#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i6h n GLU 21 N 0.00 0.66 0.02 -1.24 0.28 -1.26 -3.09 120.64 116.01 1i6h n GLU 21 Ca 0.00 0.02 0.01 0.00 -0.16 0.00 0.00 57.16 57.03 1i6h n GLU 21 Cb 0.00 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 1i6h n GLU 21 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1i6h n SER 22 N -1.12 0.67 -4.09 -1.84 7.64 -1.26 -2.18 113.62 111.44 1i6h n SER 22 Ca 0.17 0.29 -0.36 0.00 1.01 0.00 0.00 58.87 59.99 1i6h n SER 22 Cb 0.15 0.48 0.06 0.00 -1.01 0.00 0.00 64.21 63.88 1i6h n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i6h n ALA 23 N -2.40 -4.97 -1.14 -0.43 0.00 -1.18 -4.77 120.51 105.62 1i6h n ALA 23 Ca -0.11 -0.76 -0.04 0.00 0.00 0.00 0.00 53.44 52.53 1i6h n ALA 23 Cb 0.82 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 19.07 1i6h n ALA 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1i6h n PRO 24 N 1.59 -0.45 -4.32 0.00 -0.04 -1.26 -2.55 135.00 127.97 1i6h n PRO 24 Ca -0.00 -0.38 -0.28 0.00 -0.04 0.00 0.00 63.50 62.81 1i6h n PRO 24 Cb 0.58 -0.27 -0.07 0.00 -0.04 0.00 0.00 33.50 33.70 1i6h n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1i6h s ILE 25 N -1.51 1.84 0.35 0.52 1.01 -1.26 -3.19 121.20 118.95 1i6h s ILE 25 Ca 0.14 -1.78 0.06 0.00 0.00 0.00 0.00 60.65 59.07 1i6h s ILE 25 Cb -0.01 -2.62 -0.07 0.00 0.01 0.00 0.00 42.46 39.77 1i6h s ILE 25 CO 0.10 0.00 -0.00 0.42 0.00 0.00 0.00 174.94 175.46 1i6h s THR 26 N -2.72 1.71 0.00 2.92 -4.23 -1.26 -4.46 115.64 107.59 1i6h s THR 26 Ca 0.30 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1i6h s THR 26 Cb 0.03 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1i6h s THR 26 CO 0.17 -0.09 0.86 0.00 -0.54 0.00 0.00 174.62 175.02 1i6h n ALA 27 N -0.78 -0.15 -0.47 3.99 0.00 -1.26 -1.40 120.51 120.44 1i6h n ALA 27 Ca -0.04 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.77 1i6h n ALA 27 Cb 0.66 0.26 0.59 0.00 0.00 0.00 0.00 19.45 20.95 1i6h n ALA 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1i6h n GLU 28 N -2.10 -0.01 0.07 0.00 4.07 -1.26 0.15 120.64 121.55 1i6h n GLU 28 Ca 0.00 0.89 0.10 0.00 -0.06 0.00 0.00 57.16 58.09 1i6h n GLU 28 Cb 0.00 -1.92 0.42 0.00 -0.06 0.00 0.00 31.44 29.88 1i6h n GLU 28 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1i6h n ASP 29 N -3.80 0.36 0.04 4.31 8.00 -0.49 -3.18 116.55 121.79 1i6h n ASP 29 Ca 0.33 0.58 -0.08 0.00 0.71 0.00 0.00 54.79 56.33 1i6h n ASP 29 Cb 1.41 -0.66 0.07 0.00 -0.02 0.00 0.00 41.12 41.93 1i6h n ASP 29 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1i6h h SER 30 N 0.00 0.48 -0.63 -2.24 4.64 0.14 -3.13 113.55 112.81 1i6h h SER 30 Ca 0.00 -0.27 0.18 0.00 -0.47 0.00 0.00 61.79 61.23 1i6h h SER 30 Cb 0.36 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1i6h h SER 30 CO 0.00 0.97 0.46 -0.50 -0.87 0.00 0.00 176.83 176.89 1i6h h TRP 31 N 0.32 0.00 -0.17 4.77 4.06 -1.72 0.77 115.95 123.98 1i6h h TRP 31 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.91 1i6h h TRP 31 Cb 1.13 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.28 1i6h h TRP 31 CO 0.04 0.00 -0.02 0.00 -3.56 0.00 0.00 178.44 174.90 1i6h h ALA 32 N 1.66 0.23 -0.57 1.49 0.00 -1.77 0.34 119.26 120.65 1i6h h ALA 32 Ca 0.30 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1i6h h ALA 32 Cb 1.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1i6h h ALA 32 CO -0.00 -0.04 0.39 0.28 0.00 0.00 0.00 179.25 179.88 1i6h h VAL 33 N 0.03 0.84 0.02 0.00 2.07 -1.01 0.36 116.25 118.57 1i6h h VAL 33 Ca 0.04 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1i6h h VAL 33 Cb 0.43 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1i6h h VAL 33 CO 0.01 0.05 -0.01 0.40 0.02 0.00 0.00 177.57 178.04 1i6h h ILE 34 N 0.27 1.38 0.09 4.57 2.04 -0.46 -2.49 117.51 122.89 1i6h h ILE 34 Ca 0.27 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.88 1i6h h ILE 34 Cb 0.69 2.22 -0.04 0.00 -0.74 0.00 0.00 36.82 38.95 1i6h h ILE 34 CO -0.06 0.32 -0.29 0.28 0.00 0.00 0.00 178.15 178.40 1i6h h SER 35 N -0.58 -0.84 -0.95 1.72 0.02 0.23 0.24 113.55 113.38 1i6h h SER 35 Ca -0.00 0.10 0.32 0.00 -0.84 0.00 0.00 61.79 61.37 1i6h h SER 35 Cb 0.55 0.33 -0.18 0.00 0.14 0.00 0.00 62.40 63.24 1i6h h SER 35 CO 0.00 -0.37 0.22 0.00 -1.14 0.00 0.00 176.83 175.54 1i6h n ALA 36 N -2.68 0.68 0.47 3.77 0.00 0.12 -0.27 120.51 122.60 1i6h n ALA 36 Ca -0.06 1.00 -0.19 0.00 0.00 0.00 0.00 53.44 54.19 1i6h n ALA 36 Cb 0.31 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 1i6h n ALA 36 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1i6h h PHE 37 N 0.00 -1.09 -0.60 0.00 3.57 -0.09 -3.15 116.94 115.58 1i6h h PHE 37 Ca 0.67 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 62.09 1i6h h PHE 37 Cb 1.57 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 40.65 1i6h h PHE 37 CO -0.30 -0.68 0.14 0.74 -2.23 0.00 0.00 178.31 175.99 1i6h h PHE 38 N -1.23 0.97 -0.04 0.41 -1.00 0.32 0.31 116.94 116.68 1i6h h PHE 38 Ca -0.12 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.57 1i6h h PHE 38 Cb 0.91 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.19 1i6h h PHE 38 CO -0.01 0.81 0.32 0.00 -1.61 0.00 0.00 178.31 177.82 1i6h h ARG 39 N 0.89 0.00 0.00 1.51 3.08 -0.63 -0.34 114.38 118.89 1i6h h ARG 39 Ca 0.19 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 1i6h h ARG 39 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1i6h h ARG 39 CO 0.00 0.00 -1.74 -1.91 -1.07 0.00 0.00 179.97 175.25 1i6h n GLU 40 N -3.00 1.96 -0.09 0.04 2.13 -0.50 -4.82 120.64 116.36 1i6h n GLU 40 Ca -0.01 -0.02 -0.12 0.00 0.66 0.00 0.00 57.16 57.67 1i6h n GLU 40 Cb 0.38 -1.29 -0.10 0.00 0.27 0.00 0.00 31.44 30.70 1i6h n GLU 40 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1i6h n LYS 41 N -2.35 0.74 -0.10 5.31 5.02 -0.02 -5.09 118.16 121.67 1i6h n LYS 41 Ca -0.16 0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.23 1i6h n LYS 41 Cb 0.79 -1.40 -0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1i6h n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i6h n GLY 42 N 2.42 -1.77 1.13 0.72 0.00 -0.20 -3.50 105.19 103.98 1i6h n GLY 42 Ca -0.33 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.22 1i6h n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6h n LEU 43 N -2.18 3.16 -0.20 0.99 4.77 -1.26 -3.96 117.00 118.32 1i6h n LEU 43 Ca -0.00 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 1i6h n LEU 43 Cb 0.04 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1i6h n LEU 43 CO 0.00 0.44 0.21 1.33 -1.33 0.00 0.00 177.39 178.05 1i6h n VAL 44 N 0.21 0.00 -0.34 4.08 0.24 -1.26 -4.87 118.33 116.39 1i6h n VAL 44 Ca 0.13 0.00 0.28 0.00 -2.04 0.00 0.00 64.34 62.71 1i6h n VAL 44 Cb 0.69 0.60 0.53 0.00 -1.47 0.00 0.00 33.84 34.19 1i6h n VAL 44 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1i6h h SER 45 N 0.00 0.43 -0.79 -1.34 4.64 -1.68 0.18 113.55 114.98 1i6h h SER 45 Ca 0.00 0.20 0.18 0.00 -0.47 0.00 0.00 61.79 61.71 1i6h h SER 45 Cb 1.12 0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 63.24 1i6h h SER 45 CO 0.00 -0.23 0.02 0.06 -0.87 0.00 0.00 176.83 175.81 1i6h h GLN 46 N 0.20 0.10 0.00 4.77 3.07 -1.90 0.33 115.11 121.68 1i6h h GLN 46 Ca 0.78 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.51 1i6h h GLN 46 Cb 1.95 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 29.49 1i6h h GLN 46 CO -0.63 0.07 0.00 1.04 0.09 0.00 0.00 178.83 179.40 1i6h n GLN 47 N -5.35 0.00 -0.14 0.06 1.13 0.62 -2.73 117.38 110.96 1i6h n GLN 47 Ca 0.15 0.49 -0.08 0.00 -1.94 0.00 0.00 57.00 55.62 1i6h n GLN 47 Cb 0.51 -1.34 -0.06 0.00 0.11 0.00 0.00 30.24 29.46 1i6h n GLN 47 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1i6h h LEU 48 N 0.00 -1.26 -0.97 1.08 3.38 -1.44 -0.14 115.31 115.96 1i6h h LEU 48 Ca 0.00 0.17 0.31 0.00 0.09 0.00 0.00 57.88 58.45 1i6h h LEU 48 Cb 0.00 0.53 -0.17 0.00 0.09 0.00 0.00 40.66 41.11 1i6h h LEU 48 CO 0.00 -0.23 0.26 0.44 0.09 0.00 0.00 178.44 179.00 1i6h h ASP 49 N -0.18 -0.07 0.58 -0.43 5.19 -0.49 0.17 116.42 121.18 1i6h h ASP 49 Ca 0.06 0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.69 1i6h h ASP 49 Cb 0.35 0.35 0.01 0.00 0.18 0.00 0.00 39.33 40.21 1i6h h ASP 49 CO -0.45 -0.32 -0.28 -1.28 -3.12 0.00 0.00 179.24 173.79 1i6h h SER 50 N 0.08 -0.66 -0.01 6.45 0.87 -0.85 -2.83 113.55 116.59 1i6h h SER 50 Ca 0.67 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 61.21 1i6h h SER 50 Cb 1.52 0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 63.60 1i6h h SER 50 CO -0.80 -0.35 -0.48 0.15 -0.53 0.00 0.00 176.83 174.82 1i6h h PHE 51 N -0.96 -1.42 -0.98 2.24 3.57 0.13 -0.29 116.94 119.22 1i6h h PHE 51 Ca -0.08 0.05 0.30 0.00 3.53 0.00 0.00 57.97 61.77 1i6h h PHE 51 Cb 0.65 0.62 -0.15 0.00 2.79 0.00 0.00 35.95 39.87 1i6h h PHE 51 CO -0.00 -0.51 0.50 -0.91 -2.23 0.00 0.00 178.31 175.15 1i6h h ASN 52 N -0.60 0.41 -0.89 0.41 2.35 -1.23 1.17 115.58 117.20 1i6h h ASN 52 Ca 0.01 0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1i6h h ASN 52 Cb 0.65 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 39.14 1i6h h ASN 52 CO -0.33 -0.14 0.49 -0.61 -1.65 0.00 0.00 177.43 175.19 1i6h h GLN 53 N 0.30 1.24 0.00 0.81 5.75 -0.82 0.16 115.11 122.55 1i6h h GLN 53 Ca 0.70 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 59.06 1i6h h GLN 53 Cb 1.56 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1i6h h GLN 53 CO -0.62 0.90 0.00 0.34 -2.65 0.00 0.00 178.83 176.80 1i6h n PHE 54 N -4.33 0.00 0.00 3.99 7.35 0.39 -1.81 117.46 123.05 1i6h n PHE 54 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1i6h n PHE 54 Cb 0.09 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 39.73 1i6h n PHE 54 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1i6h n VAL 55 N -1.08 0.00 -0.13 -2.13 0.31 -0.47 0.06 118.33 114.89 1i6h n VAL 55 Ca 0.00 0.95 -0.09 0.00 -0.01 0.00 0.00 64.34 65.19 1i6h n VAL 55 Cb 0.00 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.60 1i6h n VAL 55 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1i6h h ASP 56 N 0.00 -1.32 0.00 4.52 3.32 -0.80 -3.30 116.42 118.83 1i6h h ASP 56 Ca 0.00 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1i6h h ASP 56 Cb 0.00 0.59 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1i6h h ASP 56 CO 0.00 -0.35 -0.13 -1.22 -1.72 0.00 0.00 179.24 175.81 1i6h n TYR 57 N -5.42 0.00 -0.27 4.55 4.02 -0.98 -4.44 117.16 114.63 1i6h n TYR 57 Ca 0.00 0.00 0.23 0.00 -0.01 0.00 0.00 57.90 58.12 1i6h n TYR 57 Cb 0.35 -0.07 0.42 0.00 -0.02 0.00 0.00 39.34 40.03 1i6h n TYR 57 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1i6h n THR 58 N -2.95 -0.34 -0.11 -0.72 -1.04 -0.74 0.29 114.28 108.67 1i6h n THR 58 Ca -0.02 1.69 -0.12 0.00 -2.04 0.00 0.00 64.05 63.56 1i6h n THR 58 Cb 0.07 -2.68 -0.03 0.00 -1.82 0.00 0.00 70.33 65.87 1i6h n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1i6h h LEU 59 N 0.00 0.68 -0.50 -4.42 5.85 -0.46 -1.95 115.31 114.52 1i6h h LEU 59 Ca 0.65 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1i6h h LEU 59 Cb 1.64 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1i6h h LEU 59 CO -0.66 0.94 0.20 -0.61 -0.34 0.00 0.00 178.44 177.96 1i6h h GLN 60 N 0.43 0.75 0.00 1.25 5.75 -0.33 -2.92 115.11 120.04 1i6h h GLN 60 Ca 0.07 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1i6h h GLN 60 Cb 0.68 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1i6h h GLN 60 CO 0.05 0.67 -0.22 -0.44 -2.65 0.00 0.00 178.83 176.23 1i6h h ASP 61 N 0.67 0.00 0.61 -0.69 5.19 -1.26 -2.52 116.42 118.42 1i6h h ASP 61 Ca 0.17 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.40 1i6h h ASP 61 Cb 0.20 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.70 1i6h h ASP 61 CO -0.01 0.22 -0.79 0.40 -3.12 0.00 0.00 179.24 175.94 1i6h h ILE 62 N 0.00 1.50 -0.05 0.35 2.04 -1.17 -2.85 117.51 117.33 1i6h h ILE 62 Ca -0.00 -2.51 -0.08 0.00 1.00 0.00 0.00 64.86 63.26 1i6h h ILE 62 Cb 0.48 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1i6h h ILE 62 CO 0.03 0.73 -0.36 0.40 0.00 0.00 0.00 178.15 178.95 1i6h h ILE 63 N 0.08 1.27 -3.69 -0.67 5.03 -1.33 -3.40 117.51 114.81 1i6h h ILE 63 Ca -0.03 -1.30 -0.68 0.00 -0.12 0.00 0.00 64.86 62.73 1i6h h ILE 63 Cb 1.39 1.64 -0.19 0.00 -3.03 0.00 0.00 36.82 36.62 1i6h h ILE 63 CO 0.12 0.38 -0.47 0.00 -0.68 0.00 0.00 178.15 177.49 1i6h n GLU 65 N 5.11 0.00 -1.28 0.00 0.28 -1.26 -4.85 120.64 118.65 1i6h n GLU 65 Ca -0.12 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.60 1i6h n GLU 65 Cb 0.49 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.50 1i6h n GLU 65 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1i6h n ASP 66 N 0.00 5.41 -0.05 -1.84 5.75 -1.26 -4.61 116.55 119.95 1i6h n ASP 66 Ca 0.00 -3.71 -0.11 0.00 -0.01 0.00 0.00 54.79 50.96 1i6h n ASP 66 Cb 0.00 -0.86 -0.06 0.00 -1.03 0.00 0.00 41.12 39.17 1i6h n ASP 66 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1i6h h SER 67 N 1.48 0.24 -4.04 -1.12 4.64 -1.92 -3.44 113.55 109.39 1i6h h SER 67 Ca 0.59 -0.25 -0.55 0.00 -0.47 0.00 0.00 61.79 61.10 1i6h h SER 67 Cb 1.84 -0.06 0.14 0.00 -0.31 0.00 0.00 62.40 64.01 1i6h h SER 67 CO 1.25 0.43 0.62 -0.89 -0.87 0.00 0.00 176.83 177.38 1i6h s THR 68 N -5.19 2.06 0.29 2.95 2.01 -1.26 -4.76 115.64 111.74 1i6h s THR 68 Ca -0.14 0.04 0.07 0.00 0.31 0.00 0.00 61.69 61.98 1i6h s THR 68 Cb 0.06 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.49 1i6h s THR 68 CO 0.71 0.00 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.82 1i6h s LEU 69 N -3.44 2.52 -0.82 4.42 1.43 -1.26 -5.02 118.68 116.50 1i6h s LEU 69 Ca 0.71 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1i6h s LEU 69 Cb -0.41 -0.70 0.35 0.00 0.03 0.00 0.00 46.19 45.45 1i6h s LEU 69 CO 0.49 -0.32 1.66 -0.38 0.23 0.00 0.00 176.35 178.03 1i6h n ILE 70 N -0.63 4.33 -0.97 -0.59 5.41 -1.26 -4.99 119.36 120.66 1i6h n ILE 70 Ca -0.05 -5.23 0.00 0.00 1.00 0.00 0.00 62.75 58.46 1i6h n ILE 70 Cb 0.63 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1i6h n ILE 70 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1i6h n ILE 90 N -0.30 -1.94 -4.81 1.39 5.41 -1.25 -5.17 119.36 112.69 1i6h n ILE 90 Ca 0.46 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.95 1i6h n ILE 90 Cb 0.32 -2.34 -0.16 0.00 -0.71 0.00 0.00 39.64 36.75 1i6h n ILE 90 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1i6h s SER 91 N 0.00 2.09 0.07 4.38 1.04 -1.03 -4.18 113.70 116.07 1i6h s SER 91 Ca 0.00 -0.34 -0.14 0.00 0.48 0.00 0.00 55.95 55.95 1i6h s SER 91 Cb 0.00 -0.56 -0.06 0.00 0.10 0.00 0.00 66.02 65.50 1i6h s SER 91 CO 0.00 0.15 0.47 -0.36 0.98 0.00 0.00 173.24 174.48 1i6h s PHE 92 N 0.02 3.68 0.00 5.02 0.40 -1.26 -0.36 117.98 125.47 1i6h s PHE 92 Ca -0.03 1.01 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1i6h s PHE 92 Cb -0.11 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.11 1i6h s PHE 92 CO 0.02 0.55 0.00 0.41 0.70 0.00 0.00 175.22 176.90 1i6h n GLY 93 N 1.34 3.12 3.72 4.36 0.00 0.96 -4.93 105.19 113.75 1i6h n GLY 93 Ca -0.10 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 1i6h n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i6h n LYS 94 N 0.00 1.08 -5.02 1.61 4.81 -1.26 -4.33 118.16 115.05 1i6h n LYS 94 Ca 0.00 0.42 -0.29 0.00 -0.87 0.00 0.00 58.31 57.57 1i6h n LYS 94 Cb 0.00 -2.52 -0.17 0.00 0.02 0.00 0.00 35.03 32.36 1i6h n LYS 94 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1i6h s ILE 95 N -1.41 1.74 0.29 3.15 2.07 -1.26 -0.91 121.20 124.87 1i6h s ILE 95 Ca 0.82 -0.85 0.09 0.00 -1.41 0.00 0.00 60.65 59.30 1i6h s ILE 95 Cb -0.38 -1.51 -0.04 0.00 0.13 0.00 0.00 42.46 40.66 1i6h s ILE 95 CO 0.41 0.49 0.08 -0.31 -1.91 0.00 0.00 174.94 173.70 1i6h s TYR 96 N 0.30 2.76 -0.11 3.50 1.51 0.29 -4.98 117.35 120.62 1i6h s TYR 96 Ca -0.13 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 55.64 1i6h s TYR 96 Cb -0.16 -1.40 0.04 0.00 -0.11 0.00 0.00 41.96 40.33 1i6h s TYR 96 CO 0.06 0.50 0.03 0.08 -1.11 0.00 0.00 175.55 175.11 1i6h s VAL 97 N -2.34 0.27 0.76 0.71 1.01 -1.26 -1.83 120.40 117.72 1i6h s VAL 97 Ca 0.34 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1i6h s VAL 97 Cb -0.05 -0.59 0.17 0.00 0.00 0.00 0.00 36.38 35.92 1i6h s VAL 97 CO 0.22 0.07 1.03 0.35 0.00 0.00 0.00 175.10 176.77 1i6h n THR 98 N 5.17 0.00 -3.00 3.92 -2.24 -0.05 -4.95 114.28 113.14 1i6h n THR 98 Ca -0.07 -0.76 -0.24 0.00 -2.27 0.00 0.00 64.05 60.71 1i6h n THR 98 Cb 0.49 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1i6h n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1i6h s LYS 99 N -5.24 3.27 -0.39 -0.78 1.02 -1.26 -4.21 119.74 112.14 1i6h s LYS 99 Ca 0.58 -0.28 -0.45 0.00 0.02 0.00 0.00 55.97 55.84 1i6h s LYS 99 Cb -0.02 -2.54 -0.19 0.00 -0.52 0.00 0.00 37.83 34.57 1i6h s LYS 99 CO 0.41 -0.16 1.59 -2.30 -0.92 0.00 0.00 175.35 173.96 1i6h n PRO 100 N -2.06 0.31 -4.01 -1.68 -0.02 -1.26 -4.11 135.00 122.18 1i6h n PRO 100 Ca -0.00 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.32 1i6h n PRO 100 Cb 0.57 -1.66 -0.02 0.00 -0.02 0.00 0.00 33.50 32.37 1i6h n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1i6h s MET 101 N 2.84 2.25 -0.31 -0.52 -1.94 -1.01 -1.16 119.30 119.45 1i6h s MET 101 Ca 1.02 -2.06 -0.00 0.00 -1.71 0.00 0.00 55.69 52.94 1i6h s MET 101 Cb -1.36 -2.02 0.13 0.00 2.01 0.00 0.00 34.83 33.59 1i6h s MET 101 CO 0.75 -0.56 0.27 0.08 -0.01 0.00 0.00 175.02 175.56 1i6h s VAL 102 N -2.77 -0.29 -0.43 -6.03 1.01 0.81 -4.52 120.40 108.17 1i6h s VAL 102 Ca 0.31 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 1i6h s VAL 102 Cb -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1i6h s VAL 102 CO 0.19 -0.58 0.89 0.21 0.00 0.00 0.00 175.10 175.81 1i6h s ASN 103 N 2.06 6.53 0.03 3.32 2.47 -1.26 -1.96 114.94 126.12 1i6h s ASN 103 Ca 0.11 0.21 0.04 0.00 0.42 0.00 0.00 52.86 53.64 1i6h s ASN 103 Cb -0.15 -2.44 -0.02 0.00 -1.45 0.00 0.00 41.25 37.19 1i6h s ASN 103 CO -0.26 -0.95 -0.13 -1.83 -3.72 0.00 0.00 177.10 170.21 1i6h s GLU 104 N 3.54 0.89 0.39 0.43 -1.05 -1.26 -4.90 118.70 116.75 1i6h s GLU 104 Ca 0.35 -0.66 -0.27 0.00 -0.15 0.00 0.00 54.97 54.24 1i6h s GLU 104 Cb -0.11 -0.87 -0.10 0.00 -0.44 0.00 0.00 34.13 32.61 1i6h s GLU 104 CO 0.23 0.22 1.41 -1.54 0.95 0.00 0.00 175.26 176.53 1i6h s SER 105 N -0.94 6.30 -0.62 0.83 1.04 -1.23 -3.60 113.70 115.48 1i6h s SER 105 Ca 0.01 2.88 -0.04 0.00 0.48 0.00 0.00 55.95 59.29 1i6h s SER 105 Cb -0.07 -2.66 -0.04 0.00 0.10 0.00 0.00 66.02 63.35 1i6h s SER 105 CO 0.01 -0.88 0.54 0.47 0.98 0.00 0.00 173.24 174.36 1i6h n ASP 106 N 0.30 -4.76 0.00 7.02 8.00 -1.26 -4.76 116.55 121.09 1i6h n ASP 106 Ca 0.02 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1i6h n ASP 106 Cb 0.41 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 1i6h n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6h n GLY 107 N -1.34 0.47 2.29 0.44 0.00 -1.24 -5.14 105.19 100.68 1i6h n GLY 107 Ca -0.04 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 1i6h n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1i6h n VAL 108 N -1.21 0.00 -3.98 1.61 0.31 -1.26 -4.73 118.33 109.07 1i6h n VAL 108 Ca 0.00 -0.30 -0.35 0.00 -0.01 0.00 0.00 64.34 63.68 1i6h n VAL 108 Cb 0.00 -1.13 -0.09 0.00 -0.91 0.00 0.00 33.84 31.71 1i6h n VAL 108 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1i6h s THR 109 N -2.28 4.93 0.14 2.52 2.01 -1.26 -4.23 115.64 117.48 1i6h s THR 109 Ca 0.47 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.55 1i6h s THR 109 Cb -0.05 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1i6h s THR 109 CO 0.36 0.49 -0.07 -2.28 -0.69 0.00 0.00 174.62 172.43 1i6h s HIS 110 N 0.08 2.74 -0.33 4.92 5.04 -0.83 -4.87 115.29 122.04 1i6h s HIS 110 Ca 0.06 -0.17 -0.29 0.00 -1.54 0.00 0.00 55.06 53.13 1i6h s HIS 110 Cb -0.12 -1.38 0.00 0.00 0.04 0.00 0.00 32.58 31.13 1i6h s HIS 110 CO 0.00 0.48 1.33 0.00 -2.34 0.00 0.00 174.74 174.21 1i6h s ALA 111 N -1.50 3.27 -0.08 1.58 0.00 -1.26 -0.14 121.76 123.64 1i6h s ALA 111 Ca 0.24 