ca -0.03 -2.27 -0.04 0.00 -1.18 0.00 0.00 61.69 58.17 3m3y s THR 680 Cb -0.20 -2.31 0.37 0.00 1.34 0.00 0.00 72.50 71.70 3m3y s THR 680 CO -0.03 -0.41 1.29 1.87 -0.54 0.00 0.00 174.62 176.80 3m3y n TRP 681 N -0.57 0.37 -0.13 3.99 -0.00 -1.26 -0.72 117.44 119.11 3m3y n TRP 681 Ca -0.06 1.01 -0.07 0.00 -0.00 0.00 0.00 57.50 58.38 3m3y n TRP 681 Cb 0.61 -1.03 0.02 0.00 -0.00 0.00 0.00 31.31 30.91 3m3y n TRP 681 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 3m3y h SER 682 N 0.00 0.40 0.03 5.87 0.02 -1.95 0.40 113.55 118.32 3m3y h SER 682 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3m3y h SER 682 Cb 0.74 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3m3y h SER 682 CO -0.83 0.29 0.00 -1.54 -1.14 0.00 0.00 176.83 173.61 3m3y n SER 683 N -4.85 0.00 0.00 3.07 3.41 0.10 0.11 113.62 115.46 3m3y n SER 683 Ca 0.02 0.20 -0.21 0.00 -0.26 0.00 0.00 58.87 58.61 3m3y n SER 683 Cb 0.06 -0.23 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 3m3y n SER 683 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3m3y n LEU 684 N -1.23 2.62 -0.14 1.04 4.77 0.13 -3.37 117.00 120.82 3m3y n LEU 684 Ca 0.01 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.08 3m3y n LEU 684 Cb 0.01 -1.09 -0.01 0.00 -2.33 0.00 0.00 43.42 40.00 3m3y n LEU 684 CO 0.01 0.85 0.72 0.25 -1.33 0.00 0.00 177.39 177.90 3m3y h LEU 685 N 0.07 0.82 0.00 2.23 5.85 0.01 -2.25 115.31 122.03 3m3y h LEU 685 Ca -0.43 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 57.85 3m3y h LEU 685 Cb 2.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 3m3y h LEU 685 CO 0.08 0.99 -0.46 0.78 -0.34 0.00 0.00 178.44 179.49 3m3y h ASN 686 N 0.64 0.00 -0.29 1.25 2.35 -0.51 -2.91 115.58 116.11 3m3y h ASN 686 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3m3y h ASN 686 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3m3y h ASN 686 CO 0.04 0.38 0.00 -0.62 -1.65 0.00 0.00 177.43 175.59 3m3y n GLU 687 N -3.16 2.34 -3.80 0.81 1.02 -1.21 -4.25 120.64 112.38 3m3y n GLU 687 Ca 0.02 -1.32 -0.24 0.00 -0.02 0.00 0.00 57.16 55.60 3m3y n GLU 687 Cb 0.69 -1.60 0.01 0.00 -0.02 0.00 0.00 31.44 30.52 3m3y n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3y n GLY 688 N 0.59 -0.32 0.11 0.62 0.00 -0.93 -4.91 105.19 100.35 3m3y n GLY 688 Ca 0.12 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.34 3m3y n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m3y n LEU 689 N -4.31 0.79 -3.69 0.99 4.77 -0.85 -4.88 117.00 109.83 3m3y n LEU 689 Ca -0.29 -0.67 -0.14 0.00 -0.03 0.00 0.00 56.01 54.88 3m3y n LEU 689 Cb 0.68 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.68 3m3y n LEU 689 CO 0.71 0.17 0.19 -0.69 -1.33 0.00 0.00 177.39 176.44 3m3y s VAL 690 N -1.33 0.01 0.06 4.08 1.01 -1.24 -2.32 120.40 120.68 3m3y s VAL 690 Ca 0.05 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3m3y s VAL 690 Cb 0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3m3y s VAL 690 CO 0.23 -0.06 -0.05 -0.70 0.00 0.00 0.00 175.10 174.51 3m3y s GLU 691 N -0.34 0.65 -0.21 2.72 2.12 -0.06 -4.62 118.70 118.96 3m3y s GLU 691 Ca -0.05 -1.11 -0.08 0.00 0.36 0.00 0.00 54.97 54.09 3m3y s GLU 691 Cb -0.03 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 3m3y s GLU 691 CO 0.03 -0.04 0.08 0.71 -0.54 0.00 0.00 175.26 175.50 3m3y s TYR 692 N -3.08 3.22 -0.15 5.30 4.12 -1.23 -1.46 117.35 124.07 3m3y s TYR 692 Ca 0.03 -0.01 0.02 0.00 0.02 0.00 0.00 57.07 57.13 3m3y s TYR 692 Cb 0.02 -2.15 0.02 0.00 -1.52 0.00 0.00 41.96 38.32 3m3y s TYR 692 CO -0.05 0.02 -0.20 0.42 0.02 0.00 0.00 175.55 175.76 3m3y s ILE 693 N 0.79 1.99 0.59 2.71 -1.09 -1.10 -4.89 121.20 120.20 3m3y s ILE 693 Ca 0.04 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 57.54 3m3y s ILE 693 Cb -0.13 -1.78 0.05 0.00 -1.58 0.00 0.00 42.46 39.01 3m3y s ILE 693 CO 0.02 0.53 0.84 1.51 -1.23 0.00 0.00 174.94 176.61 3m3y s ASP 694 N 1.07 5.12 0.53 3.58 -4.77 -1.26 -2.21 116.67 118.72 3m3y s ASP 694 Ca -0.01 0.06 0.19 0.00 -3.30 0.00 0.00 52.55 49.49 3m3y s ASP 694 Cb -0.14 -0.86 1.36 0.00 -1.09 0.00 0.00 42.92 42.19 3m3y s ASP 694 CO -0.07 -1.29 2.13 0.00 0.70 0.00 0.00 175.17 176.65 3m3y h ALA 695 N -0.11 2.03 -0.07 2.11 0.00 -1.90 -1.28 119.26 120.04 3m3y h ALA 695 Ca -0.42 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 3m3y h ALA 695 Cb 1.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3m3y h ALA 695 CO 0.53 -0.12 -0.71 1.49 0.00 0.00 0.00 179.25 180.44 3m3y h GLU 696 N 0.00 0.37 0.00 0.00 4.57 -1.92 -3.09 114.58 114.51 3m3y h GLU 696 Ca 0.05 -0.30 -0.19 0.00 -1.18 0.00 0.00 59.36 57.74 3m3y h GLU 696 Cb 0.19 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 3m3y h GLU 696 CO -0.00 0.94 -1.17 1.49 -1.18 0.00 0.00 179.01 179.08 3m3y h GLU 697 N 0.25 0.00 -0.33 1.92 4.81 -1.75 -3.18 114.58 116.29 3m3y h GLU 697 Ca -0.03 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3m3y h GLU 697 Cb 1.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 3m3y h GLU 697 CO 0.12 0.52 0.29 1.49 -0.73 0.00 0.00 179.01 180.69 3m3y h GLU 698 N 0.00 0.00 0.00 1.92 4.81 -1.20 0.01 114.58 120.12 3m3y h GLU 698 Ca -0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3m3y h GLU 698 Cb 1.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.04 3m3y h GLU 698 CO 0.07 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.74 3m3y n GLU 699 N -4.08 0.10 -0.00 1.92 -0.58 -1.17 -3.44 120.64 113.38 3m3y n GLU 699 Ca 0.05 0.47 0.01 0.00 -0.42 0.00 0.00 57.16 57.27 3m3y n GLU 699 Cb 0.45 -1.75 0.01 0.00 -0.57 0.00 0.00 31.44 29.59 3m3y n GLU 699 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3m3y n SER 700 N -1.94 1.30 -4.44 1.62 3.41 -0.01 -5.04 113.62 108.51 3m3y n SER 700 Ca 0.01 -1.22 -0.24 0.00 -0.26 0.00 0.00 58.87 57.16 3m3y n SER 700 Cb 0.11 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 3m3y n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3m3y s ILE 701 N -0.27 2.35 -0.17 -1.33 -4.36 -1.22 -5.07 121.20 111.13 3m3y s ILE 701 Ca 0.02 -2.31 -0.01 0.00 -0.26 0.00 0.00 60.65 58.10 3m3y s ILE 701 Cb 0.01 -2.22 -0.00 0.00 1.25 0.00 0.00 42.46 41.50 3m3y s ILE 701 CO 0.02 -0.37 -0.13 -0.22 0.24 0.00 0.00 174.94 174.47 3m3y s LEU 702 N -3.32 2.56 -0.20 0.37 2.96 -1.26 -5.02 118.68 114.77 3m3y s LEU 702 Ca 0.27 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 3m3y s LEU 702 Cb -0.05 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3m3y s LEU 702 CO 0.13 0.07 0.08 -0.63 -1.32 0.00 0.00 176.35 174.67 3m3y s ILE 703 N 0.92 4.81 0.51 6.68 1.01 -1.26 -1.88 121.20 131.99 3m3y s ILE 703 Ca -0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 3m3y s ILE 703 Cb -0.15 -3.19 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 3m3y s ILE 703 CO -0.01 0.43 0.94 0.00 0.00 0.00 0.00 174.94 176.30 3m3y s ALA 704 N 0.61 3.15 -0.13 9.38 0.00 0.09 -4.90 121.76 129.95 3m3y s ALA 704 Ca 0.04 0.01 0.17 0.00 0.00 0.00 0.00 51.96 52.17 3m3y s ALA 704 Cb -0.13 -3.00 -0.24 0.00 0.00 0.00 0.00 23.12 19.76 3m3y s ALA 704 CO 0.01 -0.30 0.37 -0.12 0.00 0.00 0.00 175.76 175.72 3m3y n MET 705 N -1.82 0.66 -3.67 0.00 1.56 -1.26 -0.51 117.12 112.09 3m3y n MET 705 Ca 0.05 0.09 -0.19 0.00 -0.27 0.00 0.00 57.70 57.38 3m3y n MET 705 Cb 0.54 -1.63 -0.17 0.00 2.15 0.00 0.00 33.22 34.11 3m3y n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3m3y s GLN 706 N -2.66 -0.04 0.00 2.12 -0.21 -1.26 -4.55 119.66 113.06 3m3y s GLN 706 Ca -0.07 0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.73 3m3y s GLN 706 Cb 0.08 -0.47 0.00 0.00 1.00 0.00 0.00 33.01 33.61 3m3y s GLN 706 CO 0.83 -0.34 0.63 -0.35 -2.12 0.00 0.00 175.29 173.95 3m3y n PRO 707 N 5.31 0.00 0.00 2.91 -0.04 -1.26 -1.65 135.00 140.27 3m3y n PRO 707 Ca -0.04 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.06 3m3y n PRO 707 Cb 0.50 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 3m3y n PRO 707 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3m3y n GLU 708 N -1.93 0.00 0.00 0.54 -0.00 -1.26 -3.63 120.64 114.36 3m3y n GLU 708 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3m3y n GLU 708 Cb 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 31.44 31.41 3m3y n GLU 708 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3m3y n ASP 709 N 0.00 0.00 0.00 -1.84 8.00 -1.26 0.15 116.55 121.60 3m3y n ASP 709 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 3m3y n ASP 709 Cb 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.48 3m3y n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m3y n LEU 710 N -2.20 0.00 -0.95 0.64 7.99 -0.66 -4.18 117.00 117.64 3m3y n LEU 710 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.95 3m3y n LEU 710 Cb 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 3m3y n LEU 710 CO 0.00 0.00 0.27 -1.84 -1.51 0.00 0.00 177.39 174.31 3m3y n GLU 711 N -0.74 0.05 -2.36 3.23 0.28 0.40 -4.62 120.64 116.88 3m3y n GLU 711 Ca 0.10 -0.75 -0.25 0.00 -0.16 0.00 0.00 57.16 56.10 3m3y n GLU 711 Cb 0.04 0.49 0.09 0.00 1.43 0.00 0.00 31.44 33.49 3m3y n GLU 711 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3m3y s PRO 712 N 0.00 1.92 0.00 3.44 0.05 -1.24 -4.98 135.00 134.20 3m3y s PRO 712 Ca 0.00 -0.62 0.00 0.00 0.05 0.00 0.00 61.00 60.43 3m3y s PRO 712 Cb 0.02 -2.24 0.00 0.00 0.05 0.00 0.00 34.50 32.33 3m3y s PRO 712 CO -0.00 -1.34 0.00 0.00 0.05 0.00 0.00 177.00 175.70 3m3y n ALA 713 N -2.89 0.00 -3.86 8.56 0.00 -1.26 -5.00 120.51 116.07 3m3y n ALA 713 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 3m3y n ALA 713 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 3m3y n ALA 713 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3m3y s GLU 714 N 0.00 1.20 0.00 0.00 0.41 -1.26 -5.12 118.70 113.93 3m3y s GLU 714 Ca 0.00 -0.94 0.00 0.00 -0.41 0.00 0.00 54.97 53.62 3m3y s GLU 714 Cb 0.00 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 3m3y s GLU 714 CO 0.00 -0.71 0.00 0.00 -0.49 0.00 0.00 175.26 174.06 3m3y n ALA 715 N 4.76 0.00 0.00 5.21 0.00 -1.26 -5.34 120.51 123.88 3m3y n ALA 715 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3m3y n ALA 715 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3m3y n ALA 715 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3m3y n ASP 722 N 0.00 0.00 -5.01 0.00 5.75 -1.26 -5.36 116.55 110.67 3m3y n ASP 722 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.59 3m3y n ASP 722 Cb 0.00 0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 3m3y n ASP 722 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3m3y s VAL 723 N 0.00 2.28 -0.31 2.12 -7.23 -1.26 -5.10 120.40 110.90 3m3y s VAL 723 Ca 0.00 -0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 3m3y s VAL 723 Cb 0.00 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 3m3y s VAL 723 CO 0.00 0.00 0.35 -0.62 -0.31 0.00 0.00 175.10 174.52 3m3y s ASP 724 N -4.62 6.20 0.45 4.85 -1.08 -1.26 -4.99 116.67 116.22 3m3y s ASP 724 Ca 0.61 0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.87 3m3y s ASP 724 Cb -0.06 -2.20 1.09 0.00 -1.46 0.00 0.00 42.92 40.29 3m3y s ASP 724 CO 0.38 -0.25 1.95 -0.65 0.52 0.00 0.00 175.17 177.12 3m3y h PRO 725 N 8.34 0.00 -0.38 4.34 0.11 -2.02 -3.03 132.00 139.37 3m3y h PRO 725 Ca -0.31 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.66 3m3y h PRO 725 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3m3y h PRO 725 CO 0.66 0.22 -0.32 0.00 -0.21 0.00 0.00 178.00 178.36 3m3y h ALA 726 N 1.78 0.72 -2.55 -0.75 0.00 -2.03 -3.45 119.26 112.98 3m3y h ALA 726 Ca -0.00 -0.42 -0.53 0.00 0.00 0.00 0.00 54.91 53.96 3m3y h ALA 726 Cb 0.51 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.19 3m3y h ALA 726 CO 0.03 0.66 0.89 0.15 0.00 0.00 0.00 179.25 180.98 3m3y s LYS 727 N -4.47 4.22 0.56 0.00 1.02 -1.15 -4.94 119.74 114.99 3m3y s LYS 727 Ca -0.10 2.31 -0.18 0.00 0.02 0.00 0.00 55.97 58.02 3m3y s LYS 727 Cb 0.12 -3.30 -0.11 0.00 -0.52 0.00 0.00 37.83 34.02 3m3y s LYS 727 CO 0.86 -0.62 0.28 2.89 -0.92 0.00 0.00 175.35 177.84 3m3y n ARG 728 N 4.47 0.31 -2.58 1.68 1.85 -1.26 -4.88 116.66 116.25 3m3y n ARG 728 Ca 0.14 0.12 -0.42 0.00 -1.00 0.00 0.00 57.85 56.69 3m3y n ARG 728 Cb 0.40 -1.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.33 3m3y n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3m3y s ILE 729 N -1.83 4.53 0.25 8.89 -1.09 -1.26 -5.04 121.20 125.65 3m3y s ILE 729 Ca 0.64 1.82 0.03 0.00 -2.23 0.00 0.00 60.65 60.91 3m3y s ILE 729 Cb -0.46 -4.17 0.05 0.00 -1.58 0.00 0.00 42.46 36.30 3m3y s ILE 729 CO 0.59 0.04 0.35 0.54 -1.23 0.00 0.00 174.94 175.22 3m3y n ARG 730 N 4.81 0.67 0.00 2.79 3.00 -1.26 -5.11 116.66 121.56 3m3y n ARG 730 Ca 0.09 -1.21 0.00 0.00 -0.01 0.00 0.00 57.85 56.72 3m3y n ARG 730 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 32.46 32.79 3m3y n ARG 730 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3m3y n VAL 731 N -1.66 0.00 -2.08 1.55 0.24 -1.26 -5.17 118.33 109.95 3m3y n VAL 731 Ca 0.07 0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3m3y n VAL 731 Cb 0.24 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 3m3y n VAL 731 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3m3y n SER 732 N -1.56 0.00 0.00 -1.34 7.64 -1.26 -4.99 113.62 112.11 3m3y n SER 732 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3m3y n SER 732 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3m3y n SER 732 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3m3y n HIS 733 N 2.76 0.00 -0.97 1.43 8.25 -1.26 -4.96 115.22 120.46 3m3y n HIS 733 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3m3y n HIS 733 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3m3y n HIS 733 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3m3y n HIS 734 N 0.00 0.00 -1.83 4.41 8.25 -1.26 -4.93 115.22 119.86 3m3y n HIS 734 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3m3y n HIS 734 Cb 0.00 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.76 3m3y n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m3y n ALA 735 N 0.13 -2.25 -3.27 -1.41 0.00 -1.26 -4.99 120.51 107.46 3m3y n ALA 735 Ca 0.00 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.59 3m3y n ALA 735 Cb 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.16 3m3y n ALA 735 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3m3y s THR 736 N -0.42 0.03 -0.08 0.00 -4.23 -1.26 -4.79 115.64 104.89 3m3y s THR 736 Ca 0.00 -2.19 0.03 0.00 -1.18 0.00 0.00 61.69 58.35 3m3y s THR 736 Cb 0.00 -0.97 0.09 0.00 1.34 0.00 0.00 72.50 72.96 3m3y s THR 736 CO 0.00 -0.95 0.68 1.07 -0.54 0.00 0.00 174.62 174.88 3m3y n THR 737 N 3.00 0.00 -1.24 3.99 5.66 -1.26 -5.02 114.28 119.41 3m3y n THR 737 Ca 0.26 -0.23 -0.31 0.00 -3.05 0.00 0.00 64.05 60.73 3m3y n THR 737 Cb 0.49 0.50 0.11 0.00 -1.55 0.00 0.00 70.33 69.87 3m3y n THR 737 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 3m3y s PHE 738 N 0.03 2.48 0.00 1.09 2.99 -1.26 -4.65 117.98 118.67 3m3y s PHE 738 Ca 0.02 1.46 0.00 0.00 0.00 0.00 0.00 56.93 58.41 3m3y s PHE 738 Cb 0.10 -3.09 0.00 0.00 0.00 0.00 0.00 43.02 40.03 3m3y s PHE 738 CO -0.03 -2.00 0.00 0.25 -0.00 0.00 0.00 175.22 173.44 3m3y n THR 739 N -3.65 0.00 -3.52 0.64 -2.24 -0.79 -4.86 114.28 99.86 3m3y n THR 739 Ca 0.08 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.73 3m3y n THR 739 Cb 0.54 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 3m3y n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3m3y s HIS 740 N -0.18 -0.46 -0.02 4.78 3.76 -1.19 -1.86 115.29 120.12 3m3y s HIS 740 Ca 0.00 0.41 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 3m3y s HIS 740 Cb 0.00 0.41 0.01 0.00 1.11 0.00 0.00 32.58 34.11 3m3y s HIS 740 CO 0.00 -0.72 -0.04 0.00 -0.85 0.00 0.00 174.74 173.13 3m3y n GLU 742 N 3.37 1.19 0.05 0.00 4.07 0.33 -1.58 120.64 128.07 3m3y n GLU 742 Ca -0.18 0.42 -0.11 0.00 -0.06 0.00 0.00 57.16 57.23 3m3y n GLU 742 Cb 0.55 -1.77 -0.08 0.00 -0.06 0.00 0.00 31.44 30.09 3m3y n GLU 742 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3m3y h ILE 743 N 1.98 0.88 -1.72 6.31 1.08 -1.91 -3.44 117.51 120.69 3m3y h ILE 743 Ca -0.39 -1.16 0.09 0.00 -0.39 0.00 0.00 64.86 63.01 3m3y h ILE 743 Cb 1.35 1.48 -0.23 0.00 -3.07 0.00 0.00 36.82 36.35 3m3y h ILE 743 CO 0.62 0.23 0.09 -2.28 -0.69 0.00 0.00 178.15 176.11 3m3y s HIS 744 N -3.39 -0.98 0.53 1.37 2.46 -1.26 -4.91 115.29 109.11 3m3y s HIS 744 Ca -0.13 1.81 0.36 0.00 0.47 0.00 0.00 55.06 57.58 3m3y s HIS 744 Cb 0.00 0.59 1.53 0.00 -0.13 0.00 0.00 32.58 34.57 3m3y s HIS 744 CO 0.48 -0.48 1.77 -1.00 -2.47 0.00 0.00 174.74 173.04 3m3y h PRO 745 N 7.20 0.04 0.00 2.88 0.13 -1.89 0.36 132.00 140.71 3m3y h PRO 745 Ca -0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3m3y h PRO 745 Cb 1.16 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3m3y h PRO 745 CO 0.14 0.03 0.00 -1.13 -0.23 0.00 0.00 178.00 176.80 3m3y n SER 746 N -4.21 0.47 0.00 1.44 3.41 -1.26 -2.04 113.62 111.43 3m3y n SER 746 Ca 0.28 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.55 3m3y n SER 746 Cb 1.30 -0.71 0.35 0.00 -0.26 0.00 0.00 64.21 64.89 3m3y n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3m3y n MET 747 N -2.01 0.42 0.05 4.33 2.81 0.13 -3.06 117.12 119.79 3m3y n MET 747 Ca 0.03 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.04 3m3y n MET 747 Cb 0.24 -1.44 0.24 0.00 -0.71 0.00 0.00 33.22 31.55 3m3y n MET 747 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 3m3y n ILE 748 N -0.94 0.29 -3.38 2.02 -5.35 -0.86 -3.77 119.36 107.37 3m3y n ILE 748 Ca 0.09 -0.21 -0.29 0.00 -0.27 0.00 0.00 62.75 62.07 3m3y n ILE 748 Cb 0.04 -0.13 -0.04 0.00 -1.74 0.00 0.00 39.64 37.78 3m3y n ILE 748 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3m3y s LEU 749 N -3.95 4.09 0.06 7.28 1.43 -1.17 -4.24 118.68 122.17 3m3y s LEU 749 Ca 0.08 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 3m3y s LEU 749 Cb 0.14 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 3m3y s LEU 749 CO 0.69 -0.16 0.02 -0.83 0.23 0.00 0.00 176.35 176.30 3m3y s GLY 750 N -3.02 1.94 0.00 -3.19 0.00 -1.26 -1.72 107.32 100.06 3m3y s GLY 750 Ca 0.44 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 44.12 3m3y s GLY 750 CO 0.28 -0.98 0.00 1.55 0.00 0.00 0.00 173.10 173.95 3m3y n VAL 751 N 0.78 0.00 0.00 1.40 3.14 -1.26 -2.10 118.33 120.30 3m3y n VAL 751 Ca -0.11 