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 1i6h s ALA 111 Cb -0.10 -3.82 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 1i6h s ALA 111 CO 0.16 -1.95 0.44 -1.17 0.00 0.00 0.00 175.76 173.23 1i6h s LEU 112 N 4.66 4.34 0.23 0.00 2.96 -0.31 -4.94 118.68 125.61 1i6h s LEU 112 Ca 0.57 0.84 0.08 0.00 -0.22 0.00 0.00 54.13 55.41 1i6h s LEU 112 Cb -0.16 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 1i6h s LEU 112 CO 0.26 0.12 0.02 -0.31 -1.32 0.00 0.00 176.35 175.12 1i6h s TYR 113 N 0.05 2.80 0.27 5.38 1.51 -1.26 -4.68 117.35 121.43 1i6h s TYR 113 Ca 0.24 -0.18 -0.00 0.00 -1.01 0.00 0.00 57.07 56.12 1i6h s TYR 113 Cb -0.15 -1.29 0.49 0.00 -0.11 0.00 0.00 41.96 40.90 1i6h s TYR 113 CO 0.11 0.57 1.85 -1.00 -1.11 0.00 0.00 175.55 175.96 1i6h h PRO 114 N 2.16 1.00 0.75 -1.71 0.13 -1.99 -1.81 132.00 130.53 1i6h h PRO 114 Ca -0.46 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 1i6h h PRO 114 Cb 1.23 -0.23 0.01 0.00 0.13 0.00 0.00 31.00 32.14 1i6h h PRO 114 CO 0.59 0.66 -0.36 0.37 -0.23 0.00 0.00 178.00 179.03 1i6h h GLN 115 N 1.03 -0.97 -0.64 0.86 5.75 -1.90 0.21 115.11 119.45 1i6h h GLN 115 Ca 0.47 0.07 0.13 0.00 -0.15 0.00 0.00 58.65 59.17 1i6h h GLN 115 Cb 0.38 0.22 -0.12 0.00 1.07 0.00 0.00 27.48 29.03 1i6h h GLN 115 CO -0.24 -0.64 -0.09 1.49 -2.65 0.00 0.00 178.83 176.70 1i6h h GLU 116 N -1.03 0.05 -0.38 1.69 4.81 -1.89 0.50 114.58 118.33 1i6h h GLU 116 Ca -0.10 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1i6h h GLU 116 Cb 0.77 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.05 1i6h h GLU 116 CO 0.17 0.03 -0.22 0.00 -0.73 0.00 0.00 179.01 178.26 1i6h h ALA 117 N 1.62 0.02 -0.70 2.92 0.00 -1.10 0.60 119.26 122.61 1i6h h ALA 117 Ca 0.33 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1i6h h ALA 117 Cb 0.52 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1i6h h ALA 117 CO -0.62 -0.60 0.19 0.00 0.00 0.00 0.00 179.25 178.22 1i6h h ARG 118 N -0.17 1.12 -0.23 0.00 3.08 0.17 0.17 114.38 118.52 1i6h h ARG 118 Ca 0.18 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1i6h h ARG 118 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1i6h h ARG 118 CO -0.47 0.97 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.01 1i6h h LEU 119 N 1.05 0.68 -1.56 3.04 3.38 0.12 -3.23 115.31 118.79 1i6h h LEU 119 Ca 0.22 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1i6h h LEU 119 Cb 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1i6h h LEU 119 CO -0.00 1.05 0.00 0.54 0.09 0.00 0.00 178.44 180.12 1i6h n ARG 120 N -4.29 1.98 -3.67 1.13 1.74 0.20 -4.92 116.66 108.83 1i6h n ARG 120 Ca -0.05 -1.52 -0.25 0.00 -0.77 0.00 0.00 57.85 55.26 1i6h n ARG 120 Cb 0.48 -1.34 0.06 0.00 -1.02 0.00 0.00 32.46 30.64 1i6h n ARG 120 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1i6h n ASN 121 N 0.74 -5.32 -4.97 0.55 5.03 -0.44 -4.70 115.26 106.15 1i6h n ASN 121 Ca 0.15 -0.62 -0.22 0.00 0.87 0.00 0.00 54.58 54.76 1i6h n ASN 121 Cb 0.37 -4.70 0.03 0.00 -1.02 0.00 0.00 39.78 34.45 1i6h n ASN 121 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1i6h s LEU 122 N -7.19 3.43 -0.44 3.41 1.43 0.47 -3.62 118.68 116.17 1i6h s LEU 122 Ca 0.52 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.63 1i6h s LEU 122 Cb -0.24 -2.96 0.11 0.00 0.03 0.00 0.00 46.19 43.13 1i6h s LEU 122 CO 0.76 -0.96 0.29 -0.89 0.23 0.00 0.00 176.35 175.78 1i6h s THR 123 N -2.66 3.91 -0.82 5.49 2.01 -1.26 -0.82 115.64 121.49 1i6h s THR 123 Ca 0.54 -1.83 -0.19 0.00 0.31 0.00 0.00 61.69 60.52 1i6h s THR 123 Cb -0.10 -3.58 -0.20 0.00 0.01 0.00 0.00 72.50 68.63 1i6h s THR 123 CO 0.38 -0.72 2.15 0.00 -0.69 0.00 0.00 174.62 175.74 1i6h n TYR 124 N 4.81 0.67 -4.37 4.92 9.36 0.28 -4.83 117.16 128.00 1i6h n TYR 124 Ca -0.06 -0.04 -0.19 0.00 3.32 0.00 0.00 57.90 60.93 1i6h n TYR 124 Cb 0.41 -1.81 -0.10 0.00 -0.63 0.00 0.00 39.34 37.21 1i6h n TYR 124 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1i6h s SER 125 N 6.33 2.22 0.27 2.98 1.04 -1.26 -1.37 113.70 123.91 1i6h s SER 125 Ca 0.92 -1.21 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1i6h s SER 125 Cb -0.31 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.69 1i6h s SER 125 CO 0.23 -0.45 0.01 -0.94 0.98 0.00 0.00 173.24 173.07 1i6h s SER 126 N -3.37 2.12 0.08 7.02 1.04 -1.09 -2.39 113.70 117.11 1i6h s SER 126 Ca 0.29 -1.27 -0.31 0.00 0.48 0.00 0.00 55.95 55.15 1i6h s SER 126 Cb 0.05 -0.04 -0.09 0.00 0.10 0.00 0.00 66.02 66.04 1i6h s SER 126 CO 0.10 -0.52 1.73 -0.83 0.98 0.00 0.00 173.24 174.70 1i6h s GLY 127 N -3.38 1.48 -0.70 7.32 0.00 -1.26 -2.48 107.32 108.31 1i6h s GLY 127 Ca 0.31 1.27 -0.03 0.00 0.00 0.00 0.00 44.72 46.27 1i6h s GLY 127 CO 0.11 3.01 0.53 -2.27 0.00 0.00 0.00 173.10 174.49 1i6h s LEU 128 N 2.88 5.39 -0.12 0.66 2.96 -1.16 -0.87 118.68 128.42 1i6h s LEU 128 Ca 0.77 -3.05 -0.11 0.00 -0.22 0.00 0.00 54.13 51.52 1i6h s LEU 128 Cb -0.41 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1i6h s LEU 128 CO 0.34 -0.33 0.23 -0.36 -1.32 0.00 0.00 176.35 174.90 1i6h s PHE 129 N -0.36 3.55 0.40 5.38 0.40 -0.76 -1.12 117.98 125.48 1i6h s PHE 129 Ca 0.19 0.60 0.08 0.00 -0.60 0.00 0.00 56.93 57.20 1i6h s PHE 129 Cb -0.17 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1i6h s PHE 129 CO -0.06 0.51 0.32 0.08 0.70 0.00 0.00 175.22 176.77 1i6h s VAL 130 N -0.39 2.68 -0.52 -0.44 1.01 0.11 0.10 120.40 122.95 1i6h s VAL 130 Ca 0.16 -1.43 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1i6h s VAL 130 Cb -0.13 -3.01 0.13 0.00 0.00 0.00 0.00 36.38 33.37 1i6h s VAL 130 CO 0.05 -0.02 0.26 -0.62 0.00 0.00 0.00 175.10 174.77 1i6h s ASP 131 N -4.06 4.27 0.12 3.32 -1.08 -0.09 -1.73 116.67 117.41 1i6h s ASP 131 Ca 0.46 -3.01 -0.19 0.00 -0.52 0.00 0.00 52.55 49.28 1i6h s ASP 131 Cb -0.02 -1.59 -0.07 0.00 -1.46 0.00 0.00 42.92 39.78 1i6h s ASP 131 CO 0.26 -0.23 0.61 -0.69 0.52 0.00 0.00 175.17 175.65 1i6h s VAL 132 N -0.28 4.69 -0.07 1.11 1.01 -1.26 0.32 120.40 125.92 1i6h s VAL 132 Ca 0.17 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.39 1i6h s VAL 132 Cb -0.25 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1i6h s VAL 132 CO -0.00 0.45 -0.13 -0.54 0.00 0.00 0.00 175.10 174.87 1i6h s LYS 133 N -1.39 2.75 0.00 2.72 1.02 0.51 -4.93 119.74 120.43 1i6h s LYS 133 Ca 0.33 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1i6h s LYS 133 Cb -0.19 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1i6h s LYS 133 CO 0.20 0.53 0.00 0.36 -0.92 0.00 0.00 175.35 175.52 1i6h n LYS 134 N 2.60 2.45 0.00 1.68 2.85 -1.26 -2.46 118.16 124.02 1i6h n LYS 134 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1i6h n LYS 134 Cb 0.52 -0.88 0.00 0.00 -0.65 0.00 0.00 35.03 34.02 1i6h n LYS 134 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1i6h n LYS 164 N -1.76 0.00 -3.95 -1.58 4.81 -1.12 -5.02 118.16 109.54 1i6h n LYS 164 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 1i6h n LYS 164 Cb 0.38 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.35 1i6h n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1i6h s VAL 165 N 0.00 5.08 0.29 3.15 1.01 -0.71 -4.94 120.40 124.28 1i6h s VAL 165 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 1i6h s VAL 165 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 1i6h s VAL 165 CO 0.00 0.52 0.92 0.12 0.00 0.00 0.00 175.10 176.66 1i6h s PHE 166 N -0.16 3.78 -0.27 5.22 5.36 -1.26 0.05 117.98 130.70 1i6h s PHE 166 Ca 0.09 1.79 -0.01 0.00 -0.96 0.00 0.00 56.93 57.84 1i6h s PHE 166 Cb -0.12 -2.91 0.13 0.00 -0.34 0.00 0.00 43.02 39.78 1i6h s PHE 166 CO 0.01 0.30 0.32 0.42 -1.46 0.00 0.00 175.22 174.81 1i6h s ILE 167 N -1.48 -0.48 0.00 3.12 1.01 -0.28 -4.88 121.20 118.22 1i6h s ILE 167 Ca 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1i6h s ILE 167 Cb -0.21 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1i6h s ILE 167 CO 0.26 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1i6h n GLY 168 N 5.33 0.00 3.13 6.18 0.00 -1.23 -4.17 105.19 114.43 1i6h n GLY 168 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1i6h n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i6h s ARG 169 N -0.14 1.26 -0.39 1.61 0.52 -1.26 -2.99 118.95 117.56 1i6h s ARG 169 Ca 0.00 -0.54 -0.11 0.00 -0.52 0.00 0.00 55.73 54.55 1i6h s ARG 169 Cb 0.00 -1.21 0.04 0.00 0.52 0.00 0.00 34.95 34.30 1i6h s ARG 169 CO 0.00 0.32 0.23 -1.17 0.02 0.00 0.00 175.30 174.70 1i6h s LEU 170 N -0.33 4.87 0.02 2.53 2.96 -1.03 -4.44 118.68 123.25 1i6h s LEU 170 Ca 0.05 -1.11 -0.35 0.00 -0.22 0.00 0.00 54.13 52.50 1i6h s LEU 170 Cb -0.06 -2.03 -0.14 0.00 0.50 0.00 0.00 46.19 44.46 1i6h s LEU 170 CO -0.00 -0.43 1.66 -0.81 -1.32 0.00 0.00 176.35 175.44 1i6h n PRO 171 N 5.00 1.88 -3.22 0.98 -0.04 -1.26 -2.66 135.00 135.68 1i6h n PRO 171 Ca -0.11 0.68 -0.39 0.00 -0.04 0.00 0.00 63.50 63.64 1i6h n PRO 171 Cb 0.45 -2.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.41 1i6h n PRO 171 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1i6h s ILE 172 N 2.17 5.03 -0.11 0.52 1.01 -0.47 -4.94 121.20 124.41 1i6h s ILE 172 Ca 0.86 1.17 -0.30 0.00 0.00 0.00 0.00 60.65 62.39 1i6h s ILE 172 Cb -0.77 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 37.76 1i6h s ILE 172 CO 0.47 0.36 1.37 -0.32 0.00 0.00 0.00 174.94 176.82 1i6h s MET 173 N 0.24 4.24 -0.82 2.79 -2.45 -1.26 -4.56 119.30 117.47 1i6h s MET 173 Ca 0.30 1.83 -0.21 0.00 -1.25 0.00 0.00 55.69 56.36 1i6h s MET 173 Cb -0.17 -3.78 -0.19 0.00 1.25 0.00 0.00 34.83 31.94 1i6h s MET 173 CO 0.15 -0.70 1.86 -0.11 1.05 0.00 0.00 175.02 177.26 1i6h n LEU 174 N 6.45 0.60 0.00 4.11 7.94 -0.50 -1.43 117.00 134.17 1i6h n LEU 174 Ca 0.14 -2.22 0.00 0.00 -1.11 0.00 0.00 56.01 52.83 1i6h n LEU 174 Cb 0.44 -1.45 0.00 0.00 0.53 0.00 0.00 43.42 42.94 1i6h n LEU 174 CO 0.58 -3.19 0.00 -1.14 -1.11 0.00 0.00 177.39 172.52 1i6h n ARG 175 N 7.34 0.00 -1.86 1.96 3.00 -1.26 -4.13 116.66 121.70 1i6h n ARG 175 Ca 0.32 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.88 1i6h n ARG 175 Cb 0.47 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.04 1i6h n ARG 175 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1i6h s SER 176 N -0.22 4.24 0.56 6.15 1.04 -0.51 -4.62 113.70 120.34 1i6h s SER 176 Ca 0.00 0.74 0.36 0.00 0.48 0.00 0.00 55.95 57.53 1i6h s SER 176 Cb 0.00 -1.19 1.48 0.00 0.10 0.00 0.00 66.02 66.40 1i6h s SER 176 CO 0.00 -2.07 1.73 0.11 0.98 0.00 0.00 173.24 173.99 1i6h h LYS 177 N -1.17 0.00 0.00 4.02 1.57 -1.95 -2.40 116.57 116.63 1i6h h LYS 177 Ca -0.46 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1i6h h LYS 177 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 1i6h h LYS 177 CO 0.62 0.00 -0.03 -0.91 -0.57 0.00 0.00 179.45 178.57 1i6h h ASN 178 N 0.00 0.00 -1.29 0.86 4.21 -1.90 -3.47 115.58 113.99 1i6h h ASN 178 Ca 0.53 -0.70 -0.76 0.00 1.21 0.00 0.00 56.30 56.59 1i6h h ASN 178 Cb 2.33 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 39.58 1i6h h ASN 178 CO -0.01 0.86 0.33 0.00 -1.29 0.00 0.00 177.43 177.33 1i6h h TYR 180 N 4.11 0.00 -0.15 0.00 -1.99 -1.90 0.12 116.97 117.16 1i6h h TYR 180 Ca -0.49 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.15 1i6h h TYR 180 Cb 1.38 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.10 1i6h h TYR 180 CO 0.61 0.00 -0.31 -0.07 -0.00 0.00 0.00 178.16 178.39 1i6h h LEU 181 N 0.00 0.29 -1.07 3.88 3.38 -1.91 -2.96 115.31 116.93 1i6h h LEU 181 Ca 0.01 -0.10 0.35 0.00 0.09 0.00 0.00 57.88 58.23 1i6h h LEU 181 Cb 0.24 -0.08 -0.15 0.00 0.09 0.00 0.00 40.66 40.76 1i6h h LEU 181 CO -0.00 0.60 0.61 0.77 0.09 0.00 0.00 178.44 180.50 1i6h h SER 182 N 0.25 0.44 0.00 -0.43 4.64 -1.18 -1.52 113.55 115.76 1i6h h SER 182 Ca 0.03 0.19 -0.22 0.00 -0.47 0.00 0.00 61.79 61.33 1i6h h SER 182 Cb 0.68 0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.88 1i6h h SER 182 CO 0.05 -0.19 -2.14 -0.62 -0.87 0.00 0.00 176.83 173.06 1i6h n GLU 183 N -5.02 0.86 -1.41 4.77 1.02 -1.21 -5.02 120.64 114.63 1i6h n GLU 183 Ca 0.33 -0.07 -0.47 0.00 -0.02 0.00 0.00 57.16 56.93 1i6h n GLU 183 Cb 1.09 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 1i6h n GLU 183 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i6h n ALA 184 N -2.51 -2.65 -2.67 0.62 0.00 -0.57 -4.98 120.51 107.74 1i6h n ALA 184 Ca -0.21 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 1i6h n ALA 184 Cb 0.90 -1.64 0.10 0.00 0.00 0.00 0.00 19.45 18.81 1i6h n ALA 184 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1i6h n THR 185 N -0.05 0.00 0.24 0.00 -2.24 -1.26 -4.84 114.28 106.13 1i6h n THR 185 Ca 0.17 -1.55 -0.10 0.00 -2.27 0.00 0.00 64.05 60.30 1i6h n THR 185 Cb 0.27 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.60 1i6h n THR 185 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1i6h h GLU 186 N 0.00 -0.60 -1.24 -0.78 4.81 -1.99 0.35 114.58 115.13 1i6h h GLU 186 Ca -0.30 0.04 0.36 0.00 -0.13 0.00 0.00 59.36 59.33 1i6h h GLU 186 Cb 1.16 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 30.60 1i6h h GLU 186 CO 0.34 -0.40 0.85 0.66 -0.73 0.00 0.00 179.01 179.73 1i6h h SER 187 N -0.67 0.18 -0.31 1.04 4.64 -2.01 0.47 113.55 116.89 1i6h h SER 187 Ca -0.06 0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1i6h h SER 187 Cb 0.48 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1i6h h SER 187 CO 0.10 -0.01 -0.45 0.44 -0.87 0.00 0.00 176.83 176.05 1i6h h ASP 188 N 0.14 0.93 0.68 4.97 3.32 -1.78 -3.09 116.42 121.60 1i6h h ASP 188 Ca 0.66 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1i6h h ASP 188 Cb 2.23 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 41.52 1i6h h ASP 188 CO -0.17 1.26 -0.33 -0.07 -1.72 0.00 0.00 179.24 178.21 1i6h h LEU 189 N 0.63 -0.77 -0.58 1.55 3.38 0.40 -2.16 115.31 117.76 1i6h h LEU 189 Ca 0.03 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.09 1i6h h LEU 189 Cb 1.05 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 1i6h h LEU 189 CO 0.10 -0.52 -0.50 1.88 0.09 0.00 0.00 178.44 179.50 1i6h h TYR 190 N -0.97 -1.50 -0.92 1.13 -1.99 -1.55 0.74 116.97 111.91 1i6h h TYR 190 Ca -0.09 0.09 0.27 0.00 2.00 0.00 0.00 58.73 60.99 1i6h h TYR 190 Cb 0.72 0.74 -0.04 0.00 2.00 0.00 0.00 36.73 40.15 1i6h h TYR 190 CO -0.02 -0.44 0.71 0.87 -0.00 0.00 0.00 178.16 179.29 1i6h h LYS 191 N -0.26 0.00 -0.01 4.88 1.57 -1.44 1.71 116.57 123.03 1i6h h LYS 191 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1i6h h LYS 191 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1i6h h LYS 191 CO -0.69 0.00 -0.04 1.28 -0.57 0.00 0.00 179.45 179.43 1i6h n LEU 192 N -4.08 1.05 -1.90 2.94 4.77 0.25 -4.89 117.00 115.13 1i6h n LEU 192 Ca 0.19 -0.32 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 1i6h n LEU 192 Cb 1.03 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 42.10 1i6h n LEU 192 CO 0.37 0.18 -0.10 0.29 -1.33 0.00 0.00 177.39 176.80 1i6h n LYS 193 N -0.26 -2.26 -4.10 3.23 5.02 0.58 -4.59 118.16 115.79 1i6h n LYS 193 Ca 0.19 0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 56.82 1i6h n LYS 193 Cb 0.30 -4.97 -0.16 0.00 -0.02 0.00 0.00 35.03 30.18 1i6h n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1i6h s GLU 194 N -5.02 2.91 0.24 1.97 0.41 -0.90 -4.87 118.70 113.43 1i6h s GLU 194 Ca 0.10 -0.89 -0.31 0.00 -0.41 0.00 0.00 54.97 53.46 1i6h s GLU 194 Cb -0.05 -2.64 -0.13 0.00 -1.78 0.00 0.00 34.13 29.53 1i6h s GLU 194 CO 0.13 -0.26 1.42 0.00 -0.49 0.00 0.00 175.26 176.06 1i6h n PRO 196 N 2.11 0.32 -0.01 0.00 -0.04 -1.26 -1.80 135.00 134.32 1i6h n PRO 196 Ca 0.12 0.09 0.03 0.00 -0.04 0.00 0.00 63.50 63.70 1i6h n PRO 196 Cb 0.31 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 1i6h n PRO 196 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1i6h n PHE 197 N -1.24 0.35 -1.65 0.54 3.01 -1.26 -4.93 117.46 112.28 1i6h n PHE 197 Ca 0.10 0.11 -0.45 0.00 1.01 0.00 0.00 57.45 58.22 1i6h n PHE 197 Cb 0.14 -0.82 -0.02 0.00 -0.01 0.00 0.00 39.48 38.76 1i6h n PHE 197 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1i6h n ASP 198 N -2.58 2.32 -0.00 4.37 2.03 -0.74 -4.86 116.55 117.08 1i6h n ASP 198 Ca -0.12 1.16 0.08 0.00 0.52 0.00 0.00 54.79 56.43 1i6h n ASP 198 Cb 0.78 -1.38 -0.12 0.00 -0.72 0.00 0.00 41.12 39.67 1i6h n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1i6h n MET 199 N 1.55 0.90 -0.57 -0.67 0.00 -1.26 -5.01 117.12 112.05 1i6h n MET 199 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1i6h n MET 199 Cb 0.31 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 32.17 1i6h n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1i6h n GLY 200 N 1.47 0.00 0.54 3.17 0.00 -1.26 -4.95 105.19 104.16 1i6h n GLY 200 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 1i6h n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6h n GLY 201 N 1.03 0.73 3.81 -0.02 0.00 -1.26 -4.50 105.19 104.98 1i6h n GLY 201 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1i6h n GLY 201 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i6h s TYR 202 N 0.00 1.87 0.44 1.61 -0.85 -1.26 -4.75 117.35 114.41 1i6h s TYR 202 Ca 0.01 -0.86 0.07 0.00 -0.52 0.00 0.00 57.07 55.77 1i6h s TYR 202 Cb 0.01 -1.77 -0.02 0.00 0.38 0.00 0.00 41.96 40.55 1i6h s TYR 202 CO -0.00 -0.05 0.30 -0.06 -1.52 0.00 0.00 175.55 174.21 1i6h s PHE 203 N -2.80 2.48 -0.48 -3.49 0.40 0.60 -1.41 117.98 113.29 1i6h s PHE 203 Ca 0.21 -0.60 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1i6h s PHE 203 Cb 0.01 -2.04 0.14 0.00 0.51 0.00 0.00 43.02 41.64 1i6h s PHE 203 CO 0.13 -0.05 0.26 0.42 0.70 0.00 0.00 175.22 176.68 1i6h s ILE 204 N -2.58 1.75 -0.26 0.64 1.01 -1.26 -1.38 121.20 119.12 1i6h s ILE 204 Ca 0.42 -2.86 -0.09 0.00 0.00 0.00 0.00 60.65 58.13 1i6h s ILE 204 Cb -0.00 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1i6h s ILE 204 CO 0.24 -0.89 0.12 -0.63 0.00 0.00 0.00 174.94 173.78 1i6h s ILE 205 N 0.07 4.81 -1.62 2.92 1.09 -0.88 -0.55 121.20 127.03 1i6h s ILE 205 Ca 0.19 -0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.73 1i6h s ILE 205 Cb -0.22 -3.