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.09 3m3y n VAL 751 Cb 0.52 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.18 3m3y n VAL 751 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3m3y h ALA 752 N 0.00 0.01 0.00 1.55 0.00 -1.94 -2.95 119.26 115.93 3m3y h ALA 752 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3m3y h ALA 752 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3m3y h ALA 752 CO 0.00 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3m3y h ALA 753 N 0.20 1.00 0.00 0.00 0.00 -1.77 -3.23 119.26 115.47 3m3y h ALA 753 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3m3y h ALA 753 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3m3y h ALA 753 CO 0.10 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.78 3m3y n SER 754 N -2.86 0.05 0.06 0.00 7.64 -1.11 -2.45 113.62 114.94 3m3y n SER 754 Ca -0.01 0.51 -0.06 0.00 1.01 0.00 0.00 58.87 60.32 3m3y n SER 754 Cb 0.17 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.74 3m3y n SER 754 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3m3y h ILE 755 N 0.00 1.56 -2.72 0.44 1.08 -1.71 -3.41 117.51 112.76 3m3y h ILE 755 Ca 0.00 -3.26 -0.55 0.00 -0.39 0.00 0.00 64.86 60.67 3m3y h ILE 755 Cb 0.23 2.77 -0.00 0.00 -3.07 0.00 0.00 36.82 36.74 3m3y h ILE 755 CO 0.00 0.89 1.00 -0.63 -0.69 0.00 0.00 178.15 178.72 3m3y s ILE 756 N -2.72 3.56 0.28 -0.67 1.01 -1.02 -4.90 121.20 116.74 3m3y s ILE 756 Ca 0.01 0.81 -0.28 0.00 0.00 0.00 0.00 60.65 61.19 3m3y s ILE 756 Cb 0.10 -3.53 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 3m3y s ILE 756 CO 0.81 -0.04 0.99 -2.16 0.00 0.00 0.00 174.94 174.55 3m3y s PRO 757 N 3.35 4.67 -1.52 2.79 0.04 -1.26 -3.96 135.00 139.11 3m3y s PRO 757 Ca 0.70 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 3m3y s PRO 757 Cb -0.33 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.17 3m3y s PRO 757 CO 0.28 0.32 0.36 1.19 0.04 0.00 0.00 177.00 179.19 3m3y n PHE 758 N 1.05 -1.53 0.31 0.56 0.99 -0.61 -4.84 117.46 113.39 3m3y n PHE 758 Ca -0.00 0.71 0.19 0.00 -0.00 0.00 0.00 57.45 58.35 3m3y n PHE 758 Cb 0.47 -3.25 1.03 0.00 -1.00 0.00 0.00 39.48 36.73 3m3y n PHE 758 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3m3y h PRO 759 N -1.72 0.00 -0.35 -1.08 0.13 -1.84 -2.01 132.00 125.13 3m3y h PRO 759 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 3m3y h PRO 759 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3m3y h PRO 759 CO 0.69 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07 3m3y n ASP 760 N -3.45 0.35 0.00 1.44 5.75 -1.26 -1.53 116.55 117.85 3m3y n ASP 760 Ca -0.03 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 3m3y n ASP 760 Cb 0.10 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3m3y n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3m3y n HIS 761 N -0.28 0.00 -4.25 2.11 8.25 -0.75 -5.06 115.22 115.24 3m3y n HIS 761 Ca 0.00 -0.23 -0.32 0.00 -0.26 0.00 0.00 57.72 56.91 3m3y n HIS 761 Cb 0.09 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 3m3y n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3m3y s ASN 762 N -0.46 5.12 0.18 0.41 0.02 -0.58 -3.80 114.94 115.84 3m3y s ASN 762 Ca 0.00 -0.04 -0.32 0.00 -1.02 0.00 0.00 52.86 51.48 3m3y s ASN 762 Cb 0.00 -1.32 -0.11 0.00 0.02 0.00 0.00 41.25 39.84 3m3y s ASN 762 CO 0.00 0.26 1.70 -1.58 0.02 0.00 0.00 177.10 177.50 3m3y s GLN 763 N -1.73 4.15 0.10 -0.60 0.74 -1.20 -4.92 119.66 116.19 3m3y s GLN 763 Ca 0.21 2.55 -0.26 0.00 0.05 0.00 0.00 55.36 57.91 3m3y s GLN 763 Cb -0.12 -3.17 -0.08 0.00 1.10 0.00 0.00 33.01 30.74 3m3y s GLN 763 CO 0.12 -0.73 1.43 0.77 -0.55 0.00 0.00 175.29 176.33 3m3y h SER 764 N 7.09 -1.49 -1.76 6.67 0.02 -1.94 -1.52 113.55 120.61 3m3y h SER 764 Ca -0.43 0.20 0.51 0.00 -0.84 0.00 0.00 61.79 61.23 3m3y h SER 764 Cb 1.20 0.62 -0.07 0.00 0.14 0.00 0.00 62.40 64.29 3m3y h SER 764 CO 0.95 -0.30 1.38 -0.65 -1.14 0.00 0.00 176.83 177.07 3m3y h PRO 765 N -0.28 0.00 -0.28 3.45 0.10 -1.99 0.80 132.00 133.81 3m3y h PRO 765 Ca 0.06 0.00 -0.14 0.00 0.10 0.00 0.00 66.00 66.02 3m3y h PRO 765 Cb 0.45 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.55 3m3y h PRO 765 CO -0.50 0.00 -0.39 0.00 0.10 0.00 0.00 178.00 177.21 3m3y h ARG 766 N 0.00 0.75 -0.70 1.05 2.47 -1.61 0.58 114.38 116.92 3m3y h ARG 766 Ca 0.84 -0.44 -0.03 0.00 -1.26 0.00 0.00 59.98 59.09 3m3y h ARG 766 Cb 3.59 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 31.92 3m3y h ARG 766 CO -0.01 1.06 0.32 -0.91 0.56 0.00 0.00 179.97 180.99 3m3y h ASN 767 N 0.50 0.92 0.11 7.04 2.35 0.54 0.25 115.58 127.28 3m3y h ASN 767 Ca 0.03 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3m3y h ASN 767 Cb 0.98 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3m3y h ASN 767 CO 0.09 0.79 -0.05 0.74 -1.65 0.00 0.00 177.43 177.35 3m3y h THR 768 N 1.00 0.98 -0.69 2.81 2.02 -1.20 -2.78 112.91 115.05 3m3y h THR 768 Ca 0.24 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 67.16 3m3y h THR 768 Cb 0.13 1.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 3m3y h THR 768 CO -0.03 0.09 0.32 1.88 0.37 0.00 0.00 175.52 178.15 3m3y h TYR 769 N -0.31 0.58 0.00 3.16 0.99 0.05 0.47 116.97 121.91 3m3y h TYR 769 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3m3y h TYR 769 Cb 0.26 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 37.83 3m3y h TYR 769 CO -0.02 0.19 0.00 0.37 -0.00 0.00 0.00 178.16 178.70 3m3y h GLN 770 N 0.55 0.00 0.16 4.88 5.75 -0.55 -2.64 115.11 123.26 3m3y h GLN 770 Ca 0.35 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.55 3m3y h GLN 770 Cb 0.39 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.95 3m3y h GLN 770 CO -0.28 0.00 -1.31 0.77 -2.65 0.00 0.00 178.83 175.36 3m3y h SER 771 N 0.00 0.56 0.23 -0.69 0.02 0.22 -1.22 113.55 112.68 3m3y h SER 771 Ca 0.00 -0.60 -0.08 0.00 -0.84 0.00 0.00 61.79 60.28 3m3y h SER 771 Cb 0.25 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3m3y h SER 771 CO 0.00 1.46 -0.31 0.00 -1.14 0.00 0.00 176.83 176.85 3m3y h ALA 772 N 0.45 1.36 0.00 3.77 0.00 -1.09 -3.29 119.26 120.47 3m3y h ALA 772 Ca -0.17 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 3m3y h ALA 772 Cb 2.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.71 3m3y h ALA 772 CO 0.23 0.46 -1.63 -1.33 0.00 0.00 0.00 179.25 176.97 3m3y n MET 773 N -4.14 0.64 0.25 0.00 2.00 -1.03 -3.79 117.12 111.05 3m3y n MET 773 Ca -0.01 0.13 0.09 0.00 0.00 0.00 0.00 57.70 57.91 3m3y n MET 773 Cb 0.38 -1.73 0.66 0.00 0.00 0.00 0.00 33.22 32.53 3m3y n MET 773 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3m3y h GLY 774 N 3.81 0.00 2.00 3.03 0.00 -1.28 -2.21 103.07 108.41 3m3y h GLY 774 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3m3y h GLY 774 CO 0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.86 3m3y n LYS 775 N -4.15 0.18 -0.89 4.80 5.02 -1.25 -3.26 118.16 118.62 3m3y n LYS 775 Ca -0.03 0.31 -0.01 0.00 -2.02 0.00 0.00 58.31 56.57 3m3y n LYS 775 Cb 0.18 -1.78 0.17 0.00 -0.02 0.00 0.00 35.03 33.58 3m3y n LYS 775 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m3y n GLN 776 N -2.11 1.99 -3.58 1.97 10.64 -0.83 -4.40 117.38 121.05 3m3y n GLN 776 Ca 0.04 -3.45 -0.40 0.00 -1.83 0.00 0.00 57.00 51.35 3m3y n GLN 776 Cb 0.29 -1.77 -0.11 0.00 -0.86 0.00 0.00 30.24 27.79 3m3y n GLN 776 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3m3y s ALA 777 N -3.31 3.38 0.63 2.61 0.00 -1.20 -2.69 121.76 121.18 3m3y s ALA 777 Ca 0.41 -1.46 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 3m3y s ALA 777 Cb 0.38 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 3m3y s ALA 777 CO -0.04 -1.05 1.19 -1.33 0.00 0.00 0.00 175.76 174.53 3m3y n MET 778 N 5.05 1.06 -3.46 0.00 2.81 -0.19 -4.46 117.12 117.92 3m3y n MET 778 Ca -0.13 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 3m3y n MET 778 Cb 0.49 -2.42 0.00 0.00 -0.71 0.00 0.00 33.22 30.58 3m3y n MET 778 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m3y n GLY 779 N 1.04 -1.15 3.60 3.03 0.00 -1.26 -3.65 105.19 106.80 3m3y n GLY 779 Ca 0.15 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 3m3y n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m3y s VAL 780 N -3.00 3.40 -0.06 1.61 1.01 -1.24 -4.22 120.40 117.89 3m3y s VAL 780 Ca 0.00 0.41 0.12 0.00 0.00 0.00 0.00 61.98 62.51 3m3y s VAL 780 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3m3y s VAL 780 CO 0.00 -0.34 1.35 2.19 0.00 0.00 0.00 175.10 178.30 3m3y h PHE 781 N 13.16 0.00 -1.88 5.22 -5.15 -1.85 -3.37 116.94 123.07 3m3y h PHE 781 Ca -0.35 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.40 3m3y h PHE 781 Cb 1.18 0.00 -0.21 0.00 0.22 0.00 0.00 35.95 37.14 3m3y h PHE 781 CO 0.95 0.68 0.26 -0.51 -2.00 0.00 0.00 178.31 177.69 3m3y s LEU 782 N -6.51 -0.62 0.63 2.10 1.43 -1.26 -4.19 118.68 110.26 3m3y s LEU 782 Ca 0.03 0.94 0.29 0.00 -1.03 0.00 0.00 54.13 54.36 3m3y s LEU 782 Cb 0.08 2.33 1.55 0.00 0.03 0.00 0.00 46.19 50.18 3m3y s LEU 782 CO 0.77 -0.39 1.91 0.74 0.23 0.00 0.00 176.35 179.62 3m3y h THR 783 N 3.36 0.19 -0.91 5.49 2.02 -1.97 -2.81 112.91 118.27 3m3y h THR 783 Ca -0.27 0.00 -0.42 0.00 0.77 0.00 0.00 66.41 66.49 3m3y h THR 783 Cb 1.15 0.65 -0.25 0.00 -1.74 0.00 0.00 68.15 67.96 3m3y h THR 783 CO 0.22 0.00 0.53 -0.46 0.37 0.00 0.00 175.52 176.18 3m3y n ASN 784 N -3.29 4.06 0.26 4.18 6.94 -1.26 -4.50 115.26 121.65 3m3y n ASN 784 Ca 0.03 -3.50 0.12 0.00 -0.02 0.00 0.00 54.58 51.21 3m3y n ASN 784 Cb 0.51 -0.81 0.70 0.00 -2.36 0.00 0.00 39.78 37.81 3m3y n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3m3y h TYR 785 N 1.51 0.00 0.00 -2.53 -0.00 -1.89 -2.43 116.97 111.63 3m3y h TYR 785 Ca 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.20 3m3y h TYR 785 Cb 2.70 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 39.42 3m3y h TYR 785 CO 1.50 0.13 -0.22 -0.97 -0.00 0.00 0.00 178.16 178.60 3m3y h ASN 786 N 0.00 0.00 -0.19 0.10 -0.00 -1.89 -2.81 115.58 110.79 3m3y h ASN 786 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3m3y h ASN 786 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.66 3m3y h ASN 786 CO 0.02 0.22 0.00 1.33 -0.00 0.00 0.00 177.43 179.00 3m3y n VAL 787 N -4.01 0.26 -2.72 2.57 0.24 -0.93 -4.94 118.33 108.81 3m3y n VAL 787 Ca -0.02 -0.63 -0.23 0.00 -2.04 0.00 0.00 64.34 61.42 3m3y n VAL 787 Cb 0.30 1.19 0.03 0.00 -1.47 0.00 0.00 33.84 33.89 3m3y n VAL 787 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3m3y s ARG 788 N -1.55 2.81 -0.50 7.34 0.52 -1.06 -5.04 118.95 121.46 3m3y s ARG 788 Ca 0.30 -0.49 0.08 0.00 -0.52 0.00 0.00 55.73 55.09 3m3y s ARG 788 Cb 0.19 -2.46 0.29 0.00 0.52 0.00 0.00 34.95 33.49 3m3y s ARG 788 CO 0.27 -0.56 0.72 -1.33 0.02 0.00 0.00 175.30 174.42 3m3y n MET 789 N -2.31 1.84 -3.14 3.54 2.81 -1.26 -5.01 117.12 113.59 3m3y n MET 789 Ca 0.04 -4.04 -0.33 0.00 -1.81 0.00 0.00 57.70 51.57 3m3y n MET 789 Cb 0.58 -1.84 -0.06 0.00 -0.71 0.00 0.00 33.22 31.19 3m3y n MET 789 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3m3y s ASP 790 N -2.30 6.81 0.17 7.83 1.01 -1.26 -4.88 116.67 124.05 3m3y s ASP 790 Ca 0.40 1.29 -0.32 0.00 0.71 0.00 0.00 52.55 54.63 3m3y s ASP 790 Cb 0.22 -2.37 -0.11 0.00 1.01 0.00 0.00 42.92 41.67 3m3y s ASP 790 CO -0.08 -0.17 1.74 -0.89 0.21 0.00 0.00 175.17 175.98 3m3y s THR 791 N -1.91 2.31 0.02 -1.27 2.01 -1.26 -3.47 115.64 112.08 3m3y s THR 791 Ca 0.52 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.62 3m3y s THR 791 Cb -0.11 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.33 3m3y s THR 791 CO 0.18 0.00 0.00 0.23 -0.69 0.00 0.00 174.62 174.34 3m3y n MET 792 N 4.64 -4.60 -3.71 4.92 0.00 -1.05 -4.83 117.12 112.50 3m3y n MET 792 Ca 0.16 3.39 -0.13 0.00 0.00 0.00 0.00 57.70 61.12 3m3y n MET 792 Cb 0.37 -4.22 -0.14 0.00 0.00 0.00 0.00 33.22 29.23 3m3y n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3m3y s ALA 793 N -0.53 -0.47 -0.15 3.04 0.00 -0.43 -4.96 121.76 118.27 3m3y s ALA 793 Ca 0.00 0.88 0.02 0.00 0.00 0.00 0.00 51.96 52.86 3m3y s ALA 793 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3m3y s ALA 793 CO 0.00 -0.34 -0.19 -0.80 0.00 0.00 0.00 175.76 174.43 3m3y s ASN 794 N 1.66 3.35 -0.08 0.00 0.01 -1.26 -0.90 114.94 117.72 3m3y s ASN 794 Ca -0.05 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.57 3m3y s ASN 794 Cb -0.11 -1.50 0.02 0.00 0.41 0.00 0.00 41.25 40.07 3m3y s ASN 794 CO -0.08 0.08 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.87 3m3y s ILE 795 N 0.81 1.03 0.09 0.60 1.09 -0.91 -4.30 121.20 119.61 3m3y s ILE 795 Ca -0.06 -0.38 -0.31 0.00 -1.10 0.00 0.00 60.65 58.80 3m3y s ILE 795 Cb -0.15 -0.98 -0.06 0.00 -1.06 0.00 0.00 42.46 40.20 3m3y s ILE 795 CO -0.01 0.34 1.21 -0.22 -0.10 0.00 0.00 174.94 176.16 3m3y s LEU 796 N 1.01 4.39 0.12 2.97 2.96 -1.26 0.27 118.68 129.13 3m3y s LEU 796 Ca -0.08 2.07 -0.30 0.00 -0.22 0.00 0.00 54.13 55.60 3m3y s LEU 796 Cb -0.15 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 3m3y s LEU 796 CO -0.00 -0.46 1.59 1.88 -1.32 0.00 0.00 176.35 178.04 3m3y h TYR 797 N 6.49 -1.16 -2.18 5.38 -1.99 -1.13 -3.36 116.97 119.02 3m3y h TYR 797 Ca -0.42 0.03 -0.58 0.00 2.00 0.00 0.00 58.73 59.76 3m3y h TYR 797 Cb 1.21 0.50 -0.41 0.00 2.00 0.00 0.00 36.73 40.03 3m3y h TYR 797 CO 0.66 -0.50 -0.72 0.66 -0.00 0.00 0.00 178.16 178.26 3m3y n TYR 798 N -5.45 3.01 -0.87 4.88 4.02 -1.26 -5.09 117.16 116.40 3m3y n TYR 798 Ca -0.06 -4.01 -0.34 0.00 -0.01 0.00 0.00 57.90 53.47 3m3y n TYR 798 Cb 0.37 -0.50 0.09 0.00 -0.02 0.00 0.00 39.34 39.28 3m3y n TYR 798 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3m3y n PRO 799 N 0.53 -0.23 -3.64 -0.72 -0.02 -1.26 -4.89 135.00 124.78 3m3y n PRO 799 Ca 0.29 -0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.70 3m3y n PRO 799 Cb 0.44 -1.51 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 3m3y n PRO 799 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3m3y s GLN 800 N -2.98 0.52 0.01 -0.52 -0.21 -1.15 -5.01 119.66 110.32 3m3y s GLN 800 Ca 0.50 1.35 -0.30 0.00 0.02 0.00 0.00 55.36 56.93 3m3y s GLN 800 Cb -0.19 0.75 -0.08 0.00 1.00 0.00 0.00 33.01 34.49 3m3y s GLN 800 CO 0.73 -0.23 1.82 -1.59 -2.12 0.00 0.00 175.29 173.91 3m3y s LYS 801 N 2.84 4.16 0.57 2.91 -2.85 -1.26 -4.61 119.74 121.49 3m3y s LYS 801 Ca -0.04 2.44 -0.19 0.00 -1.00 0.00 0.00 55.97 57.18 3m3y s LYS 801 Cb -0.12 -4.02 -0.06 0.00 -2.06 0.00 0.00 37.83 31.57 3m3y s LYS 801 CO -0.18 -0.89 0.90 -0.35 0.10 0.00 0.00 175.35 174.93 3m3y n PRO 802 N 7.12 0.91 0.03 1.78 -0.04 -1.26 -4.95 135.00 138.59 3m3y n PRO 802 Ca 0.18 0.35 -0.12 0.00 -0.04 0.00 0.00 63.50 63.87 3m3y n PRO 802 Cb 0.41 -2.07 -0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3m3y n PRO 802 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3m3y h LEU 803 N 0.61 0.61 -9.04 1.53 3.38 -1.93 -3.42 115.31 107.05 3m3y h LEU 803 Ca -0.47 -0.40 -0.63 0.00 0.09 0.00 0.00 57.88 56.47 3m3y h LEU 803 Cb 1.37 -0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.76 3m3y h LEU 803 CO 0.51 1.16 -0.60 -0.83 0.09 0.00 0.00 178.44 178.78 3m3y s GLY 804 N -4.26 1.85 0.00 0.83 0.00 -1.26 -2.27 107.32 102.21 3m3y s GLY 804 Ca -0.07 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3m3y s GLY 804 CO 0.86 -0.03 0.00 -1.30 0.00 0.00 0.00 173.10 172.63 3m3y n THR 805 N 3.43 0.00 -3.81 0.90 -2.24 0.53 -4.82 114.28 108.26 3m3y n THR 805 Ca -0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3m3y n THR 805 Cb 0.52 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 3m3y n THR 805 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3m3y s THR 806 N -1.15 -0.01 0.46 4.28 2.01 -1.26 -0.24 115.64 119.73 3m3y s THR 806 Ca 0.00 0.04 0.15 0.00 0.31 0.00 0.00 61.69 62.19 3m3y s THR 806 Cb 0.00 -0.19 0.32 0.00 0.01 0.00 0.00 72.50 72.64 3m3y s THR 806 CO 0.00 0.02 2.03 0.03 -0.69 0.00 0.00 174.62 176.00 3m3y h ARG 807 N 6.24 0.28 0.00 4.92 2.47 -1.92 -0.25 114.38 126.12 3m3y h ARG 807 Ca -0.29 -0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.37 3m3y h ARG 807 Cb 1.19 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 3m3y h ARG 807 CO 0.43 0.18 -0.23 0.00 0.56 0.00 0.00 179.97 180.92 3m3y h ALA 808 N 1.77 1.28 -0.42 0.04 0.00 -1.96 -2.88 119.26 117.09 3m3y h ALA 808 Ca 0.20 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3m3y h ALA 808 Cb 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3m3y h ALA 808 CO -0.04 0.28 0.48 0.52 0.00 0.00 0.00 179.25 180.49 3m3y h MET 809 N 0.00 0.00 -0.76 0.00 2.86 -1.26 -1.71 114.93 114.06 3m3y h MET 809 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3m3y h MET 809 Cb 0.52 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.13 3m3y h MET 809 CO 0.03 0.00 0.45 1.49 1.06 0.00 0.00 176.91 179.94 3m3y h GLU 810 N 0.00 0.82 -0.00 1.72 4.57 -1.66 -1.19 114.58 118.85 3m3y h GLU 810 Ca 0.20 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3m3y h GLU 810 Cb 1.17 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 3m3y h GLU 810 CO -0.00 0.54 -0.56 0.66 -1.18 0.00 0.00 179.01 178.47 3m3y n TYR 811 N -4.69 0.00 0.97 0.92 4.02 -0.65 -3.35 117.16 114.38 3m3y n TYR 811 Ca 0.10 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.10 3m3y n TYR 811 Cb 0.15 -0.16 0.06 0.00 -0.02 0.00 0.00 39.34 39.37 3m3y n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3m3y n LEU 812 N -1.28 2.63 -3.41 7.72 4.77 -0.84 -4.96 117.00 121.62 3m3y n LEU 812 Ca 0.07 -0.92 -0.24 0.00 -0.03 0.00 0.00 56.01 54.88 3m3y n LEU 812 Cb 0.34 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.48 3m3y n LEU 812 CO 0.35 0.45 0.11 0.29 -1.33 0.00 0.00 177.39 177.26 3m3y n LYS 813 N 0.87 -6.14 0.08 3.23 4.76 -0.51 -4.87 118.16 115.59 3m3y n LYS 813 Ca 0.12 0.80 -0.13 0.00 -2.87 0.00 0.00 58.31 56.23 3m3y n LYS 813 Cb 0.54 -5.74 -0.06 0.00 -1.84 0.00 0.00 35.03 27.93 3m3y n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3m3y h PHE 814 N -2.00 0.54 0.00 2.13 3.57 -1.76 -2.82 116.94 116.61 3m3y h PHE 814 Ca -0.55 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 60.64 3m3y h PHE 814 Cb 1.36 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.05 3m3y h PHE 814 CO 0.54 1.16 0.00 0.00 -2.23 0.00 0.00 178.31 177.77 3m3y h ARG 815 N 0.17 0.00 0.00 1.11 2.47 -1.90 -0.91 114.38 115.33 3m3y h ARG 815 Ca -0.09 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.49 3m3y h ARG 815 Cb 1.67 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.96 3m3y h ARG 815 CO 0.17 0.00 -2.03 0.39 0.56 0.00 0.00 179.97 179.06 3m3y n GLU 816 N -3.03 0.66 -2.60 0.04 4.71 -1.19 -4.58 120.64 114.66 3m3y n GLU 816 Ca -0.00 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.16 56.95 3m3y n GLU 816 Cb 0.25 -1.56 0.03 0.00 -1.01 0.00 0.00 31.44 29.15 3m3y n GLU 816 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3m3y n LEU 817 N -2.51 2.46 -4.71 -4.62 4.32 -1.07 -5.08 117.00 105.79 3m3y n LEU 817 Ca -0.14 -3.97 -0.31 0.00 -0.02 0.00 0.00 56.01 51.57 3m3y n LEU 817 Cb 0.80 0.19 0.13 0.00 -1.62 0.00 0.00 43.42 42.91 3m3y n LEU 817 CO 0.44 1.64 0.70 -2.16 -1.22 0.00 0.00 177.39 176.79 3m3y s PRO 818 N -3.40 1.60 -0.33 3.23 0.04 -0.36 -4.64 135.00 131.14 3m3y s PRO 818 Ca 0.34 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.82 3m3y s PRO 818 Cb 0.41 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 33.29 3m3y s PRO 818 CO -0.02 -2.18 0.25 0.00 0.04 0.00 0.00 177.00 175.09 3m3y s ALA 819 N -2.65 0.24 0.00 8.56 0.00 -1.26 -3.73 121.76 122.92 3m3y s ALA 819 Ca 0.66 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3m3y s ALA 819 Cb -0.22 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3m3y s ALA 819 CO 0.55 -1.94 0.00 0.41 0.00 0.00 0.00 175.76 174.79 3m3y n GLY 820 N 4.61 4.38 3.55 0.00 0.00 -1.24 -4.77 105.19 111.72 3m3y n GLY 820 Ca 0.05 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.56 3m3y n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m3y s GLN 821 N -3.28 1.86 -0.98 1.61 -0.21 -0.44 -2.92 119.66 115.30 3m3y s GLN 821 Ca 0.00 -2.08 -0.04 0.00 0.02 0.00 0.00 55.36 53.27 3m3y s GLN 821 Cb 0.00 -1.16 0.26 0.00 1.00 0.00 0.00 33.01 33.11 3m3y s GLN 821 CO 0.00 -0.21 1.02 0.09 -2.12 0.00 0.00 175.29 174.07 3m3y n ASN 822 N -0.94 5.00 -4.72 5.90 3.02 -1.26 -1.10 115.26 121.16 3m3y n ASN 822 Ca -0.06 -3.19 -0.42 0.00 -0.03 0.00 0.00 54.58 50.88 3m3y n ASN 822 Cb 0.67 -1.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.65 3m3y n ASN 822 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m3y s ALA 823 N -1.75 3.50 -0.41 5.41 0.00 -1.20 -4.69 121.76 122.62 3m3y s ALA 823 Ca 0.30 1.00 -0.28 0.00 0.00 0.00 0.00 51.96 52.98 3m3y s ALA 823 Cb -0.03 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3m3y s ALA 823 CO -0.06 -0.52 1.85 0.42 0.00 0.00 0.00 175.76 177.45 3m3y s ILE 824 N 0.98 3.42 0.07 0.00 -1.09 -1.26 -2.75 121.20 120.57 3m3y s ILE 824 Ca 0.61 0.39 0.10 0.00 -2.23 0.00 0.00 60.65 59.51 3m3y s ILE 824 Cb -0.33 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 3m3y s ILE 824 CO 0.30 -0.51 -0.26 0.54 -1.23 0.00 0.00 174.94 173.78 3m3y s VAL 825 N 7.72 2.11 -0.08 2.92 0.11 -0.25 0.92 120.40 133.85 3m3y s VAL 825 Ca 0.78 -1.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.37 3m3y s VAL 825 Cb -0.20 -1.82 0.01 0.00 -1.53 0.00 0.00 36.38 32.84 3m3y s VAL 825 CO 0.30 0.26 -0.14 0.00 -3.33 0.00 0.00 175.10 172.19 3m3y s ALA 826 N -0.89 1.41 -0.39 1.54 0.00 0.39 -2.17 121.76 121.65 3m3y s ALA 826 Ca 0.12 -0.52 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 3m3y s ALA 826 Cb -0.10 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.39 3m3y s ALA 826 CO 0.03 0.08 0.61 0.42 0.00 0.00 0.00 175.76 176.90 3m3y s ILE 827 N 0.73 4.90 -0.18 0.00 1.01 -1.14 -0.61 121.20 125.91 3m3y s ILE 827 Ca -0.13 0.30 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 3m3y s ILE 827 Cb -0.16 -4.11 0.11 0.00 0.01 0.00 0.00 42.46 38.32 3m3y s ILE 827 CO 0.03 -0.42 0.92 0.00 0.00 0.00 0.00 174.94 175.47 3m3y s ALA 828 N 2.67 -1.90 -0.29 9.38 0.00 -0.75 -4.10 121.76 126.77 3m3y s ALA 828 Ca 0.22 1.66 -0.25 0.00 0.00 0.00 0.00 51.96 53.59 3m3y s ALA 828 Cb -0.15 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.16 3m3y s ALA 828 CO 0.16 -0.30 0.85 0.00 0.00 0.00 0.00 175.76 176.47 3m3y n TYR 830 N 6.25 0.00 0.48 0.00 9.36 -1.26 -4.87 117.16 127.12 3m3y n TYR 830 Ca 0.06 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.37 3m3y n TYR 830 Cb 0.48 0.00 0.40 0.00 -0.63 0.00 0.00 39.34 39.58 3m3y n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3m3y n SER 831 N 0.00 0.30 0.00 2.98 3.41 -1.26 -4.84 113.62 114.20 3m3y n SER 831 Ca 0.00 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 3m3y n SER 831 Cb 0.00 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 3m3y n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m3y n GLY 832 N 0.09 0.59 1.62 5.00 0.00 -1.26 -4.94 105.19 106.28 3m3y n GLY 832 Ca 0.03 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.67 3m3y n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m3y n TYR 833 N -2.74 1.69 -2.23 1.61 4.02 -1.26 -4.16 117.16 114.10 3m3y n TYR 833 Ca 0.00 -0.64 -0.09 0.00 -0.01 0.00 0.00 57.90 57.16 3m3y n TYR 833 Cb 0.00 -0.45 0.06 0.00 -0.02 0.00 0.00 39.34 38.93 3m3y n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3m3y n ASN 834 N 0.39 3.03 -4.89 7.72 6.94 -1.26 -4.35 115.26 122.84 3m3y n ASN 834 Ca 0.24 -3.10 -0.29 0.00 -0.02 0.00 0.00 54.58 51.41 3m3y n ASN 834 Cb 1.03 -0.41 -0.02 0.00 -2.36 0.00 0.00 39.78 38.02 3m3y n ASN 834 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3m3y s GLN 835 N -3.22 3.66 -1.34 -3.83 -0.21 -1.26 -4.15 119.66 109.31 3m3y s GLN 835 Ca 0.40 0.24 -0.03 0.00 0.02 0.00 0.00 55.36 55.99 3m3y s GLN 835 Cb 0.38 -2.46 0.02 0.00 1.00 0.00 0.00 33.01 31.95 3m3y s GLN 835 CO -0.02 -0.02 0.84 0.39 -2.12 0.00 0.00 175.29 174.35 3m3y n GLU 836 N -1.53 -5.53 -2.69 2.91 -0.58 -1.26 -2.26 120.64 109.69 3m3y n GLU 836 Ca 0.01 0.67 -0.16 0.00 -0.42 0.00 0.00 57.16 57.25 3m3y n GLU 836 Cb 0.54 -5.40 0.02 0.00 -0.57 0.00 0.00 31.44 26.04 3m3y n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3m3y n ASP 837 N -3.02 -4.84 -4.86 1.62 8.00 -1.26 -5.02 116.55 107.16 3m3y n ASP 837 Ca -0.21 -0.17 -0.25 0.00 0.71 0.00 0.00 54.79 54.87 3m3y n ASP 837 Cb 0.64 -3.76 -0.03 0.00 -0.02 0.00 0.00 41.12 37.96 3m3y n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3m3y s SER 838 N -2.68 4.66 0.10 -2.24 1.04 -0.96 -3.04 113.70 110.58 3m3y s SER 838 Ca 0.17 -1.12 -0.15 0.00 0.48 0.00 0.00 55.95 55.34 3m3y s SER 838 Cb -0.08 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.11 3m3y s SER 838 CO 0.21 -0.89 0.35 0.00 0.98 0.00 0.00 173.24 173.89 3m3y s MET 839 N -4.16 0.97 -0.17 4.02 0.23 0.56 -4.37 119.30 116.37 3m3y s MET 839 Ca 0.38 -0.68 -0.03 0.00 -1.03 0.00 0.00 55.69 54.32 3m3y s MET 839 Cb -0.01 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.69 3m3y s MET 839 CO 0.22 -0.35 -0.06 0.42 -2.03 0.00 0.00 175.02 173.22 3m3y s ILE 840 N -3.46 3.56 0.16 3.16 1.01 -0.87 -0.59 121.20 124.16 3m3y s ILE 840 Ca 0.01 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.26 3m3y s ILE 840 Cb 0.02 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 3m3y s ILE 840 CO -0.09 0.48 0.02 -0.32 0.00 0.00 0.00 174.94 175.03 3m3y s MET 841 N 0.65 2.52 -0.89 2.79 1.75 -0.65 -0.45 119.30 125.02 3m3y s MET 841 Ca -0.03 -1.02 -0.19 0.00 -1.25 0.00 0.00 55.69 53.20 3m3y s MET 841 Cb -0.15 -2.44 0.13 0.00 2.84 0.00 0.00 34.83 35.21 3m3y s MET 841 CO 0.02 0.47 1.08 1.21 -0.65 0.00 0.00 175.02 177.16 3m3y s ASN 842 N -2.86 6.59 0.25 1.11 2.47 -0.38 -2.36 114.94 119.76 3m3y s ASN 842 Ca 0.28 -1.98 -0.03 0.00 0.42 0.00 0.00 52.86 51.55 3m3y s ASN 842 Cb -0.10 -2.39 0.51 0.00 -1.45 0.00 0.00 41.25 37.83 3m3y s ASN 842 CO 0.19 -1.07 1.35 1.67 -3.72 0.00 0.00 177.10 175.52 3m3y n GLN 843 N 6.50 -0.07 -0.01 0.43 -0.06 0.22 0.58 117.38 124.96 3m3y n GLN 843 Ca 0.20 1.32 -0.10 0.00 -2.00 0.00 0.00 57.00 56.43 3m3y n GLN 843 Cb 0.49 -2.03 -0.04 0.00 -4.06 0.00 0.00 30.24 24.60 3m3y n GLN 843 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 3m3y h SER 844 N 0.00 -0.97 0.85 1.69 0.02 -1.89 -2.26 113.55 110.99 3m3y h SER 844 Ca 0.46 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 3m3y h SER 844 Cb 0.83 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3m3y h SER 844 CO -0.85 -0.34 0.00 0.77 -1.14 0.00 0.00 176.83 175.26 3m3y h SER 845 N -0.36 0.00 -0.56 3.07 4.64 -0.21 -0.18 113.55 119.95 3m3y h SER 845 Ca 0.11 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.36 3m3y h SER 845 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 3m3y h SER 845 CO -0.37 0.00 0.09 0.40 -0.87 0.00 0.00 176.83 176.08 3m3y h ILE 846 N 0.00 1.25 0.00 0.95 2.04 -0.77 -2.16 117.51 118.82 3m3y h ILE 846 Ca 0.00 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 3m3y h ILE 846 Cb 0.43 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3m3y h ILE 846 CO 0.00 0.36 -0.11 0.44 0.00 0.00 0.00 178.15 178.84 3m3y h ASP 847 N 0.91 0.00 -0.02 1.72 3.32 -0.68 -2.11 116.42 119.56 3m3y h ASP 847 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3m3y h ASP 847 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3m3y h ASP 847 CO 0.01 0.11 0.00 0.54 -1.72 0.00 0.00 179.24 178.18 3m3y n ARG 848 N -3.89 1.73 0.00 3.56 1.74 -0.86 -4.90 116.66 114.04 3m3y n ARG 848 Ca -0.02 -1.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 3m3y n ARG 848 Cb 0.21 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3m3y n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m3y n GLY 849 N 1.19 1.54 3.65 -0.13 0.00 -0.79 -5.09 105.19 105.56 3m3y n GLY 849 Ca 0.19 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.68 3m3y n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3m3y n LEU 850 N 0.00 2.38 -3.76 0.99 7.94 -0.93 -2.71 117.00 120.90 3m3y n LEU 850 Ca 0.00 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.68 3m3y n LEU 850 Cb 0.00 -1.24 0.03 0.00 0.53 0.00 0.00 43.42 42.73 3m3y n LEU 850 CO 0.00 -0.59 -0.12 0.49 -1.11 0.00 0.00 177.39 176.06 3m3y n PHE 851 N 4.11 -1.82 -3.99 1.96 0.99 -1.26 -4.65 117.46 112.79 3m3y n PHE 851 Ca 0.21 0.52 -0.32 0.00 -0.00 0.00 0.00 57.45 57.86 3m3y n PHE 851 Cb 0.20 -3.53 -0.06 0.00 -1.00 0.00 0.00 39.48 35.10 3m3y n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3m3y s ARG 852 N -6.18 3.21 0.07 -1.08 0.52 -1.10 -4.12 118.95 110.28 3m3y s ARG 852 Ca 0.34 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 3m3y s ARG 852 Cb -0.13 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 3m3y s ARG 852 CO 0.87 0.63 -0.10 -1.54 0.02 0.00 0.00 175.30 175.18 3m3y s SER 853 N -2.12 1.27 0.31 0.23 1.04 -1.04 -0.48 113.70 112.90 3m3y s SER 853 Ca 0.28 -0.71 -0.27 0.00 0.48 0.00 0.00 55.95 55.74 3m3y s SER 853 Cb -0.12 0.01 -0.10 0.00 0.10 0.00 0.00 66.02 65.92 3m3y s SER 853 CO 0.20 -0.23 0.96 -0.76 0.98 0.00 0.00 173.24 174.40 3m3y s LEU 854 N -2.08 4.41 -0.06 2.42 1.43 0.14 0.10 118.68 125.05 3m3y s LEU 854 Ca -0.00 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 3m3y s LEU 854 Cb -0.06 -3.90 0.01 0.00 0.03 0.00 0.00 46.19 42.27 3m3y s LEU 854 CO 0.00 -0.06 -0.15 0.12 0.23 0.00 0.00 176.35 176.50 3m3y s PHE 855 N -1.48 1.59 -0.06 0.29 5.36 0.48 -2.14 117.98 122.02 3m3y s PHE 855 Ca 0.48 -0.54 0.02 0.00 -0.96 0.00 0.00 56.93 55.94 3m3y s PHE 855 Cb -0.22 -1.12 0.01 0.00 -0.34 0.00 0.00 43.02 41.36 3m3y s PHE 855 CO 0.27 -0.23 -0.12 -0.06 -1.46 0.00 0.00 175.22 173.62 3m3y s PHE 856 N 0.37 1.41 -0.03 10.12 0.40 -0.08 -0.81 117.98 129.36 3m3y s PHE 856 Ca -0.10 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 3m3y s PHE 856 Cb -0.14 -1.04 0.00 0.00 0.51 0.00 0.00 43.02 42.35 3m3y s PHE 856 CO 0.03 -0.26 -0.12 0.50 0.70 0.00 0.00 175.22 176.07 3m3y s ARG 857 N 0.65 1.26 -0.24 0.44 3.52 -0.63 -1.31 118.95 122.63 3m3y s ARG 857 Ca -0.14 -0.42 -0.06 0.00 -0.13 0.00 0.00 55.73 54.98 3m3y s ARG 857 Cb -0.15 -1.14 -0.02 0.00 -1.56 0.00 0.00 34.95 32.08 3m3y s ARG 857 CO 0.03 0.16 0.04 -1.12 -0.81 0.00 0.00 175.30 173.61 3m3y s SER 858 N 0.13 4.95 -0.18 -2.12 0.01 -1.23 -0.87 113.70 114.39 3m3y s SER 858 Ca -0.03 -0.24 -0.09 0.00 1.31 0.00 0.00 55.95 56.90 3m3y s SER 858 Cb -0.10 -1.88 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 3m3y s SER 858 CO 0.01 -0.02 0.13 -0.31 0.41 0.00 0.00 173.24 173.46 3m3y s TYR 859 N 1.54 3.46 0.27 2.43 1.51 0.23 -4.57 117.35 122.21 3m3y s TYR 859 Ca 0.06 0.38 0.12 0.00 -1.01 0.00 0.00 57.07 56.62 3m3y s TYR 859 Cb -0.15 -2.10 -0.05 0.00 -0.11 0.00 0.00 41.96 39.55 3m3y s TYR 859 CO 0.02 0.41 -0.20 1.41 -1.11 0.00 0.00 175.55 176.07 3m3y s MET 860 N 0.00 1.67 0.19 -0.62 1.75 -1.26 0.51 119.30 121.54 3m3y s MET 860 Ca 0.10 -1.72 -0.23 0.00 -1.25 0.00 0.00 55.69 52.59 3m3y s MET 860 Cb -0.11 -1.79 0.07 0.00 2.84 0.00 0.00 34.83 35.83 3m3y s MET 860 CO -0.00 0.34 0.97 0.34 -0.65 0.00 0.00 175.02 176.01 3m3y s ASP 861 N -3.37 -0.09 -0.27 1.11 -1.08 -0.84 -5.00 116.67 107.13 3m3y s ASP 861 Ca 0.29 -0.59 -0.26 0.00 -0.52 0.00 0.00 52.55 51.47 3m3y s ASP 861 Cb -0.06 0.54 0.13 0.00 -1.46 0.00 0.00 42.92 42.07 3m3y s ASP 861 CO 0.14 -1.03 1.07 -1.58 0.52 0.00 0.00 175.17 174.29 3m3y s GLN 862 N -2.79 0.47 -0.21 4.34 0.74 -1.26 -1.08 119.66 119.87 3m3y s GLN 862 Ca 0.16 0.48 -0.24 0.00 0.05 0.00 0.00 55.36 55.81 3m3y s GLN 862 Cb -0.02 0.23 -0.01 0.00 1.10 0.00 0.00 33.01 34.30 3m3y s GLN 862 CO 0.04 -0.07 0.78 -1.21 -0.55 0.00 0.00 175.29 174.28 3m3y s GLU 863 N 0.01 4.22 0.28 1.67 2.02 -1.09 -5.01 118.70 120.80 3m3y s GLU 863 Ca 0.03 0.88 0.00 0.00 0.02 0.00 0.00 54.97 55.90 3m3y s GLU 863 Cb -0.04 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.58 3m3y s GLU 863 CO -0.06 -0.40 0.00 0.36 0.02 0.00 0.00 175.26 175.18 3m3y n LYS 864 N 5.57 -2.01 -3.79 1.61 -0.00 -1.26 -4.82 118.16 113.45 3m3y n LYS 864 Ca 0.04 1.43 -0.06 0.00 -0.00 0.00 0.00 58.31 59.72 3m3y n LYS 864 Cb 0.48 -2.52 -0.02 0.00 -0.00 0.00 0.00 35.03 32.98 3m3y n LYS 864 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3m3y s LYS 865 N -2.62 1.50 0.00 -1.58 2.20 -1.26 -4.98 119.74 113.00 3m3y s LYS 865 Ca 0.00 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 3m3y s LYS 865 Cb 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 37.83 36.84 3m3y s LYS 865 CO 0.00 -0.68 0.00 0.66 -0.36 0.00 0.00 175.35 174.97 3m3y n TYR 866 N -0.46 0.00 0.00 4.03 4.02 -1.26 -4.96 117.16 118.53 3m3y n TYR 866 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3m3y n TYR 866 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 3m3y n TYR 866 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3m3y n GLY 867 N 0.00 2.54 0.19 2.72 0.00 -1.26 -4.91 105.19 104.47 3m3y n GLY 867 Ca 0.00 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.78 3m3y n GLY 867 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3m3y h MET 868 N 0.00 0.00 -2.10 1.61 2.86 -2.09 -3.36 114.93 111.85 3m3y h MET 868 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 3m3y h MET 868 Cb 0.00 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.25 3m3y h MET 868 CO 0.00 0.00 -0.99 -1.13 1.06 0.00 0.00 176.91 175.85 3m3y n SER 869 N -2.62 2.06 -3.65 1.22 3.41 -1.26 -5.01 113.62 107.77 3m3y n SER 869 Ca 0.02 -3.21 -0.05 0.00 -0.26 0.00 0.00 58.87 55.37 3m3y n SER 869 Cb 0.32 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 3m3y n SER 869 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3m3y s ILE 870 N -2.95 -0.40 -0.31 -1.33 1.09 -1.26 -5.13 121.20 110.91 3m3y s ILE 870 Ca 0.42 0.02 0.04 0.00 -1.10 0.00 0.00 60.65 60.04 3m3y s ILE 870 Cb 0.30 -0.94 0.19 0.00 -1.06 0.00 0.00 42.46 40.95 3m3y s ILE 870 CO -0.10 0.01 0.65 -0.89 -0.10 0.00 0.00 174.94 174.51 3m3y s THR 871 N 2.13 -0.91 0.11 2.92 2.01 -1.26 -4.80 115.64 115.83 3m3y s THR 871 Ca -0.08 0.00 -0.36 0.00 0.31 0.00 0.00 61.69 61.56 3m3y s THR 871 Cb -0.08 -0.74 -0.17 0.00 0.01 0.00 0.00 72.50 71.52 3m3y s THR 871 CO -0.19 0.00 1.26 -0.62 -0.69 0.00 0.00 174.62 174.38 3m3y n GLU 872 N 5.18 1.05 -4.06 4.92 1.02 -1.26 -4.66 120.64 122.83 3m3y n GLU 872 Ca 0.06 0.38 -0.30 0.00 -0.02 0.00 0.00 57.16 57.28 3m3y n GLU 872 Cb 0.55 -1.96 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 3m3y n GLU 872 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3m3y s THR 873 N 0.23 4.46 -0.30 2.62 2.01 -0.52 -4.39 115.64 119.76 3m3y s THR 873 Ca 0.81 -0.85 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 3m3y s THR 873 Cb -0.95 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 3m3y s THR 873 CO 0.49 0.08 0.52 -0.36 -0.69 0.00 0.00 174.62 174.67 3m3y s PHE 874 N -1.44 3.23 0.27 4.92 2.99 -1.26 -1.88 117.98 124.80 3m3y s PHE 874 Ca 0.29 0.47 -0.19 0.00 0.00 0.00 0.00 56.93 57.51 3m3y s PHE 874 Cb -0.12 -2.82 0.01 0.00 0.00 0.00 0.00 43.02 40.10 3m3y s PHE 874 CO 0.22 -0.39 0.65 -1.83 -0.00 0.00 0.00 175.22 173.87 3m3y s GLU 875 N 2.37 1.71 -0.43 0.44 -1.05 -0.97 -4.54 118.70 116.22 3m3y s GLU 875 Ca 0.21 -1.06 -0.21 0.00 -0.15 0.00 0.00 54.97 53.76 3m3y s GLU 875 Cb -0.15 0.57 0.02 0.00 -0.44 0.00 0.00 34.13 34.13 3m3y s GLU 875 CO 0.11 -0.76 0.69 0.21 0.95 0.00 0.00 175.26 176.46 3m3y s LYS 876 N -3.95 3.36 0.48 -4.83 2.20 -1.23 -4.02 119.74 111.75 3m3y s LYS 876 Ca 0.14 -0.24 -0.20 0.00 -0.36 0.00 0.00 55.97 55.31 3m3y s LYS 876 Cb -0.04 -3.93 -0.09 0.00 -1.51 0.00 0.00 37.83 32.26 3m3y s LYS 876 CO 0.07 -1.02 1.00 -1.25 -0.36 0.00 0.00 175.35 173.79 3m3y s PRO 877 N 2.96 3.94 -0.14 4.03 0.04 -1.26 -5.03 135.00 139.54 3m3y s PRO 877 Ca 0.25 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.51 3m3y s PRO 877 Cb -0.13 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.29 3m3y s PRO 877 CO 0.20 -0.29 -0.20 1.14 0.04 0.00 0.00 177.00 177.89 3m3y s GLN 878 N -3.40 2.81 0.00 4.56 -2.07 -1.26 -5.00 119.66 115.30 3m3y s GLN 878 Ca 0.64 -0.77 0.00 0.00 -1.82 0.00 0.00 55.36 53.40 3m3y s GLN 878 Cb -0.13 -2.33 0.00 0.00 -1.09 0.00 0.00 33.01 29.46 3m3y s GLN 878 CO 0.20 -0.07 0.00 -2.13 -1.32 0.00 0.00 175.29 171.97 3m3y n ARG 879 N 4.24 0.00 0.00 9.60 0.63 -1.26 -4.00 116.66 125.88 3m3y n ARG 879 Ca -0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.73 3m3y n ARG 879 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 3m3y n ARG 879 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 3m3y n THR 880 N -0.22 0.00 -0.12 5.15 5.66 -1.26 0.11 114.28 123.60 3m3y n THR 880 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3m3y n THR 880 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3m3y n THR 