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 1i6h s ILE 205 CO -0.02 0.31 0.00 0.59 -0.10 0.00 0.00 174.94 175.73 1i6h n ASN 206 N 4.83 -5.25 0.00 3.58 3.02 -1.06 -0.89 115.26 119.48 1i6h n ASN 206 Ca -0.15 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1i6h n ASN 206 Cb 0.52 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 1i6h n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i6h n GLY 207 N -0.86 2.38 3.64 7.41 0.00 -0.00 -4.40 105.19 113.36 1i6h n GLY 207 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1i6h n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i6h s SER 208 N -3.42 6.30 -0.36 1.61 1.04 -0.07 -4.62 113.70 114.19 1i6h s SER 208 Ca 0.00 0.34 -0.28 0.00 0.48 0.00 0.00 55.95 56.49 1i6h s SER 208 Cb 0.00 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1i6h s SER 208 CO 0.00 -0.09 1.80 -1.61 0.98 0.00 0.00 173.24 174.31 1i6h s GLU 209 N 1.56 3.27 -0.09 4.02 2.02 -1.26 -2.07 118.70 126.16 1i6h s GLU 209 Ca 0.15 1.34 -0.02 0.00 0.02 0.00 0.00 54.97 56.46 1i6h s GLU 209 Cb -0.15 -4.21 -0.03 0.00 0.10 0.00 0.00 34.13 29.84 1i6h s GLU 209 CO 0.08 -1.93 0.01 0.15 0.02 0.00 0.00 175.26 173.59 1i6h s LYS 210 N 5.77 3.05 -0.03 1.61 -0.14 -0.48 0.06 119.74 129.58 1i6h s LYS 210 Ca 0.78 -0.39 0.02 0.00 -1.36 0.00 0.00 55.97 55.02 1i6h s LYS 210 Cb -0.21 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 1i6h s LYS 210 CO 0.32 0.69 -0.08 0.08 -0.76 0.00 0.00 175.35 175.60 1i6h s VAL 211 N -0.83 3.59 -0.48 3.17 1.01 0.69 -0.29 120.40 127.27 1i6h s VAL 211 Ca 0.13 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1i6h s VAL 211 Cb -0.11 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.81 1i6h s VAL 211 CO 0.02 0.50 0.55 -0.76 0.00 0.00 0.00 175.10 175.42 1i6h s LEU 212 N -1.08 5.00 -0.22 3.92 1.43 -1.26 -1.21 118.68 125.25 1i6h s LEU 212 Ca 0.14 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 1i6h s LEU 212 Cb -0.11 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1i6h s LEU 212 CO 0.04 -0.77 1.70 -0.63 0.23 0.00 0.00 176.35 176.91 1i6h s ILE 213 N 2.38 3.58 0.14 -0.59 -1.09 -1.26 -4.68 121.20 119.68 1i6h s ILE 213 Ca 0.13 0.65 -0.34 0.00 -2.23 0.00 0.00 60.65 58.86 1i6h s ILE 213 Cb -0.19 -3.62 -0.16 0.00 -1.58 0.00 0.00 42.46 36.91 1i6h s ILE 213 CO 0.12 -0.28 1.18 0.00 -1.23 0.00 0.00 174.94 174.74 1i6h n ALA 214 N 8.84 -1.12 -3.03 9.38 0.00 -1.21 -4.76 120.51 128.61 1i6h n ALA 214 Ca 0.20 0.49 -0.37 0.00 0.00 0.00 0.00 53.44 53.76 1i6h n ALA 214 Cb 0.45 -2.01 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 1i6h n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1i6h s GLN 215 N -0.13 3.60 -0.13 0.00 -1.52 0.29 -1.28 119.66 120.50 1i6h s GLN 215 Ca 0.77 -0.52 -0.19 0.00 -1.95 0.00 0.00 55.36 53.48 1i6h s GLN 215 Cb -0.91 -3.37 -0.04 0.00 -0.22 0.00 0.00 33.01 28.47 1i6h s GLN 215 CO 0.51 -0.23 0.50 -2.00 -0.25 0.00 0.00 175.29 173.83 1i6h s GLU 216 N 1.61 4.33 0.17 2.91 2.12 -0.04 0.15 118.70 129.96 1i6h s GLU 216 Ca 0.06 0.48 -0.06 0.00 0.36 0.00 0.00 54.97 55.81 1i6h s GLU 216 Cb -0.15 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 1i6h s GLU 216 CO 0.04 0.11 0.23 -0.98 -0.54 0.00 0.00 175.26 174.12 1i6h s ARG 217 N 0.78 1.17 0.33 4.30 1.70 -0.19 -4.48 118.95 122.56 1i6h s ARG 217 Ca 0.27 -1.33 -0.26 0.00 -0.47 0.00 0.00 55.73 53.94 1i6h s ARG 217 Cb -0.15 0.34 -0.10 0.00 -0.57 0.00 0.00 34.95 34.47 1i6h s ARG 217 CO 0.11 -0.41 0.95 0.45 -1.08 0.00 0.00 175.30 175.32 1i6h s SER 218 N -3.03 7.31 0.74 -2.89 0.15 -1.26 0.12 113.70 114.84 1i6h s SER 218 Ca 0.23 1.84 -0.13 0.00 0.70 0.00 0.00 55.95 58.60 1i6h s SER 218 Cb 0.04 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.82 1i6h s SER 218 CO 0.04 -0.09 1.12 0.00 1.20 0.00 0.00 173.24 175.51 1i6h s ALA 219 N -1.63 2.22 0.45 5.45 0.00 -0.31 -4.62 121.76 123.32 1i6h s ALA 219 Ca 0.51 0.50 0.08 0.00 0.00 0.00 0.00 51.96 53.05 1i6h s ALA 219 Cb -0.19 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1i6h s ALA 219 CO 0.24 -1.73 0.58 0.20 0.00 0.00 0.00 175.76 175.05 1i6h s GLY 220 N -2.81 1.95 -0.97 0.00 0.00 -1.26 -4.67 107.32 99.56 1i6h s GLY 220 Ca 0.66 -1.77 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 1i6h s GLY 220 CO 0.49 -1.56 0.83 0.70 0.00 0.00 0.00 173.10 173.56 1i6h n ASN 221 N -1.87 -3.66 -3.90 1.64 3.02 1.31 -4.94 115.26 106.86 1i6h n ASN 221 Ca 0.08 -0.44 -0.22 0.00 -0.03 0.00 0.00 54.58 53.98 1i6h n ASN 221 Cb 0.60 -3.98 -0.17 0.00 -0.61 0.00 0.00 39.78 35.63 1i6h n ASN 221 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1i6h s ILE 222 N -3.26 0.64 0.07 2.41 1.01 -1.26 -4.61 121.20 116.20 1i6h s ILE 222 Ca 0.22 -0.16 -0.31 0.00 0.00 0.00 0.00 60.65 60.41 1i6h s ILE 222 Cb -0.10 -0.67 -0.06 0.00 0.01 0.00 0.00 42.46 41.64 1i6h s ILE 222 CO 0.55 0.26 1.26 -0.69 0.00 0.00 0.00 174.94 176.32 1i6h s VAL 223 N 1.09 3.82 -0.13 2.92 1.01 -1.26 -4.19 120.40 123.66 1i6h s VAL 223 Ca -0.08 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 1i6h s VAL 223 Cb -0.14 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.46 1i6h s VAL 223 CO -0.01 0.10 0.08 -1.10 0.00 0.00 0.00 175.10 174.17 1i6h s GLN 224 N 1.13 0.02 0.16 2.72 -0.21 -0.80 -4.97 119.66 117.72 1i6h s GLN 224 Ca 0.60 0.05 -0.26 0.00 0.02 0.00 0.00 55.36 55.77 1i6h s GLN 224 Cb -0.31 -1.46 -0.08 0.00 1.00 0.00 0.00 33.01 32.15 1i6h s GLN 224 CO 0.29 -0.58 0.81 0.08 -2.12 0.00 0.00 175.29 173.78 1i6h s VAL 225 N 2.15 4.35 -0.15 1.09 1.01 -1.26 -2.47 120.40 125.12 1i6h s VAL 225 Ca 0.03 1.79 -0.04 0.00 0.00 0.00 0.00 61.98 63.75 1i6h s VAL 225 Cb -0.15 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1i6h s VAL 225 CO -0.07 0.49 0.07 -0.36 0.00 0.00 0.00 175.10 175.23 1i6h s PHE 226 N -0.99 0.36 0.60 5.22 2.99 0.04 -1.49 117.98 124.70 1i6h s PHE 226 Ca 0.37 -0.33 -0.19 0.00 0.00 0.00 0.00 56.93 56.78 1i6h s PHE 226 Cb -0.23 -0.73 -0.04 0.00 0.00 0.00 0.00 43.02 42.02 1i6h s PHE 226 CO 0.27 -0.48 1.20 1.63 -0.00 0.00 0.00 175.22 177.85 1i6h n LYS 227 N 5.23 1.21 -5.16 0.44 5.02 -1.26 -2.61 118.16 121.03 1i6h n LYS 227 Ca -0.07 0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 56.38 1i6h n LYS 227 Cb 0.49 -2.42 -0.16 0.00 -0.02 0.00 0.00 35.03 32.93 1i6h n LYS 227 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1i6h s LYS 228 N -3.01 1.96 0.60 1.97 2.20 -0.72 -4.91 119.74 117.84 1i6h s LYS 228 Ca 0.77 -0.95 -0.12 0.00 -0.36 0.00 0.00 55.97 55.31 1i6h s LYS 228 Cb -0.41 -1.96 -0.10 0.00 -1.51 0.00 0.00 37.83 33.85 1i6h s LYS 228 CO 0.45 0.53 -0.60 0.00 -0.36 0.00 0.00 175.35 175.37 1i6h n ALA 229 N 2.27 -4.13 -0.03 3.13 0.00 -1.26 -4.78 120.51 115.71 1i6h n ALA 229 Ca -0.16 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.61 1i6h n ALA 229 Cb 0.51 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.24 1i6h n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i6h h ALA 230 N -0.60 0.13 0.00 0.00 0.00 -1.98 -3.25 119.26 113.55 1i6h h ALA 230 Ca -0.26 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 1i6h h ALA 230 Cb 0.80 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1i6h h ALA 230 CO 0.14 0.13 0.01 -0.35 0.00 0.00 0.00 179.25 179.18 1i6h n PRO 231 N -4.48 0.70 -4.26 0.00 -0.04 -1.26 -4.73 135.00 120.93 1i6h n PRO 231 Ca -0.08 -0.17 -0.15 0.00 -0.04 0.00 0.00 63.50 63.07 1i6h n PRO 231 Cb 0.46 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1i6h n PRO 231 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1i6h s SER 232 N 2.14 1.83 -0.00 3.54 0.15 -1.23 -5.07 113.70 115.05 1i6h s SER 232 Ca 0.11 -1.04 0.02 0.00 0.70 0.00 0.00 55.95 55.75 1i6h s SER 232 Cb 0.05 -0.01 -0.25 0.00 -1.71 0.00 0.00 66.02 64.10 1i6h s SER 232 CO 0.00 -0.35 0.82 1.55 1.20 0.00 0.00 173.24 176.46 1i6h h PRO 233 N 2.74 0.15 -6.00 5.44 0.13 -1.88 -3.46 132.00 129.11 1i6h h PRO 233 Ca -0.37 -0.25 -0.61 0.00 -0.87 0.00 0.00 66.00 63.90 1i6h h PRO 233 Cb 1.20 0.09 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1i6h h PRO 233 CO 0.64 0.94 -0.25 0.96 -0.23 0.00 0.00 178.00 180.05 1i6h s ILE 234 N -2.62 5.11 -0.17 -3.56 -5.25 -1.26 -2.76 121.20 110.69 1i6h s ILE 234 Ca -0.08 0.61 0.14 0.00 -0.99 0.00 0.00 60.65 60.34 1i6h s ILE 234 Cb 0.08 -3.65 -0.24 0.00 2.95 0.00 0.00 42.46 41.60 1i6h s ILE 234 CO 0.83 0.47 0.18 -1.54 -1.79 0.00 0.00 174.94 173.09 1i6h n SER 235 N 1.48 0.46 -3.98 4.36 3.41 -1.12 -4.65 113.62 113.57 1i6h n SER 235 Ca -0.12 0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 1i6h n SER 235 Cb 0.53 0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 64.96 1i6h n SER 235 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1i6h s HIS 236 N -2.52 0.40 -0.15 7.33 3.76 -1.26 -1.76 115.29 121.09 1i6h s HIS 236 Ca -0.12 -0.85 -0.13 0.00 -0.15 0.00 0.00 55.06 53.81 1i6h s HIS 236 Cb 0.07 -0.22 0.04 0.00 1.11 0.00 0.00 32.58 33.58 1i6h s HIS 236 CO 0.80 -0.52 0.40 0.08 -0.85 0.00 0.00 174.74 174.65 1i6h s VAL 237 N -3.92 -0.00 -0.18 -0.90 1.01 -1.07 -2.01 120.40 113.32 1i6h s VAL 237 Ca 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1i6h s VAL 237 Cb 0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 1i6h s VAL 237 CO -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 175.10 174.98 1i6h s ALA 238 N 0.37 2.85 0.32 5.51 0.00 0.07 -0.78 121.76 130.10 1i6h s ALA 238 Ca -0.01 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.05 1i6h s ALA 238 Cb -0.04 -1.57 -0.06 0.00 0.00 0.00 0.00 23.12 21.45 1i6h s ALA 238 CO -0.01 -0.09 -0.11 -1.21 0.00 0.00 0.00 175.76 174.34 1i6h s GLU 239 N 0.90 1.83 -0.29 0.00 2.02 -1.03 -0.41 118.70 121.72 1i6h s GLU 239 Ca -0.01 -1.85 0.01 0.00 0.02 0.00 0.00 54.97 53.14 1i6h s GLU 239 Cb -0.15 -1.77 0.18 0.00 0.10 0.00 0.00 34.13 32.49 1i6h s GLU 239 CO 0.01 0.20 0.53 -1.50 0.02 0.00 0.00 175.26 174.53 1i6h s ILE 240 N -2.56 -0.89 -0.80 -1.63 2.07 -1.09 -1.90 121.20 114.41 1i6h s ILE 240 Ca 0.32 -0.05 -0.25 0.00 -1.41 0.00 0.00 60.65 59.26 1i6h s ILE 240 Cb -0.00 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.63 1i6h s ILE 240 CO 0.17 -0.06 1.62 -0.60 -1.91 0.00 0.00 174.94 174.16 1i6h s ARG 241 N 2.76 2.99 -0.05 3.50 3.52 -1.26 -3.28 118.95 127.13 1i6h s ARG 241 Ca 0.15 -0.20 -0.15 0.00 -0.13 0.00 0.00 55.73 55.40 1i6h s ARG 241 Cb -0.13 -4.68 -0.05 0.00 -1.56 0.00 0.00 34.95 28.53 1i6h s ARG 241 CO -0.22 -2.58 0.39 -1.54 -0.81 0.00 0.00 175.30 170.53 1i6h s SER 242 N 6.13 6.72 0.35 -2.12 1.04 -1.26 0.40 113.70 124.96 1i6h s SER 242 Ca 0.54 0.86 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 1i6h s SER 242 Cb -0.07 -2.24 0.01 0.00 0.10 0.00 0.00 66.02 63.82 1i6h s SER 242 CO 0.08 0.25 0.50 0.00 0.98 0.00 0.00 173.24 175.05 1i6h n ALA 243 N 2.35 -0.42 -4.07 5.32 0.00 -1.24 -3.43 120.51 119.02 1i6h n ALA 243 Ca -0.13 -1.59 -0.32 0.00 0.00 0.00 0.00 53.44 51.40 1i6h n ALA 243 Cb 0.52 1.28 -0.15 0.00 0.00 0.00 0.00 19.45 21.10 1i6h n ALA 243 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i6h s LEU 244 N 0.00 2.94 0.32 0.00 1.43 -1.26 -4.31 118.68 117.80 1i6h s LEU 244 Ca 0.28 -1.14 0.05 0.00 -1.03 0.00 0.00 54.13 52.29 1i6h s LEU 244 Cb -0.01 -1.47 0.87 0.00 0.03 0.00 0.00 46.19 45.60 1i6h s LEU 244 CO 0.20 -0.14 1.57 -0.33 0.23 0.00 0.00 176.35 177.88 1i6h h GLU 245 N 7.85 0.01 -4.68 1.70 5.08 -1.97 -3.35 114.58 119.20 1i6h h GLU 245 Ca -0.27 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.79 1i6h h GLU 245 Cb 1.07 -0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.10 1i6h h GLU 245 CO 0.50 0.00 -0.74 0.15 -1.00 0.00 0.00 179.01 177.92 1i6h s LYS 246 N -5.92 0.58 -0.10 2.33 1.02 -1.26 -4.99 119.74 111.40 1i6h s LYS 246 Ca -0.12 -0.74 -0.04 0.00 0.02 0.00 0.00 55.97 55.09 1i6h s LYS 246 Cb 0.30 -0.40 0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1i6h s LYS 246 CO 0.78 0.08 0.08 0.41 -0.92 0.00 0.00 175.35 175.78 1i6h n GLY 247 N 1.56 -3.84 5.15 -3.33 0.00 -1.26 -4.61 105.19 98.86 1i6h n GLY 247 Ca -0.22 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1i6h n GLY 247 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1i6h n SER 248 N 0.62 0.00 -0.87 1.61 2.88 -1.26 -4.75 113.62 111.85 1i6h n SER 248 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1i6h n SER 248 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1i6h n SER 248 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1i6h n ARG 249 N 0.00 0.00 -1.32 -1.46 1.74 -1.26 -4.98 116.66 109.38 1i6h n ARG 249 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1i6h n ARG 249 Cb 0.00 -2.08 0.09 0.00 -1.02 0.00 0.00 32.46 29.45 1i6h n ARG 249 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1i6h n PHE 250 N -0.87 0.42 -3.54 -1.55 0.99 -1.26 -4.48 117.46 107.17 1i6h n PHE 250 Ca 0.00 0.39 -0.29 0.00 -0.00 0.00 0.00 57.45 57.55 1i6h n PHE 250 Cb 0.42 -2.05 -0.12 0.00 -1.00 0.00 0.00 39.48 36.73 1i6h n PHE 250 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1i6h s ILE 251 N -1.85 0.66 -0.35 4.37 1.01 -1.25 -3.65 121.20 120.14 1i6h s ILE 251 Ca 0.72 -2.21 0.03 0.00 0.00 0.00 0.00 60.65 59.18 1i6h s ILE 251 Cb -0.34 -1.47 0.10 0.00 0.01 0.00 0.00 42.46 40.76 1i6h s ILE 251 CO 0.52 -1.00 0.08 -0.94 0.00 0.00 0.00 174.94 173.60 1i6h s SER 252 N 0.60 4.53 -0.04 3.58 1.04 -1.22 -4.98 113.70 117.21 1i6h s SER 252 Ca 0.21 -2.11 -0.30 0.00 0.48 0.00 0.00 55.95 54.22 1i6h s SER 252 Cb -0.18 -1.44 -0.03 0.00 0.10 0.00 0.00 66.02 64.47 1i6h s SER 252 CO -0.03 -0.37 1.08 -0.89 0.98 0.00 0.00 173.24 174.01 1i6h s THR 253 N 0.97 4.54 0.23 2.02 2.01 -1.26 -4.44 115.64 119.71 1i6h s THR 253 Ca 0.11 1.83 -0.13 0.00 0.31 0.00 0.00 61.69 63.81 1i6h s THR 253 Cb -0.19 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 1i6h s THR 253 CO -0.11 0.06 0.61 -0.22 -0.69 0.00 0.00 174.62 174.27 1i6h s LEU 254 N 1.65 4.21 -0.18 4.42 2.96 -1.20 -4.88 118.68 125.65 1i6h s LEU 254 Ca 0.53 1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 55.50 1i6h s LEU 254 Cb -0.23 -3.65 0.06 0.00 0.50 0.00 0.00 46.19 42.87 1i6h s LEU 254 CO 0.23 -0.04 0.07 -1.10 -1.32 0.00 0.00 176.35 174.19 1i6h s GLN 255 N -2.53 0.35 -0.62 1.98 -0.21 -1.24 -2.66 119.66 114.73 1i6h s GLN 255 Ca 0.46 -0.26 -0.21 0.00 0.02 0.00 0.00 55.36 55.37 1i6h s GLN 255 Cb -0.13 -1.96 0.09 0.00 1.00 0.00 0.00 33.01 32.02 1i6h s GLN 255 CO 0.20 -0.67 0.82 0.08 -2.12 0.00 0.00 175.29 173.60 1i6h s VAL 256 N 2.00 4.59 0.18 1.09 1.01 0.45 -2.30 120.40 127.43 1i6h s VAL 256 Ca 0.01 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1i6h s VAL 256 Cb -0.17 -4.58 -0.07 0.00 0.00 0.00 0.00 36.38 31.57 1i6h s VAL 256 CO -0.09 -1.27 0.48 -0.54 0.00 0.00 0.00 175.10 173.68 1i6h s LYS 257 N 3.32 3.76 -0.63 2.72 1.02 0.67 -0.75 119.74 129.85 1i6h s LYS 257 Ca 0.17 0.18 0.03 0.00 0.02 0.00 0.00 55.97 56.36 1i6h s LYS 257 Cb -0.21 -2.76 0.16 0.00 -0.52 0.00 0.00 37.83 34.50 1i6h s LYS 257 CO 0.08 0.40 0.41 -1.17 -0.92 0.00 0.00 175.35 174.15 1i6h s LEU 258 N -2.61 4.74 0.59 3.17 2.96 -0.85 -0.28 118.68 126.39 1i6h s LEU 258 Ca 0.43 -3.33 -0.20 0.00 -0.22 0.00 0.00 54.13 50.81 1i6h s LEU 258 Cb -0.12 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1i6h s LEU 258 CO 0.22 -0.20 1.20 -1.22 -1.32 0.00 0.00 176.35 175.02 1i6h n TYR 259 N 2.72 1.66 -0.13 5.38 4.02 0.03 -2.78 117.16 128.05 1i6h n TYR 259 Ca 0.12 0.44 0.00 0.00 -0.01 0.00 0.00 57.90 58.44 1i6h n TYR 259 Cb 0.34 -2.26 0.00 0.00 -0.02 0.00 0.00 39.34 37.41 1i6h n TYR 259 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i6h n GLY 260 N 1.00 0.24 3.92 2.72 0.00 -1.11 -2.69 105.19 109.27 1i6h n GLY 260 Ca 0.13 -1.05 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 1i6h n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i6h s ARG 261 N -2.40 1.97 -0.33 1.61 0.52 -1.26 -4.36 118.95 114.70 1i6h s ARG 261 Ca 0.00 -0.09 -0.33 0.00 -0.52 0.00 0.00 55.73 54.79 1i6h s ARG 261 Cb 0.00 -2.04 -0.10 0.00 0.52 0.00 0.00 34.95 33.33 1i6h s ARG 261 CO 0.00 -1.50 2.21 0.39 0.02 0.00 0.00 175.30 176.42 1i6h n GLU 262 N -3.18 1.29 0.00 3.54 1.02 -1.26 0.21 120.64 122.26 1i6h n GLU 262 Ca 0.09 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 1i6h n GLU 262 Cb 0.61 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 1i6h n GLU 262 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i6h n GLY 263 N 6.34 0.21 3.47 0.62 0.00 -1.26 -5.08 105.19 109.48 1i6h n GLY 263 Ca 0.39 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 1i6h n GLY 263 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1i6h n SER 264 N 0.00 -1.58 -4.53 1.61 3.41 0.13 -4.92 113.62 107.75 1i6h n SER 264 Ca 0.00 -0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.11 1i6h n SER 264 Cb 0.00 -1.25 -0.04 0.00 -0.26 0.00 0.00 64.21 62.66 1i6h n SER 264 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1i6h s SER 265 N -2.34 6.35 -0.24 4.04 1.04 -1.26 -4.51 113.70 116.78 1i6h s SER 265 Ca 0.66 -0.31 -0.07 0.00 0.48 0.00 0.00 55.95 56.72 1i6h s SER 265 Cb -0.23 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.46 1i6h s SER 265 CO 0.65 -1.21 0.26 0.00 0.98 0.00 0.00 173.24 173.91 1i6h n ALA 266 N 7.44 -3.10 -2.48 5.32 0.00 -1.26 -4.91 120.51 121.52 1i6h n ALA 266 Ca 0.02 0.60 -0.42 0.00 0.00 0.00 0.00 53.44 53.64 1i6h n ALA 266 Cb 0.48 -1.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 1i6h n ALA 266 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1i6h s ARG 267 N -1.69 3.43 0.22 0.00 0.52 -1.26 -4.80 118.95 115.37 1i6h s ARG 267 Ca 0.11 0.41 0.05 0.00 -0.52 0.00 0.00 55.73 55.78 1i6h s ARG 267 Cb -0.03 -4.06 -0.03 0.00 0.52 0.00 0.00 34.95 31.34 1i6h s ARG 267 CO 0.47 -1.78 0.25 -0.08 0.02 0.00 0.00 175.30 174.18 1i6h s THR 268 N 5.49 4.81 -0.17 0.02 -1.32 -1.10 -4.69 115.64 118.69 1i6h s THR 268 Ca 0.49 -1.13 -0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1i6h s THR 268 Cb -0.09 -3.57 0.00 0.00 -1.51 0.00 0.00 72.50 67.33 1i6h s THR 268 CO 0.26 -0.27 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.62 1i6h s ILE 269 N -1.97 2.60 0.33 5.08 1.01 -1.26 -0.79 121.20 126.20 1i6h s ILE 269 Ca 0.33 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.27 1i6h s ILE 269 Cb -0.09 -2.11 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 1i6h s ILE 269 CO 0.26 0.51 -0.03 -0.54 0.00 0.00 0.00 174.94 175.14 1i6h s LYS 270 N 1.03 1.71 0.31 2.79 1.02 0.61 -2.27 119.74 124.94 1i6h s LYS 270 Ca -0.01 -1.91 0.04 0.00 0.02 0.00 0.00 55.97 54.11 1i6h s LYS 270 Cb -0.15 -1.29 -0.06 0.00 -0.52 0.00 0.00 37.83 35.81 1i6h s LYS 270 CO -0.04 -0.01 0.05 0.00 -0.92 0.00 0.00 175.35 174.43 1i6h s ALA 271 N -2.94 2.26 -0.14 5.17 0.00 -1.05 -0.24 121.76 124.82 1i6h s ALA 271 Ca 0.33 -2.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.27 1i6h s ALA 271 Cb 0.06 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.87 1i6h s ALA 271 CO 0.15 -0.30 -0.06 0.99 0.00 0.00 0.00 175.76 176.53 1i6h s THR 272 N -3.33 1.08 0.09 0.00 2.01 -0.97 -0.81 115.64 113.71 1i6h s THR 272 Ca 0.36 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.89 1i6h s THR 272 Cb 0.08 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1i6h s THR 272 CO 0.15 0.23 0.15 -0.76 -0.69 0.00 0.00 174.62 173.70 1i6h s LEU 273 N 1.66 4.03 0.96 4.42 1.43 -1.26 -3.69 118.68 126.23 1i6h s LEU 273 Ca 0.03 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1i6h s LEU 273 Cb -0.14 -2.66 0.17 0.00 0.03 0.00 0.00 46.19 43.59 1i6h s LEU 273 CO -0.08 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.57 1i6h s PRO 274 N -2.62 0.69 -0.17 1.29 0.04 -1.26 -3.15 135.00 129.81 1i6h s PRO 274 Ca 0.32 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1i6h s PRO 274 Cb -0.12 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1i6h s PRO 274 CO 0.25 -2.70 0.00 0.66 0.04 0.00 0.00 177.00 175.25 1i6h n TYR 275 N -4.23 -0.37 -4.07 0.56 4.02 -1.26 -4.85 117.16 106.96 1i6h n TYR 275 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.63 1i6h n TYR 275 Cb 0.54 -1.06 -0.15 0.00 -0.02 0.00 0.00 39.34 38.65 1i6h n TYR 275 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1i6h s ILE 276 N -0.68 2.27 0.00 -0.72 1.01 -1.19 -5.02 121.20 116.88 1i6h s ILE 276 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.51 1i6h s ILE 276 Cb 0.00 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1i6h s ILE 276 CO 0.00 0.32 0.46 0.29 0.00 0.00 0.00 174.94 176.01 1i6h n LYS 277 N 4.58 0.32 -3.77 2.79 5.02 -1.26 -4.68 118.16 121.16 1i6h n LYS 277 Ca -0.18 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.12 1i6h n LYS 277 Cb 0.47 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1i6h n LYS 277 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1i6h s GLN 278 N 1.00 0.48 0.01 1.97 -0.21 -1.26 -5.15 119.66 116.49 1i6h s GLN 278 Ca 0.00 -0.29 -0.04 0.00 0.02 0.00 0.00 55.36 55.06 1i6h s GLN 278 Cb 0.00 0.15 -0.04 0.00 1.00 0.00 0.00 33.01 34.12 1i6h s GLN 278 CO 0.00 -0.22 0.22 -0.51 -2.12 0.00 0.00 175.29 172.66 1i6h s ASP 279 N -3.29 6.41 -0.18 5.90 1.01 -1.26 -4.30 116.67 120.97 1i6h s ASP 279 Ca 0.20 0.42 -0.00 0.00 0.71 0.00 0.00 52.55 53.87 1i6h s ASP 279 Cb 0.02 -2.03 0.04 0.00 1.01 0.00 0.00 42.92 41.97 1i6h s ASP 279 CO -0.02 0.24 -0.06 -0.63 0.21 0.00 0.00 175.17 174.91 1i6h s ILE 280 N -1.34 1.25 0.01 0.77 1.01 0.01 -4.84 121.20 118.06 1i6h s ILE 280 Ca 0.28 -0.74 -0.39 0.00 0.00 0.00 0.00 60.65 59.80 1i6h s ILE 280 Cb -0.13 -1.41 -0.20 0.00 0.01 0.00 0.00 42.46 40.74 1i6h s ILE 280 CO 0.19 0.13 1.05 -0.81 0.00 0.00 0.00 174.94 175.49 1i6h n PRO 281 N 4.82 0.00 -0.27 2.79 -0.04 -1.26 -2.54 135.00 138.51 1i6h n PRO 281 Ca -0.13 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.35 1i6h n PRO 281 Cb 0.47 -1.48 0.09 0.00 -0.04 0.00 0.00 33.50 32.54 1i6h n PRO 281 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1i6h h ILE 282 N 2.92 0.21 -0.39 0.52 3.07 -1.78 -2.45 117.51 119.61 1i6h h ILE 282 Ca -0.50 0.00 0.08 0.00 1.55 0.00 0.00 64.86 65.99 1i6h h ILE 282 Cb 1.43 0.21 -0.09 0.00 -0.27 0.00 0.00 36.82 38.10 1i6h h ILE 282 CO 0.65 0.00 -0.28 0.58 -1.05 0.00 0.00 178.15 178.05 1i6h h VAL 283 N -0.01 0.29 -0.49 0.16 2.07 -1.87 0.17 116.25 116.57 1i6h h VAL 283 Ca 0.37 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.99 1i6h h VAL 283 Cb 0.57 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 30.54 1i6h h VAL 283 CO -0.80 0.00 -0.18 0.40 0.02 0.00 0.00 177.57 177.00 1i6h h ILE 284 N -0.22 0.40 -0.92 4.57 2.04 -1.78 0.76 117.51 122.37 1i6h h ILE 284 Ca 0.18 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.12 1i6h h ILE 284 Cb 0.50 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1i6h h ILE 284 CO -0.51 0.00 0.59 0.40 0.00 0.00 0.00 178.15 178.63 1i6h h ILE 285 N -0.07 1.02 0.64 -0.67 2.04 -1.18 0.33 117.51 119.61 1i6h h ILE 285 Ca 0.24 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1i6h h ILE 285 Cb 0.43 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1i6h h ILE 285 CO -0.55 0.18 -0.31 -0.26 0.00 0.00 0.00 178.15 177.22 1i6h h PHE 286 N 0.98 -0.80 -0.88 1.37 -1.00 0.32 -1.37 116.94 115.56 1i6h h PHE 286 Ca 0.41 -0.02 0.04 0.00 2.81 0.00 0.00 57.97 61.21 1i6h h PHE 286 Cb 0.30 0.26 -0.05 0.00 3.61 0.00 0.00 35.95 40.07 1i6h h PHE 286 CO -0.00 -0.47 0.58 0.00 -1.61 0.00 0.00 178.31 176.81 1i6h h ARG 287 N -0.96 1.07 -0.20 1.51 3.08 0.11 0.32 114.38 119.32 1i6h h ARG 287 Ca -0.09 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 59.94 1i6h h ARG 287 Cb 0.69 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1i6h h ARG 287 CO 0.14 0.71 0.14 0.00 -1.07 0.00 0.00 179.97 179.89 1i6h h ALA 288 N 1.48 2.08 -0.00 0.04 0.00 -0.21 0.11 119.26 122.77 1i6h h ALA 288 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1i6h h ALA 288 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1i6h h ALA 288 CO -0.10 -0.12 -0.12 1.28 0.00 0.00 0.00 179.25 180.18 1i6h n LEU 289 N -4.49 0.41 0.00 0.00 4.77 0.11 -4.68 117.00 113.11 1i6h n LEU 289 Ca 0.01 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1i6h n LEU 289 Cb 0.22 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1i6h n LEU 289 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1i6h n GLY 290 N 1.31 1.91 3.54 -0.72 0.00 0.39 -4.77 105.19 106.84 1i6h n GLY 290 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1i6h n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i6h s ILE 291 N -1.88 4.82 -0.24 -0.61 1.01 -1.06 -4.92 121.20 118.31 1i6h s ILE 291 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 1i6h s ILE 291 Cb 0.00 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 1i6h s ILE 291 CO 0.00 -0.53 -0.32 -0.38 0.00 0.00 0.00 174.94 173.71 1i6h n ILE 292 N 5.82 1.37 -1.69 2.92 5.41 -1.26 -1.20 119.36 130.73 1i6h n ILE 292 Ca -0.01 -0.29 -0.44 0.00 1.00 0.00 0.00 62.75 63.01 1i6h n ILE 292 Cb 0.48 -1.88 -0.04 0.00 -0.71 0.00 0.00 39.64 37.49 1i6h n ILE 292 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1i6h n PRO 293 N -4.14 2.52 -1.13 0.38 -0.04 -1.26 -4.85 135.00 126.49 1i6h n PRO 293 Ca -0.45 0.91 -0.35 0.00 -0.04 0.00 0.00 63.50 63.57 1i6h n PRO 293 Cb 0.81 -2.75 0.09 0.00 -0.04 0.00 0.00 33.50 31.61 1i6h n PRO 293 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1i6h n ASP 294 N 4.55 -0.94 0.00 3.54 10.43 -1.26 -0.63 116.55 132.24 1i6h n ASP 294 Ca 0.18 0.53 0.00 0.00 2.57 0.00 0.00 54.79 58.07 1i6h n ASP 294 Cb 0.33 -1.27 0.00 0.00 1.84 0.00 0.00 41.12 42.02 1i6h n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1i6h n GLY 295 N 1.40 1.47 0.16 0.44 0.00 -1.26 -4.27 105.19 103.12 1i6h n GLY 295 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1i6h n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1i6h h GLU 296 N 0.00 0.00 0.06 1.61 4.81 -1.25 -2.42 114.58 117.40 1i6h h GLU 296 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1i6h h GLU 296 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1i6h h GLU 296 CO 0.00 0.26 -0.45 0.82 -0.73 0.00 0.00 179.01 178.91 1i6h h ILE 297 N 0.00 1.61 0.00 2.32 2.04 -1.46 -3.23 117.51 118.79 1i6h h ILE 297 Ca -0.02 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.42 1i6h h ILE 297 Cb 1.24 3.24 0.00 0.00 -0.74 0.00 0.00 36.82 40.56 1i6h h ILE 297 CO 0.03 0.65 0.00 -0.07 0.00 0.00 0.00 178.15 178.76 1i6h h LEU 298 N -0.72 0.00 -0.19 1.44 3.38 -1.83 -1.29 115.31 116.11 1i6h h LEU 298 Ca -0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1i6h h LEU 298 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1i6h h LEU 298 CO 0.06 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.16 1i6h h GLU 299 N 0.00 0.40 0.00 1.13 5.08 -1.45 -0.53 114.58 119.21 1i6h h GLU 299 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1i6h h GLU 299 Cb 0.09 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1i6h h GLU 299 CO 0.00 0.70 0.00 0.45 -1.00 0.00 0.00 179.01 179.16 1i6h h HIS 300 N 0.09 0.00 0.00 4.33 3.86 -1.29 -3.35 115.15 118.79 1i6h h HIS 300 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1i6h h HIS 300 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1i6h h HIS 300 CO 0.06 0.00 0.00 -0.89 0.86 0.00 0.00 177.93 177.96 1i6h n ILE 301 N -2.76 0.00 -2.60 2.45 5.41 -1.06 -3.97 119.36 116.83 1i6h n ILE 301 Ca -0.01 0.20 -0.41 0.00 1.00 0.00 0.00 62.75 63.53 1i6h n ILE 301 Cb 0.16 -1.09 -0.04 0.00 -0.71 0.00 0.00 39.64 37.96 1i6h n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i6h n TYR 303 N 3.13 3.17 0.00 0.00 0.53 -1.26 -4.49 117.16 118.24 1i6h n TYR 303 Ca 0.05 -2.86 0.00 0.00 -1.02 0.00 0.00 57.90 54.06 1i6h n TYR 303 Cb 0.48 -0.91 0.00 0.00 -1.03 0.00 0.00 39.34 37.88 1i6h n TYR 303 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 1i6h n ASP 304 N -0.27 0.00 -0.08 7.72 -0.08 -1.26 -5.01 116.55 117.57 1i6h n ASP 304 Ca 0.44 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.86 1i6h n ASP 304 Cb 0.33 0.00 0.50 0.00 2.34 0.00 0.00 41.12 44.29 1i6h n ASP 304 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1i6h n VAL 305 N -0.04 0.00 0.11 5.18 0.31 -1.26 -3.31 118.33 119.32 1i6h n VAL 305 Ca 0.00 -0.04 0.07 0.00 -0.01 0.00 0.00 64.34 64.37 1i6h n VAL 305 Cb 0.00 -0.04 0.25 0.00 -0.91 0.00 0.00 33.84 33.14 1i6h n VAL 305 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1i6h n ASN 306 N -1.17 3.32 -3.08 4.52 3.02 -1.26 -4.44 115.26 116.17 1i6h n ASN 306 Ca 0.10 -2.20 -0.38 0.00 -0.03 0.00 0.00 54.58 52.08 1i6h n ASN 306 Cb 0.31 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1i6h n ASN 306 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1i6h n ASP 307 N 0.87 6.92 -0.32 6.41 -0.08 -1.21 -4.81 116.55 124.33 1i6h n ASP 307 Ca 0.18 -3.77 0.15 0.00 -1.51 0.00 0.00 54.79 49.85 1i6h n ASP 307 Cb 0.59 -0.99 0.32 0.00 2.34 0.00 0.00 41.12 43.39 1i6h n ASP 307 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1i6h h TRP 308 N 3.30 0.23 -0.94 -0.67 5.08 -1.88 -0.51 115.95 120.57 1i6h h TRP 308 Ca 0.50 0.06 0.15 0.00 1.08 0.00 0.00 58.89 60.67 1i6h h TRP 308 Cb 0.26 0.05 -0.16 0.00 -3.00 0.00 0.00 29.16 26.31 1i6h h TRP 308 CO 1.16 -0.33 -0.37 1.96 -1.28 0.00 0.00 178.44 179.57 1i6h h GLN 309 N 0.10 -0.02 0.29 0.12 4.20 -1.98 0.57 115.11 118.39 1i6h h GLN 309 Ca 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.29 1i6h h GLN 309 Cb 1.27 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1i6h h GLN 309 CO -0.77 -0.02 -0.14 1.98 -0.67 0.00 0.00 178.83 179.21 1i6h h MET 310 N -0.02 -0.38 -0.95 1.46 4.05 -1.52 -3.12 114.93 114.44 1i6h h MET 310 Ca 0.34 0.03 0.20 0.00 -0.28 0.00 0.00 59.70 59.99 1i6h h MET 310 Cb 0.60 0.09 -0.18 0.00 -0.80 0.00 0.00 31.60 31.30 1i6h h MET 310 CO -0.95 -0.05 -0.19 1.28 0.23 0.00 0.00 176.91 177.24 1i6h n LEU 311 N -5.06 -0.30 0.08 3.39 4.77 -0.47 0.94 117.00 120.35 1i6h n LEU 311 Ca -0.08 1.63 -0.15 0.00 -0.03 0.00 0.00 56.01 57.38 1i6h n LEU 311 Cb 0.26 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.76 1i6h n LEU 311 CO 0.25 -1.58 0.55 -0.08 -1.33 0.00 0.00 177.39 175.21 1i6h h GLU 312 N 0.00 -0.63 -1.36 3.23 4.57 0.06 0.46 114.58 120.91 1i6h h GLU 312 Ca 0.48 0.04 0.42 0.00 -1.18 0.00 0.00 59.36 59.12 1i6h h GLU 312 Cb 0.79 0.14 -0.11 0.00 -0.16 0.00 0.00 28.75 29.41 1i6h h GLU 312 CO -0.96 -0.42 0.90 0.52 -1.18 0.00 0.00 179.01 177.87 1i6h h MET 313 N -0.66 0.10 0.00 1.92 2.86 0.63 0.80 114.93 120.58 1i6h h MET 313 Ca 0.02 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1i6h h MET 313 Cb 0.70 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1i6h h MET 313 CO -0.30 0.07 -0.35 -0.07 1.06 0.00 0.00 176.91 177.31 1i6h h LEU 314 N 0.10 0.00 -0.05 1.22 3.38 -0.33 -3.38 115.31 116.26 1i6h h LEU 314 Ca 0.78 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.76 1i6h h LEU 314 Cb 2.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.31 1i6h h LEU 314 CO -0.31 0.35 -0.03 0.29 0.09 0.00 0.00 178.44 178.83 1i6h n LYS 315 N -3.19 -0.02 0.00 1.13 5.02 0.28 0.17 118.16 121.54 1i6h n LYS 315 Ca 0.03 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 1i6h n LYS 315 Cb 0.67 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1i6h n LYS 315 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1i6h n PRO 316 N -3.05 0.00 0.11 1.97 -0.04 -1.26 0.22 135.00 132.95 1i6h n PRO 316 Ca 0.00 0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 63.52 1i6h n PRO 316 Cb 0.01 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 31.62 1i6h n PRO 316 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i6h h VAL 318 N 0.09 1.29 0.00 0.00 2.07 0.31 -3.17 116.25 116.84 1i6h h VAL 318 Ca -0.18 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1i6h h VAL 318 Cb 2.03 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1i6h h VAL 318 CO 0.22 0.44 0.00 -0.62 0.02 0.00 0.00 177.57 177.63 1i6h n GLU 319 N -4.06 0.00 -0.22 1.57 -0.58 -1.05 -0.79 120.64 115.51 1i6h n GLU 319 Ca -0.01 0.70 0.04 0.00 -0.42 0.00 0.00 57.16 57.47 1i6h n GLU 319 Cb 0.46 -1.46 0.10 0.00 -0.57 0.00 0.00 31.44 29.96 1i6h n GLU 319 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1i6h n ASP 320 N -2.35 -0.20 -0.78 1.62 9.92 -1.20 -0.30 116.55 123.26 1i6h n ASP 320 Ca 0.00 1.04 0.12 0.00 -0.53 0.00 0.00 54.79 55.42 1i6h n ASP 320 Cb 0.00 -0.32 0.29 0.00 -0.64 0.00 0.00 41.12 40.45 1i6h n ASP 320 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i6h n GLY 321 N -1.37 0.70 0.00 0.44 0.00 -0.99 -4.25 105.19 99.71 1i6h n GLY 321 Ca 0.10 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.56 1i6h n GLY 321 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1i6h n PHE 322 N 0.86 0.00 -0.01 1.61 7.35 0.59 -0.79 117.46 127.06 1i6h n PHE 322 Ca 0.17 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.94 1i6h n PHE 322 Cb 0.49 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 40.16 1i6h n PHE 322 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1i6h n VAL 323 N -0.86 0.20 -4.11 -2.13 0.31 -1.26 -4.84 118.33 105.65 1i6h n VAL 323 Ca 0.04 -0.54 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 1i6h n VAL 323 Cb 0.02 -0.08 -0.12 0.00 -0.91 0.00 0.00 33.84 32.74 1i6h n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1i6h s ILE 324 N -3.40 3.96 -0.02 2.52 1.01 0.03 -4.98 121.20 120.32 1i6h s ILE 324 Ca -0.08 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1i6h s ILE 324 Cb 0.13 -2.78 0.04 0.00 0.01 0.00 0.00 42.46 39.85 1i6h s ILE 324 CO 0.89 0.44 0.87 1.67 0.00 0.00 0.00 174.94 178.81 1i6h n GLN 325 N 4.15 1.70 -3.79 2.79 -0.06 -1.26 -4.97 117.38 115.94 1i6h n GLN 325 Ca -0.17 -1.30 -0.13 0.00 -2.00 0.00 0.00 57.00 53.40 1i6h n GLN 325 Cb 0.52 -0.88 -0.10 0.00 -4.06 0.00 0.00 30.24 25.72 1i6h n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 1i6h s ASP 326 N -0.94 -0.20 0.43 1.69 -4.77 -1.26 -4.97 116.67 106.66 1i6h s ASP 326 Ca 0.04 0.24 0.26 0.00 -3.30 0.00 0.00 52.55 49.79 1i6h s ASP 326 Cb 0.03 0.41 1.31 0.00 -1.09 0.00 0.00 42.92 43.58 1i6h s ASP 326 CO 0.00 -0.28 1.70 -0.09 0.70 0.00 0.00 175.17 177.20 1i6h h ARG 327 N 4.72 0.20 0.63 2.11 2.43 -1.93 -1.23 114.38 121.31 1i6h h ARG 327 Ca -0.28 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 1i6h h ARG 327 Cb 1.19 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1i6h h ARG 327 CO 0.37 0.13 -0.30 0.93 -1.51 0.00 0.00 179.97 179.59 1i6h h GLU 328 N 0.20 -0.82 -0.58 0.20 5.08 -1.93 -1.23 114.58 115.50 1i6h h GLU 328 Ca 0.71 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 59.17 1i6h h GLU 328 Cb 2.13 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 31.52 1i6h h GLU 328 CO -0.32 -0.50 0.32 1.15 -1.00 0.00 0.00 179.01 178.65 1i6h h THR 329 N -1.08 0.98 0.27 1.13 2.02 -1.68 0.20 112.91 114.75 1i6h h THR 329 Ca -0.09 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.89 1i6h h THR 329 Cb 0.70 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1i6h h THR 329 CO 0.14 0.11 -0.36 0.00 0.37 0.00 0.00 175.52 175.78 1i6h h ALA 330 N 1.30 -0.73 -0.16 6.16 0.00 -1.32 1.80 119.26 126.31 1i6h h ALA 330 Ca 0.25 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1i6h h ALA 330 Cb 0.13 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1i6h h ALA 330 CO -0.15 -0.95 0.32 -0.07 0.00 0.00 0.00 179.25 178.39 1i6h h LEU 331 N -0.69 0.00 0.14 0.00 4.07 -0.71 -1.70 115.31 116.41 1i6h h LEU 331 Ca -0.01 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.63 1i6h h LEU 331 Cb 0.65 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 1i6h h LEU 331 CO -0.12 0.00 -1.68 -0.78 -1.08 0.00 0.00 178.44 174.78 1i6h h ASP 332 N 0.00 0.46 0.00 -0.43 3.58 0.38 -3.34 116.42 117.07 1i6h h ASP 332 Ca 0.08 -0.90 0.00 0.00 0.42 0.00 0.00 57.03 56.63 1i6h h ASP 332 Cb 0.71 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1i6h h ASP 332 CO -0.00 1.74 0.22 0.33 -2.88 0.00 0.00 179.24 178.65 1i6h n PHE 333 N -3.71 0.00 -2.92 0.28 7.35 0.54 -2.41 117.46 116.59 1i6h n PHE 333 Ca -0.27 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 55.99 1i6h n PHE 333 Cb 0.99 -0.27 0.01 0.00 0.35 0.00 0.00 39.48 40.56 1i6h n PHE 333 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1i6h n ILE 334 N -1.27 5.17 0.00 -2.13 5.41 -1.23 -5.10 119.36 120.20 1i6h n ILE 334 Ca 0.00 -5.69 0.00 0.00 1.00 0.00 0.00 62.75 58.06 1i6h n ILE 334 Cb 0.22 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 1i6h n ILE 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1i6h n GLY 335 N 1.60 3.97 0.00 7.39 0.00 -1.01 -4.73 105.19 112.41 1i6h n GLY 335 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1i6h n GLY 335 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i6h n LYS 345 N 0.00 1.32 0.00 1.61 5.02 -1.26 -5.05 118.16 119.79 1i6h n LYS 345 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1i6h n LYS 345 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1i6h n LYS 345 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1i6h n GLU 346 N 0.00 0.00 -0.28 1.97 1.02 -1.26 -2.95 120.64 119.14 1i6h n GLU 346 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1i6h n GLU 346 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1i6h n GLU 346 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1i6h n LYS 347 N 0.00 -0.30 0.05 3.49 5.02 -1.26 -1.58 118.16 123.59 1i6h n LYS 347 Ca 0.00 1.15 -0.12 0.00 -2.02 0.00 0.00 58.31 57.32 1i6h n LYS 347 Cb 0.00 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.26 1i6h n LYS 347 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1i6h h ARG 348 N 0.00 -0.47 -0.91 1.97 0.11 -1.92 -2.47 114.38 110.69 1i6h h ARG 348 Ca 0.11 0.03 0.24 0.00 0.10 0.00 0.00 59.98 60.46 1i6h h ARG 348 Cb 0.28 0.11 -0.16 0.00 1.11 0.00 0.00 29.97 31.30 1i6h h ARG 348 CO -0.63 -0.31 0.07 0.82 0.10 0.00 0.00 179.97 180.01 1i6h h ILE 349 N -0.49 0.16 -0.36 0.08 2.04 -1.52 0.94 117.51 118.37 1i6h h ILE 349 Ca 0.06 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1i6h h ILE 349 Cb 0.58 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1i6h h ILE 349 CO -0.29 0.01 0.17 -0.61 0.00 0.00 0.00 178.15 177.44 1i6h h GLN 350 N 0.07 0.51 -0.77 2.37 5.75 -1.23 0.50 115.11 122.32 1i6h h GLN 350 Ca 0.54 -0.07 0.18 0.00 -0.15 0.00 0.00 58.65 59.15 1i6h h GLN 350 Cb 1.08 -0.09 -0.12 0.00 1.07 0.00 0.00 27.48 29.42 1i6h h GLN 350 CO -0.80 0.46 0.15 -0.92 -2.65 0.00 0.00 178.83 175.07 1i6h h TYR 351 N 0.44 0.21 0.37 3.99 3.20 0.11 0.37 116.97 125.67 1i6h h TYR 351 Ca 0.12 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 1i6h h TYR 351 Cb 0.11 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1i6h h TYR 351 CO -0.02 -0.15 -0.18 0.00 -1.64 0.00 0.00 178.16 176.17 1i6h h ALA 352 N 1.67 -1.13 -0.90 1.82 0.00 0.20 -1.53 119.26 119.38 1i6h h ALA 352 Ca 0.44 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.49 1i6h h ALA 352 Cb 0.80 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 18.64 1i6h h ALA 352 CO -0.58 -1.09 0.12 0.87 0.00 0.00 0.00 179.25 178.57 1i6h h LYS 353 N -0.51 0.10 -0.46 0.00 1.57 0.12 0.27 116.57 117.67 1i6h h LYS 353 Ca -0.05 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1i6h h LYS 353 Cb 0.39 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1i6h h LYS 353 CO 0.08 0.07 0.19 -0.44 -0.57 0.00 0.00 179.45 178.78 1i6h h ASP 354 N 0.10 0.64 -0.45 0.86 3.32 -0.26 -2.17 116.42 118.45 1i6h h ASP 354 Ca 0.55 -0.16 0.05 0.00 0.02 0.00 0.00 57.03 57.50 1i6h h ASP 354 Cb 1.13 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.46 1i6h h ASP 354 CO -0.76 0.63 0.17 0.40 -1.72 0.00 0.00 179.24 177.96 1i6h h ILE 355 N 0.61 0.88 0.00 0.35 2.04 0.57 0.25 117.51 122.20 1i6h h ILE 355 Ca 0.16 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.89 1i6h h ILE 355 Cb 0.18 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1i6h h ILE 355 CO -0.01 0.06 0.00 0.18 0.00 0.00 0.00 178.15 178.38 1i6h n LEU 356 N -4.99 0.00 -0.07 1.44 4.77 -0.52 -0.49 117.00 117.15 1i6h n LEU 356 Ca 0.04 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 1i6h n LEU 356 Cb 0.16 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1i6h n LEU 356 CO 0.26 -0.00 -0.61 0.00 -1.33 0.00 0.00 177.39 175.71 1i6h n GLN 357 N -1.01 0.42 0.00 3.23 6.02 0.65 -4.70 117.38 121.99 1i6h n GLN 357 Ca 0.18 0.17 0.05 0.00 -0.01 0.00 0.00 57.00 57.39 1i6h n GLN 357 Cb 0.09 -1.24 0.01 0.00 1.02 0.00 0.00 30.24 30.11 1i6h n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1i6h n LYS 358 N -4.24 1.80 -0.00 -1.09 5.02 0.04 -4.24 118.16 115.46 1i6h n LYS 358 Ca -0.14 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 1i6h n LYS 358 Cb 0.45 -1.11 -0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1i6h n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1i6h n GLU 359 N -0.10 1.48 -3.74 1.97 -0.58 -1.02 -4.72 120.64 113.92 1i6h n GLU 359 Ca 0.05 -0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.41 1i6h n GLU 359 Cb 0.22 -0.90 -0.12 0.00 -0.57 0.00 0.00 31.44 30.07 1i6h n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1i6h s PHE 360 N -1.80 3.12 -1.27 -0.32 5.36 0.36 -4.50 117.98 118.93 1i6h s PHE 360 Ca -0.00 -0.67 -0.05 0.00 -0.96 0.00 0.00 56.93 55.25 1i6h s PHE 360 Cb 0.00 -2.26 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1i6h s PHE 360 CO 0.01 -0.46 1.09 1.28 -1.46 0.00 0.00 175.22 175.67 1i6h n LEU 361 N 4.91 -3.62 -0.26 6.12 4.32 -1.26 -4.68 117.00 122.53 1i6h n LEU 361 Ca -0.15 -0.56 0.07 0.00 -0.02 0.00 0.00 56.01 55.35 1i6h n LEU 361 Cb 0.50 -3.02 0.20 0.00 -1.62 0.00 0.00 43.42 39.47 1i6h n LEU 361 CO 0.32 0.54 0.90 1.55 -1.22 0.00 0.00 177.39 179.48 1i6h h PRO 362 N -2.34 0.20 -7.18 3.23 0.13 -1.83 -3.40 132.00 120.80 1i6h h PRO 362 Ca -0.57 -0.01 -0.45 0.00 -0.87 0.00 0.00 66.00 64.10 1i6h h PRO 362 Cb 1.35 -0.05 0.20 0.00 0.13 0.00 0.00 31.00 32.64 1i6h h PRO 362 CO 0.52 0.13 0.06 -3.38 -0.23 0.00 0.00 178.00 175.11 1i6h s HIS 363 N -6.04 1.46 0.00 1.56 -3.43 -1.26 -2.76 115.29 104.81 1i6h s HIS 363 Ca -0.13 1.26 0.00 0.00 -0.80 0.00 0.00 55.06 55.39 1i6h s HIS 363 Cb 0.22 -3.14 0.00 0.00 -1.43 0.00 0.00 32.58 28.23 1i6h s HIS 363 CO 0.76 -3.63 0.00 -0.89 -2.00 0.00 0.00 174.74 168.97 1i6h n ILE 364 N -4.76 0.00 -3.63 -5.38 5.41 -1.26 -4.84 119.36 104.89 1i6h n ILE 364 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.76 1i6h n ILE 364 Cb 0.54 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.43 1i6h n ILE 364 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1i6h s THR 365 N 0.00 0.00 -0.19 1.39 2.01 -1.11 -5.04 115.64 112.69 1i6h s THR 365 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1i6h s THR 365 Cb 0.00 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 1i6h s THR 365 CO 0.00 0.00 0.23 0.00 -0.69 0.00 0.00 174.62 174.16 1i6h n GLN 366 N 0.46 4.58 0.00 4.92 6.02 -1.26 -4.67 117.38 127.43 1i6h n GLN 366 Ca -0.01 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1i6h n GLN 366 Cb 0.59 -0.73 0.00 0.00 1.02 0.00 0.00 30.24 31.12 1i6h n GLN 366 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1i6h n LEU 367 N -0.78 0.00 0.00 1.08 4.77 -1.26 -4.20 117.00 116.60 1i6h n LEU 367 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1i6h n LEU 367 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1i6h n LEU 367 CO 0.05 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.49 1i6h n GLU 368 N 0.00 0.00 -1.16 3.23 1.02 -1.26 -4.78 120.64 117.69 1i6h n GLU 368 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1i6h n GLU 368 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1i6h n GLU 368 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i6h n GLY 369 N 3.34 3.90 2.65 0.62 0.00 -1.26 -4.36 105.19 110.07 1i6h n GLY 369 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 1i6h n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i6h n PHE 370 N 3.97 0.68 0.20 1.61 3.01 -1.26 -4.90 117.46 120.77 1i6h n PHE 370 Ca 0.67 -2.73 0.10 0.00 1.01 0.00 0.00 57.45 56.50 1i6h n PHE 370 Cb 0.21 -0.15 0.18 0.00 -0.01 0.00 0.00 39.48 39.72 1i6h n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1i6h h GLU 371 N 2.89 0.00 0.17 -1.08 3.07 -1.89 -3.20 114.58 114.53 1i6h h GLU 371 Ca -0.11 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.52 1i6h h GLU 371 Cb 1.18 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.12 1i6h h GLU 371 CO 0.43 0.15 -1.04 0.66 -1.40 0.00 0.00 179.01 177.82 1i6h h SER 372 N 0.00 0.55 -0.61 1.42 4.64 -1.90 -2.57 113.55 115.09 1i6h h SER 372 Ca -0.00 -0.94 0.11 0.00 -0.47 0.00 0.00 61.79 60.49 1i6h h SER 372 Cb 1.06 -0.18 -0.08 0.00 -0.31 0.00 0.00 62.40 62.89 1i6h h SER 372 CO 0.02 1.49 0.15 0.03 -0.87 0.00 0.00 176.83 177.65 1i6h h ARG 373 N -0.24 0.28 -0.19 4.77 3.08 -1.86 -1.53 114.38 118.69 1i6h h ARG 373 Ca -0.19 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.70 1i6h h ARG 373 Cb 1.78 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.77 1i6h h ARG 373 CO 0.17 0.18 -0.45 0.87 -1.07 0.00 0.00 179.97 179.67 1i6h h LYS 374 N 0.29 0.64 -0.77 0.04 1.57 -1.65 -3.04 116.57 113.65 1i6h h LYS 374 Ca 0.32 -0.44 0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1i6h h LYS 374 Cb 0.46 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.78 1i6h h LYS 374 CO -0.39 1.06 0.48 0.00 -0.57 0.00 0.00 179.45 180.02 1i6h h ALA 375 N 0.58 1.04 -0.42 3.86 0.00 -1.05 -1.20 119.26 122.06 1i6h h ALA 375 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1i6h h ALA 375 Cb 1.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1i6h h ALA 375 CO 0.10 0.23 0.20 0.74 0.00 0.00 0.00 179.25 180.52 1i6h h PHE 376 N 0.89 0.37 0.42 0.00 0.05 -1.32 -1.30 116.94 116.05 1i6h h PHE 376 Ca 0.33 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 62.11 1i6h h PHE 376 Cb 0.10 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 37.96 1i6h h PHE 376 CO -0.04 0.18 -0.20 0.35 -0.18 0.00 0.00 178.31 178.42 1i6h h PHE 377 N 0.40 -0.52 -0.21 -0.55 3.57 -1.30 0.36 116.94 118.68 1i6h h PHE 377 Ca 0.18 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1i6h h PHE 377 Cb 0.11 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1i6h h PHE 377 CO -0.11 -0.30 0.47 1.25 -2.23 0.00 0.00 178.31 177.39 1i6h h LEU 378 N -0.61 0.00 0.20 0.59 5.85 -1.01 0.79 115.31 121.12 1i6h h LEU 378 Ca -0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1i6h h LEU 378 Cb 0.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1i6h h LEU 378 CO 0.09 0.00 -0.10 1.23 -0.34 0.00 0.00 178.44 179.33 1i6h h GLY 379 N 0.00 -0.28 0.08 3.75 0.00 0.44 -3.04 103.07 104.03 1i6h h GLY 379 Ca 0.10 0.11 0.20 0.00 0.00 0.00 0.00 47.33 47.74 1i6h h GLY 379 CO -0.00 -0.10 0.61 -1.82 0.00 0.00 0.00 176.54 175.23 1i6h h TYR 380 N -1.01 1.02 0.00 5.60 3.20 0.41 0.30 116.97 126.49 1i6h h TYR 380 Ca -0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1i6h h TYR 380 Cb 0.40 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1i6h h TYR 380 CO 0.05 0.20 -0.19 1.98 -1.64 0.00 0.00 178.16 178.56 1i6h h MET 381 N 0.71 0.00 0.00 1.82 4.05 -0.03 -1.24 114.93 120.23 1i6h h MET 381 Ca 0.59 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.90 1i6h h MET 381 Cb 0.99 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.77 1i6h h MET 381 CO -0.38 0.19 -1.10 0.82 0.23 0.00 0.00 176.91 176.67 1i6h h ILE 382 N 0.00 0.38 0.01 1.77 2.04 -0.35 -2.65 117.51 118.71 1i6h h ILE 382 Ca -0.00 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1i6h h ILE 382 Cb 0.48 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1i6h h ILE 382 CO 0.02 0.22 -0.01 -1.13 0.00 0.00 0.00 178.15 177.26 1i6h h ASN 383 N 0.00 -0.02 -0.27 1.72 -1.24 -0.49 -0.91 115.58 114.38 1i6h h ASN 383 Ca -0.09 -0.54 -0.05 0.00 0.71 0.00 0.00 56.30 56.33 1i6h h ASN 383 Cb 1.36 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.40 1i6h h ASN 383 CO 0.03 0.54 0.03 0.03 -1.29 0.00 0.00 177.43 176.77 1i6h h ARG 384 N -0.58 0.57 0.19 6.67 2.47 -1.37 -1.04 114.38 121.28 1i6h h ARG 384 Ca -0.00 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1i6h h ARG 384 Cb 0.56 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1i6h h ARG 384 CO 0.00 0.57 -0.12 1.25 0.56 0.00 0.00 179.97 182.23 1i6h h LEU 385 N 0.54 -0.30 -0.63 3.04 5.85 -1.31 -2.82 115.31 119.69 1i6h h LEU 385 Ca 0.12 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1i6h h LEU 385 Cb 0.31 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1i6h h LEU 385 CO 0.01 -0.19 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.65 1i6h h LEU 386 N -0.30 0.89 -0.78 2.25 3.38 -0.83 -2.53 115.31 117.39 1i6h h LEU 386 Ca -0.02 -0.32 0.16 0.00 0.09 0.00 0.00 57.88 57.80 1i6h h LEU 386 Cb 0.26 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 1i6h h LEU 386 CO 0.01 1.06 0.28 -0.07 0.09 0.00 0.00 178.44 179.81 1i6h h LEU 387 N 0.77 0.20 -1.08 1.67 4.07 -1.11 0.25 115.31 120.08 1i6h h LEU 387 Ca 0.11 0.13 -0.07 0.00 0.08 0.00 0.00 57.88 58.13 1i6h h LEU 387 Cb 0.73 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 1i6h h LEU 387 CO 0.06 0.04 -0.33 0.00 -1.08 0.00 0.00 178.44 177.13 1i6h n ALA 389 N -2.30 3.09 -0.14 0.00 0.00 0.60 -3.29 120.51 118.47 1i6h n ALA 389 Ca -0.00 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.28 1i6h n ALA 389 Cb 0.46 -1.23 0.24 0.00 0.00 0.00 0.00 19.45 18.93 1i6h n ALA 389 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1i6h n LEU 390 N -1.66 3.48 -3.01 0.00 4.77 0.47 -4.94 117.00 116.12 1i6h n LEU 390 Ca 0.05 -1.85 -0.22 0.00 -0.03 0.00 0.00 56.01 53.96 1i6h n LEU 390 Cb 0.36 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1i6h n LEU 390 CO 0.33 0.84 -0.05 0.47 -1.33 0.00 0.00 177.39 177.66 1i6h n ASP 391 N 1.26 -5.36 0.02 -1.43 9.92 -1.09 -4.79 116.55 115.07 1i6h n ASP 391 Ca 0.19 -0.25 0.10 0.00 -0.53 0.00 0.00 54.79 54.30 1i6h n ASP 391 Cb 0.55 -4.38 -0.12 0.00 -0.64 0.00 0.00 41.12 36.53 1i6h n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1i6h n ARG 392 N -3.78 0.65 -3.74 -1.24 1.74 -0.43 -4.92 116.66 104.94 1i6h n ARG 392 Ca -0.10 -0.10 -0.12 0.00 -0.77 0.00 0.00 57.85 56.76 1i6h n ARG 392 Cb 0.61 -1.61 -0.11 0.00 -1.02 0.00 0.00 32.46 30.33 1i6h n ARG 392 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1i6h s LYS 393 N -3.42 0.37 1.30 5.56 1.02 -1.11 -4.98 119.74 118.48 1i6h s LYS 393 Ca -0.06 0.54 -0.18 0.00 0.02 0.00 0.00 55.97 56.29 1i6h s LYS 393 Cb 0.12 0.10 0.31 0.00 -0.52 0.00 0.00 37.83 37.85 1i6h s LYS 393 CO 0.87 -0.09 0.81 -0.25 -0.92 0.00 0.00 175.35 175.78 1i6h n ASP 394 N 3.36 -3.01 -4.82 2.83 8.00 -1.26 -4.08 116.55 117.57 1i6h n ASP 394 Ca -0.17 -0.50 -0.30 0.00 0.71 0.00 0.00 54.79 54.53 1i6h n ASP 394 Cb 0.56 -1.08 0.06 0.00 -0.02 0.00 0.00 41.12 40.65 1i6h n ASP 394 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1i6h s GLN 395 N -4.52 2.59 -0.04 -1.24 0.74 -1.26 -4.82 119.66 111.12 1i6h s GLN 395 Ca 0.65 0.74 -0.29 0.00 0.05 0.00 0.00 55.36 56.50 1i6h s GLN 395 Cb -0.17 -1.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.94 1i6h s GLN 395 CO 0.60 -1.29 0.97 -0.51 -0.55 0.00 0.00 175.29 174.51 1i6h s ASP 396 N -3.94 7.30 -0.75 6.67 1.01 -0.56 -4.99 116.67 121.42 1i6h s ASP 396 Ca 0.59 1.58 -0.26 0.00 0.71 0.00 0.00 52.55 55.18 1i6h s ASP 396 Cb -0.14 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.24 1i6h s ASP 396 CO 0.54 -0.32 1.67 -0.62 0.21 0.00 0.00 175.17 176.66 1i6h s ASP 397 N 1.03 5.63 0.63 0.27 -1.08 -1.26 -4.88 116.67 117.01 1i6h s ASP 397 Ca 0.50 -0.27 0.34 0.00 -0.52 0.00 0.00 52.55 52.59 1i6h s ASP 397 Cb -0.20 -2.55 1.89 0.00 -1.46 0.00 0.00 42.92 40.61 1i6h s ASP 397 CO 0.24 -2.20 2.15 0.03 0.52 0.00 0.00 175.17 175.92 1i6h h ARG 398 N 12.34 0.00 -0.39 4.34 3.08 -1.98 -2.54 114.38 129.22 1i6h h ARG 398 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1i6h h ARG 398 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1i6h h ARG 398 CO 1.26 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.91 1i6h n ASP 399 N -3.40 2.34 -4.70 7.04 8.00 -1.26 -4.87 116.55 119.70 1i6h n ASP 399 Ca -0.01 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 1i6h n ASP 399 Cb 0.25 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1i6h n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1i6h s HIS 400 N -1.48 2.77 0.35 1.24 2.46 -0.96 -4.86 115.29 114.81 1i6h s HIS 400 Ca 0.31 0.61 0.10 0.00 0.47 0.00 0.00 55.06 56.55 1i6h s HIS 400 Cb 0.16 -3.82 0.64 0.00 -0.13 0.00 0.00 32.58 29.43 1i6h s HIS 400 CO 0.22 -3.14 1.80 0.35 -2.47 0.00 0.00 174.74 171.50 1i6h h PHE 401 N 7.73 0.13 0.00 3.88 3.57 -1.89 -2.66 116.94 127.70 1i6h h PHE 401 Ca -0.41 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1i6h h PHE 401 Cb 1.20 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1i6h h PHE 401 CO 0.73 0.45 0.00 0.41 -2.23 0.00 0.00 178.31 177.67 1i6h n GLY 402 N -0.44 -0.92 1.72 2.40 0.00 -1.26 -1.50 105.19 105.19 1i6h n GLY 402 Ca -0.02 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1i6h n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i6h n LYS 403 N -1.92 2.21 -3.99 1.61 5.02 -1.00 -4.70 118.16 115.39 1i6h n LYS 403 Ca 0.01 -3.09 -0.09 0.00 -2.02 0.00 0.00 58.31 53.12 1i6h n LYS 403 Cb 0.11 -2.02 -0.10 0.00 -0.02 0.00 0.00 35.03 33.00 1i6h n LYS 403 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1i6h s LYS 404 N -3.24 0.51 0.27 1.97 1.02 -0.56 -1.16 119.74 118.54 1i6h s LYS 404 Ca 0.51 -0.84 0.11 0.00 0.02 0.00 0.00 55.97 55.77 1i6h s LYS 404 Cb 0.44 0.19 -0.05 0.00 -0.52 0.00 0.00 37.83 37.89 1i6h s LYS 404 CO 0.06 -0.11 -0.17 1.03 -0.92 0.00 0.00 175.35 175.24 1i6h s ARG 405 N -2.63 1.61 -0.25 1.68 1.81 0.33 -4.66 118.95 116.84 1i6h s ARG 405 Ca -0.05 -1.75 0.02 0.00 -1.72 0.00 0.00 55.73 52.24 1i6h s ARG 405 Cb -0.01 -1.59 0.05 0.00 -0.45 0.00 0.00 34.95 32.95 1i6h s ARG 405 CO -0.05 0.27 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.21 1i6h s LEU 406 N -3.47 3.25 -0.52 2.53 1.43 -0.38 -1.02 118.68 120.51 1i6h s LEU 406 Ca 0.28 -1.25 -0.27 0.00 -1.03 0.00 0.00 54.13 51.86 1i6h s LEU 406 Cb -0.03 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.67 1i6h s LEU 406 CO 0.13 -0.16 1.06 -1.81 0.23 0.00 0.00 176.35 175.80 1i6h s ASP 407 N 1.15 6.49 0.75 2.29 1.01 0.39 -4.59 116.67 124.16 1i6h s ASP 407 Ca -0.06 0.12 -0.00 0.00 0.71 0.00 0.00 52.55 53.32 1i6h s ASP 407 Cb -0.19 -2.50 0.15 0.00 1.01 0.00 0.00 42.92 41.39 1i6h s ASP 407 CO -0.06 -1.26 1.03 -0.11 0.21 0.00 0.00 175.17 174.98 1i6h n LEU 408 N 7.76 0.00 -0.21 1.23 7.94 -1.26 -0.55 117.00 131.91 1i6h n LEU 408 Ca 0.08 -2.17 -0.06 0.00 -1.11 0.00 0.00 56.01 52.75 1i6h n LEU 408 Cb 0.49 -0.67 -0.05 0.00 0.53 0.00 0.00 43.42 43.72 1i6h n LEU 408 CO 0.68 -1.00 0.41 0.00 -1.11 0.00 0.00 177.39 176.36 1i6h n ALA 409 N -2.91 -0.33 -0.98 1.96 0.00 -1.26 -2.47 120.51 114.53 1i6h n ALA 409 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1i6h n ALA 409 Cb 0.61 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1i6h n ALA 409 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6h n GLY 410 N -1.13 -2.50 0.63 0.00 0.00 -1.26 -0.68 105.19 100.25 1i6h n GLY 410 Ca 0.01 0.53 0.43 0.00 0.00 0.00 0.00 46.02 46.99 1i6h n GLY 410 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1i6h h PRO 411 N 0.00 0.00 -0.02 1.61 0.11 -1.87 1.06 132.00 132.89 1i6h h PRO 411 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1i6h h PRO 411 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1i6h h PRO 411 CO 0.00 0.00 -0.37 -0.07 -0.21 0.00 0.00 178.00 177.35 1i6h h LEU 412 N 0.00 0.36 -1.12 2.35 3.38 -0.90 0.20 115.31 119.58 1i6h h LEU 412 Ca 0.74 -0.74 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1i6h h LEU 412 Cb 3.29 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 43.88 1i6h h LEU 412 CO -0.01 1.04 0.60 -0.07 0.09 0.00 0.00 178.44 180.10 1i6h h LEU 413 N -0.30 0.96 -0.49 1.67 3.38 0.33 -0.76 115.31 120.11 1i6h h LEU 413 Ca -0.04 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1i6h h LEU 413 Cb 1.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 1i6h h LEU 413 CO 0.07 0.64 0.30 0.00 0.09 0.00 0.00 178.44 179.54 1i6h h ALA 414 N 1.48 0.63 -0.99 1.53 0.00 -0.70 0.18 119.26 121.39 1i6h h ALA 414 Ca 0.38 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.41 1i6h h ALA 414 Cb 0.10 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.59 1i6h h ALA 414 CO -0.13 0.12 0.59 1.96 0.00 0.00 0.00 179.25 181.79 1i6h h GLN 415 N 0.66 0.73 0.07 0.00 4.20 0.54 -2.78 115.11 118.54 1i6h h GLN 415 Ca 0.18 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1i6h h GLN 415 Cb -0.01 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.61 1i6h h GLN 415 CO -0.03 0.48 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.51 1i6h h LEU 416 N 0.75 -0.08 -0.71 1.46 3.38 -0.91 -3.28 115.31 115.92 1i6h h LEU 416 Ca 0.56 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.75 1i6h h LEU 416 Cb 0.86 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.50 1i6h h LEU 416 CO -0.38 0.14 0.08 0.33 0.09 0.00 0.00 178.44 178.70 1i6h n PHE 417 N -3.39 0.52 0.02 1.13 7.35 0.57 0.07 117.46 123.72 1i6h n PHE 417 Ca -0.01 0.86 -0.01 0.00 -0.76 0.00 0.00 57.45 57.53 1i6h n PHE 417 Cb 0.04 -1.08 -0.00 0.00 0.35 0.00 0.00 39.48 38.79 1i6h n PHE 417 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1i6h h LYS 418 N 0.00 -0.04 -1.27 -4.13 1.57 -1.66 1.13 116.57 112.17 1i6h h LYS 418 Ca 0.46 0.00 0.37 0.00 -1.87 0.00 0.00 60.65 59.61 1i6h h LYS 418 Cb 1.01 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 1i6h h LYS 418 CO -0.65 -0.03 1.25 1.15 -0.57 0.00 0.00 179.45 180.60 1i6h h THR 419 N -0.05 0.02 0.07 -0.16 2.02 -0.58 0.55 112.91 114.77 1i6h h THR 419 Ca -0.00 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.83 1i6h h THR 419 Cb 0.03 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 1i6h h THR 419 CO 0.01 0.00 -1.97 0.18 0.37 0.00 0.00 175.52 174.11 1i6h n LEU 420 N -3.45 2.47 0.28 2.58 4.77 0.11 -3.65 117.00 120.11 1i6h n LEU 420 Ca 0.28 0.21 0.15 0.00 -0.03 0.00 0.00 56.01 56.62 1i6h n LEU 420 Cb 1.63 -1.03 0.83 0.00 -2.33 0.00 0.00 43.42 42.52 1i6h n LEU 420 CO 0.29 0.72 1.03 0.15 -1.33 0.00 0.00 177.39 178.25 1i6h h PHE 421 N -0.27 0.00 0.43 -1.77 3.57 0.61 -2.04 116.94 117.47 1i6h h PHE 421 Ca -0.46 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1i6h h PHE 421 Cb 1.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.56 1i6h h PHE 421 CO 0.06 0.07 -0.20 0.87 -2.23 0.00 0.00 178.31 176.88 1i6h h LYS 422 N 0.00 -0.55 -1.08 1.11 1.57 -0.54 -1.94 116.57 115.13 1i6h h LYS 422 Ca -0.00 0.04 0.30 0.00 -1.87 0.00 0.00 60.65 59.12 1i6h h LYS 422 Cb 0.26 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1i6h h LYS 422 CO 0.01 -0.24 0.74 0.87 -0.57 0.00 0.00 179.45 180.26 1i6h h LYS 423 N -0.96 0.17 0.66 3.15 1.57 -1.46 0.30 116.57 120.01 1i6h h LYS 423 Ca -0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1i6h h LYS 423 Cb 0.56 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1i6h h LYS 423 CO 0.10 0.12 -0.32 1.25 -0.57 0.00 0.00 179.45 180.02 1i6h h LEU 424 N 0.18 -0.75 0.00 2.94 5.85 -1.21 -0.58 115.31 121.73 1i6h h LEU 424 Ca 0.56 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.31 1i6h h LEU 424 Cb 1.85 0.20 0.00 0.00 0.37 0.00 0.00 40.66 43.08 1i6h h LEU 424 CO -0.14 -0.39 0.00 0.41 -0.34 0.00 0.00 178.44 177.98 1i6h n THR 425 N -5.23 0.00 0.08 1.05 -1.04 -0.04 -0.33 114.28 108.77 1i6h n THR 425 Ca -0.11 1.45 0.21 0.00 -2.04 0.00 0.00 64.05 63.55 1i6h n THR 425 Cb 0.35 -1.99 0.74 0.00 -1.82 0.00 0.00 70.33 67.61 1i6h n THR 425 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1i6h h LYS 426 N 0.00 0.00 0.01 -2.82 2.10 -1.27 0.63 116.57 115.22 1i6h h LYS 426 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1i6h h LYS 426 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1i6h h LYS 426 CO 0.00 0.00 -0.87 -0.44 -2.00 0.00 0.00 179.45 176.14 1i6h h ASP 427 N 0.00 0.15 0.05 7.07 3.32 0.87 -2.16 116.42 125.73 1i6h h ASP 427 Ca 0.20 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 1i6h h ASP 427 Cb 1.10 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1i6h h ASP 427 CO -0.00 0.95 -0.66 0.40 -1.72 0.00 0.00 179.24 178.21 1i6h h ILE 428 N 0.06 1.33 0.75 0.35 2.04 0.32 -2.44 117.51 119.92 1i6h h ILE 428 Ca -0.03 -1.95 -0.04 0.00 1.00 0.00 0.00 64.86 63.85 1i6h h ILE 428 Cb 1.51 1.92 0.01 0.00 -0.74 0.00 0.00 36.82 39.52 1i6h h ILE 428 CO 0.13 0.60 -0.37 0.15 0.00 0.00 0.00 178.15 178.66 1i6h h PHE 429 N 0.41 -0.96 -1.05 1.37 3.57 -1.06 -1.87 116.94 117.34 1i6h h PHE 429 Ca -0.02 -0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.76 1i6h h PHE 429 Cb 1.23 0.32 -0.12 0.00 2.79 0.00 0.00 35.95 40.17 1i6h h PHE 429 CO 0.05 -0.59 0.64 0.00 -2.23 0.00 0.00 178.31 176.19 1i6h h ARG 430 N -1.02 0.39 -0.06 1.11 3.08 -1.37 0.27 114.38 116.77 1i6h h ARG 430 Ca -0.10 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1i6h h ARG 430 Cb 0.79 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 1i6h h ARG 430 CO 0.16 0.26 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.19 1i6h h TYR 431 N 0.40 -0.56 -0.41 3.04 3.20 -0.84 -2.31 116.97 119.48 1i6h h TYR 431 Ca 0.67 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.51 1i6h h TYR 431 Cb 1.59 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 40.10 1i6h h TYR 431 CO -0.01 -0.30 0.03 0.52 -1.64 0.00 0.00 178.16 176.77 1i6h h MET 432 N -0.31 0.70 -0.83 1.82 2.86 -0.15 -2.64 114.93 116.39 1i6h h MET 432 Ca 0.08 -0.21 0.17 0.00 -2.06 0.00 0.00 59.70 57.68 1i6h h MET 432 Cb 0.42 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 1i6h h MET 432 CO -0.24 0.77 0.55 1.96 1.06 0.00 0.00 176.91 181.01 1i6h h GLN 433 N 0.54 0.43 -0.57 1.72 4.20 -0.95 0.65 115.11 121.13 1i6h h GLN 433 Ca 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1i6h h GLN 433 Cb 0.44 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1i6h h GLN 433 CO 0.02 0.29 0.00 0.54 -0.67 0.00 0.00 178.83 179.00 1i6h n ARG 434 N -4.50 2.55 -3.45 1.46 1.74 -0.89 -4.48 116.66 109.09 1i6h n ARG 434 Ca 0.17 -2.03 -0.27 0.00 -0.77 