880 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3m3y n ASN 881 N 0.00 0.00 -0.02 1.09 5.15 -1.26 -4.94 115.26 115.27 3m3y n ASN 881 Ca 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.96 3m3y n ASN 881 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 3m3y n ASN 881 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3m3y n THR 882 N 0.33 0.34 -3.42 -0.44 -1.04 0.29 -4.56 114.28 105.78 3m3y n THR 882 Ca 0.00 -0.24 -0.26 0.00 -2.04 0.00 0.00 64.05 61.51 3m3y n THR 882 Cb 0.00 -0.61 -0.09 0.00 -1.82 0.00 0.00 70.33 67.82 3m3y n THR 882 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3m3y n LEU 883 N -2.13 1.60 -3.14 -4.42 -0.00 -1.25 -3.08 117.00 104.58 3m3y n LEU 883 Ca -0.08 -4.94 -0.21 0.00 -0.00 0.00 0.00 56.01 50.78 3m3y n LEU 883 Cb 0.60 -0.01 -0.04 0.00 -0.00 0.00 0.00 43.42 43.97 3m3y n LEU 883 CO 0.13 1.97 -0.13 0.54 -0.00 0.00 0.00 177.39 179.90 3m3y n ARG 884 N 1.62 1.56 -1.61 1.47 1.74 -1.26 -5.00 116.66 115.17 3m3y n ARG 884 Ca 0.25 -3.77 -0.29 0.00 -0.77 0.00 0.00 57.85 53.27 3m3y n ARG 884 Cb 0.45 -1.82 0.13 0.00 -1.02 0.00 0.00 32.46 30.21 3m3y n ARG 884 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3m3y s MET 885 N -2.59 1.20 0.83 5.56 -1.94 -1.26 -4.24 119.30 116.86 3m3y s MET 885 Ca 0.42 0.21 -0.14 0.00 -1.71 0.00 0.00 55.69 54.47 3m3y s MET 885 Cb 0.31 -1.85 0.19 0.00 2.01 0.00 0.00 34.83 35.49 3m3y s MET 885 CO -0.09 -2.14 1.07 1.63 -0.01 0.00 0.00 175.02 175.48 3m3y n LYS 886 N -3.71 -1.27 0.11 2.03 4.01 -1.26 -5.01 118.16 113.06 3m3y n LYS 886 Ca 0.07 -1.66 -0.23 0.00 -0.51 0.00 0.00 58.31 55.99 3m3y n LYS 886 Cb 0.60 -1.15 -0.15 0.00 -0.51 0.00 0.00 35.03 33.82 3m3y n LYS 886 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3m3y h HIS 887 N -1.74 0.85 -3.37 2.13 3.86 -1.98 -3.48 115.15 111.43 3m3y h HIS 887 Ca -0.35 -0.60 -0.43 0.00 -1.16 0.00 0.00 60.37 57.82 3m3y h HIS 887 Cb 0.98 -0.04 0.20 0.00 1.06 0.00 0.00 27.41 29.61 3m3y h HIS 887 CO 0.00 1.47 0.04 0.20 0.86 0.00 0.00 177.93 180.50 3m3y s GLY 888 N -4.51 1.53 0.01 2.45 0.00 -1.25 -4.99 107.32 100.56 3m3y s GLY 888 Ca -0.11 -0.33 -0.09 0.00 0.00 0.00 0.00 44.72 44.19 3m3y s GLY 888 CO 0.91 0.41 0.32 -0.51 0.00 0.00 0.00 173.10 174.23 3m3y s THR 889 N -2.60 5.21 -2.30 0.90 -4.23 -1.26 -4.80 115.64 106.55 3m3y s THR 889 Ca 0.68 0.41 0.29 0.00 -1.18 0.00 0.00 61.69 61.89 3m3y s THR 889 Cb -0.22 -3.60 0.64 0.00 1.34 0.00 0.00 72.50 70.67 3m3y s THR 889 CO 0.62 0.44 1.88 -1.22 -0.54 0.00 0.00 174.62 175.80 3m3y n TYR 890 N 1.36 0.00 0.10 3.99 4.02 -1.26 -2.86 117.16 122.51 3m3y n TYR 890 Ca -0.12 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.81 3m3y n TYR 890 Cb 0.53 -0.01 0.24 0.00 -0.02 0.00 0.00 39.34 40.08 3m3y n TYR 890 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3m3y n ASP 891 N -0.23 0.23 -0.04 7.72 8.00 -1.26 -1.55 116.55 129.42 3m3y n ASP 891 Ca 0.20 0.49 0.10 0.00 0.71 0.00 0.00 54.79 56.30 3m3y n ASP 891 Cb 0.28 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 3m3y n ASP 891 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m3y n LYS 892 N -1.79 0.10 -3.18 -1.24 5.02 -1.26 -4.91 118.16 110.90 3m3y n LYS 892 Ca -0.01 -0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 55.83 3m3y n LYS 892 Cb 0.23 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 3m3y n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3m3y s LEU 893 N -2.95 4.42 0.00 -0.35 1.43 -0.60 -4.49 118.68 116.14 3m3y s LEU 893 Ca 0.10 1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 54.50 3m3y s LEU 893 Cb 0.16 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 43.12 3m3y s LEU 893 CO 0.81 0.13 0.30 0.47 0.23 0.00 0.00 176.35 178.30 3m3y n ASP 894 N 1.10 0.07 0.26 2.29 8.00 -0.48 -4.91 116.55 122.87 3m3y n ASP 894 Ca -0.05 -1.14 0.11 0.00 0.71 0.00 0.00 54.79 54.42 3m3y n ASP 894 Cb 0.51 -0.23 0.73 0.00 -0.02 0.00 0.00 41.12 42.11 3m3y n ASP 894 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3m3y h ASP 895 N -0.37 0.00 0.00 -2.24 3.45 -1.98 -0.99 116.42 114.29 3m3y h ASP 895 Ca -0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.36 3m3y h ASP 895 Cb 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 3m3y h ASP 895 CO 0.07 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 176.84 3m3y n ASP 896 N -4.30 0.00 0.00 6.45 5.75 -1.26 -3.55 116.55 119.63 3m3y n ASP 896 Ca -0.02 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3m3y n ASP 896 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3m3y n ASP 896 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m3y n GLY 897 N 0.71 0.47 3.45 6.12 0.00 -0.37 -4.14 105.19 111.43 3m3y n GLY 897 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3m3y n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m3y s LEU 898 N 0.00 2.55 0.88 0.99 1.43 -1.25 -1.04 118.68 122.24 3m3y s LEU 898 Ca 0.00 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 3m3y s LEU 898 Cb 0.00 -1.42 0.12 0.00 0.03 0.00 0.00 46.19 44.92 3m3y s LEU 898 CO 0.00 0.18 1.09 -0.63 0.23 0.00 0.00 176.35 177.22 3m3y s ILE 899 N -1.10 2.74 -0.01 -0.59 1.01 -1.22 -1.38 121.20 120.65 3m3y s ILE 899 Ca 0.16 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 3m3y s ILE 899 Cb -0.10 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3m3y s ILE 899 CO 0.08 -0.31 0.08 0.00 0.00 0.00 0.00 174.94 174.79 3m3y s ALA 900 N -2.90 3.58 0.52 9.38 0.00 -1.26 -4.86 121.76 126.21 3m3y s ALA 900 Ca 0.63 -0.86 0.40 0.00 0.00 0.00 0.00 51.96 52.13 3m3y s ALA 900 Cb -0.18 -1.59 1.59 0.00 0.00 0.00 0.00 23.12 22.94 3m3y s ALA 900 CO 0.57 0.68 1.66 -1.35 0.00 0.00 0.00 175.76 177.33 3m3y h PRO 901 N 4.17 0.04 -0.79 0.00 0.11 -1.89 -2.29 132.00 131.35 3m3y h PRO 901 Ca -0.49 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3m3y h PRO 901 Cb 1.18 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 3m3y h PRO 901 CO 0.62 0.02 0.44 0.78 -0.21 0.00 0.00 178.00 179.65 3m3y h GLY 902 N 0.04 1.22 -2.59 -0.55 0.00 -1.94 -3.34 103.07 95.91 3m3y h GLY 902 Ca 0.79 -0.29 -0.49 0.00 0.00 0.00 0.00 47.33 47.34 3m3y h GLY 902 CO -0.12 0.11 0.44 0.14 0.00 0.00 0.00 176.54 177.11 3m3y s VAL 903 N -6.04 3.47 0.20 4.60 1.01 -0.86 -4.59 120.40 118.18 3m3y s VAL 903 Ca -0.12 1.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.65 3m3y s VAL 903 Cb 0.19 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3m3y s VAL 903 CO 0.78 -0.05 0.84 -0.13 0.00 0.00 0.00 175.10 176.53 3m3y s ARG 904 N -2.74 4.66 0.01 2.72 0.52 -1.26 -0.88 118.95 121.98 3m3y s ARG 904 Ca 0.62 1.27 0.01 0.00 -0.52 0.00 0.00 55.73 57.11 3m3y s ARG 904 Cb -0.24 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 3m3y s ARG 904 CO 0.29 0.53 -0.03 0.14 0.02 0.00 0.00 175.30 176.25 3m3y s VAL 905 N -1.20 0.18 0.00 3.52 -7.23 -0.45 -4.91 120.40 110.32 3m3y s VAL 905 Ca 0.39 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 3m3y s VAL 905 Cb -0.24 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.47 3m3y s VAL 905 CO 0.28 -0.21 0.00 -1.54 -0.31 0.00 0.00 175.10 173.32 3m3y n SER 906 N 2.32 0.66 0.00 4.85 3.41 -1.26 -0.96 113.62 122.63 3m3y n SER 906 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3m3y n SER 906 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3m3y n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m3y n GLY 907 N 0.00 1.25 2.57 5.00 0.00 -1.26 -2.76 105.19 110.00 3m3y n GLY 907 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3m3y n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m3y n GLU 908 N 10.20 3.23 -2.23 1.61 1.02 -1.26 -4.38 120.64 128.82 3m3y n GLU 908 Ca 0.00 -4.17 -0.36 0.00 -0.02 0.00 0.00 57.16 52.61 3m3y n GLU 908 Cb 0.00 -2.26 -0.00 0.00 -0.02 0.00 0.00 31.44 29.16 3m3y n GLU 908 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3m3y s ASP 909 N -2.79 5.92 -0.42 1.62 1.11 -1.11 -3.87 116.67 117.13 3m3y s ASP 909 Ca 0.50 2.28 -0.26 0.00 0.18 0.00 0.00 52.55 55.25 3m3y s ASP 909 Cb 0.42 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.83 3m3y s ASP 909 CO -0.24 -1.09 0.94 -0.69 1.18 0.00 0.00 175.17 175.28 3m3y s VAL 910 N -1.62 4.51 0.05 -1.27 1.01 -1.13 -0.97 120.40 120.97 3m3y s VAL 910 Ca 0.68 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 63.51 3m3y s VAL 910 Cb -0.27 -4.40 -0.29 0.00 0.00 0.00 0.00 36.38 31.41 3m3y s VAL 910 CO 0.32 -0.71 1.10 0.40 0.00 0.00 0.00 175.10 176.22 3m3y h ILE 911 N 5.97 1.29 -3.41 2.22 2.04 -1.83 -3.42 117.51 120.36 3m3y h ILE 911 Ca -0.24 -2.48 -0.41 0.00 1.00 0.00 0.00 64.86 62.73 3m3y h ILE 911 Cb 1.08 2.71 -0.35 0.00 -0.74 0.00 0.00 36.82 39.52 3m3y h ILE 911 CO 1.01 0.76 -0.77 -0.63 0.00 0.00 0.00 178.15 178.52 3m3y s ILE 912 N -2.96 0.43 -0.18 -0.67 1.01 -1.21 -3.38 121.20 114.25 3m3y s ILE 912 Ca -0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 3m3y s ILE 912 Cb 0.06 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 3m3y s ILE 912 CO 0.93 0.22 0.00 -0.83 0.00 0.00 0.00 174.94 175.27 3m3y s GLY 913 N 1.22 1.77 -0.17 6.18 0.00 -0.21 -1.26 107.32 114.86 3m3y s GLY 913 Ca -0.06 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.70 3m3y s GLY 913 CO -0.02 0.05 0.42 1.25 0.00 0.00 0.00 173.10 174.80 3m3y s LYS 914 N 0.54 0.42 0.06 2.90 2.20 -1.26 -2.30 119.74 122.31 3m3y s LYS 914 Ca -0.01 0.75 0.08 0.00 -0.36 0.00 0.00 55.97 56.43 3m3y s LYS 914 Cb -0.14 0.04 -0.03 0.00 -1.51 0.00 0.00 37.83 36.18 3m3y s LYS 914 CO 0.02 -0.14 -0.20 0.95 -0.36 0.00 0.00 175.35 175.62 3m3y s THR 915 N 1.14 2.66 -0.19 3.43 -4.23 -0.79 0.12 115.64 117.78 3m3y s THR 915 Ca -0.07 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.06 3m3y s THR 915 Cb -0.07 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 3m3y s THR 915 CO -0.10 0.28 -0.01 0.28 -0.54 0.00 0.00 174.62 174.53 3m3y s THR 916 N -0.96 3.94 -0.60 3.99 -1.32 0.11 -1.43 115.64 119.37 3m3y s THR 916 Ca 0.15 -0.32 -0.20 0.00 -1.21 0.00 0.00 61.69 60.10 3m3y s THR 916 Cb -0.10 -2.77 0.08 0.00 -1.51 0.00 0.00 72.50 68.20 3m3y s THR 916 CO 0.06 0.44 0.79 -2.16 -2.21 0.00 0.00 174.62 171.54 3m3y s PRO 917 N 0.87 3.10 -0.21 7.08 0.04 -1.26 -0.07 135.00 144.55 3m3y s PRO 917 Ca 0.01 -1.02 -0.02 0.00 0.04 0.00 0.00 61.00 60.01 3m3y s PRO 917 Cb -0.14 -4.21 0.01 0.00 0.04 0.00 0.00 34.50 30.19 3m3y s PRO 917 CO 0.02 -1.57 -0.10 0.42 0.04 0.00 0.00 177.00 175.80 3m3y s ILE 918 N 3.20 2.79 -0.74 0.56 -1.09 -1.26 -4.83 121.20 119.83 3m3y s ILE 918 Ca 0.17 -0.77 -0.23 0.00 -2.23 0.00 0.00 60.65 57.58 3m3y s ILE 918 Cb -0.20 -2.28 0.06 0.00 -1.58 0.00 0.00 42.46 38.46 3m3y s ILE 918 CO 0.09 0.41 1.11 -0.55 -1.23 0.00 0.00 174.94 174.78 3m3y s SER 919 N 1.38 6.25 0.00 3.58 0.15 -1.26 -4.69 113.70 119.11 3m3y s SER 919 Ca 0.04 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.69 3m3y s SER 919 Cb -0.14 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 3m3y s SER 919 CO -0.07 -1.52 0.00 -1.54 1.20 0.00 0.00 173.24 171.31 3m3y n SER 933 N 8.15 0.00 -4.21 5.45 3.41 -1.26 -5.22 113.62 119.93 3m3y n SER 933 Ca 0.05 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.45 3m3y n SER 933 Cb 0.47 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 3m3y n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3m3y s LYS 934 N 0.00 1.67 -0.01 4.33 1.02 -1.25 -4.71 119.74 120.80 3m3y s LYS 934 Ca 0.00 -1.96 0.05 0.00 0.02 0.00 0.00 55.97 54.08 3m3y s LYS 934 Cb 0.00 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.82 3m3y s LYS 934 CO 0.00 -0.36 -0.17 1.03 -0.92 0.00 0.00 175.35 174.93 3m3y s ARG 935 N -3.85 1.39 0.64 1.68 0.52 0.90 -3.88 118.95 116.35 3m3y s ARG 935 Ca 0.33 -0.62 -0.14 0.00 -0.52 0.00 0.00 55.73 54.79 3m3y s ARG 935 Cb 0.06 -1.34 -0.02 0.00 0.52 0.00 0.00 34.95 34.17 3m3y s ARG 935 CO 0.15 0.37 1.06 0.34 0.02 0.00 0.00 175.30 177.24 3m3y s ASP 936 N -0.41 5.61 -0.07 0.23 -1.08 -1.25 0.08 116.67 119.77 3m3y s ASP 936 Ca 0.07 1.73 0.07 0.00 -0.52 0.00 0.00 52.55 53.89 3m3y s ASP 936 Cb -0.07 -2.52 0.15 0.00 -1.46 0.00 0.00 42.92 39.03 3m3y s ASP 936 CO -0.01 -1.28 1.12 0.00 0.52 0.00 0.00 175.17 175.52 3m3y n ALA 937 N -2.49 3.38 -2.05 3.66 0.00 0.12 -4.71 120.51 118.42 3m3y n ALA 937 Ca 0.08 -1.05 -0.30 0.00 0.00 0.00 0.00 53.44 52.17 3m3y n ALA 937 Cb 0.53 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 3m3y n ALA 937 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3m3y s SER 938 N -1.26 6.36 -0.31 0.00 0.01 -1.21 -4.43 113.70 112.86 3m3y s SER 938 Ca 0.07 1.24 0.04 0.00 1.31 0.00 0.00 55.95 58.61 3m3y s SER 938 Cb 0.14 -2.38 0.09 0.00 0.21 0.00 0.00 66.02 64.08 3m3y s SER 938 CO -0.05 -0.64 -0.01 -0.89 0.41 0.00 0.00 173.24 172.07 3m3y s THR 939 N -2.79 2.21 0.42 1.44 2.01 -0.39 -4.97 115.64 113.57 3m3y s THR 939 Ca 0.53 -2.07 -0.19 0.00 0.31 0.00 0.00 61.69 60.27 3m3y s THR 939 Cb -0.10 -2.52 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 3m3y s THR 939 CO 0.43 -0.40 0.90 -2.84 -0.69 0.00 0.00 174.62 172.03 3m3y s PRO 940 N 0.99 4.13 -0.01 4.92 0.02 -1.26 -2.62 135.00 141.17 3m3y s PRO 940 Ca 0.04 0.98 -0.32 0.00 0.02 0.00 0.00 61.00 61.72 3m3y s PRO 940 Cb -0.19 -2.23 -0.11 0.00 0.02 0.00 0.00 34.50 31.99 3m3y s PRO 940 CO -0.07 -0.03 1.90 -0.11 -0.33 0.00 0.00 177.00 178.36 3m3y n LEU 941 N -0.74 3.77 -1.71 -5.54 -0.00 -0.15 -4.82 117.00 107.81 3m3y n LEU 941 Ca 0.06 0.95 -0.24 0.00 -0.00 0.00 0.00 56.01 56.78 3m3y n LEU 941 Cb 0.54 -1.45 -0.04 0.00 -0.00 0.00 0.00 43.42 42.47 3m3y n LEU 941 CO 0.40 0.06 0.44 0.54 -0.00 0.00 0.00 177.39 178.82 3m3y n ARG 942 N 6.75 0.00 -0.29 1.96 5.12 -1.26 -4.35 116.66 124.60 3m3y n ARG 942 Ca 0.21 0.00 0.28 0.00 -1.93 0.00 0.00 57.85 56.41 3m3y n ARG 942 Cb 0.34 -0.55 0.52 0.00 -1.16 0.00 0.00 32.46 31.62 3m3y n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3m3y n SER 943 N 1.58 0.29 -0.06 0.55 3.41 -1.26 -1.44 113.62 116.69 3m3y n SER 943 Ca 0.12 1.41 -0.07 0.00 -0.26 0.00 0.00 58.87 60.07 3m3y n SER 943 Cb -0.02 -0.69 -0.15 0.00 -0.26 0.00 0.00 64.21 63.09 3m3y n SER 943 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3m3y n THR 944 N -4.90 1.34 -1.61 6.66 -2.24 -1.26 -4.70 114.28 107.58 3m3y n THR 944 Ca 0.33 -0.80 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 3m3y n THR 944 Cb 1.14 -0.63 0.05 0.00 -2.10 0.00 0.00 70.33 68.78 3m3y n THR 944 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3m3y s GLU 945 N -2.64 2.98 0.38 -0.78 2.02 -0.52 -5.01 118.70 115.13 3m3y s GLU 945 Ca -0.07 0.91 -0.08 0.00 0.02 0.00 0.00 54.97 55.75 3m3y s GLU 945 Cb 0.07 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.34 3m3y s GLU 945 CO 0.83 -1.06 0.64 0.54 0.02 0.00 0.00 175.26 176.23 3m3y s ASN 946 N -3.85 0.57 0.00 -0.19 4.22 -1.26 -4.21 114.94 110.22 3m3y s ASN 946 Ca 0.58 -1.38 0.00 0.00 -2.14 0.00 0.00 52.86 49.92 3m3y s ASN 946 Cb -0.14 0.77 0.00 0.00 1.28 0.00 0.00 41.25 43.16 3m3y s ASN 946 CO 0.55 -1.52 0.00 0.61 -2.04 0.00 0.00 177.10 174.70 3m3y n GLY 947 N -0.57 -0.45 2.90 0.45 0.00 -0.14 -4.71 105.19 102.68 3m3y n GLY 947 Ca -0.04 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 3m3y n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m3y s ILE 948 N -3.71 0.37 0.65 -0.61 1.01 -0.74 -1.34 121.20 116.84 3m3y s ILE 948 Ca 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 3m3y s ILE 948 Cb 0.00 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 42.09 3m3y s ILE 948 CO 0.00 0.15 1.23 -0.69 0.00 0.00 0.00 174.94 175.63 3m3y s VAL 949 N 0.45 2.38 0.00 2.92 1.01 -0.05 -0.69 120.40 126.42 3m3y s VAL 949 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3m3y s VAL 949 Cb -0.08 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3m3y s VAL 949 CO -0.00 -0.07 0.00 -0.67 0.00 0.00 0.00 175.10 174.36 3m3y n ASP 950 N -2.06 0.43 -3.64 3.32 2.03 -0.02 -4.46 116.55 112.15 3m3y n ASP 950 Ca 0.14 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.32 3m3y n ASP 950 Cb 0.49 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.82 3m3y n ASP 950 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3m3y s GLN 951 N -1.13 0.78 -0.12 -0.67 0.74 -1.23 -4.87 119.66 113.16 3m3y s GLN 951 Ca 0.00 1.01 -0.00 0.00 0.05 0.00 0.00 55.36 56.41 3m3y s GLN 951 Cb 0.00 0.34 0.02 0.00 1.10 0.00 0.00 33.01 34.48 3m3y s GLN 951 CO 0.00 -0.11 -0.09 0.08 -0.55 0.00 0.00 175.29 174.62 3m3y s VAL 952 N 0.61 1.14 -0.33 1.34 1.01 -1.26 -2.02 120.40 120.90 3m3y s VAL 952 Ca -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3m3y s VAL 952 Cb -0.05 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 35.24 3m3y s VAL 952 CO -0.03 0.38 0.07 -0.22 0.00 0.00 0.00 175.10 175.30 3m3y s LEU 953 N 1.66 4.22 -0.44 3.92 2.96 -0.01 -4.96 118.68 126.03 3m3y s LEU 953 Ca 0.05 -1.27 -0.13 0.00 -0.22 0.00 0.00 54.13 52.56 3m3y s LEU 953 Cb -0.13 -1.80 0.07 0.00 0.50 0.00 0.00 46.19 44.83 3m3y s LEU 953 CO -0.09 -0.32 0.33 -0.69 -1.32 0.00 0.00 176.35 174.26 3m3y s VAL 954 N 1.32 4.83 0.14 1.68 1.01 -1.26 -1.47 120.40 126.65 3m3y s VAL 954 Ca -0.02 -1.16 0.04 0.00 0.00 0.00 0.00 61.98 60.85 3m3y s VAL 954 Cb -0.20 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3m3y s VAL 954 CO 0.01 -0.52 -0.10 -0.89 0.00 0.00 0.00 175.10 173.59 3m3y s THR 955 N 1.56 1.16 0.50 3.92 2.01 -0.59 -5.00 115.64 119.19 3m3y s THR 955 Ca 0.04 -1.99 -0.18 0.00 0.31 0.00 0.00 61.69 59.86 3m3y s THR 955 Cb -0.23 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.42 3m3y s THR 955 CO 0.05 -0.70 0.99 0.28 -0.69 0.00 0.00 174.62 174.55 3m3y s THR 956 N -3.15 4.27 0.39 -0.82 -1.32 -1.26 0.59 115.64 114.33 3m3y s THR 956 Ca 0.15 1.23 0.07 0.00 -1.21 0.00 0.00 61.69 61.93 3m3y s THR 956 Cb 0.01 -3.59 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 3m3y s THR 956 CO 0.01 -0.48 0.53 0.21 -2.21 0.00 0.00 174.62 172.68 3m3y s ASN 957 N -2.59 5.79 0.46 8.08 2.47 0.23 -4.84 114.94 124.54 3m3y s ASN 957 Ca 0.62 -0.31 0.28 0.00 0.42 0.00 0.00 52.86 53.86 3m3y s ASN 957 Cb -0.12 -0.91 1.34 0.00 -1.45 0.00 0.00 41.25 40.11 3m3y s ASN 957 CO 0.25 -0.63 1.76 -0.61 -3.72 0.00 0.00 177.10 174.15 3m3y h GLN 958 N 0.74 0.19 0.00 0.43 4.15 -1.88 0.58 115.11 119.31 3m3y h GLN 958 Ca -0.42 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3m3y h GLN 958 Cb 1.27 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.92 3m3y h GLN 958 