0.00 0.00 57.85 54.95 1i6h n ARG 434 Cb 0.59 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.40 1i6h n ARG 434 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1i6h n THR 435 N 0.99 1.99 0.00 0.55 -1.04 0.23 -4.97 114.28 112.03 1i6h n THR 435 Ca 0.19 -5.07 0.00 0.00 -2.04 0.00 0.00 64.05 57.13 1i6h n THR 435 Cb 0.55 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 1i6h n THR 435 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1i6h n VAL 436 N 1.03 0.00 0.00 12.58 0.31 -1.26 -4.90 118.33 126.09 1i6h n VAL 436 Ca 0.28 1.19 0.00 0.00 -0.01 0.00 0.00 64.34 65.80 1i6h n VAL 436 Cb 0.41 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1i6h n VAL 436 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i6h n GLU 437 N -1.20 0.00 0.00 5.55 1.02 -1.26 -5.13 120.64 119.62 1i6h n GLU 437 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1i6h n GLU 437 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1i6h n GLU 437 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1i6h n LEU 446 N 0.00 0.00 0.00 -4.62 -0.00 -1.26 -5.33 117.00 105.79 1i6h n LEU 446 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1i6h n LEU 446 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1i6h n LEU 446 CO 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1i6h n ALA 447 N 0.78 0.00 -2.63 1.47 0.00 -1.26 -5.07 120.51 113.80 1i6h n ALA 447 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1i6h n ALA 447 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1i6h n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i6h s ILE 448 N -2.00 5.13 -1.16 0.00 1.01 -1.26 -4.86 121.20 118.05 1i6h s ILE 448 Ca 0.00 0.77 -0.13 0.00 0.00 0.00 0.00 60.65 61.29 1i6h s ILE 448 Cb 0.00 -3.77 0.19 0.00 0.01 0.00 0.00 42.46 38.89 1i6h s ILE 448 CO 0.00 0.16 1.34 0.21 0.00 0.00 0.00 174.94 176.64 1i6h s ASN 449 N 1.39 7.09 0.56 3.58 2.47 -1.26 -4.86 114.94 123.91 1i6h s ASN 449 Ca 0.19 -3.05 0.28 0.00 0.42 0.00 0.00 52.86 50.71 1i6h s ASN 449 Cb -0.15 -2.36 1.52 0.00 -1.45 0.00 0.00 41.25 38.81 1i6h s ASN 449 CO 0.09 -0.67 1.83 0.00 -3.72 0.00 0.00 177.10 174.63 1i6h h ALA 450 N 7.18 1.22 -0.07 1.71 0.00 -1.95 -1.65 119.26 125.69 1i6h h ALA 450 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1i6h h ALA 450 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1i6h h ALA 450 CO 1.18 -0.22 -0.21 -0.22 0.00 0.00 0.00 179.25 179.79 1i6h h LYS 451 N 0.00 0.12 -0.81 0.00 3.11 -1.98 -1.97 116.57 115.04 1i6h h LYS 451 Ca 0.00 -0.03 0.10 0.00 -2.81 0.00 0.00 60.65 57.91 1i6h h LYS 451 Cb 0.47 -0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 31.61 1i6h h LYS 451 CO 0.00 0.33 0.45 1.15 -2.81 0.00 0.00 179.45 178.57 1i6h h THR 452 N 0.12 0.87 0.00 1.00 2.02 -1.70 0.56 112.91 115.77 1i6h h THR 452 Ca 0.02 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1i6h h THR 452 Cb 0.44 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1i6h h THR 452 CO 0.03 0.13 -0.36 0.40 0.37 0.00 0.00 175.52 176.09 1i6h h ILE 453 N 0.74 1.13 0.04 3.11 2.04 -1.72 -2.17 117.51 120.68 1i6h h ILE 453 Ca 0.40 -1.97 0.03 0.00 1.00 0.00 0.00 64.86 64.32 1i6h h ILE 453 Cb 0.41 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 1i6h h ILE 453 CO -0.27 0.38 -0.28 0.74 0.00 0.00 0.00 178.15 178.72 1i6h h THR 454 N -1.00 0.38 0.00 -0.27 2.02 -1.27 -1.74 112.91 111.03 1i6h h THR 454 Ca -0.09 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1i6h h THR 454 Cb 0.87 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1i6h h THR 454 CO -0.05 0.00 -0.11 0.77 0.37 0.00 0.00 175.52 176.50 1i6h h SER 455 N -0.45 0.00 0.71 4.18 4.64 -0.05 -3.07 113.55 119.50 1i6h h SER 455 Ca 0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1i6h h SER 455 Cb 0.52 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1i6h h SER 455 CO -0.21 0.11 -0.34 1.23 -0.87 0.00 0.00 176.83 176.74 1i6h h GLY 456 N 2.15 -1.00 0.63 -0.77 0.00 -0.65 -2.72 103.07 100.73 1i6h h GLY 456 Ca -0.00 0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.77 1i6h h GLY 456 CO 0.01 -0.36 0.43 1.41 0.00 0.00 0.00 176.54 178.03 1i6h h LEU 457 N -1.02 0.63 0.70 3.11 3.38 -1.40 -3.01 115.31 117.71 1i6h h LEU 457 Ca -0.10 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1i6h h LEU 457 Cb 0.75 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1i6h h LEU 457 CO 0.16 0.39 -0.46 0.11 0.09 0.00 0.00 178.44 178.73 1i6h h LYS 458 N 0.76 -1.05 -1.38 1.13 1.57 -1.53 -0.16 116.57 115.91 1i6h h LYS 458 Ca 0.34 0.07 0.40 0.00 -1.87 0.00 0.00 60.65 59.59 1i6h h LYS 458 Cb 0.24 0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 1i6h h LYS 458 CO -0.20 -0.70 1.13 -0.92 -0.57 0.00 0.00 179.45 178.19 1i6h h TYR 459 N -1.09 0.00 0.00 -1.35 3.20 -1.35 0.89 116.97 117.28 1i6h h TYR 459 Ca -0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1i6h h TYR 459 Cb 0.88 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.15 1i6h h TYR 459 CO -0.11 0.00 -0.14 0.00 -1.64 0.00 0.00 178.16 176.27 1i6h h ALA 460 N 1.03 0.00 -0.35 1.82 0.00 -1.37 -2.33 119.26 118.06 1i6h h ALA 460 Ca 0.65 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.45 1i6h h ALA 460 Cb 2.92 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.83 1i6h h ALA 460 CO -0.01 0.14 0.53 -0.07 0.00 0.00 0.00 179.25 179.84 1i6h h LEU 461 N -0.46 0.00 0.09 0.00 4.07 -0.03 0.99 115.31 119.96 1i6h h LEU 461 Ca 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.64 1i6h h LEU 461 Cb 0.14 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1i6h h LEU 461 CO 0.00 0.00 -1.74 0.00 -1.08 0.00 0.00 178.44 175.62 1i6h h ALA 462 N 1.27 0.45 0.01 1.53 0.00 0.65 -3.43 119.26 119.74 1i6h h ALA 462 Ca 0.17 -1.29 -0.42 0.00 0.00 0.00 0.00 54.91 53.37 1i6h h ALA 462 Cb 1.22 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1i6h h ALA 462 CO -0.00 1.31 -2.40 2.41 0.00 0.00 0.00 179.25 180.56 1i6h n THR 463 N -3.37 1.53 0.00 0.00 -1.04 -0.06 -5.01 114.28 106.33 1i6h n THR 463 Ca -0.22 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1i6h n THR 463 Cb 1.05 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 1i6h n THR 463 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1i6h n GLY 464 N 1.70 1.00 2.95 3.41 0.00 0.14 -4.89 105.19 109.51 1i6h n GLY 464 Ca -0.48 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1i6h n GLY 464 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i6h n ASN 465 N 0.00 4.60 0.00 1.61 3.02 -1.26 -1.70 115.26 121.54 1i6h n ASN 465 Ca 0.00 -3.25 -0.00 0.00 -0.03 0.00 0.00 54.58 51.30 1i6h n ASN 465 Cb 0.00 -1.03 -0.00 0.00 -0.61 0.00 0.00 39.78 38.14 1i6h n ASN 465 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1i6h h TRP 466 N 5.51 -0.01 0.00 3.10 -0.00 -1.93 -3.45 115.95 119.17 1i6h h TRP 466 Ca 0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.07 1i6h h TRP 466 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.90 1i6h h TRP 466 CO 0.78 -0.00 0.00 0.41 -0.00 0.00 0.00 178.44 179.62 1i6h n GLY 467 N -1.00 0.25 0.00 1.49 0.00 -1.26 -5.06 105.19 99.60 1i6h n GLY 467 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1i6h n GLY 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6h n ALA 477 N 0.00 0.00 0.00 4.61 0.00 -0.92 -5.19 120.51 119.01 1i6h n ALA 477 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i6h n ALA 477 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1i6h n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i6h n GLY 478 N 0.00 1.13 3.58 0.00 0.00 -0.69 -5.05 105.19 104.17 1i6h n GLY 478 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1i6h n GLY 478 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6h s VAL 479 N -2.15 2.08 -0.11 1.61 1.01 -1.19 -4.61 120.40 117.05 1i6h s VAL 479 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 1i6h s VAL 479 Cb 0.00 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1i6h s VAL 479 CO 0.00 -0.04 0.12 -0.24 0.00 0.00 0.00 175.10 174.94 1i6h n SER 480 N -4.56 -4.22 -4.38 3.32 2.88 -1.20 -4.03 113.62 101.43 1i6h n SER 480 Ca 0.04 1.14 -0.20 0.00 -1.33 0.00 0.00 58.87 58.52 1i6h n SER 480 Cb 0.55 -3.49 -0.10 0.00 -0.75 0.00 0.00 64.21 60.42 1i6h n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1i6h s GLN 481 N -0.46 1.43 -0.27 -1.46 -0.21 -0.35 -4.39 119.66 113.94 1i6h s GLN 481 Ca -0.14 -1.63 -0.28 0.00 0.02 0.00 0.00 55.36 53.33 1i6h s GLN 481 Cb 0.01 -1.33 -0.03 0.00 1.00 0.00 0.00 33.01 32.66 1i6h s GLN 481 CO 0.42 0.24 1.90 0.08 -2.12 0.00 0.00 175.29 175.80 1i6h s VAL 482 N -2.75 3.36 0.31 1.09 1.01 -1.26 -0.22 120.40 121.93 1i6h s VAL 482 Ca 0.24 0.37 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 1i6h s VAL 482 Cb -0.02 -3.45 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 1i6h s VAL 482 CO 0.09 -0.27 0.57 -0.11 0.00 0.00 0.00 175.10 175.39 1i6h n LEU 483 N 10.33 -0.48 -4.76 3.92 7.94 0.11 -4.88 117.00 129.17 1i6h n LEU 483 Ca 0.24 1.04 -0.39 0.00 -1.11 0.00 0.00 56.01 55.79 1i6h n LEU 483 Cb 0.46 -1.06 -0.06 0.00 0.53 0.00 0.00 43.42 43.29 1i6h n LEU 483 CO 0.67 -2.78 0.68 0.21 -1.11 0.00 0.00 177.39 175.06 1i6h s ASN 484 N -0.89 7.48 -0.14 1.96 2.47 -1.26 -4.97 114.94 119.58 1i6h s ASN 484 Ca 0.62 1.99 0.21 0.00 0.42 0.00 0.00 52.86 56.10 1i6h s ASN 484 Cb -0.75 -2.61 0.42 0.00 -1.45 0.00 0.00 41.25 36.86 1i6h s ASN 484 CO 0.58 0.03 1.17 -1.14 -3.72 0.00 0.00 177.10 174.02 1i6h n ARG 485 N 1.18 0.87 0.04 0.43 3.00 -1.26 -4.02 116.66 116.89 1i6h n ARG 485 Ca -0.01 -2.46 -0.22 0.00 -0.00 0.00 0.00 57.85 55.17 1i6h n ARG 485 Cb 0.47 -0.59 -0.14 0.00 0.00 0.00 0.00 32.46 32.20 1i6h n ARG 485 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.63 179.51 1i6h h TYR 486 N 1.58 0.55 -3.89 -0.14 -1.99 -1.92 -3.46 116.97 107.70 1i6h h TYR 486 Ca -0.25 -0.40 -0.28 0.00 2.00 0.00 0.00 58.73 59.80 1i6h h TYR 486 Cb 1.53 -0.02 -0.26 0.00 2.00 0.00 0.00 36.73 39.97 1i6h h TYR 486 CO 0.25 1.50 -0.74 0.99 -0.00 0.00 0.00 178.16 180.17 1i6h s THR 487 N -2.49 0.34 0.43 -2.88 2.01 -1.26 -4.48 115.64 107.31 1i6h s THR 487 Ca -0.17 -0.42 0.27 0.00 0.31 0.00 0.00 61.69 61.69 1i6h s THR 487 Cb 0.03 -0.33 0.46 0.00 0.01 0.00 0.00 72.50 72.68 1i6h s THR 487 CO 0.81 -0.06 1.65 0.22 -0.69 0.00 0.00 174.62 176.55 1i6h h TYR 488 N 5.61 0.55 0.00 4.92 3.20 -1.76 0.95 116.97 130.44 1i6h h TYR 488 Ca -0.29 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.45 1i6h h TYR 488 Cb 1.20 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 1i6h h TYR 488 CO 0.48 -0.16 -0.73 0.66 -1.64 0.00 0.00 178.16 176.77 1i6h h SER 489 N 0.15 0.00 -0.33 -2.11 4.64 -1.90 -2.88 113.55 111.12 1i6h h SER 489 Ca 0.77 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.08 1i6h h SER 489 Cb 2.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.42 1i6h h SER 489 CO -0.40 0.73 0.17 0.77 -0.87 0.00 0.00 176.83 177.23 1i6h h SER 490 N 0.00 0.42 -0.48 4.97 4.64 0.67 0.10 113.55 123.87 1i6h h SER 490 Ca -0.01 -0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 1i6h h SER 490 Cb 1.47 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.42 1i6h h SER 490 CO 0.09 0.40 0.26 0.74 -0.87 0.00 0.00 176.83 177.45 1i6h h THR 491 N 0.40 0.99 0.05 2.95 2.02 -1.44 0.17 112.91 118.05 1i6h h THR 491 Ca 0.11 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1i6h h THR 491 Cb 0.09 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1i6h h THR 491 CO -0.02 0.09 -0.07 -0.07 0.37 0.00 0.00 175.52 175.83 1i6h h LEU 492 N 0.51 -0.19 -1.83 2.58 3.38 -1.25 -1.59 115.31 116.93 1i6h h LEU 492 Ca 0.20 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1i6h h LEU 492 Cb 0.08 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1i6h h LEU 492 CO -0.12 -0.11 0.17 -1.28 0.09 0.00 0.00 178.44 177.19 1i6h h SER 493 N -0.15 0.20 -0.12 -0.43 0.87 -0.10 -1.91 113.55 111.91 1i6h h SER 493 Ca 0.01 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.46 1i6h h SER 493 Cb 0.15 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1i6h h SER 493 CO -0.04 0.14 -0.36 -0.74 -0.53 0.00 0.00 176.83 175.30 1i6h h HIS 494 N 0.23 0.59 0.00 2.24 -0.00 -0.06 -3.04 115.15 115.12 1i6h h HIS 494 Ca 0.10 -0.24 -0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1i6h h HIS 494 Cb 0.13 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1i6h h HIS 494 CO -0.00 0.97 -0.00 -0.07 -0.00 0.00 0.00 177.93 178.83 1i6h h LEU 495 N 0.05 0.00 -3.64 0.26 3.38 -0.57 -2.34 115.31 112.44 1i6h h LEU 495 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 1i6h h LEU 495 Cb 0.98 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.57 1i6h h LEU 495 CO 0.08 0.00 0.24 0.54 0.09 0.00 0.00 178.44 179.39 1i6h n ARG 496 N -3.12 2.76 -2.75 1.13 1.74 -0.79 -4.90 116.66 110.73 1i6h n ARG 496 Ca -0.02 -3.07 -0.28 0.00 -0.77 0.00 0.00 57.85 53.71 1i6h n ARG 496 Cb 0.12 -2.06 -0.01 0.00 -1.02 0.00 0.00 32.46 29.50 1i6h n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1i6h s ARG 497 N -3.12 3.62 -0.01 5.56 3.52 -0.88 -1.37 118.95 126.26 1i6h s ARG 497 Ca 0.51 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.38 1i6h s ARG 497 Cb 0.43 -2.40 0.01 0.00 -1.56 0.00 0.00 34.95 31.43 1i6h s ARG 497 CO 0.09 -0.13 0.00 0.99 -0.81 0.00 0.00 175.30 175.44 1i6h s THR 498 N -2.59 0.07 0.06 4.11 2.01 0.10 -3.35 115.64 116.05 1i6h s THR 498 Ca 0.48 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.61 1i6h s THR 498 Cb -0.10 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 1i6h s THR 498 CO 0.40 0.07 -0.22 0.21 -0.69 0.00 0.00 174.62 174.39 1i6h s ASN 499 N 0.48 2.64 -0.35 3.53 2.47 -0.40 -0.05 114.94 123.26 1i6h s ASN 499 Ca -0.04 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 52.67 1i6h s ASN 499 Cb -0.07 -0.21 0.11 0.00 -1.45 0.00 0.00 41.25 39.64 1i6h s ASN 499 CO -0.01 0.16 0.14 -0.89 -3.72 0.00 0.00 177.10 172.79 1i6h s THR 500 N -0.86 1.04 1.02 -5.21 2.01 -1.14 -0.86 115.64 111.64 1i6h s THR 500 Ca 0.08 -1.78 -0.14 0.00 0.31 0.00 0.00 61.69 60.16 1i6h s THR 500 Cb -0.09 -1.76 0.15 0.00 0.01 0.00 0.00 72.50 70.81 1i6h s THR 500 CO 0.02 -0.75 0.24 -0.81 -0.69 0.00 0.00 174.62 172.63 1i6h n PRO 501 N 4.41 -2.15 0.00 4.92 -0.04 -1.26 -4.90 135.00 135.98 1i6h n PRO 501 Ca 0.02 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 1i6h n PRO 501 Cb 0.40 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1i6h n PRO 501 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1i6h n ILE 502 N -4.39 0.00 -0.16 0.52 5.41 -1.26 -5.14 119.36 114.35 1i6h n ILE 502 Ca 0.05 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.69 1i6h n ILE 502 Cb 0.39 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.32 1i6h n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i6h h ALA 509 N -0.68 0.65 -3.57 -1.39 0.00 -1.99 -3.53 119.26 108.74 1i6h h ALA 509 Ca 0.00 -0.37 -0.67 0.00 0.00 0.00 0.00 54.91 53.87 1i6h h ALA 509 Cb 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 17.79 17.25 1i6h h ALA 509 CO 0.00 0.60 -0.69 0.15 0.00 0.00 0.00 179.25 179.31 1i6h s LYS 510 N -4.71 1.73 0.00 0.00 1.02 -1.26 -4.99 119.74 111.54 1i6h s LYS 510 Ca -0.12 -1.77 0.14 0.00 0.02 0.00 0.00 55.97 54.24 1i6h s LYS 510 Cb 0.12 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.08 1i6h s LYS 510 CO 0.86 -0.91 0.68 -0.35 -0.92 0.00 0.00 175.35 174.70 1i6h n PRO 511 N 4.37 2.14 0.00 -1.68 -0.04 -1.26 -4.43 135.00 134.10 1i6h n PRO 511 Ca -0.00 -0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.26 1i6h n PRO 511 Cb 0.42 -1.19 0.08 0.00 -0.04 0.00 0.00 33.50 32.78 1i6h n PRO 511 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1i6h n ARG 512 N -0.84 2.08 -2.42 0.54 1.85 -1.26 -4.65 116.66 111.95 1i6h n ARG 512 Ca 0.04 -1.76 -0.40 0.00 -1.00 0.00 0.00 57.85 54.73 1i6h n ARG 512 Cb 0.25 -1.44 -0.04 0.00 -1.05 0.00 0.00 32.46 30.19 1i6h n ARG 512 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1i6h s GLN 513 N -1.96 4.54 0.15 2.89 2.00 -1.26 -4.37 119.66 121.65 1i6h s GLN 513 Ca 0.26 1.85 -0.30 0.00 -2.00 0.00 0.00 55.36 55.16 1i6h s GLN 513 Cb 0.19 -3.10 -0.08 0.00 0.80 0.00 0.00 33.01 30.82 1i6h s GLN 513 CO 0.32 0.10 1.27 -1.17 -0.50 0.00 0.00 175.29 175.32 1i6h s LEU 514 N -1.63 4.41 -0.05 3.68 2.96 -1.26 -4.98 118.68 121.81 1i6h s LEU 514 Ca 0.47 2.27 0.05 0.00 -0.22 0.00 0.00 54.13 56.70 1i6h s LEU 514 Cb -0.32 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.75 1i6h s LEU 514 CO 0.42 -0.50 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.47 1i6h s HIS 515 N 0.43 2.56 0.02 5.38 5.65 -1.26 -5.04 115.29 123.02 1i6h s HIS 515 Ca 0.58 -0.38 -0.03 0.00 0.25 0.00 0.00 55.06 55.48 1i6h s HIS 515 Cb -0.34 -1.61 -0.01 0.00 -1.18 0.00 0.00 32.58 29.45 1i6h s HIS 515 CO 0.35 0.02 0.47 0.09 -0.65 0.00 0.00 174.74 175.02 1i6h n ASN 516 N 2.56 -0.10 0.23 9.88 3.02 -1.26 0.21 115.26 129.81 1i6h n ASN 516 Ca -0.17 0.50 0.14 0.00 -0.03 0.00 0.00 54.58 55.02 1i6h n ASN 516 Cb 0.52 -0.19 0.58 0.00 -0.61 0.00 0.00 39.78 40.08 1i6h n ASN 516 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1i6h h THR 517 N 0.00 0.07 0.00 3.41 1.35 -1.96 0.24 112.91 116.02 1i6h h THR 517 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.85 1i6h h THR 517 Cb 0.04 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1i6h h THR 517 CO -0.09 0.00 -0.10 0.45 -0.25 0.00 0.00 175.52 175.53 1i6h h HIS 518 N 0.00 0.00 -1.88 4.73 3.86 0.21 -3.43 115.15 118.63 1i6h h HIS 518 Ca 0.09 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.64 1i6h h HIS 518 Cb 1.27 0.00 0.06 0.00 1.06 0.00 0.00 27.41 29.80 1i6h h HIS 518 CO 0.00 0.10 0.46 1.87 0.86 0.00 0.00 177.93 181.22 1i6h n TRP 519 N -3.84 1.59 0.00 2.45 -0.00 0.07 -0.70 117.44 117.01 1i6h n TRP 519 Ca -0.02 0.59 0.00 0.00 -0.00 0.00 0.00 57.50 58.07 1i6h n TRP 519 Cb 0.20 -2.35 0.00 0.00 -0.00 0.00 0.00 31.31 29.15 1i6h n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i6h n GLY 520 N 2.48 2.91 0.30 5.87 0.00 -1.26 -4.82 105.19 110.68 1i6h n GLY 520 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1i6h n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6h n LEU 521 N 0.00 1.62 -4.59 0.99 4.77 0.12 -4.71 117.00 115.21 1i6h n LEU 521 Ca 0.00 0.28 -0.32 0.00 -0.03 0.00 0.00 56.01 55.94 1i6h n LEU 521 Cb 0.00 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.32 1i6h n LEU 521 CO 0.00 0.36 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.34 1i6h s VAL 522 N -2.46 3.60 0.16 4.08 1.01 -0.91 -0.73 120.40 125.15 1i6h s VAL 522 Ca -0.31 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.55 1i6h s VAL 522 Cb 0.11 -2.57 -0.11 0.00 0.00 0.00 0.00 36.38 33.81 1i6h s VAL 522 CO 0.39 0.38 1.78 0.00 0.00 0.00 0.00 175.10 177.65 1i6h h PRO 524 N 7.86 0.00 0.00 0.00 0.13 -1.91 -3.38 132.00 134.70 1i6h h PRO 524 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1i6h h PRO 524 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1i6h h PRO 524 CO 0.95 0.26 -0.75 0.00 -0.23 0.00 0.00 178.00 178.23 1i6h n ALA 525 N -2.37 0.66 -1.56 -0.56 0.00 -1.26 -4.96 120.51 110.47 1i6h n ALA 525 Ca -0.02 -0.68 -0.56 0.00 0.00 0.00 0.00 53.44 52.19 1i6h n ALA 525 Cb 0.35 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 1i6h n ALA 525 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1i6h n GLU 526 N -3.98 0.91 -3.64 0.00 2.13 -1.26 -4.60 120.64 110.19 1i6h n GLU 526 Ca -0.11 0.30 -0.03 0.00 0.66 0.00 0.00 57.16 57.98 1i6h n GLU 526 Cb 0.39 -2.10 -0.06 0.00 0.27 0.00 0.00 31.44 29.94 1i6h n GLU 526 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1i6h s THR 527 N 5.12 0.00 0.63 6.31 -1.32 -1.26 -4.37 115.64 120.76 1i6h s THR 527 Ca 1.06 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 61.38 1i6h s THR 527 Cb -1.09 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.89 1i6h s THR 527 CO 0.61 0.00 1.11 -2.16 -2.21 0.00 0.00 174.62 171.97 1i6h s PRO 528 N -0.39 2.94 0.50 7.08 0.04 -1.26 -4.85 135.00 139.06 1i6h s PRO 528 Ca 0.07 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1i6h s PRO 528 Cb -0.03 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1i6h s PRO 528 CO -0.12 -1.14 0.88 -1.21 0.04 0.00 0.00 177.00 175.46 1i6h s GLU 529 N -3.98 3.72 1.92 4.56 2.02 -1.26 -3.53 118.70 122.15 1i6h s GLU 529 Ca 0.67 0.58 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1i6h s GLU 529 Cb -0.20 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1i6h s GLU 529 CO 0.39 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.82 1i6h n GLY 530 N -1.93 1.73 0.00 -1.39 0.00 -1.26 -4.37 105.19 97.97 1i6h n GLY 530 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1i6h n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i6h n GLN 531 N 12.87 0.00 -0.84 1.61 10.64 -1.26 0.14 117.38 140.55 1i6h n GLN 531 Ca 0.00 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.19 1i6h n GLN 531 Cb 0.00 0.00 0.32 0.00 -0.86 0.00 0.00 30.24 29.70 1i6h n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1i6h n ALA 532 N 0.00 3.97 -1.65 2.61 0.00 -1.26 -5.00 120.51 119.18 1i6h n ALA 532 Ca 0.00 -2.27 -0.46 0.00 0.00 0.00 0.00 53.44 50.72 1i6h n ALA 532 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1i6h n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i6h n GLY 534 N 2.26 2.63 0.12 0.00 0.00 -1.26 -4.71 105.19 104.23 1i6h n GLY 534 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1i6h n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i6h h LEU 535 N 0.00 0.32 -9.00 0.99 3.38 -1.20 -3.40 115.31 106.40 1i6h h LEU 535 Ca 0.00 -0.82 -0.60 0.00 0.09 0.00 0.00 57.88 56.55 1i6h h LEU 535 Cb 0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.55 1i6h h LEU 535 CO 0.00 1.62 0.37 -0.69 0.09 0.00 0.00 178.44 179.83 1i6h s VAL 536 N -2.47 4.87 0.44 1.22 1.01 -0.83 -2.87 120.40 121.77 1i6h s VAL 536 Ca -0.21 1.37 0.06 0.00 0.00 0.00 0.00 61.98 63.20 1i6h s VAL 536 Cb 0.05 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1i6h s VAL 536 CO 0.74 -0.08 0.08 -0.54 0.00 0.00 0.00 175.10 175.30 1i6h s LYS 537 N 2.78 2.10 -0.06 2.72 1.02 0.93 -4.48 119.74 124.74 1i6h s LYS 537 Ca 0.32 -2.08 -0.02 0.00 0.02 0.00 0.00 55.97 54.21 1i6h s LYS 537 Cb -0.15 -1.75 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1i6h s LYS 537 CO 0.09 -0.16 0.05 1.21 -0.92 0.00 0.00 175.35 175.61 1i6h s ASN 538 N -3.83 1.32 0.43 2.83 3.84 -1.26 0.01 114.94 118.29 1i6h s ASN 538 Ca 0.31 -0.00 -0.26 0.00 0.21 0.00 0.00 52.86 53.13 1i6h s ASN 538 Cb 0.06 -0.23 -0.08 0.00 -0.55 0.00 0.00 41.25 40.45 1i6h s ASN 538 CO 0.17 -0.24 1.38 -0.76 -2.79 0.00 0.00 177.10 174.86 1i6h s LEU 539 N 2.12 4.15 1.30 3.21 1.43 -0.47 -1.11 118.68 129.30 1i6h s LEU 539 Ca 0.05 2.83 -0.21 0.00 -1.03 0.00 0.00 54.13 55.76 1i6h s LEU 539 Cb -0.12 -3.92 0.32 0.00 0.03 0.00 0.00 46.19 42.50 1i6h s LEU 539 CO -0.04 -1.06 1.06 -0.44 0.23 0.00 0.00 176.35 176.10 1i6h s SER 540 N -0.59 0.06 0.03 2.29 0.01 0.09 -4.54 113.70 111.06 1i6h s SER 540 Ca 0.59 0.62 -0.22 0.00 1.31 0.00 0.00 55.95 58.25 1i6h s SER 540 Cb -0.42 -0.83 -0.15 0.00 0.21 0.00 0.00 66.02 64.83 1i6h s SER 540 CO 0.54 -4.65 1.42 -0.07 0.41 0.00 0.00 173.24 170.89 1i6h h LEU 541 N -2.94 0.19 -1.57 2.44 3.38 -1.33 -3.24 115.31 112.24 1i6h h LEU 541 Ca -0.43 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1i6h h LEU 541 Cb 1.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1i6h h LEU 541 CO 0.29 0.51 0.00 0.23 0.09 0.00 0.00 178.44 179.56 1i6h n MET 542 N -4.77 2.12 -2.76 1.13 2.81 -1.26 -4.93 117.12 109.46 1i6h n MET 542 Ca -0.06 -1.36 -0.33 0.00 -1.81 0.00 0.00 57.70 54.14 1i6h n MET 542 Cb 0.24 -1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 31.25 1i6h n MET 542 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1i6h s SER 543 N -0.83 6.81 0.29 7.83 1.04 -1.22 -4.17 113.70 123.45 1i6h s SER 543 Ca 0.25 1.57 0.02 0.00 0.48 0.00 0.00 55.95 58.27 1i6h s SER 543 Cb 0.15 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 1i6h s SER 543 CO 0.14 -0.40 0.28 0.00 0.98 0.00 0.00 173.24 174.24 1i6h s ILE 545 N -3.63 0.11 0.16 0.00 1.01 -1.26 -1.68 121.20 115.92 1i6h s ILE 545 Ca 0.37 0.18 -0.33 0.00 0.00 0.00 0.00 60.65 60.87 1i6h s ILE 545 Cb 0.03 -0.26 -0.16 0.00 0.01 0.00 0.00 42.46 42.09 1i6h s ILE 545 CO 0.20 0.16 1.23 -1.54 0.00 0.00 0.00 174.94 174.99 1i6h n SER 546 N 4.52 1.57 -0.01 3.58 3.41 -0.80 -4.76 113.62 121.14 1i6h n SER 546 Ca -0.19 1.14 0.05 0.00 -0.26 0.00 0.00 58.87 59.61 1i6h n SER 546 Cb 0.50 -1.23 -0.13 0.00 -0.26 0.00 0.00 64.21 63.09 1i6h n SER 546 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1i6h n VAL 547 N 1.78 0.53 0.00 -3.33 3.14 -1.26 0.66 118.33 119.85 1i6h n VAL 547 Ca 0.15 -0.61 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1i6h n VAL 547 Cb 0.24 -0.24 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1i6h n VAL 547 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1i6h n GLY 548 N 1.36 2.49 3.53 7.55 0.00 -1.26 -4.61 105.19 114.25 1i6h n GLY 548 Ca -0.10 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.46 1i6h n GLY 548 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i6h s THR 549 N 0.00 2.27 -0.00 2.61 2.01 -1.13 -4.99 115.64 116.41 1i6h s THR 549 Ca 0.00 -2.24 -0.30 0.00 0.31 0.00 0.00 61.69 59.46 1i6h s THR 549 Cb 0.00 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 1i6h s THR 549 CO 0.00 -0.23 1.13 -0.62 -0.69 0.00 0.00 174.62 174.21 1i6h s ASP 550 N -3.59 7.15 0.15 3.53 -1.08 -1.26 -4.84 116.67 116.72 1i6h s ASP 550 Ca 0.32 1.83 0.08 0.00 -0.52 0.00 0.00 52.55 54.26 1i6h s ASP 550 Cb 0.01 -2.57 -0.13 0.00 -1.46 0.00 0.00 42.92 38.77 1i6h s ASP 550 CO 0.16 -0.46 1.33 1.55 0.52 0.00 0.00 175.17 178.27 1i6h h PRO 551 N 7.04 0.00 -0.52 4.34 0.13 -1.99 -3.39 132.00 137.61 1i6h h PRO 551 Ca -0.38 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.80 1i6h h PRO 551 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.24 1i6h h PRO 551 CO 0.82 0.93 -0.53 0.52 -0.23 0.00 0.00 178.00 179.51 1i6h h MET 552 N 0.00 -0.28 -0.50 0.86 2.86 -1.99 -1.40 114.93 114.48 1i6h h MET 552 Ca -0.01 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.80 1i6h h MET 552 Cb 1.67 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.38 1i6h h MET 552 CO 0.12 -0.18 0.74 -1.00 1.06 0.00 0.00 176.91 177.64 1i6h h PRO 553 N -0.29 0.00 0.00 -0.22 0.13 -2.00 0.18 132.00 129.80 1i6h h PRO 553 Ca 0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.10 1i6h h PRO 553 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1i6h h PRO 553 CO -0.64 0.00 -0.71 0.82 -0.23 0.00 0.00 178.00 177.24 1i6h h ILE 554 N 0.00 1.07 -0.84 -3.56 2.04 -1.54 -2.88 117.51 111.80 1i6h h ILE 554 Ca 0.24 -2.06 0.24 0.00 1.00 0.00 0.00 64.86 64.27 1i6h h ILE 554 Cb 1.71 2.28 -0.04 0.00 -0.74 0.00 0.00 36.82 40.04 1i6h h ILE 554 CO -0.00 0.36 0.60 0.40 0.00 0.00 0.00 178.15 179.51 1i6h h ILE 555 N -1.00 0.59 0.00 -0.67 2.04 -0.18 0.32 117.51 118.60 1i6h h ILE 555 Ca -0.19 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1i6h h ILE 555 Cb 1.06 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1i6h h ILE 555 CO -0.11 0.01 0.00 0.41 0.00 0.00 0.00 178.15 178.46 1i6h n THR 556 N -4.31 0.00 -0.24 -0.27 -1.04 -0.09 -2.92 114.28 105.40 1i6h n THR 556 Ca 0.17 0.85 0.23 0.00 -2.04 0.00 0.00 64.05 63.26 1i6h n THR 556 Cb 0.88 -1.79 0.43 0.00 -1.82 0.00 0.00 70.33 68.03 1i6h n THR 556 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1i6h n PHE 557 N -1.85 0.85 0.33 -1.42 7.35 -0.52 0.53 117.46 122.72 1i6h n PHE 557 Ca 0.00 0.89 -0.17 0.00 -0.76 0.00 0.00 57.45 57.41 1i6h n PHE 557 Cb 0.00 -1.30 -0.09 0.00 0.35 0.00 0.00 39.48 38.45 1i6h n PHE 557 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1i6h h LEU 558 N 0.00 -0.81 -0.60 -2.13 3.38 -0.48 -1.07 115.31 113.61 1i6h h LEU 558 Ca 0.63 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.64 1i6h h LEU 558 Cb 1.64 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1i6h h LEU 558 CO -0.59 -0.53 0.00 -1.54 0.09 0.00 0.00 178.44 175.87 1i6h n SER 559 N -5.47 0.32 -0.68 -0.43 3.41 0.19 -0.92 113.62 110.02 1i6h n SER 559 Ca -0.13 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 1i6h n SER 559 Cb 0.36 -0.67 0.31 0.00 -0.26 0.00 0.00 64.21 63.95 1i6h n SER 559 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i6h n GLU 560 N -1.89 1.89 -2.50 4.33 1.02 -0.43 -4.05 120.64 119.01 1i6h n GLU 560 Ca 0.01 -1.35 -0.00 0.00 -0.02 0.00 0.00 57.16 55.80 1i6h n GLU 560 Cb 0.09 -1.39 0.05 0.00 -0.02 0.00 0.00 31.44 30.17 1i6h n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 1i6h n TRP 561 N 0.57 0.35 0.00 -0.32 7.02 -0.10 -5.04 117.44 119.92 1i6h n TRP 561 Ca 0.16 -1.72 0.00 0.00 -1.02 0.00 0.00 57.50 54.92 1i6h n TRP 561 Cb 0.37 0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.43 1i6h n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1i6h n GLY 562 N -0.58 0.76 3.90 6.99 0.00 -1.20 -4.89 105.19 110.17 1i6h n GLY 562 Ca 0.00 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 1i6h n GLY 562 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1i6h n MET 563 N 0.00 -0.88 -1.69 1.61 0.00 -1.24 -4.51 117.12 110.41 1i6h n MET 563 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 57.70 57.71 1i6h n MET 563 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 33.22 30.56 1i6h n MET 563 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1i6h s GLU 564 N -6.17 4.14 0.24 2.12 2.02 0.11 -4.59 118.70 116.58 1i6h s GLU 564 Ca 0.27 2.60 -0.30 0.00 0.02 0.00 0.00 54.97 57.57 1i6h s GLU 564 Cb -0.14 -3.91 -0.15 0.00 0.10 0.00 0.00 34.13 30.03 1i6h s GLU 564 CO 0.93 -0.91 1.10 -0.35 0.02 0.00 0.00 175.26 176.05 1i6h n PRO 565 N 6.72 1.34 0.32 0.39 -0.04 -1.26 -2.39 135.00 140.09 1i6h n PRO 565 Ca 0.19 0.47 0.19 0.00 -0.04 0.00 0.00 63.50 64.31 1i6h n PRO 565 Cb 0.40 -1.91 1.02 0.00 -0.04 0.00 0.00 33.50 32.96 1i6h n PRO 565 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1i6h h LEU 566 N 2.68 0.00 -0.30 1.53 5.85 -1.89 -1.81 115.31 121.37 1i6h h LEU 566 Ca -0.41 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1i6h h LEU 566 Cb 1.34 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1i6h h LEU 566 CO 0.65 0.00 0.17 -0.33 -0.34 0.00 0.00 178.44 178.60 1i6h h GLU 567 N 0.00 0.35 -2.18 1.25 4.39 -1.92 -3.11 114.58 113.37 1i6h h GLU 567 Ca 0.00 -0.02 -0.78 0.00 0.34 0.00 0.00 59.36 58.90 1i6h h GLU 567 Cb 0.26 -0.08 -0.28 0.00 -0.10 0.00 0.00 28.75 28.55 1i6h h GLU 567 CO 0.00 0.23 0.91 -0.25 -1.16 0.00 0.00 179.01 178.74 1i6h n ASP 568 N -4.92 7.19 -4.63 1.42 8.00 -0.68 -4.98 116.55 117.95 1i6h n ASP 568 Ca -0.01 -3.73 -0.36 0.00 0.71 0.00 0.00 54.79 51.41 1i6h n ASP 568 Cb 0.05 -1.10 -0.10 0.00 -0.02 0.00 0.00 41.12 39.96 1i6h n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1i6h s TYR 569 N -4.21 3.27 -0.61 1.24 5.04 -1.18 -4.88 117.35 116.03 1i6h s TYR 569 Ca 0.43 0.11 0.02 0.00 -2.44 0.00 0.00 57.07 55.19 1i6h s TYR 569 Cb 0.26 -2.20 0.15 0.00 0.35 0.00 0.00 41.96 40.53 1i6h s TYR 569 CO -0.20 0.06 0.38 0.08 -1.34 0.00 0.00 175.55 174.53 1i6h s VAL 570 N 0.85 3.03 0.13 3.14 1.01 -1.26 -5.00 120.40 122.30 1i6h s VAL 570 Ca 0.06 -3.48 -0.32 0.00 0.00 0.00 0.00 61.98 58.24 1i6h s VAL 570 Cb -0.13 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 1i6h s VAL 570 CO 0.03 -0.88 1.54 1.55 0.00 0.00 0.00 175.10 177.33 1i6h h PRO 571 N 6.36 -0.37 0.00 2.72 0.13 -1.91 0.34 132.00 139.27 1i6h h PRO 571 Ca -0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1i6h h PRO 571 Cb 0.87 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1i6h h PRO 571 CO 0.71 -0.25 0.00 -2.39 -0.23 0.00 0.00 178.00 175.85 1i6h n HIS 572 N -5.31 0.00 -0.01 1.56 1.44 -1.26 -1.55 115.22 110.09 1i6h n HIS 572 Ca -0.03 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.74 1i6h n HIS 572 Cb 0.33 -0.13 -0.11 0.00 0.12 0.00 0.00 29.99 30.21 1i6h n HIS 572 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1i6h n GLN 573 N -1.13 0.41 -3.18 -1.40 7.27 0.10 -4.67 117.38 114.78 1i6h n GLN 573 Ca 0.04 -0.12 -0.21 0.00 0.07 0.00 0.00 57.00 56.78 1i6h n GLN 573 Cb 0.04 -1.32 -0.05 0.00 2.41 0.00 0.00 30.24 31.32 1i6h n GLN 573 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1i6h n SER 574 N -1.97 1.01 0.11 1.69 7.64 0.03 -4.99 113.62 117.13 1i6h n SER 574 Ca -0.02 -2.97 -0.13 0.00 1.01 0.00 0.00 58.87 56.76 1i6h n SER 574 Cb 0.35 -0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1i6h n SER 574 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1i6h h PRO 575 N 3.38 -0.25 -0.46 1.43 0.13 -1.77 -2.53 132.00 131.93 1i6h h PRO 575 Ca 0.10 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1i6h h PRO 575 Cb 0.89 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1i6h h PRO 575 CO 0.52 -0.17 0.00 -0.25 -0.23 0.00 0.00 178.00 177.88 1i6h n ASP 576 N -5.23 0.46 -4.80 1.44 8.00 -1.26 -4.83 116.55 110.33 1i6h n ASP 576 Ca -0.08 -1.33 -0.35 0.00 0.71 0.00 0.00 54.79 53.74 1i6h n ASP 576 Cb 0.15 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 40.96 1i6h n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i6h s ALA 577 N -1.31 3.19 -0.12 2.24 0.00 -0.96 -4.81 121.76 119.99 1i6h s ALA 577 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 1i6h s ALA 577 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1i6h s ALA 577 CO 0.00 0.19 0.08 0.99 0.00 0.00 0.00 175.76 177.02 1i6h s THR 578 N -1.81 4.98 -0.29 0.00 2.01 -0.94 -4.88 115.64 114.70 1i6h s THR 578 Ca 0.53 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.43 1i6h s THR 578 Cb -0.15 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1i6h s THR 578 CO 0.20 0.59 0.21 0.00 -0.69 0.00 0.00 174.62 174.93 1i6h s ARG 579 N -0.78 3.85 0.12 4.92 1.70 -0.48 0.14 118.95 128.41 1i6h s ARG 579 Ca 0.13 -0.38 -0.25 0.00 -0.47 0.00 0.00 55.73 54.76 1i6h s ARG 579 Cb -0.12 -3.69 -0.07 0.00 -0.57 0.00 0.00 34.95 30.50 1i6h s ARG 579 CO 0.03 -0.25 0.77 0.08 -1.08 0.00 0.00 175.30 174.85 1i6h s VAL 580 N 1.77 4.50 -0.04 4.99 1.01 -1.07 -2.75 120.40 128.82 1i6h s VAL 580 Ca 0.07 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.77 1i6h s VAL 580 Cb -0.16 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 1i6h s VAL 580 CO 0.11 0.47 -0.17 -0.36 0.00 0.00 0.00 175.10 175.15 1i6h s PHE 581 N -0.76 1.62 -0.08 5.22 0.40 0.45 -2.66 117.98 122.17 1i6h s PHE 581 Ca 0.37 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1i6h s PHE 581 Cb -0.22 -1.08 0.03 0.00 0.51 0.00 0.00 43.02 42.25 1i6h s PHE 581 CO 0.25 -0.13 -0.03 0.08 0.70 0.00 0.00 175.22 176.09 1i6h s VAL 582 N -0.04 0.59 -1.47 -0.44 1.01 -0.05 -0.36 120.40 119.64 1i6h s VAL 582 Ca -0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 1i6h s VAL 582 Cb -0.10 -0.69 0.12 0.00 0.00 0.00 0.00 36.38 35.71 1i6h s VAL 582 CO 0.01 0.29 0.65 0.59 0.00 0.00 0.00 175.10 176.64 1i6h n ASN 583 N 4.94 -3.43 0.00 3.32 3.02 -0.47 -1.62 115.26 121.01 1i6h n ASN 583 Ca -0.11 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1i6h n ASN 583 Cb 0.50 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 1i6h n ASN 583 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i6h n GLY 584 N -1.27 2.76 3.79 7.41 0.00 -1.26 -4.98 105.19 111.63 1i6h n GLY 584 Ca 0.04 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1i6h n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6h s VAL 585 N -2.45 4.24 -0.62 1.61 1.01 -0.64 -4.99 120.40 118.55 1i6h s VAL 585 Ca 0.00 1.78 -0.19 0.00 0.00 0.00 0.00 61.98 63.57 1i6h s VAL 585 Cb 0.00 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.53 1i6h s VAL 585 CO 0.00 0.10 0.73 0.86 0.00 0.00 0.00 175.10 176.79 1i6h s TRP 586 N -1.67 3.06 -2.20 5.22 -0.00 -1.26 -0.87 118.94 121.21 1i6h s TRP 586 Ca 0.51 -1.06 0.19 0.00 -0.00 0.00 0.00 56.10 55.74 1i6h s TRP 586 Cb -0.18 -4.02 0.71 0.00 -0.00 0.00 0.00 33.47 29.98 1i6h s TRP 586 CO 0.23 -1.28 1.51 0.72 -0.00 0.00 0.00 176.95 178.12 1i6h n HIS 587 N 6.17 0.22 -0.07 5.86 8.25 -1.09 -4.90 115.22 129.67 1i6h n HIS 587 Ca -0.06 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1i6h n HIS 587 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1i6h n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i6h n GLY 588 N 1.07 0.54 3.22 -1.41 0.00 -1.25 -3.64 105.19 103.72 1i6h n GLY 588 Ca 0.15 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1i6h n GLY 588 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6h s VAL 589 N -3.90 0.02 -0.29 1.61 1.01 -1.00 -2.58 120.40 115.27 1i6h s VAL 589 Ca 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 61.98 59.99 1i6h s VAL 589 Cb 0.00 -2.37 0.14 0.00 0.00 0.00 0.00 36.38 34.16 1i6h s VAL 589 CO 0.00 -0.11 0.60 -2.28 0.00 0.00 0.00 175.10 173.31 1i6h s HIS 590 N -4.12 -1.35 1.00 5.22 5.04 0.36 -0.71 115.29 120.73 1i6h s HIS 590 Ca 0.34 1.99 -0.13 0.00 -1.54 0.00 0.00 55.06 55.73 1i6h s HIS 590 Cb 0.07 0.65 0.19 0.00 0.04 0.00 0.00 32.58 33.52 1i6h s HIS 590 CO 0.09 -0.72 1.11 1.03 -2.34 0.00 0.00 174.74 173.91 1i6h s ARG 591 N 2.84 0.42 -0.92 2.88 0.52 -1.26 -2.21 118.95 121.21 1i6h s ARG 591 Ca 0.04 0.38 -0.18 0.00 -0.52 0.00 0.00 55.73 55.45 1i6h s ARG 591 Cb -0.13 -1.75 0.03 0.00 0.52 0.00 0.00 34.95 33.62 1i6h s ARG 591 CO -0.19 -2.71 0.56 -1.71 0.02 0.00 0.00 175.30 171.27 1i6h n ASN 592 N -4.14 -3.79 0.25 0.23 2.85 -1.26 -4.81 115.26 104.58 1i6h n ASN 592 Ca 0.06 -1.02 0.14 0.00 -0.11 0.00 0.00 54.58 53.65 1i6h n ASN 592 Cb 0.58 -1.37 0.40 0.00 1.24 0.00 0.00 39.78 40.63 1i6h n ASN 592 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1i6h h PRO 593 N -1.17 0.00 -0.76 1.20 0.13 -1.95 -3.25 132.00 126.20 1i6h h PRO 593 Ca -0.60 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1i6h h PRO 593 Cb 1.22 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.28 1i6h h PRO 593 CO 0.40 0.01 0.41 0.00 -0.23 0.00 0.00 178.00 178.59 1i6h h ALA 594 N 1.99 1.06 0.17 -0.56 0.00 -1.94 -1.19 119.26 118.79 1i6h h ALA 594 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1i6h h ALA 594 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1i6h h ALA 594 CO 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.21 1i6h h ARG 595 N 0.71 -0.22 -0.84 0.00 3.08 -1.94 -3.14 114.38 112.03 1i6h h ARG 595 Ca 0.36 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.59 1i6h h ARG 595 Cb 0.33 0.05 -0.16 0.00 0.08 0.00 0.00 29.97 30.28 1i6h h ARG 595 CO -0.24 0.21 -0.23 1.25 -1.07 0.00 0.00 179.97 179.88 1i6h h LEU 596 N -0.82 -0.85 0.08 3.04 5.85 -1.60 -1.11 115.31 119.91 1i6h h LEU 596 Ca -0.02 0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1i6h h LEU 596 Cb 0.53 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1i6h h LEU 596 CO 0.04 -0.28 -0.17 -0.03 -0.34 0.00 0.00 178.44 177.66 1i6h h MET 597 N -0.01 -0.31 -0.17 1.25 4.05 -1.30 0.11 114.93 118.55 1i6h h MET 597 Ca 0.39 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.85 1i6h h MET 597 Cb 0.61 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 1i6h h MET 597 CO -0.87 -0.21 0.11 1.49 0.23 0.00 0.00 176.91 177.67 1i6h h GLU 598 N -0.32 0.13 0.49 0.39 4.81 -1.19 -0.55 114.58 118.34 1i6h h GLU 598 Ca 0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1i6h h GLU 598 Cb 0.35 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1i6h h GLU 598 CO -0.10 0.08 -0.24 1.15 -0.73 0.00 0.00 179.01 179.17 1i6h h THR 599 N 0.13 0.35 -0.30 0.32 2.02 -0.57 -2.67 112.91 112.19 1i6h h THR 599 Ca 0.07 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 66.82 1i6h h THR 599 Cb 0.12 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 1i6h h THR 599 CO -0.01 0.06 -0.32 -0.07 0.37 0.00 0.00 175.52 175.55 1i6h h LEU 600 N -0.99 -1.09 -0.92 2.58 3.38 0.32 -0.47 115.31 118.12 1i6h h LEU 600 Ca -0.07 0.15 0.20 0.00 0.09 0.00 0.00 57.88 58.25 1i6h h LEU 600 Cb 0.60 0.45 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 1i6h h LEU 600 CO 0.11 -0.20 0.48 0.03 0.09 0.00 0.00 178.44 178.95 1i6h h ARG 601 N -0.17 0.54 -0.64 1.13 3.08 -1.26 0.20 114.38 117.26 1i6h h ARG 601 Ca 0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1i6h h ARG 601 Cb 0.31 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1i6h h ARG 601 CO -0.38 0.36 0.36 1.15 -1.07 0.00 0.00 179.97 180.39 1i6h h THR 602 N 0.56 1.19 0.00 2.04 2.02 -0.76 -0.05 112.91 117.90 1i6h h THR 602 Ca 0.55 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1i6h h THR 602 Cb 0.95 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1i6h h THR 602 CO -0.45 0.21 -0.06 -0.07 0.37 0.00 0.00 175.52 175.52 1i6h h LEU 603 N 0.88 0.00 0.00 2.58 3.38 0.52 0.28 115.31 122.95 1i6h h LEU 603 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1i6h h LEU 603 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1i6h h LEU 603 CO -0.04 0.06 -0.80 -0.09 0.09 0.00 0.00 178.44 177.66 1i6h h ARG 604 N 0.00 0.00 0.01 1.13 2.43 -0.24 0.54 114.38 118.25 1i6h h ARG 604 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 1i6h h ARG 604 Cb 0.78 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.27 1i6h h ARG 604 CO 0.01 0.00 -1.99 0.54 -1.51 0.00 0.00 179.97 177.02 1i6h n ARG 605 N -2.74 0.66 0.21 0.20 1.74 -0.13 -3.64 116.66 112.96 1i6h n ARG 605 Ca 0.01 0.18 0.09 0.00 -0.77 0.00 0.00 57.85 57.36 1i6h n ARG 605 Cb 0.54 -1.68 0.34 0.00 -1.02 0.00 0.00 32.46 30.64 1i6h n ARG 605 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1i6h h LYS 606 N 0.00 0.00 0.00 5.56 3.64 -0.57 -3.26 116.57 121.94 1i6h h LYS 606 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1i6h h LYS 606 Cb 2.