CO 0.48 0.12 0.00 -0.25 -1.93 0.00 0.00 178.83 177.26 3m3y n ASP 959 N -4.45 0.00 0.00 -0.69 8.00 -1.26 -3.02 116.55 115.13 3m3y n ASP 959 Ca 0.28 0.29 0.00 0.00 0.71 0.00 0.00 54.79 56.07 3m3y n ASP 959 Cb 1.13 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.80 3m3y n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m3y n GLY 960 N 1.25 0.74 3.62 0.44 0.00 0.20 -4.87 105.19 106.58 3m3y n GLY 960 Ca 0.09 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 3m3y n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m3y s LEU 961 N 0.00 4.06 0.12 0.99 1.43 -1.22 -4.80 118.68 119.26 3m3y s LEU 961 Ca 0.00 0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 53.39 3m3y s LEU 961 Cb 0.00 -2.75 -0.10 0.00 0.03 0.00 0.00 46.19 43.38 3m3y s LEU 961 CO 0.00 -0.32 1.69 -0.75 0.23 0.00 0.00 176.35 177.20 3m3y s LYS 962 N 2.37 4.18 0.11 1.70 2.20 -1.26 0.74 119.74 129.78 3m3y s LYS 962 Ca 0.23 2.44 -0.07 0.00 -0.36 0.00 0.00 55.97 58.21 3m3y s LYS 962 Cb -0.16 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3m3y s LYS 962 CO 0.09 -0.73 0.18 -0.59 -0.36 0.00 0.00 175.35 173.94 3m3y s PHE 963 N 2.12 0.33 -0.02 4.03 -0.00 0.20 -2.68 117.98 121.97 3m3y s PHE 963 Ca 0.75 -0.75 0.01 0.00 -0.00 0.00 0.00 56.93 56.93 3m3y s PHE 963 Cb -0.44 -0.13 0.01 0.00 -0.00 0.00 0.00 43.02 42.46 3m3y s PHE 963 CO 0.33 -0.58 -0.01 0.08 -0.00 0.00 0.00 175.22 175.04 3m3y s VAL 964 N -3.92 0.18 -0.15 -2.49 1.01 -0.24 -1.54 120.40 113.24 3m3y s VAL 964 Ca 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3m3y s VAL 964 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.22 3m3y s VAL 964 CO -0.06 0.10 -0.17 -0.54 0.00 0.00 0.00 175.10 174.42 3m3y s LYS 965 N 0.50 3.15 -0.15 2.72 1.02 -0.54 -1.98 119.74 124.46 3m3y s LYS 965 Ca -0.05 -0.78 -0.00 0.00 0.02 0.00 0.00 55.97 55.16 3m3y s LYS 965 Cb -0.08 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.65 3m3y s LYS 965 CO -0.01 -0.01 -0.13 0.08 -0.92 0.00 0.00 175.35 174.36 3m3y s VAL 966 N 0.85 2.88 -0.04 3.17 1.01 0.18 -0.83 120.40 127.62 3m3y s VAL 966 Ca -0.05 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3m3y s VAL 966 Cb -0.15 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3m3y s VAL 966 CO -0.01 0.51 -0.21 -0.60 0.00 0.00 0.00 175.10 174.78 3m3y s ARG 967 N 0.69 2.07 -0.10 2.72 3.52 -0.86 0.76 118.95 127.76 3m3y s ARG 967 Ca -0.07 -0.77 0.02 0.00 -0.13 0.00 0.00 55.73 54.78 3m3y s ARG 967 Cb -0.15 -1.83 0.02 0.00 -1.56 0.00 0.00 34.95 31.42 3m3y s ARG 967 CO 0.02 0.35 -0.14 0.08 -0.81 0.00 0.00 175.30 174.80 3m3y s VAL 968 N -0.18 1.38 -0.11 7.11 1.01 -0.05 -0.84 120.40 128.73 3m3y s VAL 968 Ca -0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3m3y s VAL 968 Cb -0.12 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3m3y s VAL 968 CO 0.02 0.42 -0.09 -0.60 0.00 0.00 0.00 175.10 174.85 3m3y s ARG 969 N 0.98 3.19 0.07 2.72 3.52 0.14 -1.61 118.95 127.95 3m3y s ARG 969 Ca -0.07 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 54.97 3m3y s ARG 969 Cb -0.15 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.54 3m3y s ARG 969 CO -0.01 0.40 -0.12 0.99 -0.81 0.00 0.00 175.30 175.75 3m3y s THR 970 N -0.10 0.94 -0.07 4.11 2.01 0.01 -1.80 115.64 120.75 3m3y s THR 970 Ca 0.00 -1.28 -0.13 0.00 0.31 0.00 0.00 61.69 60.58 3m3y s THR 970 Cb -0.13 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 3m3y s THR 970 CO 0.03 -0.30 0.33 -0.89 -0.69 0.00 0.00 174.62 173.10 3m3y s THR 971 N -1.43 5.20 -0.35 -0.82 2.01 -1.26 0.18 115.64 119.17 3m3y s THR 971 Ca -0.03 0.66 0.02 0.00 0.31 0.00 0.00 61.69 62.64 3m3y s THR 971 Cb -0.09 -3.64 0.09 0.00 0.01 0.00 0.00 72.50 68.87 3m3y s THR 971 CO 0.02 0.53 0.07 -0.54 -0.69 0.00 0.00 174.62 174.00 3m3y s LYS 972 N -0.59 1.78 0.01 4.92 1.02 0.28 -4.91 119.74 122.25 3m3y s LYS 972 Ca 0.21 -1.76 -0.25 0.00 0.02 0.00 0.00 55.97 54.18 3m3y s LYS 972 Cb -0.15 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 3m3y s LYS 972 CO 0.09 -0.91 0.78 0.42 -0.92 0.00 0.00 175.35 174.81 3m3y s ILE 973 N 1.02 4.83 -0.00 2.17 1.01 -1.26 -2.49 121.20 126.47 3m3y s ILE 973 Ca 0.07 1.65 -0.30 0.00 0.00 0.00 0.00 60.65 62.07 3m3y s ILE 973 Cb -0.20 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 3m3y s ILE 973 CO -0.06 0.30 1.55 -2.16 0.00 0.00 0.00 174.94 174.57 3m3y s PRO 974 N 0.32 4.22 0.00 2.79 0.04 -1.26 -4.96 135.00 136.16 3m3y s PRO 974 Ca 0.40 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3m3y s PRO 974 Cb -0.20 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.63 3m3y s PRO 974 CO 0.22 -0.71 0.00 0.94 0.04 0.00 0.00 177.00 177.49 3m3y n GLN 975 N 6.04 3.84 -0.02 4.56 7.27 -1.26 -5.07 117.38 132.74 3m3y n GLN 975 Ca 0.15 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.30 3m3y n GLN 975 Cb 0.42 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.91 3m3y n GLN 975 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3m3y n ILE 976 N 0.00 0.16 -1.41 1.69 5.41 -1.26 -4.00 119.36 119.94 3m3y n ILE 976 Ca 0.00 -0.53 -0.11 0.00 1.00 0.00 0.00 62.75 63.12 3m3y n ILE 976 Cb 0.00 -0.04 0.19 0.00 -0.71 0.00 0.00 39.64 39.08 3m3y n ILE 976 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3m3y n GLY 977 N 1.36 4.86 3.72 7.39 0.00 -1.26 -3.53 105.19 117.74 3m3y n GLY 977 Ca -0.07 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 3m3y n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m3y s ASP 978 N -2.23 6.47 0.39 1.61 1.01 -1.26 -4.06 116.67 118.60 3m3y s ASP 978 Ca 0.48 0.56 -0.23 0.00 0.71 0.00 0.00 52.55 54.07 3m3y s ASP 978 Cb 0.43 -2.20 -0.11 0.00 1.01 0.00 0.00 42.92 42.05 3m3y s ASP 978 CO 0.02 0.08 0.95 -0.75 0.21 0.00 0.00 175.17 175.68 3m3y s LYS 979 N 0.52 4.36 0.31 8.23 2.20 -0.95 -2.96 119.74 131.45 3m3y s LYS 979 Ca 0.18 1.20 0.05 0.00 -0.36 0.00 0.00 55.97 57.04 3m3y s LYS 979 Cb -0.13 -2.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 3m3y s LYS 979 CO 0.05 0.08 0.23 -0.06 -0.36 0.00 0.00 175.35 175.29 3m3y s PHE 980 N -1.97 1.65 -0.27 4.03 0.40 0.26 -3.30 117.98 118.78 3m3y s PHE 980 Ca 0.58 -1.55 -0.25 0.00 -0.60 0.00 0.00 56.93 55.10 3m3y s PHE 980 Cb -0.13 -0.75 0.12 0.00 0.51 0.00 0.00 43.02 42.78 3m3y s PHE 980 CO 0.17 -0.74 1.03 0.00 0.70 0.00 0.00 175.22 176.38 3m3y s ALA 981 N -3.56 -1.97 1.00 5.36 0.00 -0.56 -1.89 121.76 120.14 3m3y s ALA 981 Ca 0.38 1.85 0.00 0.00 0.00 0.00 0.00 51.96 54.19 3m3y s ALA 981 Cb 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3m3y s ALA 981 CO 0.23 -0.24 0.00 -1.13 0.00 0.00 0.00 175.76 174.62 3m3y n SER 982 N 2.07 -0.02 -1.62 0.00 3.41 -1.14 -0.78 113.62 115.54 3m3y n SER 982 Ca -0.12 -0.85 0.06 0.00 -0.26 0.00 0.00 58.87 57.70 3m3y n SER 982 Cb 0.56 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.85 3m3y n SER 982 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3m3y n ARG 983 N -0.87 4.07 -1.27 4.33 0.63 -1.26 -4.33 116.66 117.96 3m3y n ARG 983 Ca 0.00 -2.62 0.03 0.00 -0.92 0.00 0.00 57.85 54.35 3m3y n ARG 983 Cb 0.00 -2.07 0.09 0.00 0.45 0.00 0.00 32.46 30.93 3m3y n ARG 983 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3m3y n HIS 984 N 0.64 0.19 -1.17 -0.14 8.25 -1.26 -4.75 115.22 116.97 3m3y n HIS 984 Ca 0.23 -1.04 -0.06 0.00 -0.26 0.00 0.00 57.72 56.60 3m3y n HIS 984 Cb 0.99 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.87 3m3y n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m3y n GLY 985 N -0.21 0.84 3.40 -1.41 0.00 -1.26 -4.81 105.19 101.74 3m3y n GLY 985 Ca 0.12 -0.67 -0.45 0.00 0.00 0.00 0.00 46.02 45.03 3m3y n GLY 985 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m3y s GLN 986 N -2.36 4.09 0.82 1.61 -1.52 -1.26 -4.92 119.66 116.11 3m3y s GLN 986 Ca 0.00 -2.81 -0.12 0.00 -1.95 0.00 0.00 55.36 50.48 3m3y s GLN 986 Cb 0.00 -4.79 0.09 0.00 -0.22 0.00 0.00 33.01 28.08 3m3y s GLN 986 CO 0.00 -1.51 1.17 -1.59 -0.25 0.00 0.00 175.29 173.12 3m3y s LYS 987 N 0.30 1.89 0.00 2.91 -2.85 -1.26 -2.87 119.74 117.85 3m3y s LYS 987 Ca 0.35 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.46 3m3y s LYS 987 Cb -0.07 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 3m3y s LYS 987 CO -0.05 -1.65 0.00 0.41 0.10 0.00 0.00 175.35 174.16 3m3y n GLY 988 N -3.19 2.52 3.69 0.59 0.00 -0.79 -4.89 105.19 103.12 3m3y n GLY 988 Ca 0.08 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 3m3y n GLY 988 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m3y s THR 989 N -2.00 2.19 0.57 2.61 -4.23 -1.17 0.91 115.64 114.53 3m3y s THR 989 Ca 0.00 -1.82 -0.16 0.00 -1.18 0.00 0.00 61.69 58.53 3m3y s THR 989 Cb 0.00 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 3m3y s THR 989 CO 0.00 -0.00 1.05 -0.63 -0.54 0.00 0.00 174.62 174.49 3m3y s ILE 990 N -2.64 3.90 0.00 2.99 1.01 -1.16 -0.33 121.20 124.97 3m3y s ILE 990 Ca 0.39 0.93 0.00 0.00 0.00 0.00 0.00 60.65 61.97 3m3y s ILE 990 Cb 0.06 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3m3y s ILE 990 CO 0.21 -0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.26 3m3y n GLY 991 N -0.98 0.00 3.51 6.18 0.00 0.24 -4.45 105.19 109.69 3m3y n GLY 991 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 3m3y n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3m3y s ILE 992 N -1.56 0.00 -0.09 -0.61 1.10 -1.25 -5.05 121.20 113.75 3m3y s ILE 992 Ca 0.00 -0.09 0.03 0.00 -0.51 0.00 0.00 60.65 60.07 3m3y s ILE 992 Cb 0.00 -1.12 0.01 0.00 0.15 0.00 0.00 42.46 41.50 3m3y s ILE 992 CO 0.00 0.00 -0.18 0.42 -2.11 0.00 0.00 174.94 173.07 3m3y s THR 993 N -3.36 1.59 0.08 4.00 -4.23 -1.26 -1.64 115.64 110.82 3m3y s THR 993 Ca 0.05 -0.73 0.06 0.00 -1.18 0.00 0.00 61.69 59.88 3m3y s THR 993 Cb -0.01 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 3m3y s THR 993 CO -0.09 0.46 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.05 3m3y s TYR 994 N 0.61 2.78 0.64 3.99 4.12 -0.99 -4.71 117.35 123.79 3m3y s TYR 994 Ca -0.14 -0.13 -0.08 0.00 0.02 0.00 0.00 57.07 56.73 3m3y s TYR 994 Cb -0.16 -1.48 0.01 0.00 -1.52 0.00 0.00 41.96 38.81 3m3y s TYR 994 CO 0.04 0.41 0.99 1.03 0.02 0.00 0.00 175.55 178.04 3m3y s ARG 995 N -1.99 2.90 0.30 -0.62 0.52 -1.26 -0.61 118.95 118.19 3m3y s ARG 995 Ca 0.20 0.21 0.01 0.00 -0.52 0.00 0.00 55.73 55.63 3m3y s ARG 995 Cb -0.11 -2.16 0.73 0.00 0.52 0.00 0.00 34.95 33.93 3m3y s ARG 995 CO 0.12 -0.85 1.58 -0.09 0.02 0.00 0.00 175.30 176.09 3m3y h ARG 996 N -0.39 0.03 -0.35 3.54 2.43 -1.94 0.09 114.38 117.79 3m3y h ARG 996 Ca -0.45 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.78 3m3y h ARG 996 Cb 1.25 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3m3y h ARG 996 CO 0.62 0.02 0.01 0.93 -1.51 0.00 0.00 179.97 180.05 3m3y h GLU 997 N 0.03 0.11 0.00 0.20 3.07 -1.95 -2.77 114.58 113.28 3m3y h GLU 997 Ca 0.58 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 3m3y h GLU 997 Cb 1.19 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3m3y h GLU 997 CO -0.87 0.07 0.00 -0.44 -1.40 0.00 0.00 179.01 176.37 3m3y h ASP 998 N 0.12 0.00 -4.01 1.42 3.32 -1.26 -3.42 116.42 112.59 3m3y h ASP 998 Ca 0.17 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.73 3m3y h ASP 998 Cb 0.23 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.82 3m3y h ASP 998 CO -0.27 0.00 0.45 -0.32 -1.72 0.00 0.00 179.24 177.37 3m3y s MET 999 N -3.20 3.84 0.35 3.56 1.75 -0.94 -4.21 119.30 120.46 3m3y s MET 999 Ca 0.08 1.64 -0.27 0.00 -1.25 0.00 0.00 55.69 55.89 3m3y s MET 999 Cb 0.10 -2.37 -0.09 0.00 2.84 0.00 0.00 34.83 35.30 3m3y s MET 999 CO 0.59 -0.45 1.18 -1.25 -0.65 0.00 0.00 175.02 174.44 3m3y s PRO 1000N -2.75 4.29 -0.03 4.11 0.04 -1.26 -4.06 135.00 135.33 3m3y s PRO 1000Ca 0.63 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.62 3m3y s PRO 1000Cb -0.25 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.38 3m3y s PRO 1000CO 0.30 -0.14 -0.15 -0.59 0.04 0.00 0.00 177.00 176.46 3m3y s PHE 1001N -1.29 1.48 0.82 0.56 -0.12 -0.65 -4.17 117.98 114.61 3m3y s PHE 1001Ca 0.52 -0.36 -0.13 0.00 -0.05 0.00 0.00 56.93 56.91 3m3y s PHE 1001Cb -0.33 -0.99 0.06 0.00 -0.63 0.00 0.00 43.02 41.14 3m3y s PHE 1001CO 0.42 -0.10 1.00 -2.37 -0.05 0.00 0.00 175.22 174.12 3m3y n THR 1002N 2.97 1.57 0.27 -4.49 5.66 0.36 -0.62 114.28 120.01 3m3y n THR 1002Ca -0.17 -0.22 0.12 0.00 -3.05 0.00 0.00 64.05 60.74 3m3y n THR 1002Cb 0.54 -1.04 0.78 0.00 -1.55 0.00 0.00 70.33 69.06 3m3y n THR 1002CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3m3y h ALA 1003N -0.99 1.53 -0.15 1.79 0.00 -1.88 -2.56 119.26 117.00 3m3y h ALA 1003Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3m3y h ALA 1003Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3m3y h ALA 1003CO 0.43 0.07 0.00 0.39 0.00 0.00 0.00 179.25 180.14 3m3y n GLU 1004N -3.93 1.64 0.00 0.00 1.02 -1.26 -4.90 120.64 113.21 3m3y n GLU 1004Ca -0.03 -0.96 0.00 0.00 -0.02 0.00 0.00 57.16 56.15 3m3y n GLU 1004Cb 0.15 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3m3y n GLU 1004CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m3y n GLY 1005N 1.08 1.55 3.75 0.62 0.00 -0.96 -5.08 105.19 106.15 3m3y n GLY 1005Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3m3y n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m3y s ILE 1006N -2.27 2.25 0.00 -0.61 -1.09 -1.26 -4.77 121.20 113.45 3m3y s ILE 1006Ca 0.00 0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.57 3m3y s ILE 1006Cb 0.00 -3.09 -0.01 0.00 -1.58 0.00 0.00 42.46 37.78 3m3y s ILE 1006CO 0.00 -0.01 0.05 0.54 -1.23 0.00 0.00 174.94 174.30 3m3y s VAL 1007N -1.36 0.08 0.49 2.92 0.11 -1.26 -0.49 120.40 120.88 3m3y s VAL 1007Ca 0.72 -0.67 -0.11 0.00 -2.93 0.00 0.00 61.98 58.99 3m3y s VAL 1007Cb -0.38 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.11 3m3y s VAL 1007CO 0.44 -0.37 0.88 -2.16 -3.33 0.00 0.00 175.10 170.57 3m3y s PRO 1008N -1.17 3.76 0.28 1.54 0.04 -1.26 -4.92 135.00 133.27 3m3y s PRO 1008Ca -0.13 0.61 0.25 0.00 0.04 0.00 0.00 61.00 61.77 3m3y s PRO 1008Cb -0.07 -2.26 0.56 0.00 0.04 0.00 0.00 34.50 32.76 3m3y s PRO 1008CO 0.00 -0.22 1.63 -0.44 0.04 0.00 0.00 177.00 178.01 3m3y h ASP 1009N 0.72 0.00 -3.12 6.66 3.32 0.19 -3.41 116.42 120.78 3m3y h ASP 1009Ca -0.46 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3m3y h ASP 1009Cb 1.19 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.52 3m3y h ASP 1009CO 0.62 0.01 0.00 -0.22 -1.72 0.00 0.00 179.24 177.94 3m3y s LEU 1010N -5.11 -0.85 -0.23 1.55 2.96 -1.08 -1.25 118.68 114.67 3m3y s LEU 1010Ca 0.08 1.45 0.02 0.00 -0.22 0.00 0.00 54.13 55.47 3m3y s LEU 1010Cb 0.10 2.30 0.05 0.00 0.50 0.00 0.00 46.19 49.14 3m3y s LEU 1010CO 0.65 -0.24 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.68 3m3y s ILE 1011N 1.49 2.03 0.25 6.68 1.01 0.41 0.15 121.20 133.22 3m3y s ILE 1011Ca -0.09 -1.35 0.06 0.00 0.00 0.00 0.00 60.65 59.27 3m3y s ILE 1011Cb -0.05 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 3m3y s ILE 1011CO -0.17 0.14 0.30 0.27 0.00 0.00 0.00 174.94 175.48 3m3y s ILE 1012N 1.21 4.80 -0.20 2.92 -4.36 0.23 -2.05 121.20 123.74 3m3y s ILE 1012Ca -0.04 -1.16 -0.19 0.00 -0.26 0.00 0.00 60.65 59.00 3m3y s ILE 1012Cb -0.18 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 39.87 3m3y s ILE 1012CO -0.08 -0.32 0.53 0.21 0.24 0.00 0.00 174.94 175.53 3m3y s ASN 1013N -3.94 6.58 0.65 4.36 3.84 -1.26 -1.81 114.94 123.36 3m3y s ASN 1013Ca 0.35 0.70 0.21 0.00 0.21 0.00 0.00 52.86 54.32 3m3y s ASN 1013Cb -0.08 -2.30 1.05 0.00 -0.55 0.00 0.00 41.25 39.37 3m3y s ASN 1013CO 0.27 -0.19 1.58 1.55 -2.79 0.00 0.00 177.10 177.52 3m3y h PRO 1014N 7.47 0.00 0.00 0.43 0.13 -1.87 0.16 132.00 138.32 3m3y h PRO 1014Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3m3y h PRO 1014Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3m3y h PRO 1014CO 0.74 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.23 3m3y n HIS 1015N -2.94 0.00 1.23 1.56 8.25 -1.26 -2.40 115.22 119.66 3m3y n HIS 1015Ca 0.03 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.62 3m3y n HIS 1015Cb 0.73 0.00 0.29 0.00 1.12 0.00 0.00 29.99 32.13 3m3y n HIS 1015CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m3y n ALA 1016N -1.00 2.89 -0.12 -1.41 0.00 0.57 -4.57 120.51 116.86 3m3y n ALA 1016Ca 0.11 -0.52 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 3m3y n ALA 1016Cb 0.05 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.37 3m3y n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3m3y n ILE 1017N 0.14 1.53 0.09 0.00 2.08 -1.01 -4.42 119.36 117.77 3m3y n ILE 1017Ca 0.14 -0.52 -0.05 0.00 0.56 0.00 0.00 62.75 62.88 3m3y n ILE 1017Cb 0.42 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 3m3y n ILE 1017CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3m3y h PRO 1018N -0.24 0.01 0.00 0.38 0.13 -1.81 -3.22 132.00 127.25 3m3y h PRO 1018Ca -0.59 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3m3y h PRO 1018Cb 1.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.97 3m3y h PRO 1018CO -0.15 0.85 -0.61 0.66 -0.23 0.00 0.00 178.00 178.52 3m3y h SER 1019N 0.01 0.00 -0.56 1.44 4.64 -1.85 -3.32 113.55 113.91 3m3y h SER 1019Ca -0.01 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3m3y h SER 1019Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3m3y h SER 1019CO 0.11 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.67 3m3y n ARG 1020N -2.37 3.03 -0.25 4.77 1.74 -1.22 -5.01 116.66 117.36 3m3y n ARG 1020Ca 0.03 -2.54 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 3m3y n ARG 1020Cb 0.48 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3m3y n ARG 1020CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3m3y n MET 1021N 1.01 0.00 -3.43 5.56 2.81 -1.22 -4.77 117.12 117.08 3m3y n MET 1021Ca 0.20 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.83 3m3y n MET 1021Cb 0.64 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.07 3m3y n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 3m3y n THR 1022N 0.00 1.55 0.14 2.03 5.66 -1.26 -3.26 114.28 119.15 3m3y n THR 1022Ca 0.00 -4.88 0.03 0.00 -3.05 0.00 0.00 64.05 56.15 3m3y n THR 1022Cb 0.00 -2.07 0.06 0.00 -1.55 0.00 0.00 70.33 66.77 3m3y n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3m3y h VAL 1023N 3.12 0.88 -0.86 1.08 2.07 -1.89 -3.12 116.25 117.54 3m3y h VAL 1023Ca 0.17 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.58 3m3y h VAL 1023Cb 0.72 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.81 3m3y h VAL 1023CO 0.73 0.49 0.53 0.00 0.02 0.00 0.00 177.57 179.35 3m3y h ALA 1024N 1.50 1.18 0.22 1.67 0.00 -1.81 0.12 119.26 122.13 3m3y h ALA 1024Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3m3y h ALA 1024Cb 1.34 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3m3y h ALA 1024CO 0.07 0.28 -0.49 1.25 0.00 0.00 0.00 179.25 180.36 3m3y h HIS 1025N 0.97 -1.38 -0.86 0.00 6.17 -1.87 0.73 115.15 118.92 3m3y h HIS 1025Ca 0.37 0.03 0.15 0.00 0.71 0.00 0.00 60.37 61.64 3m3y h HIS 1025Cb 0.17 0.57 -0.07 0.00 2.52 0.00 0.00 27.41 30.60 3m3y h HIS 1025CO -0.03 -0.59 0.56 -0.07 0.71 0.00 0.00 177.93 178.51 3m3y h LEU 1026N -0.78 0.56 0.05 0.26 3.38 -1.55 -1.13 115.31 116.09 3m3y h LEU 1026Ca -0.01 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 3m3y h LEU 1026Cb 0.76 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.45 3m3y h LEU 1026CO -0.22 0.28 -0.56 0.40 0.09 0.00 0.00 178.44 178.43 3m3y h ILE 1027N 0.59 1.51 -0.50 1.22 2.04 0.89 -3.15 117.51 120.11 3m3y h ILE 1027Ca 0.43 -2.23 0.10 0.00 1.00 0.00 0.00 64.86 64.16 3m3y h ILE 1027Cb 0.81 2.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.76 3m3y h ILE 1027CO -0.18 0.63 0.34 1.05 0.00 0.00 0.00 178.15 179.99 3m3y h GLU 1028N -0.34 0.22 -0.41 2.37 4.11 0.87 0.43 114.58 121.83 3m3y h GLU 1028Ca -0.08 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.18 3m3y h GLU 1028Cb 1.34 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3m3y h GLU 1028CO 0.11 0.15 -0.33 0.00 0.07 0.00 0.00 179.01 179.00 3m3y h LEU 1030N 0.79 0.44 0.39 0.00 5.85 -0.86 -2.46 115.31 119.46 3m3y h LEU 1030Ca 0.08 -0.82 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 3m3y h LEU 1030Cb 0.92 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3m3y h LEU 1030CO 0.09 1.21 -0.49 0.25 -0.34 0.00 0.00 178.44 179.16 3m3y h LEU 1031N -0.28 -1.36 -0.94 2.25 5.85 -0.28 -2.89 115.31 117.66 3m3y h LEU 1031Ca -0.08 0.12 0.27 0.00 0.84 0.00 0.00 57.88 59.03 3m3y h LEU 1031Cb 1.33 0.46 -0.16 0.00 0.37 0.00 0.00 40.66 42.66 3m3y h LEU 1031CO 0.11 -0.62 0.18 0.28 -0.34 0.00 0.00 178.44 178.05 3m3y h SER 1032N -0.91 -0.17 -0.40 1.25 0.02 -0.55 -0.68 113.55 112.11 3m3y h SER 1032Ca -0.04 0.24 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3m3y h SER 1032Cb 0.82 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 3m3y h SER 1032CO -0.12 -0.28 0.19 0.50 -1.14 0.00 0.00 176.83 175.99 3m3y h LYS 1033N 0.09 0.38 0.25 3.45 3.64 -1.25 -1.99 116.57 121.14 3m3y h LYS 1033Ca 0.61 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.95 3m3y h LYS 1033Cb 1.30 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3m3y h LYS 1033CO -0.78 0.25 -0.12 0.28 -2.27 0.00 0.00 179.45 176.81 3m3y h VAL 1034N 0.39 0.81 -0.85 2.00 2.07 -0.95 -2.36 116.25 117.37 3m3y h VAL 1034Ca 0.17 -0.51 0.13 0.00 0.82 0.00 0.00 66.70 67.31 3m3y h VAL 1034Cb 0.08 1.10 -0.13 0.00 -1.52 0.00 0.00 31.29 30.82 3m3y h VAL 1034CO -0.12 0.11 -0.35 0.00 0.02 0.00 0.00 177.57 177.23 3m3y n ALA 1035N -2.38 -0.14 0.26 1.67 0.00 -0.82 -0.24 120.51 118.86 3m3y n ALA 1035Ca -0.09 0.84 -0.16 0.00 0.00 0.00 0.00 53.44 54.03 3m3y n ALA 1035Cb 0.23 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 3m3y n ALA 1035CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m3y h ALA 1036N 1.12 -0.71 -0.20 0.00 0.00 -1.20 1.28 119.26 119.56 3m3y h ALA 1036Ca 0.29 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3m3y h ALA 1036Cb 0.50 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3m3y h ALA 1036CO -0.84 -0.92 -0.05 -0.07 0.00 0.00 0.00 179.25 177.36 3m3y h LEU 1037N -0.71 -0.19 -0.35 0.00 3.38 -0.91 -3.18 115.31 113.34 3m3y h LEU 1037Ca -0.04 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 3m3y h LEU 1037Cb 0.59 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3m3y h LEU 1037CO 0.02 -0.07 -0.80 0.77 0.09 0.00 0.00 178.44 178.46 3m3y h SER 1038N -0.00 0.00 0.00 -0.43 4.64 -0.50 -3.47 113.55 113.78 3m3y h SER 1038Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3m3y h SER 1038Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3m3y h SER 1038CO -0.21 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 3m3y n GLY 1039N 0.85 0.71 0.67 -0.77 0.00 0.44 -5.04 105.19 102.05 3m3y n GLY 1039Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3m3y n GLY 1039CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m3y n ASN 1040N 0.00 0.12 -4.02 1.61 3.02 -0.98 -5.00 115.26 110.01 3m3y n ASN 1040Ca 0.00 -1.14 -0.31 0.00 -0.03 0.00 0.00 54.58 53.10 3m3y n ASN 1040Cb 0.00 -0.14 -0.15 0.00 -0.61 0.00 0.00 39.78 38.87 3m3y n ASN 1040CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3m3y s GLU 1041N -3.18 2.00 0.07 3.52 2.12 -1.26 -4.60 118.70 117.36 3m3y s GLU 1041Ca 0.12 -1.26 -0.31 0.00 0.36 0.00 0.00 54.97 53.89 3m3y s GLU 1041Cb -0.00 -2.80 -0.09 0.00 0.26 0.00 0.00 34.13 31.50 3m3y s GLU 1041CO 0.08 -0.60 1.78 0.20 -0.54 0.00 0.00 175.26 176.19 3m3y s GLY 1042N 1.19 1.46 -0.50 -1.50 0.00 -0.96 -4.91 107.32 102.10 3m3y s GLY 1042Ca -0.07 1.28 -0.23 0.00 0.00 0.00 0.00 44.72 45.71 3m3y s GLY 1042CO -0.06 3.12 0.80 -0.35 0.00 0.00 0.00 173.10 176.62 3m3y s ASP 1043N 3.07 6.34 -0.49 1.64 2.15 -1.26 -0.35 116.67 127.77 3m3y s ASP 1043Ca 0.79 -0.36 0.03 0.00 0.43 0.00 0.00 52.55 53.44 3m3y s ASP 1043Cb -0.42 -2.38 0.47 0.00 -0.30 0.00 0.00 42.92 40.29 3m3y s ASP 1043CO 0.35 -1.01 1.67 0.00 -0.17 0.00 0.00 175.17 176.01 3m3y n ALA 1044N 6.85 5.64 -1.76 3.66 0.00 0.67 -4.88 120.51 130.70 3m3y n ALA 1044Ca 0.00 -3.54 -0.38 0.00 0.00 0.00 0.00 53.44 49.52 3m3y n ALA 1044Cb 0.47 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.82 3m3y n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3m3y s SER 1045N -2.52 5.59 0.00 0.00 0.01 -1.22 -1.57 113.70 113.98 3m3y s SER 1045Ca 0.58 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.48 3m3y s SER 1045Cb 0.46 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 64.06 3m3y s SER 1045CO 0.01 -1.34 0.00 -2.65 0.41 0.00 0.00 173.24 169.67 3m3y n PRO 1046N -0.79 0.00 -3.00 12.44 -0.02 -1.26 -4.34 135.00 138.04 3m3y n PRO 1046Ca 0.09 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.13 3m3y n PRO 1046Cb 0.46 -0.21 -0.02 0.00 -0.02 0.00 0.00 33.50 33.70 3m3y n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3m3y s PHE 1047N 0.00 3.31 0.23 6.00 0.40 -1.26 -4.84 117.98 121.83 3m3y s PHE 1047Ca 0.00 -1.65 0.01 0.00 -0.60 0.00 0.00 56.93 54.69 3m3y s PHE 1047Cb 0.00 -4.21 -0.04 0.00 0.51 0.00 0.00 43.02 39.28 3m3y s PHE 1047CO 0.00 -1.39 0.15 0.95 0.70 0.00 0.00 175.22 175.63 3m3y s THR 1048N 2.02 0.10 -0.43 0.64 -4.23 -1.26 -5.02 115.64 107.46 3m3y s THR 1048Ca 0.33 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.93 3m3y s THR 1048Cb -0.05 -2.52 0.60 0.00 1.34 0.00 0.00 72.50 71.87 3m3y s THR 1048CO -0.08 0.00 1.46 0.47 -0.54 0.00 0.00 174.62 175.93 3m3y n ASP 1049N -0.51 4.41 -4.72 3.99 8.00 -1.26 -4.89 116.55 121.58 3m3y n ASP 1049Ca 0.02 -2.76 -0.42 0.00 0.71 0.00 0.00 54.79 52.35 3m3y n ASP 1049Cb 0.65 -0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 3m3y n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3m3y s ILE 1050N -2.33 4.75 -0.02 0.53 1.01 -1.26 -5.01 121.20 118.87 3m3y s ILE 1050Ca 0.41 2.05 -0.00 0.00 0.00 0.00 0.00 60.65 63.10 3m3y s ILE 1050Cb 0.32 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.50 3m3y s ILE 1050CO 0.11 0.22 0.03 -0.89 0.00 0.00 0.00 174.94 174.41 3m3y s THR 1051N 0.66 -0.06 0.54 2.92 2.01 -1.26 -5.05 115.64 115.40 3m3y s THR 1051Ca 0.50 0.23 0.30 0.00 0.31 0.00 0.00 61.69 63.03 3m3y s THR 1051Cb -0.22 -0.09 0.45 0.00 0.01 0.00 0.00 72.50 72.65 3m3y s THR 1051CO 0.28 0.09 1.91 0.58 -0.69 0.00 0.00 174.62 176.80 3m3y h VAL 1052N 6.30 0.56 -0.14 3.82 2.07 -1.95 0.34 116.25 127.26 3m3y h VAL 1052Ca -0.44 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 3m3y h VAL 1052Cb 1.12 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3m3y h VAL 1052CO 0.46 0.00 -0.41 -0.33 0.02 0.00 0.00 177.57 177.32 3m3y h GLU 1053N 0.00 0.51 0.00 1.57 4.39 -1.96 -2.26 114.58 116.83 3m3y h GLU 1053Ca 0.35 -0.37 -0.11 0.00 0.34 0.00 0.00 59.36 59.57 3m3y h GLU 1053Cb 1.46 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 3m3y h GLU 1053CO -0.00 0.99 -0.50 0.78 -1.16 0.00 0.00 179.01 179.11 3m3y h GLY 1054N 0.13 0.00 0.50 -3.84 0.00 -0.80 -1.98 103.07 97.09 3m3y h GLY 1054Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3m3y h GLY 1054CO 0.09 0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.28 3m3y h ILE 1055N 0.00 0.66 -1.10 2.60 1.08 -1.24 -3.14 117.51 116.37 3m3y h ILE 1055Ca -0.01 -0.82 0.33 0.00 -0.39 0.00 0.00 64.86 63.97 3m3y h ILE 1055Cb 1.00 1.03 -0.12 0.00 -3.07 0.00 0.00 36.82 35.66 3m3y h ILE 1055CO 0.07 0.14 0.67 0.28 -0.69 0.00 0.00 178.15 178.62 3m3y h SER 1056N -0.87 0.44 -0.65 1.72 0.02 -1.32 0.29 113.55 113.18 3m3y h SER 1056Ca -0.04 0.14 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3m3y h SER 1056Cb 0.51 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3m3y h SER 1056CO 0.06 -0.06 0.10 0.50 -1.14 0.00 0.00 176.83 176.29 3m3y h LYS 1057N 0.31 1.10 -0.50 3.45 3.64 -1.40 -1.96 116.57 121.20 3m3y h LYS 1057Ca 0.71 -0.30 -0.13 0.00 -1.27 0.00 0.00 60.65 59.66 3m3y h LYS 1057Cb 1.82 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 3m3y h LYS 1057CO -0.45 1.01 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.48 3m3y h LEU 1058N 1.02 1.03 -1.26 5.20 3.38 -0.48 -1.94 115.31 122.27 3m3y h LEU 1058Ca 0.20 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3m3y h LEU 1058Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3m3y h LEU 1058CO 0.01 1.18 -0.32 0.25 0.09 0.00 0.00 178.44 179.66 3m3y h LEU 1059N 0.87 0.00 -0.07 1.67 5.85 -0.89 -3.04 115.31 119.71 3m3y h LEU 1059Ca 0.12 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 3m3y h LEU 1059Cb 0.77 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.81 3m3y h LEU 1059CO 0.06 0.32 -0.57 -0.09 -0.34 0.00 0.00 178.44 177.82 3m3y h ARG 1060N 0.00 0.50 -0.32 1.25 9.65 -0.68 -2.27 114.38 122.52 3m3y h ARG 1060Ca -0.00 -0.45 0.09 0.00 -1.10 0.00 0.00 59.98 58.52 3m3y h ARG 1060Cb 0.69 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 3m3y h ARG 1060CO 0.04 1.09 0.35 0.93 2.80 0.00 0.00 179.97 185.18 3m3y h GLU 1061N 0.07 0.00 -0.07 0.20 5.08 -1.27 -0.38 114.58 118.22 3m3y h GLU 1061Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3m3y h GLU 1061Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3m3y h GLU 1061CO 0.12 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.85 3m3y n HIS 1062N -3.72 0.09 -0.27 4.33 8.25 -0.86 -4.86 115.22 118.18 3m3y n HIS 1062Ca 0.05 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3m3y n HIS 1062Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 3m3y n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m3y n GLY 1063N 0.85 0.65 3.66 -1.41 0.00 -0.15 -5.05 105.19 103.73 3m3y n GLY 1063Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3m3y n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m3y s TYR 1064N -2.53 2.84 0.10 1.61 1.51 -1.17 -5.05 117.35 114.67 3m3y s TYR 1064Ca 0.00 -0.13 -0.31 0.00 -1.01 0.00 0.00 57.07 55.62 3m3y s TYR 1064Cb 0.00 -1.39 -0.09 0.00 -0.11 0.00 0.00 41.96 40.37 3m3y s TYR 1064CO 0.00 0.51 1.69 1.14 -1.11 0.00 0.00 175.55 177.78 3m3y s GLN 1065N -2.84 4.18 0.00 -0.62 1.03 -1.26 -3.88 119.66 116.27 3m3y s GLN 1065Ca 0.27 2.42 0.03 0.00 0.04 0.00 0.00 55.36 58.11 3m3y s GLN 1065Cb -0.10 -3.51 0.18 0.00 0.03 0.00 0.00 33.01 29.62 3m3y s GLN 1065CO 0.18 -0.74 0.54 -1.13 -2.54 0.00 0.00 175.29 171.60 3m3y n SER 1066N 5.30 0.00 -0.14 12.60 3.41 -1.26 -2.71 113.62 130.82 3m3y n SER 1066Ca 0.16 -0.58 0.08 0.00 -0.26 0.00 0.00 58.87 58.27 3m3y n SER 1066Cb 0.39 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.45 3m3y n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3m3y n ARG 1067N -0.64 1.16 0.00 4.33 5.12 -1.26 -4.37 116.66 121.00 3m3y n ARG 1067Ca 0.02 -2.22 0.00 0.00 -1.93 0.00 0.00 57.85 53.73 3m3y n ARG 1067Cb 0.01 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 3m3y n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3m3y n GLY 1068N -1.12 2.87 3.59 -0.13 0.00 -1.10 -4.96 105.19 104.35 3m3y n GLY 1068Ca 0.12 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 3m3y n GLY 1068CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m3y n PHE 1069N 0.00 0.80 -3.79 1.61 3.01 -1.26 -3.38 117.46 114.45 3m3y n PHE 1069Ca 0.00 0.50 -0.13 0.00 1.01 0.00 0.00 57.45 58.83 3m3y n PHE 1069Cb 0.00 -2.16 -0.13 0.00 -0.01 0.00 0.00 39.48 37.18 3m3y n PHE 1069CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3m3y s GLU 1070N -2.29 0.15 0.32 -1.08 2.02 -0.71 -4.39 118.70 112.72 3m3y s GLU 1070Ca 0.68 0.29 -0.29 0.00 0.02 0.00 0.00 54.97 55.67 3m3y s GLU 1070Cb -0.49 -0.02 -0.12 0.00 0.10 0.00 0.00 34.13 33.60 3m3y s GLU 1070CO 0.53 -0.08 1.51 0.28 0.02 0.00 0.00 175.26 177.52 3m3y n VAL 1071N 3.51 1.43 -4.31 2.63 0.31 -1.26 -2.36 118.33 118.28 3m3y n VAL 1071Ca -0.18 -0.36 -0.16 0.00 -0.01 0.00 0.00 64.34 63.63 3m3y n VAL 1071Cb 0.56 -1.88 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 3m3y n VAL 1071CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3m3y s MET 1072N -1.15 1.30 -0.10 5.55 -1.94 -1.26 -4.07 119.30 117.64 3m3y s MET 1072Ca 0.60 -1.66 0.03 0.00 -1.71 0.00 0.00 55.69 52.95 3m3y s MET 1072Cb -0.51 -0.53 -0.01 0.00 2.01 0.00 0.00 34.83 35.79 3m3y s MET 1072CO 0.55 -0.12 -0.21 0.71 -0.01 0.00 0.00 175.02 175.94 3m3y s TYR 1073N -3.49 2.61 0.38 -0.03 1.51 0.21 -0.53 117.35 118.02 3m3y s TYR 1073Ca 0.28 -0.84 -0.28 0.00 -1.01 0.00 0.00 57.07 55.23 3m3y s TYR 1073Cb 0.06 -1.72 -0.10 0.00 -0.11 0.00 0.00 41.96 40.08 3m3y s TYR 1073CO 0.08 -0.30 1.46 1.21 -1.11 0.00 0.00 175.55 176.89 3m3y s ASN 1074N 0.20 6.31 0.17 2.29 3.84 -0.69 -1.64 114.94 125.42 3m3y s ASN 1074Ca -0.13 2.99 0.23 0.00 0.21 0.00 0.00 52.86 56.17 3m3y s ASN 1074Cb -0.16 -2.66 0.20 0.00 -0.55 0.00 0.00 41.25 38.07 3m3y s ASN 1074CO 0.07 -0.89 1.22 1.23 -2.79 0.00 0.00 177.10 175.94 3m3y h GLY 1075N 2.93 0.00 2.00 1.21 0.00 -1.73 -1.21 103.07 106.26 3m3y h GLY 1075Ca -0.51 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 3m3y h GLY 1075CO 0.64 0.00 -0.19 0.45 0.00 0.00 0.00 176.54 177.44 3m3y h HIS 1076N 0.00 0.00 0.00 5.60 3.86 -1.81 -3.40 115.15 119.41 3m3y h HIS 1076Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3m3y h HIS 1076Cb 0.86 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.33 3m3y h HIS 1076CO 0.00 0.19 -0.01 -2.37 0.86 0.00 0.00 177.93 176.60 3m3y n THR 1077N -3.33 0.00 0.00 2.45 5.66 -1.22 -5.02 114.28 112.81 3m3y n THR 1077Ca 0.00 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3m3y n THR 1077Cb 0.42 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.40 3m3y n THR 1077CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3m3y n GLY 1078N 0.04 2.00 3.77 1.09 0.00 -0.46 -4.99 105.19 106.64 3m3y n GLY 1078Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3m3y n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m3y s LYS 1079N 0.00 4.10 0.40 1.61 2.20 -1.26 -4.66 119.74 122.13 3m3y s LYS 1079Ca 0.00 2.15 -0.25 0.00 -0.36 0.00 0.00 55.97 57.51 3m3y s LYS 1079Cb 0.00 -2.85 -0.11 0.00 -1.51 0.00 0.00 37.83 33.35 3m3y s LYS 1079CO 0.00 -0.38 0.94 1.63 -0.36 0.00 0.00 175.35 177.18 3m3y n LYS 1080N 0.34 1.23 -2.39 4.03 5.02 -1.26 -1.70 118.16 123.43 3m3y n LYS 1080Ca 0.02 0.44 -0.41 0.00 -2.02 0.00 0.00 58.31 56.34 3m3y n LYS 1080Cb 0.43 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 3m3y n LYS 1080CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3m3y s LEU 1081N -0.01 4.43 0.12 -0.35 1.43 0.31 -4.70 118.68 119.90 3m3y s LEU 1081Ca 0.62 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.69 3m3y s LEU 1081Cb -0.59 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 41.96 3m3y s LEU 1081CO 0.57 -0.40 1.74 -0.03 0.23 0.00 0.00 176.35 178.47 3m3y h MET 1082N 5.75 0.11 -6.61 1.70 4.05 -1.93 -3.43 114.93 114.57 3m3y h MET 1082Ca -0.44 -0.01 -0.51 0.00 -0.28 0.00 0.00 59.70 58.47 3m3y h MET 1082Cb 1.21 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.99 3m3y h MET 1082CO 0.77 0.07 -0.06 0.00 0.23 0.00 0.00 176.91 177.92 3m3y s ALA 1083N -6.18 3.54 0.10 0.39 0.00 -1.26 -5.10 121.76 113.24 3m3y s ALA 1083Ca -0.13 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3m3y s ALA 1083Cb 0.09 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3m3y s ALA 1083CO 0.68 0.14 0.26 -0.65 0.00 0.00 0.00 175.76 176.19 3m3y s GLN 1084N -3.71 3.45 -0.08 0.00 1.11 -1.26 -4.62 119.66 114.55 3m3y s GLN 1084Ca 0.46 -0.48 -0.00 0.00 0.01 0.00 0.00 55.36 55.35 3m3y s GLN 1084Cb -0.11 -2.99 -0.03 0.00 -1.01 0.00 0.00 33.01 28.87 3m3y s GLN 1084CO 0.31 0.56 -0.06 0.42 0.01 0.00 0.00 175.29 176.53 3m3y s ILE 1085N -1.62 3.81 -0.21 1.08 1.09 -0.99 -4.86 121.20 119.49 3m3y s ILE 1085Ca 0.35 -0.43 -0.29 0.00 -1.10 0.00 0.00 60.65 59.18 3m3y s ILE 1085Cb -0.12 -2.58 -0.03 0.00 -1.06 0.00 0.00 42.46 38.67 3m3y s ILE 1085CO 0.28 0.59 1.73 0.12 -0.10 0.00 0.00 174.94 177.55 3m3y s PHE 1086N -0.66 1.91 -0.11 3.97 5.36 -1.26 -1.74 117.98 125.46 3m3y s PHE 1086Ca 0.10 0.46 0.01 0.00 -0.96 0.00 0.00 56.93 56.54 3m3y s PHE 1086Cb -0.12 -4.02 0.02 0.00 -0.34 0.00 0.00 43.02 38.56 3m3y s PHE 1086CO 0.02 -3.29 -0.13 0.12 -1.46 0.00 0.00 175.22 170.48 3m3y s PHE 1087N 5.62 1.83 -0.07 10.12 5.36 -1.22 -2.89 117.98 136.74 3m3y s PHE 1087Ca 0.77 -0.87 -0.31 0.00 -0.96 0.00 0.00 56.93 55.56 3m3y s PHE 1087Cb -0.27 -1.35 0.12 0.00 -0.34 0.00 0.00 43.02 41.17 3m3y s PHE 1087CO 0.31 -0.47 1.15 0.20 -1.46 0.00 0.00 175.22 174.95 3m3y s GLY 1088N 1.11 -0.35 0.60 13.12 0.00 -0.92 -4.84 107.32 116.03 3m3y s GLY 1088Ca -0.05 1.05 -0.19 0.00 0.00 0.00 0.00 44.72 45.54 3m3y s GLY 1088CO -0.03 0.31 1.23 2.56 0.00 0.00 0.00 173.10 177.18 3m3y s PRO 1089N -2.64 2.92 -0.28 2.90 0.05 -1.26 -1.09 135.00 135.60 3m3y s PRO 1089Ca 0.10 1.90 -0.17 0.00 0.05 0.00 0.00 61.00 62.89 3m3y s PRO 1089Cb 0.01 -1.94 0.08 0.00 0.05 0.00 0.00 34.50 32.69 3m3y s PRO 1089CO -0.04 -1.27 0.69 0.99 0.05 0.00 0.00 177.00 177.42 3m3y s THR 1090N -1.53 -0.00 0.08 1.26 2.01 -1.11 -4.37 115.64 111.98 3m3y s THR 1090Ca 0.78 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.47 3m3y s THR 1090Cb -0.32 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.11 3m3y s THR 1090CO 0.35 0.00 1.62 -0.47 -0.69 0.00 0.00 174.62 175.43 3m3y s TYR 1091N 1.46 2.57 -0.05 4.92 5.04 -1.26 -3.23 117.35 126.80 3m3y s TYR 1091Ca -0.09 0.41 0.06 0.00 -2.44 0.00 0.00 57.07 55.02 3m3y s TYR 1091Cb -0.05 -3.93 -0.01 0.00 0.35 0.00 0.00 41.96 38.31 3m3y s TYR 1091CO -0.17 -3.68 -0.23 0.71 -1.34 0.00 0.00 175.55 170.84 3m3y s TYR 1092N 2.34 2.23 -0.09 4.97 1.51 -0.26 -4.09 117.35 123.96 3m3y s TYR 1092Ca 0.72 -0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 56.14 3m3y s TYR 1092Cb -0.40 -1.46 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 3m3y s TYR 1092CO 0.32 -0.17 0.05 1.14 -1.11 0.00 0.00 175.55 175.77 3m3y s GLN 1093N -0.21 3.11 -0.19 -0.62 -2.07 0.04 -1.32 119.66 118.40 3m3y s GLN 1093Ca -0.01 -0.34 -0.17 0.00 -1.82 0.00 0.00 55.36 53.02 3m3y s GLN 1093Cb -0.12 -2.90 -0.04 0.00 -1.09 0.00 0.00 33.01 28.86 3m3y s GLN 1093CO 0.02 0.72 0.46 0.50 -1.32 0.00 0.00 175.29 175.67 3m3y s ARG 1094N -1.00 4.21 0.04 9.60 3.52 -1.26 -1.50 118.95 132.56 3m3y s ARG 1094Ca 0.15 0.32 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 3m3y s ARG 1094Cb -0.12 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 3m3y s ARG 1094CO 0.04 -0.05 0.14 -0.51 -0.81 0.00 0.00 175.30 174.10 3m3y s LEU 1095N 1.33 4.08 0.99 -0.88 1.43 -1.21 -1.02 118.68 123.40 3m3y s LEU 1095Ca 0.22 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 3m3y s LEU 1095Cb -0.15 -2.61 0.11 0.00 0.03 0.00 0.00 46.19 43.58 3m3y s LEU 1095CO 0.09 0.21 0.67 -2.11 0.23 0.00 0.00 176.35 175.44 3m3y n ARG 1096N 0.63 -0.77 -0.10 1.70 1.85 -1.10 -4.56 116.66 114.31 3m3y n ARG 1096Ca -0.09 -0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.58 3m3y n ARG 1096Cb 0.52 -2.05 0.00 0.00 -1.05 0.00 0.00 32.46 29.88 3m3y n ARG 1096CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3m3y n HIS 1097N -4.09 0.00 -4.43 2.89 8.25 -1.26 -4.83 115.22 111.75 3m3y n HIS 1097Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 3m3y n HIS 1097Cb 0.54 -0.12 -0.12 0.00 1.12 0.00 0.00 29.99 31.41 3m3y n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3m3y s MET 1098N -2.07 1.93 0.28 -0.41 -1.94 -1.26 -2.24 119.30 113.60 3m3y s MET 1098Ca 0.00 -1.09 -0.00 0.00 -1.71 0.00 0.00 55.69 52.89 3m3y s MET 1098Cb 0.00 -2.16 0.42 0.00 2.01 0.00 0.00 34.83 35.09 3m3y s MET 1098CO 0.00 0.51 1.81 0.28 -0.01 0.00 0.00 175.02 177.61 3m3y h VAL 1099N 3.67 1.23 0.00 -6.03 2.07 -1.97 -2.32 116.25 112.90 3m3y h VAL 1099Ca -0.49 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.14 3m3y h VAL 1099Cb 1.16 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3m3y h VAL 1099CO 0.47 0.32 0.00 0.47 0.02 0.00 0.00 177.57 178.85 3m3y n ASP 1100N -4.25 0.10 -0.15 0.57 8.00 -1.26 -0.49 116.55 119.06 3m3y n ASP 1100Ca 0.03 -1.77 0.06 0.00 0.71 0.00 0.00 54.79 53.82 3m3y n ASP 1100Cb 0.26 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 3m3y n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3m3y n ASP 1101N -0.44 1.00 -0.09 -2.24 8.00 -0.87 -4.75 116.55 117.17 3m3y n ASP 1101Ca 0.00 -1.00 -0.18 0.00 0.71 0.00 0.00 54.79 54.32 3m3y n ASP 1101Cb 0.02 0.72 -0.06 0.00 -0.02 0.00 0.00 41.12 41.78 3m3y n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3m3y n LYS 1102N -0.70 0.38 -0.68 -1.24 4.76 0.35 -5.01 118.16 116.02 3m3y n LYS 1102Ca 0.04 0.16 -0.31 0.00 -2.87 0.00 0.00 58.31 55.32 3m3y n LYS 1102Cb 0.23 -1.14 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 3m3y n LYS 1102CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3m3y n ILE 1103N -3.72 0.00 -3.98 -0.18 2.08 -0.12 -4.96 119.36 108.47 3m3y n ILE 1103Ca -0.34 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 62.88 3m3y n ILE 1103Cb 0.75 -0.25 -0.11 0.00 -0.75 0.00 0.00 39.64 39.28 3m3y n ILE 1103CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 3m3y s HIS 1104N 2.76 0.27 -0.20 1.39 5.65 -1.26 -5.01 115.29 118.89 3m3y s HIS 1104Ca 0.59 -0.56 -0.16 0.00 0.25 0.00 0.00 55.06 55.19 3m3y s HIS 1104Cb -0.76 -0.20 0.05 0.00 -1.18 0.00 0.00 32.58 30.49 3m3y s HIS 1104CO 0.35 -0.21 0.51 0.00 -0.65 0.00 0.00 174.74 174.75 3m3y s ALA 1105N -1.62 -1.30 -0.03 1.58 0.00 -1.26 -5.16 121.76 113.97 3m3y s ALA 1105Ca -0.14 1.57 -0.00 0.00 0.00 0.00 0.00 51.96 53.38 3m3y s ALA 1105Cb -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.14 3m3y s ALA 1105CO -0.02 -0.26 0.01 0.50 0.00 0.00 0.00 175.76 175.99 3m3y s ARG 1106N 0.61 0.27 -0.58 0.00 3.52 -1.26 -5.01 118.95 116.49 3m3y s ARG 1106Ca -0.03 0.12 0.06 0.00 -0.13 0.00 0.00 55.73 55.76 3m3y s ARG 1106Cb -0.05 -0.52 0.23 0.00 -1.56 0.00 0.00 34.95 33.05 3m3y s ARG 1106CO -0.04 -0.18 0.62 0.00 -0.81 0.00 0.00 175.30 174.89 3m3y n ALA 1107N 4.39 3.51 -0.87 6.12 0.00 -1.26 -4.99 120.51 127.40 3m3y n ALA 1107Ca -0.22 -4.31 0.00 0.00 0.00 0.00 0.00 53.44 48.91 3m3y n ALA 1107Cb 0.50 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3m3y n ALA 1107CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3m3y n ARG 1108N 1.35 -2.46 0.00 0.00 0.63 -1.26 -5.13 116.66 109.79 3m3y n ARG 1108Ca 0.26 1.78 0.00 0.00 -0.92 0.00 0.00 57.85 58.97 3m3y n ARG 1108Cb 0.43 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.37 3m3y n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3m3y n GLY 1109N -0.12 3.12 3.71 5.14 0.00 -1.26 -5.15 105.19 110.63 3m3y n GLY 1109Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3m3y n GLY 1109CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3m3y n PRO 1110N 0.00 1.94 -4.31 1.61 -0.04 -1.26 -4.96 135.00 127.97 3m3y n PRO 1110Ca 0.00 0.69 -0.22 0.00 -0.04 0.00 0.00 63.50 63.94 3m3y n PRO 1110Cb 0.00 -2.42 -0.11 0.00 -0.04 0.00 0.00 33.50 30.92 3m3y n PRO 1110CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3m3y s MET 1111N -2.29 1.21 0.69 0.54 -1.94 -1.26 -2.38 119.30 113.86 3m3y s MET 1111Ca 0.62 -1.34 -0.13 0.00 -1.71 0.00 0.00 55.69 53.13 3m3y s MET 1111Cb -0.49 -1.28 0.01 0.00 2.01 0.00 0.00 34.83 35.08 3m3y s MET 1111CO 0.57 0.27 1.09 -0.65 -0.01 0.00 0.00 175.02 176.29 3m3y s GLN 1112N -2.61 2.71 0.02 2.03 -0.21 -0.15 -4.82 119.66 116.63 3m3y s GLN 1112Ca 0.13 1.26 -0.17 0.00 0.02 0.00 0.00 55.36 56.59 3m3y s GLN 1112Cb -0.06 -1.95 -0.33 0.00 1.00 0.00 0.00 33.01 31.67 3m3y s GLN 1112CO 0.06 -1.30 1.01 -0.39 -2.12 0.00 0.00 175.29 172.54 3m3y h VAL 1113N -0.35 1.33 -0.54 1.09 -1.51 -1.98 -2.47 116.25 111.82 3m3y h VAL 1113Ca -0.45 -2.59 -0.02 0.00 -1.23 0.00 0.00 66.70 62.40 3m3y h VAL 1113Cb 1.23 2.99 -0.02 0.00 -2.13 0.00 0.00 31.29 33.36 3m3y h VAL 1113CO 0.54 0.77 0.27 0.25 -1.23 0.00 0.00 177.57 178.17 3m3y h LEU 1114N 0.07 0.70 0.00 4.19 5.85 -1.98 -3.25 115.31 120.89 3m3y h LEU 1114Ca -0.22 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3m3y h LEU 1114Cb 1.99 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.84 3m3y h LEU 1114CO 0.24 0.62 -0.92 0.35 -0.34 0.00 0.00 178.44 178.39 3m3y n THR 1115N -4.59 0.00 -2.13 1.05 -2.24 -1.26 -4.96 114.28 100.15 3m3y n THR 1115Ca 0.03 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 3m3y n THR 1115Cb 0.11 0.84 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 3m3y n THR 1115CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3m3y n ARG 1116N -1.49 -2.00 -2.97 -0.78 1.74 -0.93 -4.26 116.66 105.96 3m3y n ARG 1116Ca 0.02 0.57 -0.18 0.00 -0.77 0.00 0.00 57.85 57.49 3m3y n ARG 1116Cb 0.28 -5.05 0.03 0.00 -1.02 0.00 0.00 32.46 26.70 3m3y n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3m3y s GLN 1117N -4.43 2.59 0.80 5.56 -0.21 -1.26 -4.44 119.66 118.27 3m3y s GLN 1117Ca 0.00 -1.33 -0.10 0.00 0.02 0.00 0.00 55.36 53.95 3m3y s GLN 1117Cb 0.00 -2.69 0.08 0.00 1.00 0.00 0.00 33.01 31.40 3m3y s GLN 1117CO 0.00 -0.54 1.10 -2.14 -2.12 0.00 0.00 175.29 171.59 3m3y s PRO 1118N -4.51 1.99 0.72 2.91 0.02 -1.26 -0.98 135.00 133.89 3m3y s PRO 1118Ca 0.58 1.22 -0.09 0.00 0.02 0.00 0.00 61.00 62.73 3m3y s PRO 1118Cb -0.08 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.62 3m3y s PRO 1118CO 0.36 -1.85 1.07 0.14 -0.33 0.00 0.00 177.00 176.40 3m3y s VAL 1119N -2.86 2.70 -0.12 3.83 -7.23 -1.00 -4.44 120.40 111.27 3m3y s VAL 1119Ca 0.62 0.05 -0.06 0.00 -1.81 0.00 0.00 61.98 60.78 3m3y s VAL 1119Cb -0.18 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.53 3m3y s VAL 1119CO 0.56 -0.23 0.09 -0.70 -0.31 0.00 0.00 175.10 174.51 3m3y s GLU 1120N -5.35 3.41 0.00 4.82 2.12 -1.26 -2.62 118.70 119.82 3m3y s GLU 1120Ca 0.59 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.67 3m3y s GLU 1120Cb -0.11 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3m3y s GLU 1120CO 0.48 0.66 0.00 0.41 -0.54 0.00 0.00 175.26 176.27 3m3y n GLY 1121N 2.31 2.54 0.19 -1.50 0.00 -1.26 -4.51 105.19 102.96 3m3y n GLY 1121Ca -0.19 -1.63 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 3m3y n GLY 1121CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m3y h ARG 1122N 0.00 0.50 0.00 1.61 0.11 -1.95 0.11 114.38 114.75 3m3y h ARG 1122Ca 0.00 -0.40 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3m3y h ARG 1122Cb 0.00 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3m3y h ARG 1122CO 0.00 1.03 0.01 0.66 0.10 0.00 0.00 179.97 181.77 3m3y h SER 1123N 0.34 0.00 -0.01 0.08 4.64 -1.98 -1.37 113.55 115.25 3m3y h SER 1123Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3m3y h SER 1123Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3m3y h SER 1123CO 0.13 0.00 -0.07 -1.14 -0.87 0.00 0.00 176.83 174.88 3m3y n ARG 1124N -2.86 1.02 -2.71 4.77 0.63 -1.06 -4.97 116.66 111.47 3m3y n ARG 1124Ca -0.03 -0.91 -0.10 0.00 -0.92 0.00 0.00 57.85 55.89 3m3y n ARG 1124Cb 0.07 -1.15 0.05 0.00 0.45 0.00 0.00 32.46 31.88 3m3y n ARG 1124CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3m3y n ASP 1125N 0.26 -3.69 -4.89 6.15 2.03 -0.52 -4.89 116.55 111.01 3m3y n ASP 1125Ca 0.05 -0.42 -0.24 0.00 0.52 0.00 0.00 54.79 54.71 3m3y n ASP 1125Cb 0.23 -3.41 -0.02 0.00 -0.72 0.00 0.00 41.12 37.21 3m3y n ASP 1125CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3m3y s GLY 1126N -3.49 2.25 0.59 0.27 0.00 0.30 -4.56 107.32 102.67 3m3y s GLY 1126Ca 0.17 -1.61 -0.00 0.00 0.00 0.00 0.00 44.72 43.28 3m3y s GLY 1126CO 0.46 -1.84 0.83 -0.32 0.00 0.00 0.00 173.10 172.22 3m3y s GLY 1127N -4.23 1.80 -0.05 0.20 0.00 -1.08 -4.70 107.32 99.27 3m3y s GLY 1127Ca 0.41 -1.29 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 3m3y s GLY 1127CO 0.25 -0.97 0.12 1.08 0.00 0.00 0.00 173.10 173.57 3m3y s LEU 1128N -4.86 4.14 0.21 0.66 1.43 -1.26 -4.56 118.68 114.44 3m3y s LEU 1128Ca 0.58 0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 53.67 3m3y s LEU 1128Cb -0.10 -2.26 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 3m3y s LEU 1128CO 0.40 0.32 1.54 -0.60 0.23 0.00 0.00 176.35 178.24 3m3y s ARG 1129N -1.49 4.21 -0.83 1.70 3.52 -1.26 -4.93 118.95 119.87 3m3y s ARG 1129Ca 0.21 2.39 -0.16 0.00 -0.13 0.00 0.00 55.73 58.04 3m3y s ARG 1129Cb -0.12 -3.12 0.18 0.00 -1.56 0.00 0.00 34.95 30.33 3m3y s ARG 1129CO 0.11 -0.57 0.86 0.12 -0.81 0.00 0.00 175.30 175.02 3m3y s PHE 1130N 0.66 3.49 0.65 5.12 5.36 -1.26 -5.06 117.98 126.94 3m3y s PHE 1130Ca 0.66 -1.70 -0.11 0.00 -0.96 0.00 0.00 56.93 54.82 3m3y s PHE 1130Cb -0.44 -3.98 -0.02 0.00 -0.34 0.00 0.00 43.02 38.24 3m3y s PHE 1130CO 0.37 -1.17 1.04 0.20 -1.46 0.00 0.00 175.22 174.20 3m3y s GLY 1131N 2.78 1.69 0.35 13.12 0.00 -1.26 -4.73 107.32 119.26 3m3y s GLY 1131Ca 0.21 0.02 0.14 0.00 0.00 0.00 0.00 44.72 45.09 3m3y s GLY 1131CO -0.07 0.31 1.70 0.83 0.00 0.00 0.00 173.10 175.86 3m3y h GLU 1132N -0.46 0.41 -0.45 2.90 5.08 -1.98 0.43 114.58 120.51 3m3y h GLU 1132Ca -0.44 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 3m3y h GLU 1132Cb 1.20 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3m3y h GLU 1132CO 0.59 0.27 0.07 0.52 -1.00 0.00 0.00 179.01 179.46 3m3y h MET 1133N 0.42 0.70 -0.01 2.33 2.86 -1.99 0.48 114.93 119.73 3m3y h MET 1133Ca 0.68 -0.15 -0.22 0.00 -2.06 0.00 0.00 59.70 57.95 3m3y h MET 1133Cb 1.53 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3m3y h MET 1133CO -0.49 0.67 -0.92 0.93 1.06 0.00 0.00 176.91 178.16 3m3y h GLU 1134N 0.68 0.40 -0.80 1.72 3.07 -0.66 -2.68 114.58 116.30 3m3y h GLU 1134Ca 0.15 -0.42 0.03 0.00 -0.50 0.00 0.00 59.36 58.61 3m3y h GLU 1134Cb 0.32 0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 3m3y h GLU 1134CO 0.00 1.09 0.53 -0.09 -1.40 0.00 0.00 179.01 179.14 3m3y h ARG 1135N 0.23 0.98 -0.42 2.33 2.43 0.03 -2.24 114.38 117.72 3m3y h ARG 1135Ca -0.07 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 3m3y h ARG 1135Cb 1.55 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 3m3y h ARG 1135CO 0.16 0.65 0.01 -0.44 -1.51 0.00 0.00 179.97 178.83 3m3y h ASP 1136N 1.01 0.72 -0.67 -3.80 3.32 -0.88 -1.40 116.42 114.72 3m3y h ASP 1136Ca 0.32 -0.30 0.06 0.00 0.02 0.00 0.00 57.03 57.12 3m3y h ASP 1136Cb 0.01 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.31 3m3y h ASP 1136CO -0.09 0.85 0.37 0.00 -1.72 0.00 0.00 179.24 178.65 3m3y h MET 1138N 0.68 0.49 -0.17 0.00 2.86 -1.24 -2.44 114.93 115.10 3m3y h MET 1138Ca 0.30 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m3y h MET 1138Cb 0.19 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3m3y h MET 1138CO -0.18 0.90 0.11 0.82 1.06 0.00 0.00 176.91 179.62 3m3y h ILE 1139N 0.38 1.04 -0.64 -1.22 2.04 -0.82 -1.87 117.51 116.42 3m3y h ILE 1139Ca 0.01 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3m3y h ILE 1139Cb 1.05 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 3m3y h ILE 1139CO 0.10 0.04 0.33 0.00 0.00 0.00 0.00 178.15 178.62 3m3y h ALA 1140N 1.06 0.85 0.00 1.87 0.00 -0.52 -1.15 119.26 121.37 3m3y h ALA 1140Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3m3y h ALA 1140Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3m3y h ALA 1140CO -0.01 -0.02 -0.21 0.45 0.00 0.00 0.00 179.25 179.45 3m3y h HIS 1141N 0.60 0.00 -0.44 0.00 3.86 -1.34 -3.46 115.15 114.37 3m3y h HIS 1141Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 3m3y h HIS 1141Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3m3y h HIS 1141CO -0.10 0.21 0.00 0.41 0.86 0.00 0.00 177.93 179.31 3m3y n GLY 1142N -0.84 0.85 3.34 2.45 0.00 -0.44 -5.01 105.19 105.55 3m3y n GLY 1142Ca -0.02 -0.61 -0.46 0.00 0.00 0.00 0.00 46.02 44.93 3m3y n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3y s ALA 1143N -2.44 4.48 0.05 4.61 0.00 -0.78 -4.89 121.76 122.78 3m3y s ALA 1143Ca 0.00 -3.64 -0.05 0.00 0.00 0.00 0.00 51.96 48.27 3m3y s ALA 1143Cb 0.00 -3.57 -0.29 0.00 0.00 0.00 0.00 23.12 19.26 3m3y s ALA 1143CO 0.00 -2.25 1.03 0.00 0.00 0.00 0.00 175.76 174.54 3m3y h ALA 1144N 7.09 0.14 0.00 0.00 0.00 -1.95 -2.67 119.26 121.87 3m3y h ALA 1144Ca 0.16 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 54.06 3m3y h ALA 1144Cb 0.93 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3m3y h ALA 1144CO 0.93 1.01 -0.19 0.77 0.00 0.00 0.00 179.25 181.77 3m3y h SER 1145N 0.08 0.00 0.18 0.00 0.02 -1.99 -1.00 113.55 110.84 3m3y h SER 1145Ca -0.18 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.50 3m3y h SER 1145Cb 2.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.57 3m3y h SER 1145CO 0.19 0.19 -1.21 0.15 -1.14 0.00 0.00 176.83 175.02 3m3y h PHE 1146N 0.00 0.70 -0.30 3.45 3.57 -1.96 -0.46 116.94 121.94 3m3y h PHE 1146Ca -0.00 -0.51 -0.01 0.00 3.53 0.00 0.00 57.97 60.97 3m3y h PHE 1146Cb 0.46 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 3m3y h PHE 1146CO 0.00 1.46 0.13 1.25 -2.23 0.00 0.00 178.31 178.92 3m3y h LEU 1147N -0.14 0.36 0.40 0.59 6.46 -1.32 0.13 115.31 121.80 3m3y h LEU 1147Ca -0.22 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.49 3m3y h LEU 1147Cb 1.88 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.72 3m3y h LEU 1147CO 0.19 0.33 -0.19 0.50 -0.62 0.00 0.00 178.44 178.64 3m3y h LYS 1148N 0.41 -0.52 -0.87 1.25 3.64 -1.15 -3.12 116.57 116.21 3m3y h LYS 1148Ca 0.11 0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.74 3m3y h LYS 1148Cb 0.07 0.12 -0.13 0.00 -0.41 0.00 0.00 32.23 31.88 3m3y h LYS 1148CO -0.01 -0.35 0.30 1.49 -2.27 0.00 0.00 179.45 178.61 3m3y h GLU 1149N -0.83 0.28 0.00 1.90 4.81 -0.95 0.29 114.58 120.08 3m3y h GLU 1149Ca -0.06 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3m3y h GLU 1149Cb 0.42 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3m3y h GLU 1149CO 0.09 0.19 -0.03 0.00 -0.73 0.00 0.00 179.01 178.53 3m3y h ARG 1150N 0.29 0.00 -0.36 1.92 2.47 -0.83 -0.38 114.38 117.48 3m3y h ARG 1150Ca 0.54 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.26 3m3y h ARG 1150Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 3m3y h ARG 1150CO -0.59 0.03 0.00 1.28 0.56 0.00 0.00 179.97 181.25 3m3y n LEU 1151N -3.88 3.62 0.14 3.04 4.32 0.91 -4.42 117.00 120.73 3m3y n LEU 1151Ca -0.03 -2.48 0.00 0.00 -0.02 0.00 0.00 56.01 53.49 3m3y n LEU 1151Cb 0.11 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.50 3m3y n LEU 1151CO 0.29 0.72 0.00 0.23 -1.22 0.00 0.00 177.39 177.41 3m3y n MET 1152N 0.21 0.00 0.09 3.23 2.81 -0.50 -4.54 117.12 118.42 3m3y n MET 1152Ca 0.18 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.92 3m3y n MET 1152Cb 0.69 -0.01 -0.10 0.00 -0.71 0.00 0.00 33.22 33.08 3m3y n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3m3y h GLU 1153N 0.00 0.31 0.00 0.03 3.07 -1.31 -1.46 114.58 115.22 3m3y h GLU 1153Ca 0.00 -0.46 -0.12 0.00 -0.50 0.00 0.00 59.36 58.29 3m3y h GLU 1153Cb 0.00 0.16 0.06 0.00 -0.84 0.00 0.00 28.75 28.12 3m3y h GLU 1153CO 0.00 1.18 0.05 0.00 -1.40 0.00 0.00 179.01 178.84 3m3y n ALA 1154N -2.54 -0.93 0.00 3.43 0.00 -1.05 -4.89 120.51 114.53 3m3y n ALA 1154Ca -0.08 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3m3y n ALA 1154Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.38 3m3y n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3m3y n SER 1155N -3.51 0.00 -1.26 0.00 2.88 -1.26 -4.28 113.62 106.19 3m3y n SER 1155Ca 0.05 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.51 3m3y n SER 1155Cb 0.17 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.81 3m3y n SER 1155CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3m3y n ASP 1156N 0.21 2.91 -4.10 -3.46 3.85 -1.25 -4.83 116.55 109.87 3m3y n ASP 1156Ca 0.00 -3.81 -0.44 0.00 -0.71 0.00 0.00 54.79 49.83 3m3y n ASP 1156Cb 0.00 -0.60 -0.03 0.00 -1.35 0.00 0.00 41.12 39.14 3m3y n ASP 1156CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3m3y n ALA 1157N -1.07 -2.77 -3.58 2.12 0.00 -0.55 -0.19 120.51 114.47 3m3y n ALA 1157Ca 0.34 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 54.01 3m3y n ALA 1157Cb 0.96 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 3m3y n ALA 1157CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3m3y s PHE 1158N -1.00 -0.72 -0.17 0.00 5.36 -0.63 -4.64 117.98 116.19 3m3y s PHE 1158Ca 0.59 1.54 -0.02 0.00 -0.96 0.00 0.00 56.93 58.08 3m3y s PHE 1158Cb -0.84 0.33 -0.02 0.00 -0.34 0.00 0.00 43.02 42.16 3m3y s PHE 1158CO 0.53 -0.47 -0.08 0.50 -1.46 0.00 0.00 175.22 174.25 3m3y s ARG 1159N -0.30 3.45 0.36 10.12 3.00 -1.26 -0.56 118.95 133.76 3m3y s ARG 1159Ca -0.04 -0.62 0.04 0.00 -1.00 0.00 0.00 55.73 54.10 3m3y s ARG 1159Cb -0.03 -2.84 -0.05 0.00 0.00 0.00 0.00 34.95 32.03 3m3y s ARG 1159CO 0.04 0.07 0.07 0.08 0.00 0.00 0.00 175.30 175.56 3m3y s VAL 1160N 0.77 1.11 -0.13 7.11 1.01 -1.04 -4.99 120.40 124.24 3m3y s VAL 1160Ca -0.03 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 59.97 3m3y s VAL 1160Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3m3y s VAL 1160CO 0.02 0.00 -0.21 -1.00 0.00 0.00 0.00 175.10 173.91 3m3y s HIS 1161N -3.21 2.67 0.06 5.22 3.76 -1.26 -1.93 115.29 120.61 3m3y s HIS 1161Ca 0.31 -1.15 0.06 0.00 -0.15 0.00 0.00 55.06 54.14 3m3y s HIS 1161Cb 0.07 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 3m3y s HIS 1161CO 0.15 -0.50 -0.11 0.42 -0.85 0.00 0.00 174.74 173.84 3m3y s ILE 1162N 0.64 3.28 -0.06 0.60 -1.09 -0.18 -4.19 121.20 120.20 3m3y s ILE 1162Ca -0.11 -1.14 -0.30 0.00 -2.23 0.00 0.00 60.65 56.88 3m3y s ILE 1162Cb -0.16 -2.47 -0.02 0.00 -1.58 0.00 0.00 42.46 38.22 3m3y s ILE 1162CO 0.02 0.23 1.03 0.00 -1.23 0.00 0.00 174.94 175.00 3m3y n GLY 1164N 3.07 -0.78 0.00 0.00 0.00 -1.02 -2.06 105.19 104.40 3m3y n GLY 1164Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3m3y n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m3y n ILE 1165N -1.49 0.00 0.01 -0.61 2.08 -1.26 -4.80 119.36 113.29 3m3y n ILE 1165Ca 0.02 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.26 3m3y n ILE 1165Cb 0.10 -0.79 0.10 0.00 -0.75 0.00 0.00 39.64 38.30 3m3y n ILE 1165CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m3y n GLY 1167N 0.07 0.84 3.99 0.00 0.00 -0.87 -4.75 105.19 104.46 3m3y n GLY 1167Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 3m3y n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m3y s LEU 1168N 0.00 3.86 -1.34 0.99 1.43 -1.26 -0.51 118.68 121.85 3m3y s LEU 1168Ca 0.00 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 3m3y s LEU 1168Cb 0.00 -2.70 0.09 0.00 0.03 0.00 0.00 46.19 43.61 3m3y s LEU 1168CO 0.00 -0.53 1.91 0.23 0.23 0.00 0.00 176.35 178.19 3m3y n MET 1169N -1.70 3.19 -0.06 1.70 2.81 -1.26 -2.15 117.12 119.64 3m3y n MET 1169Ca 0.02 -3.16 -0.03 0.00 -1.81 0.00 0.00 57.70 52.72 3m3y n MET 1169Cb 0.58 -3.23 -0.13 0.00 -0.71 0.00 0.00 33.22 29.73 3m3y n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3m3y n THR 1170N 4.98 0.81 -1.43 2.03 -1.04 -1.26 -5.03 114.28 113.34 3m3y n THR 1170Ca 0.46 -0.61 -0.44 0.00 -2.04 0.00 0.00 64.05 61.42 3m3y n THR 1170Cb 0.41 -0.38 -0.01 0.00 -1.82 0.00 0.00 70.33 68.53 3m3y n THR 1170CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3m3y n VAL 1171N -2.47 1.65 -3.68 12.58 0.31 -1.26 -4.93 118.33 120.54 3m3y n VAL 1171Ca -0.20 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.28 3m3y n VAL 1171Cb 0.88 -0.34 -0.08 0.00 -0.91 0.00 0.00 33.84 33.39 3m3y n VAL 1171CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3m3y s ILE 1172N -1.30 4.10 -0.76 2.52 1.01 -0.96 -4.98 121.20 120.83 3m3y s ILE 1172Ca 0.62 -3.80 -0.26 0.00 0.00 0.00 0.00 60.65 57.21 3m3y s ILE 1172Cb -0.73 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3m3y s ILE 1172CO 0.59 -1.05 1.63 0.00 0.00 0.00 0.00 174.94 176.10 3m3y s ALA 1173N -1.19 2.36 -0.09 9.38 0.00 -1.26 -3.94 121.76 127.02 3m3y s ALA 1173Ca 0.26 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 3m3y s ALA 1173Cb -0.09 -4.36 -0.21 0.00 0.00 0.00 0.00 23.12 18.46 3m3y s ALA 1173CO -0.12 -3.81 2.98 1.17 0.00 0.00 0.00 175.76 175.98 3m3y n LYS 1174N 9.16 1.69 -1.21 0.00 3.00 -0.08 -4.94 118.16 125.78 3m3y n LYS 1174Ca 0.20 -0.87 -0.38 0.00 -0.00 0.00 0.00 58.31 57.25 3m3y n LYS 1174Cb 0.50 -1.95 0.02 0.00 0.00 0.00 0.00 35.03 33.60 3m3y n LYS 1174CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3m3y n LEU 1175N 2.68 -3.82 0.00 3.14 4.77 -1.26 -2.15 117.00 120.36 3m3y n LEU 1175Ca 0.36 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 3m3y n LEU 1175Cb 0.70 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3m3y n LEU 1175CO 0.19 -4.91 0.00 -3.20 -1.33 0.00 0.00 177.39 168.13 3m3y n ASN 1176N 2.53 0.00 -0.88 -1.43 5.15 -1.26 -4.57 115.26 114.80 3m3y n ASN 1176Ca 0.06 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 54.16 3m3y n ASN 1176Cb 0.49 0.00 0.09 0.00 -0.53 0.00 0.00 39.78 39.82 3m3y n ASN 1176CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3m3y n HIS 1177N 0.00 0.00 -1.14 1.20 8.25 -0.92 -4.99 115.22 117.62 3m3y n HIS 1177Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3m3y n HIS 1177Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3m3y n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3m3y n ASN 1178N 1.16 -5.41 -4.69 0.41 4.13 -1.23 -4.98 115.26 104.66 3m3y n ASN 1178Ca 0.13 0.12 -0.40 0.00 1.68 0.00 0.00 54.58 56.10 3m3y n ASN 1178Cb 0.56 -3.32 -0.05 0.00 -1.54 0.00 0.00 39.78 35.43 3m3y n ASN 1178CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3m3y s GLN 1179N -2.16 4.36 -0.13 3.52 -0.21 -1.25 -4.97 119.66 118.82 3m3y s GLN 1179Ca 0.00 0.91 0.15 0.00 0.02 0.00 0.00 55.36 56.44 3m3y s GLN 1179Cb 0.00 -3.51 0.37 0.00 1.00 0.00 0.00 33.01 30.87 3m3y s GLN 1179CO 0.00 -0.13 1.18 1.19 -2.12 0.00 0.00 175.29 175.41 3m3y n PHE 1180N 4.50 0.00 -1.53 0.91 0.99 -1.26 -0.90 117.46 120.17 3m3y n PHE 1180Ca 0.01 -1.04 -0.57 0.00 -0.00 0.00 0.00 57.45 55.85 3m3y n PHE 1180Cb 0.50 -0.19 -0.07 0.00 -1.00 0.00 0.00 39.48 38.72 3m3y n PHE 1180CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3m3y n GLU 1181N -0.65 0.36 -3.90 -1.08 1.02 -1.25 -4.61 120.64 110.54 3m3y n GLU 1181Ca 0.14 0.13 -0.29 0.00 -0.02 0.00 0.00 57.16 57.12 3m3y n GLU 1181Cb 0.81 -1.67 -0.12 0.00 -0.02 0.00 0.00 31.44 30.43 3m3y n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3m3y n LYS 1183N 2.17 0.15 -2.80 0.00 2.85 -1.26 -1.33 118.16 117.94 3m3y n LYS 1183Ca 0.17 0.06 -0.15 0.00 -1.05 0.00 0.00 58.31 57.35 3m3y n LYS 1183Cb 0.35 -1.27 0.03 0.00 -0.65 0.00 0.00 35.03 33.48 3m3y n LYS 1183CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3m3y n GLY 1184N 2.35 -0.09 0.00 2.58 0.00 -1.26 -4.56 105.19 104.21 3m3y n GLY 1184Ca 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3m3y n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3y n ASP 1186N 0.00 -4.28 -4.60 0.00 -0.08 -0.93 -4.91 116.55 101.75 3m3y n ASP 1186Ca 0.00 0.39 -0.41 0.00 -1.51 0.00 0.00 54.79 53.26 3m3y n ASP 1186Cb 0.01 -3.88 -0.07 0.00 2.34 0.00 0.00 41.12 39.53 3m3y n ASP 1186CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3m3y s ASN 1187N -2.35 6.48 0.00 1.67 3.04 -0.44 -4.90 114.94 118.43 3m3y s ASN 1187Ca 0.00 0.40 0.00 0.00 0.04 0.00 0.00 52.86 53.30 3m3y s ASN 1187Cb 0.00 -2.32 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 3m3y s ASN 1187CO 0.00 -0.46 0.29 0.29 -3.04 0.00 0.00 177.10 174.18 3m3y n LYS 1188N 5.84 0.94 0.00 0.43 4.01 -1.26 0.14 118.16 128.26 3m3y n LYS 1188Ca -0.02 -0.29 0.00 0.00 -0.51 0.00 0.00 58.31 57.49 3m3y n LYS 1188Cb 0.49 -0.77 0.00 0.00 -0.51 0.00 0.00 35.03 34.24 3m3y n LYS 1188CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 3m3y n ILE 1189N -0.22 0.00 -2.84 -0.18 -6.64 -1.26 -4.65 119.36 103.57 3m3y n ILE 1189Ca 0.00 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.55 3m3y n ILE 1189Cb 0.04 -0.45 -0.03 0.00 -1.44 0.00 0.00 39.64 37.76 3m3y n ILE 1189CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3m3y s ASP 1190N -3.90 6.53 -0.08 7.28 3.68 -1.26 -4.95 116.67 123.96 3m3y s ASP 1190Ca 0.00 -1.75 -0.13 0.00 2.13 0.00 0.00 52.55 52.80 3m3y s ASP 1190Cb 0.00 -2.44 0.03 0.00 -1.45 0.00 0.00 42.92 39.06 3m3y s ASP 1190CO 0.00 -1.22 0.33 -0.51 0.13 0.00 0.00 175.17 173.90 3m3y s ILE 1191N 3.40 0.02 0.05 4.11 1.10 -1.26 -2.43 121.20 126.18 3m3y s ILE 1191Ca 0.34 -0.20 0.04 0.00 -0.51 0.00 0.00 60.65 60.32 3m3y s ILE 1191Cb -0.06 -0.54 -0.02 0.00 0.15 0.00 0.00 42.46 41.99 3m3y s ILE 1191CO -0.06 -0.11 -0.11 -0.31 -2.11 0.00 0.00 174.94 172.24 3m3y s TYR 1192N -0.46 0.94 -0.18 3.50 4.12 -0.87 -4.94 117.35 119.46 3m3y s TYR 1192Ca -0.06 -0.43 -0.03 0.00 0.02 0.00 0.00 57.07 56.57 3m3y s TYR 1192Cb -0.04 -0.55 -0.02 0.00 -1.52 0.00 0.00 41.96 39.84 3m3y s TYR 1192CO 0.02 -0.01 -0.05 -1.14 0.02 0.00 0.00 175.55 174.39 3m3y s GLN 1193N -1.45 3.51 0.29 -0.62 0.74 -1.26 -1.01 119.66 119.87 3m3y s GLN 1193Ca -0.04 -0.59 0.09 0.00 0.05 0.00 0.00 55.36 54.87 3m3y s GLN 1193Cb -0.09 -2.92 -0.06 0.00 1.10 0.00 0.00 33.01 31.04 3m3y s GLN 1193CO 0.01 0.05 -0.11 0.96 -0.55 0.00 0.00 175.29 175.65 3m3y s ILE 1194N 0.84 2.03 -0.32 -2.34 -0.00 -0.81 -4.99 121.20 115.61 3m3y s ILE 1194Ca -0.01 -2.22 -0.01 0.00 -0.00 0.00 0.00 60.65 58.40 3m3y s ILE 1194Cb -0.15 -2.44 0.06 0.00 -0.00 0.00 0.00 42.46 39.93 3m3y s ILE 1194CO 0.01 -0.32 0.03 -1.00 -0.00 0.00 0.00 174.94 173.67 3m3y s HIS 1195N -2.77 3.34 0.13 1.37 3.76 -1.26 -2.51 115.29 117.36 3m3y s HIS 1195Ca 0.30 -2.04 0.05 0.00 -0.15 0.00 0.00 55.06 53.22 3m3y s HIS 1195Cb 0.01 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 3m3y s HIS 1195CO 0.14 -0.84 -0.12 0.96 -0.85 0.00 0.00 174.74 174.03 3m3y s ILE 1196N 1.21 1.22 0.47 0.60 -4.36 0.27 -4.95 121.20 115.67 3m3y s ILE 1196Ca -0.02 -1.87 -0.20 0.00 -0.26 0.00 0.00 60.65 58.30 3m3y s ILE 1196Cb -0.20 -1.66 -0.14 0.00 1.25 0.00 0.00 42.46 41.71 3m3y s ILE 1196CO -0.02 -0.59 0.19 -2.65 0.24 0.00 0.00 174.94 172.11 3m3y n PRO 1197N 0.19 0.20 0.21 0.37 -0.02 -1.26 -1.60 135.00 133.08 3m3y n PRO 1197Ca -0.13 0.08 0.08 0.00 -2.02 0.00 0.00 63.50 61.51 3m3y n PRO 1197Cb 0.59 -1.22 0.39 0.00 -0.02 0.00 0.00 33.50 33.23 3m3y n PRO 1197CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3m3y h TYR 1198N 0.29 0.00 0.00 6.00 3.20 -0.84 -2.82 116.97 122.81 3m3y h TYR 1198Ca -0.40 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.37 3m3y h TYR 1198Cb 1.43 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 3m3y h TYR 1198CO 0.29 0.28 -0.45 0.00 -1.64 0.00 0.00 178.16 176.64 3m3y h ALA 1199N 1.72 1.02 0.49 1.82 0.00 -1.81 -1.48 119.26 121.01 3m3y h ALA 1199Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3m3y h ALA 1199Cb 0.84 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3m3y h ALA 1199CO 0.04 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.62 3m3y h ALA 1200N 1.55 -0.65 -0.90 0.00 0.00 -1.88 -0.32 119.26 117.05 3m3y h ALA 1200Ca -0.00 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.86 3m3y h ALA 1200Cb 0.94 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 3m3y h ALA 1200CO 0.06 -0.67 -0.36 1.17 0.00 0.00 0.00 179.25 179.45 3m3y n LYS 1201N -5.23 -0.22 0.01 0.00 0.00 -1.08 0.67 118.16 112.31 3m3y n LYS 1201Ca -0.10 1.38 -0.10 0.00 0.00 0.00 0.00 58.31 59.49 3m3y n LYS 1201Cb 0.30 -2.05 -0.04 0.00 0.00 0.00 0.00 35.03 33.25 3m3y n LYS 1201CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3m3y h LEU 1202N 0.00 -0.40 -0.66 3.14 6.46 -1.30 -1.97 115.31 120.59 3m3y h LEU 1202Ca 0.30 0.07 0.08 0.00 -0.12 0.00 0.00 57.88 58.21 3m3y h LEU 1202Cb 0.52 0.19 -0.07 0.00 -0.73 0.00 0.00 40.66 40.58 3m3y h LEU 1202CO -0.89 -0.18 0.32 0.25 -0.62 0.00 0.00 178.44 177.32 3m3y h LEU 1203N -0.17 0.41 -0.07 2.25 5.85 0.21 -0.81 115.31 122.98 3m3y h LEU 1203Ca 0.08 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3m3y h LEU 1203Cb 0.29 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3m3y h LEU 1203CO -0.20 0.25 0.01 -0.26 -0.34 0.00 0.00 178.44 177.90 3m3y h PHE 1204N 0.56 0.12 -0.78 1.25 0.05 0.24 -0.71 116.94 117.67 3m3y h PHE 1204Ca 0.32 -0.02 0.10 0.00 3.82 0.00 0.00 57.97 62.19 3m3y h PHE 1204Cb 0.31 -0.03 -0.05 0.00 2.00 0.00 0.00 35.95 38.17 3m3y h PHE 1204CO -0.11 0.33 0.51 1.96 -0.18 0.00 0.00 178.31 180.81 3m3y h GLN 1205N -0.13 0.66 -0.17 1.51 4.20 -1.00 0.64 115.11 120.82 3m3y h GLN 1205Ca 0.02 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 3m3y h GLN 1205Cb 0.28 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3m3y h GLN 1205CO 0.00 0.44 -0.47 0.93 -0.67 0.00 0.00 178.83 179.05 3m3y h GLU 1206N 0.68 0.44 -0.27 1.46 5.08 -0.90 0.54 114.58 121.61 3m3y h GLU 1206Ca 0.36 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 3m3y h GLU 1206Cb 0.49 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3m3y h GLU 1206CO -0.14 0.82 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.18 3m3y h LEU 1207N 0.35 0.74 -0.64 1.33 3.38 0.05 -2.84 115.31 117.68 3m3y h LEU 1207Ca 0.02 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.52 3m3y h LEU 1207Cb 0.96 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3m3y h LEU 1207CO 0.08 1.08 -0.18 0.24 0.09 0.00 0.00 178.44 179.75 3m3y h MET 1208N 0.55 0.88 0.00 1.13 2.86 -0.71 -1.38 114.93 118.26 3m3y h MET 1208Ca 0.04 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 3m3y h MET 1208Cb 0.99 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 3m3y h MET 1208CO 0.09 0.99 -0.05 0.00 1.06 0.00 0.00 176.91 179.00 3m3y h ALA 1209N 1.02 1.18 -0.56 6.32 0.00 -0.78 0.99 119.26 127.42 3m3y h ALA 1209Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m3y h ALA 1209Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3m3y h ALA 1209CO 0.05 0.06 0.00 -0.12 0.00 0.00 0.00 179.25 179.25 3m3y n MET 1210N -3.40 3.99 -2.46 0.00 0.00 -0.92 -4.95 117.12 109.38 3m3y n MET 1210Ca -0.02 -2.94 -0.13 0.00 0.00 0.00 0.00 57.70 54.62 3m3y n MET 1210Cb 0.18 -1.98 0.01 0.00 0.00 0.00 0.00 33.22 31.43 3m3y n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3m3y n ASN 1211N 0.72 -4.06 -4.45 6.12 2.85 0.34 -5.03 115.26 111.75 3m3y n ASN 1211Ca 0.25 -0.09 -0.31 0.00 -0.11 0.00 0.00 54.58 54.33 3m3y n ASN 1211Cb 0.97 -3.11 -0.13 0.00 1.24 0.00 0.00 39.78 38.76 3m3y n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3m3y s ILE 1212N -2.75 2.72 -0.77 -1.44 1.01 -0.57 -5.01 121.20 114.39 3m3y s ILE 1212Ca 0.09 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.49 3m3y s ILE 1212Cb -0.04 -2.15 0.19 0.00 0.01 0.00 0.00 42.46 40.47 3m3y s ILE 1212CO 0.11 0.31 0.61 0.42 0.00 0.00 0.00 174.94 176.39 3m3y s THR 1213N -0.94 3.76 -1.05 2.92 -4.23 -1.26 -3.25 115.64 111.59 3m3y s THR 1213Ca 0.15 -3.75 -0.23 0.00 -1.18 0.00 0.00 61.69 56.68 3m3y s THR 1213Cb -0.10 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.35 3m3y s THR 1213CO 0.05 -1.01 1.69 -2.16 -0.54 0.00 0.00 174.62 172.65 3m3y s PRO 1214N -1.05 3.24 0.10 3.99 0.04 -1.26 -4.94 135.00 135.12 3m3y s PRO 1214Ca 0.24 -1.02 -0.30 0.00 0.04 0.00 0.00 61.00 59.96 3m3y s PRO 1214Cb -0.10 -5.29 -0.06 0.00 0.04 0.00 0.00 34.50 29.09 3m3y s PRO 1214CO -0.11 -2.74 1.06 1.03 0.04 0.00 0.00 177.00 176.29 3m3y s ARG 1215N 5.60 4.58 -0.22 4.56 0.52 -1.26 -4.70 118.95 128.03 3m3y s ARG 1215Ca 0.56 1.59 -0.04 0.00 -0.52 0.00 0.00 55.73 57.33 3m3y s ARG 1215Cb -0.01 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 3m3y s ARG 1215CO -0.02 0.01 -0.05 -0.51 0.02 0.00 0.00 175.30 174.75 3m3y s LEU 1216N 0.35 2.87 -0.06 2.53 1.43 0.34 -5.00 118.68 121.14 3m3y s LEU 1216Ca 0.51 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3m3y s LEU 1216Cb -0.26 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3m3y s LEU 1216CO 0.31 -0.02 -0.10 -0.31 0.23 0.00 0.00 176.35 176.46 3m3y s TYR 1217N 1.46 2.83 -1.98 0.29 1.51 -1.26 -4.69 117.35 115.51 3m3y s TYR 1217Ca 0.06 -0.06 0.22 0.00 -1.01 0.00 0.00 57.07 56.28 3m3y s TYR 1217Cb -0.14 -1.67 0.56 0.00 -0.11 0.00 0.00 41.96 40.60 3m3y s TYR 1217CO -0.03 0.27 1.47 0.25 -1.11 0.00 0.00 175.55 176.40 3m3y n THR 1218N 2.23 0.88 -4.12 -0.71 -2.24 -1.26 -4.94 114.28 104.11 3m3y n THR 1218Ca -0.18 -0.94 -0.15 0.00 -2.27 0.00 0.00 64.05 60.52 3m3y n THR 1218Cb 0.53 0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 69.25 3m3y n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3m3y s ASP 1219N -1.11 0.98 0.00 3.42 -4.77 -1.26 -5.12 116.67 108.82 3m3y s ASP 1219Ca 0.44 -0.46 0.00 0.00 -3.30 0.00 0.00 52.55 49.23 3m3y s ASP 1219Cb 0.24 -0.01 0.00 0.00 -1.09 0.00 0.00 42.92 42.06 3m3y s ASP 1219CO 0.31 -0.11 0.87 0.54 0.70 0.00 0.00 175.17 177.48 3m3y n ARG 1220N 1.78 0.00 -1.45 2.11 5.12 -1.26 -4.88 116.66 118.08 3m3y n ARG 1220Ca -0.20 0.51 -0.52 0.00 -1.93 0.00 0.00 57.85 55.71 3m3y n ARG 1220Cb 0.55 -1.37 -0.05 0.00 -1.16 0.00 0.00 32.46 30.44 3m3y n ARG 1220CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3m3y n SER 1221N -1.85 -0.62 0.06 0.55 7.64 -1.26 -4.89 113.62 113.25 3m3y n SER 1221Ca 0.00 1.14 -0.11 0.00 1.01 0.00 0.00 58.87 60.91 3m3y n SER 1221Cb 0.00 -0.96 -0.05 0.00 -1.01 0.00 0.00 64.21 62.19 3m3y n SER 1221CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3m3y h ARG 1222N 1.82 -0.35 0.00 1.43 2.43 -2.07 -3.47 114.38 114.17 3m3y h ARG 1222Ca -0.37 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3m3y h ARG 1222Cb 1.43 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.06 3m3y h ARG 1222CO 0.60 -0.24 0.00 -0.25 -1.51 0.00 0.00 179.97 178.58 3m3y n ASP 1223N -5.35 0.00 0.00 -3.80 8.00 -1.26 -5.23 116.55 108.90 3m3y n ASP 1223Ca -0.05 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.47 3m3y n ASP 1223Cb 0.27 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.47 3m3y n ASP 1223CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14