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 1i6h h LYS 606 CO 0.06 0.25 0.00 0.41 -2.27 0.00 0.00 179.45 177.89 1i6h n GLY 607 N 0.49 2.01 0.41 5.01 0.00 -1.07 -4.93 105.19 107.11 1i6h n GLY 607 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.26 1i6h n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1i6h h ASP 608 N 0.00 0.00 -3.26 1.61 3.32 -0.99 -3.36 116.42 113.74 1i6h h ASP 608 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 1i6h h ASP 608 Cb 0.00 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.24 1i6h h ASP 608 CO 0.00 0.00 -0.80 -0.63 -1.72 0.00 0.00 179.24 176.09 1i6h s ILE 609 N -4.87 2.65 -0.10 0.35 1.01 0.16 -4.97 121.20 115.43 1i6h s ILE 609 Ca -0.05 -0.77 -0.41 0.00 0.00 0.00 0.00 60.65 59.43 1i6h s ILE 609 Cb 0.19 -2.13 -0.19 0.00 0.01 0.00 0.00 42.46 40.34 1i6h s ILE 609 CO 0.68 0.51 1.28 -3.20 0.00 0.00 0.00 174.94 174.21 1i6h n ASN 610 N 4.22 0.75 -0.22 3.58 2.85 -1.26 -4.25 115.26 120.94 1i6h n ASN 610 Ca -0.19 1.15 0.30 0.00 -0.11 0.00 0.00 54.58 55.73 1i6h n ASN 610 Cb 0.51 -0.98 0.73 0.00 1.24 0.00 0.00 39.78 41.28 1i6h n ASN 610 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1i6h h PRO 611 N 4.04 0.00 0.46 1.20 0.11 -1.86 -2.08 132.00 133.86 1i6h h PRO 611 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1i6h h PRO 611 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1i6h h PRO 611 CO 0.76 0.00 -0.22 0.93 -0.21 0.00 0.00 178.00 179.26 1i6h h GLU 612 N 0.00 -0.59 -5.74 1.05 5.08 -1.89 -3.40 114.58 109.09 1i6h h GLU 612 Ca 0.46 0.04 -0.80 0.00 -1.00 0.00 0.00 59.36 58.06 1i6h h GLU 612 Cb 1.87 0.13 0.03 0.00 0.50 0.00 0.00 28.75 31.28 1i6h h GLU 612 CO -0.00 -0.37 0.36 0.28 -1.00 0.00 0.00 179.01 178.28 1i6h n VAL 613 N -5.34 0.00 -4.01 3.13 0.31 -0.78 -4.93 118.33 106.72 1i6h n VAL 613 Ca -0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 1i6h n VAL 613 Cb 0.27 -0.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.89 1i6h n VAL 613 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1i6h s SER 614 N 1.45 6.05 -0.07 4.52 1.04 -0.42 -4.93 113.70 121.33 1i6h s SER 614 Ca 0.94 0.31 -0.00 0.00 0.48 0.00 0.00 55.95 57.68 1i6h s SER 614 Cb -1.33 -1.86 0.02 0.00 0.10 0.00 0.00 66.02 62.96 1i6h s SER 614 CO 0.67 0.33 -0.04 -0.04 0.98 0.00 0.00 173.24 175.14 1i6h s MET 615 N -1.41 0.96 -0.06 4.02 -1.94 -1.26 -0.28 119.30 119.33 1i6h s MET 615 Ca 0.20 -0.08 0.06 0.00 -1.71 0.00 0.00 55.69 54.16 1i6h s MET 615 Cb -0.12 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.61 1i6h s MET 615 CO 0.10 -0.20 -0.25 0.42 -0.01 0.00 0.00 175.02 175.08 1i6h s ILE 616 N 1.48 2.06 -0.32 2.53 1.09 0.59 -4.86 121.20 123.77 1i6h s ILE 616 Ca -0.02 -1.07 0.02 0.00 -1.10 0.00 0.00 60.65 58.49 1i6h s ILE 616 Cb -0.13 -1.74 0.10 0.00 -1.06 0.00 0.00 42.46 39.63 1i6h s ILE 616 CO -0.04 0.57 0.06 -0.60 -0.10 0.00 0.00 174.94 174.83 1i6h s ARG 617 N -0.17 1.21 -1.30 2.79 3.52 -1.26 -0.80 118.95 122.94 1i6h s ARG 617 Ca -0.03 -1.49 -0.14 0.00 -0.13 0.00 0.00 55.73 53.94 1i6h s ARG 617 Cb -0.14 -2.69 0.11 0.00 -1.56 0.00 0.00 34.95 30.68 1i6h s ARG 617 CO 0.04 -0.92 1.77 -3.47 -0.81 0.00 0.00 175.30 171.90 1i6h n ASP 618 N 4.52 4.86 -0.20 -2.12 -0.08 -0.74 -4.87 116.55 117.92 1i6h n ASP 618 Ca 0.00 -2.96 -0.05 0.00 -1.51 0.00 0.00 54.79 50.27 1i6h n ASP 618 Cb 0.42 -1.62 -0.05 0.00 2.34 0.00 0.00 41.12 42.21 1i6h n ASP 618 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1i6h n ILE 619 N 5.00 -0.32 0.51 5.18 5.41 -1.26 0.10 119.36 133.97 1i6h n ILE 619 Ca 0.44 1.29 0.06 0.00 1.00 0.00 0.00 62.75 65.54 1i6h n ILE 619 Cb 0.42 -1.61 0.29 0.00 -0.71 0.00 0.00 39.64 38.03 1i6h n ILE 619 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1i6h n ARG 620 N -4.37 0.07 0.00 0.38 1.74 -1.26 -1.68 116.66 111.54 1i6h n ARG 620 Ca 0.01 0.24 0.10 0.00 -0.77 0.00 0.00 57.85 57.43 1i6h n ARG 620 Cb 0.12 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1i6h n ARG 620 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1i6h n GLU 621 N -1.42 1.69 -3.69 5.56 4.07 0.28 -4.96 120.64 122.17 1i6h n GLU 621 Ca 0.04 -1.36 -0.23 0.00 -0.06 0.00 0.00 57.16 55.56 1i6h n GLU 621 Cb 0.13 -1.41 0.05 0.00 -0.06 0.00 0.00 31.44 30.15 1i6h n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1i6h n LYS 622 N 0.57 -5.62 -4.21 5.31 5.02 -0.68 -4.92 118.16 113.63 1i6h n LYS 622 Ca 0.10 0.67 -0.17 0.00 -2.02 0.00 0.00 58.31 56.90 1i6h n LYS 622 Cb 0.48 -5.42 -0.13 0.00 -0.02 0.00 0.00 35.03 29.94 1i6h n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1i6h s GLU 623 N -6.04 0.66 -0.19 1.97 2.02 -1.23 -1.39 118.70 114.50 1i6h s GLU 623 Ca 0.19 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.57 1i6h s GLU 623 Cb -0.09 -0.58 0.06 0.00 0.10 0.00 0.00 34.13 33.62 1i6h s GLU 623 CO 0.79 0.14 0.05 -1.17 0.02 0.00 0.00 175.26 175.10 1i6h s LEU 624 N -0.95 0.99 -0.24 1.80 2.96 -1.11 -1.78 118.68 120.35 1i6h s LEU 624 Ca -0.02 -0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 53.04 1i6h s LEU 624 Cb -0.07 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 1i6h s LEU 624 CO 0.00 -0.32 0.01 -0.54 -1.32 0.00 0.00 176.35 174.18 1i6h s LYS 625 N 1.93 3.45 -0.15 1.98 1.02 0.02 -0.41 119.74 127.57 1i6h s LYS 625 Ca 0.00 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.36 1i6h s LYS 625 Cb -0.17 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1i6h s LYS 625 CO -0.09 -0.21 -0.01 0.42 -0.92 0.00 0.00 175.35 174.53 1i6h s ILE 626 N 1.53 4.12 -0.09 2.17 1.01 0.52 -0.30 121.20 130.15 1i6h s ILE 626 Ca 0.06 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1i6h s ILE 626 Cb -0.15 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1i6h s ILE 626 CO -0.00 0.51 -0.21 -0.36 0.00 0.00 0.00 174.94 174.87 1i6h s PHE 627 N 0.12 2.27 -0.13 3.97 2.99 0.61 -1.37 117.98 126.44 1i6h s PHE 627 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 56.93 56.06 1i6h s PHE 627 Cb -0.13 -1.54 -0.02 0.00 0.00 0.00 0.00 43.02 41.33 1i6h s PHE 627 CO 0.02 -0.37 0.16 2.41 -0.00 0.00 0.00 175.22 177.44 1i6h n THR 628 N 3.56 0.00 -1.07 0.64 -1.04 -1.26 -1.31 114.28 113.81 1i6h n THR 628 Ca -0.20 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.05 61.00 1i6h n THR 628 Cb 0.53 1.01 0.02 0.00 -1.82 0.00 0.00 70.33 70.07 1i6h n THR 628 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1i6h n ASP 629 N -0.89 -4.51 -4.56 8.00 -0.08 -1.26 -2.83 116.55 110.42 1i6h n ASP 629 Ca 0.01 0.41 -0.34 0.00 -1.51 0.00 0.00 54.79 53.35 1i6h n ASP 629 Cb 0.04 -0.76 -0.11 0.00 2.34 0.00 0.00 41.12 42.62 1i6h n ASP 629 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i6h s ALA 630 N -1.88 3.03 0.00 -1.67 0.00 -1.26 -4.19 121.76 115.79 1i6h s ALA 630 Ca 0.46 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1i6h s ALA 630 Cb -0.33 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1i6h s ALA 630 CO 0.70 0.42 0.00 0.41 0.00 0.00 0.00 175.76 177.29 1i6h n GLY 631 N 2.79 1.90 3.50 0.00 0.00 0.21 -4.85 105.19 108.74 1i6h n GLY 631 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1i6h n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i6h s ARG 632 N -0.59 3.74 0.29 1.61 0.52 -1.26 -1.24 118.95 122.02 1i6h s ARG 632 Ca 0.00 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.47 1i6h s ARG 632 Cb 0.00 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 1i6h s ARG 632 CO 0.00 0.01 1.06 0.08 0.02 0.00 0.00 175.30 176.46 1i6h s VAL 633 N 1.08 3.64 0.20 3.52 1.01 -1.26 -1.90 120.40 126.69 1i6h s VAL 633 Ca 0.04 1.60 -0.13 0.00 0.00 0.00 0.00 61.98 63.49 1i6h s VAL 633 Cb -0.14 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1i6h s VAL 633 CO 0.03 0.34 0.43 -0.72 0.00 0.00 0.00 175.10 175.18 1i6h s TYR 634 N -1.23 0.23 0.05 5.22 -0.85 -0.67 -3.86 117.35 116.24 1i6h s TYR 634 Ca 0.45 -0.59 -0.04 0.00 -0.52 0.00 0.00 57.07 56.38 1i6h s TYR 634 Cb -0.29 0.17 -0.02 0.00 0.38 0.00 0.00 41.96 42.19 1i6h s TYR 634 CO 0.37 -0.88 0.06 -0.98 -1.52 0.00 0.00 175.55 172.60 1i6h s ARG 635 N -3.96 0.64 1.12 -3.49 1.70 0.17 -1.34 118.95 113.79 1i6h s ARG 635 Ca 0.17 -0.99 -0.18 0.00 -0.47 0.00 0.00 55.73 54.26 1i6h s ARG 635 Cb 0.01 0.24 0.25 0.00 -0.57 0.00 0.00 34.95 34.88 1i6h s ARG 635 CO 0.02 -0.15 1.15 -1.25 -1.08 0.00 0.00 175.30 173.99 1i6h s PRO 636 N -3.40 -0.57 -0.27 3.89 0.04 -1.26 -0.79 135.00 132.64 1i6h s PRO 636 Ca 0.02 -0.07 -0.28 0.00 0.04 0.00 0.00 61.00 60.71 1i6h s PRO 636 Cb 0.04 -1.67 0.18 0.00 0.04 0.00 0.00 34.50 33.09 1i6h s PRO 636 CO -0.08 -3.28 1.32 -0.51 0.04 0.00 0.00 177.00 174.49 1i6h s LEU 637 N -6.63 -0.10 0.42 -3.56 1.43 -0.98 -4.77 118.68 104.49 1i6h s LEU 637 Ca 0.71 0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.71 1i6h s LEU 637 Cb -0.10 1.21 -0.10 0.00 0.03 0.00 0.00 46.19 47.24 1i6h s LEU 637 CO 0.55 -0.07 1.00 -0.36 0.23 0.00 0.00 176.35 177.70 1i6h s PHE 638 N -0.78 3.28 0.30 0.29 0.40 -0.63 -2.30 117.98 118.54 1i6h s PHE 638 Ca 0.07 1.64 -0.02 0.00 -0.60 0.00 0.00 56.93 58.02 1i6h s PHE 638 Cb -0.02 -3.00 -0.04 0.00 0.51 0.00 0.00 43.02 40.47 1i6h s PHE 638 CO -0.08 -0.39 0.53 0.42 0.70 0.00 0.00 175.22 176.39 1i6h s ILE 639 N -1.89 5.08 0.00 0.64 1.01 -1.17 -1.84 121.20 123.03 1i6h s ILE 639 Ca 0.60 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1i6h s ILE 639 Cb -0.16 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1i6h s ILE 639 CO 0.21 -0.39 0.00 0.52 0.00 0.00 0.00 174.94 175.27 1i6h n VAL 640 N -1.22 0.00 0.00 2.92 0.31 0.55 -1.98 118.33 118.91 1i6h n VAL 640 Ca -0.03 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1i6h n VAL 640 Cb 0.55 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 34.14 1i6h n VAL 640 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i6h n GLU 641 N -1.19 0.00 0.29 5.55 -0.58 -1.26 -3.54 120.64 119.92 1i6h n GLU 641 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1i6h n GLU 641 Cb 0.00 0.00 0.67 0.00 -0.57 0.00 0.00 31.44 31.54 1i6h n GLU 641 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1i6h h ASP 642 N 0.00 0.00 -0.02 1.62 2.03 -1.88 -3.41 116.42 114.76 1i6h h ASP 642 Ca 0.00 0.00 -0.40 0.00 -0.73 0.00 0.00 57.03 55.90 1i6h h ASP 642 Cb 0.00 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.39 1i6h h ASP 642 CO 0.00 0.00 1.92 0.47 -1.03 0.00 0.00 179.24 180.60 1i6h n ASP 643 N -2.66 -0.85 -3.15 4.15 8.00 -1.26 -4.49 116.55 116.29 1i6h n ASP 643 Ca -0.02 -0.34 0.05 0.00 0.71 0.00 0.00 54.79 55.19 1i6h n ASP 643 Cb 0.39 -0.68 -0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1i6h n ASP 643 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1i6h s GLU 644 N 7.67 0.38 0.13 -1.24 -6.30 -1.26 -4.96 118.70 113.11 1i6h s GLU 644 Ca 1.32 0.42 -0.20 0.00 -2.50 0.00 0.00 54.97 54.02 1i6h s GLU 644 Cb -0.96 0.20 -0.04 0.00 0.00 0.00 0.00 34.13 33.34 1i6h s GLU 644 CO 0.53 -0.66 1.72 0.66 0.02 0.00 0.00 175.26 177.53 1i6h h SER 645 N 7.73 -0.10 0.00 -1.70 4.64 -1.90 -3.28 113.55 118.94 1i6h h SER 645 Ca -0.07 0.05 -0.32 0.00 -0.47 0.00 0.00 61.79 60.98 1i6h h SER 645 Cb 1.18 0.08 0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1i6h h SER 645 CO 0.05 -0.02 2.04 0.18 -0.87 0.00 0.00 176.83 178.21 1i6h n LEU 646 N -5.15 3.19 -0.43 5.97 4.77 -1.26 -4.72 117.00 119.37 1i6h n LEU 646 Ca -0.03 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.68 1i6h n LEU 646 Cb 0.11 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1i6h n LEU 646 CO 0.26 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1i6h n GLY 647 N 4.01 -3.27 7.00 -0.72 0.00 -1.24 -5.07 105.19 105.91 1i6h n GLY 647 Ca 0.33 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1i6h n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1i6h n HIS 648 N 0.19 -0.23 -3.74 1.61 1.44 -1.26 -4.76 115.22 108.47 1i6h n HIS 648 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1i6h n HIS 648 Cb 0.00 0.06 -0.08 0.00 0.12 0.00 0.00 29.99 30.08 1i6h n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1i6h s LYS 649 N 0.00 4.16 0.04 -1.40 2.20 -1.26 -4.51 119.74 118.97 1i6h s LYS 649 Ca 0.00 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1i6h s LYS 649 Cb 0.00 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 1i6h s LYS 649 CO 0.00 0.27 -0.04 -2.00 -0.36 0.00 0.00 175.35 173.23 1i6h s GLU 650 N 0.43 0.47 0.25 4.03 2.56 -1.23 -4.97 118.70 120.23 1i6h s GLU 650 Ca 0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 54.97 53.87 1i6h s GLU 650 Cb -0.11 0.09 -0.09 0.00 2.00 0.00 0.00 34.13 36.01 1i6h s GLU 650 CO -0.01 -0.06 1.27 -0.51 -0.56 0.00 0.00 175.26 175.39 1i6h s LEU 651 N -2.08 4.44 0.37 2.70 1.43 -1.26 -4.26 118.68 120.02 1i6h s LEU 651 Ca -0.06 2.45 0.04 0.00 -1.03 0.00 0.00 54.13 55.54 1i6h s LEU 651 Cb -0.03 -3.62 0.72 0.00 0.03 0.00 0.00 46.19 43.28 1i6h s LEU 651 CO -0.04 -0.47 2.01 0.11 0.23 0.00 0.00 176.35 178.19 1i6h h LYS 652 N 4.61 0.67 -7.29 1.70 1.57 -1.67 -3.42 116.57 112.74 1i6h h LYS 652 Ca -0.46 -0.06 -0.52 0.00 -1.87 0.00 0.00 60.65 57.75 1i6h h LYS 652 Cb 1.22 -0.14 0.15 0.00 0.08 0.00 0.00 32.23 33.53 1i6h h LYS 652 CO 0.72 0.48 0.30 0.08 -0.57 0.00 0.00 179.45 180.47 1i6h s VAL 653 N -5.51 2.95 0.22 0.50 1.01 -1.26 -5.01 120.40 113.29 1i6h s VAL 653 Ca -0.09 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1i6h s VAL 653 Cb 0.17 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1i6h s VAL 653 CO 0.75 -0.39 0.40 -0.13 0.00 0.00 0.00 175.10 175.74 1i6h s ARG 654 N -4.72 1.40 0.38 2.72 1.81 -1.26 -4.61 118.95 114.66 1i6h s ARG 654 Ca 0.64 -1.23 0.11 0.00 -1.72 0.00 0.00 55.73 53.53 1i6h s ARG 654 Cb -0.19 0.43 0.89 0.00 -0.45 0.00 0.00 34.95 35.63 1i6h s ARG 654 CO 0.55 -0.56 1.89 -0.22 -0.68 0.00 0.00 175.30 176.28 1i6h h LYS 655 N 2.36 0.59 -0.01 3.54 3.64 -1.45 -0.37 116.57 124.86 1i6h h LYS 655 Ca -0.29 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1i6h h LYS 655 Cb 1.25 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.88 1i6h h LYS 655 CO 0.40 0.39 -0.42 0.78 -2.27 0.00 0.00 179.45 178.33 1i6h h GLY 656 N 0.61 -0.78 1.85 5.01 0.00 -1.67 -1.44 103.07 106.66 1i6h h GLY 656 Ca 0.42 0.51 0.01 0.00 0.00 0.00 0.00 47.33 48.28 1i6h h GLY 656 CO -0.18 -0.24 0.07 0.45 0.00 0.00 0.00 176.54 176.64 1i6h h HIS 657 N -0.57 0.08 -0.25 5.60 3.86 -1.30 -2.73 115.15 119.83 1i6h h HIS 657 Ca 0.05 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.08 1i6h h HIS 657 Cb 0.65 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1i6h h HIS 657 CO -0.43 0.05 -0.56 0.82 0.86 0.00 0.00 177.93 178.66 1i6h h ILE 658 N 0.08 1.29 -0.01 2.45 2.04 -0.75 0.56 117.51 123.17 1i6h h ILE 658 Ca 0.04 -1.77 -0.03 0.00 1.00 0.00 0.00 64.86 64.10 1i6h h ILE 658 Cb 0.08 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1i6h h ILE 658 CO -0.01 0.57 -0.15 0.00 0.00 0.00 0.00 178.15 178.56 1i6h h ALA 659 N 0.78 1.72 -0.04 1.87 0.00 -1.11 0.67 119.26 123.14 1i6h h ALA 659 Ca 0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 1i6h h ALA 659 Cb 1.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1i6h h ALA 659 CO 0.12 0.21 -0.66 -0.22 0.00 0.00 0.00 179.25 178.70 1i6h h LYS 660 N 0.02 0.18 0.08 0.00 3.64 -1.28 0.45 116.57 119.66 1i6h h LYS 660 Ca 0.00 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1i6h h LYS 660 Cb 0.29 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1i6h h LYS 660 CO 0.02 0.77 -0.04 -0.07 -2.27 0.00 0.00 179.45 177.87 1i6h h LEU 661 N 0.13 -0.09 -2.31 5.20 3.38 0.11 -3.05 115.31 118.67 1i6h h LEU 661 Ca -0.01 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.45 1i6h h LEU 661 Cb 1.18 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1i6h h LEU 661 CO 0.10 0.59 0.02 0.24 0.09 0.00 0.00 178.44 179.48 1i6h h MET 662 N -0.89 0.00 -0.27 1.13 2.86 0.25 -0.14 114.93 117.86 1i6h h MET 662 Ca -0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 1i6h h MET 662 Cb 0.59 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.18 1i6h h MET 662 CO 0.02 0.00 -0.22 0.00 1.06 0.00 0.00 176.91 177.77 1i6h h ALA 663 N 1.98 -0.07 -0.52 6.32 0.00 0.02 -1.40 119.26 125.60 1i6h h ALA 663 Ca 0.01 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1i6h h ALA 663 Cb 0.05 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1i6h h ALA 663 CO -0.00 -0.63 0.23 1.15 0.00 0.00 0.00 179.25 180.00 1i6h h THR 664 N -0.21 1.18 0.41 0.00 2.02 -1.00 -3.09 112.91 112.23 1i6h h THR 664 Ca 0.15 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1i6h h THR 664 Cb 0.44 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1i6h h THR 664 CO -0.40 0.21 -0.19 -0.33 0.37 0.00 0.00 175.52 175.18 1i6h h GLU 665 N 0.73 -0.53 -1.01 6.66 5.08 -1.06 -2.77 114.58 121.68 1i6h h GLU 665 Ca 0.18 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 58.84 1i6h h GLU 665 Cb 0.10 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.34 1i6h h GLU 665 CO -0.02 -0.34 0.60 -0.92 -1.00 0.00 0.00 179.01 177.33 1i6h h TYR 666 N -0.57 0.99 0.00 4.33 3.20 -1.33 0.47 116.97 124.05 1i6h h TYR 666 Ca -0.06 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1i6h h TYR 666 Cb 0.43 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1i6h h TYR 666 CO -0.04 0.03 0.00 1.04 -1.64 0.00 0.00 178.16 177.54 1i6h n GLN 667 N -4.90 0.49 0.00 1.82 6.02 -1.05 -5.15 117.38 114.61 1i6h n GLN 667 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1i6h n GLN 667 Cb 0.79 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.80 1i6h n GLN 667 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1i6h n ASP 668 N 0.59 0.00 -0.73 1.08 8.00 0.16 -5.09 116.55 120.56 1i6h n ASP 668 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1i6h n ASP 668 Cb 0.20 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.38 1i6h n ASP 668 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1i6h n GLU 678 N -0.88 1.58 -3.25 -1.24 0.28 -1.26 -5.15 120.64 110.72 1i6h n GLU 678 Ca 0.00 -1.59 -0.44 0.00 -0.16 0.00 0.00 57.16 54.97 1i6h n GLU 678 Cb 0.00 -1.35 -0.06 0.00 1.43 0.00 0.00 31.44 31.45 1i6h n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 1i6h s TYR 679 N -1.56 3.14 0.00 -1.84 5.04 -1.26 -5.02 117.35 115.85 1i6h s TYR 679 Ca 0.21 -0.83 0.00 0.00 -2.44 0.00 0.00 57.07 54.02 1i6h s TYR 679 Cb 0.15 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1i6h s TYR 679 CO 0.24 -0.98 0.00 2.41 -1.34 0.00 0.00 175.55 175.88 1i6h n THR 680 N 5.41 0.00 0.02 4.34 -1.04 -1.26 -4.79 114.28 116.96 1i6h n THR 680 Ca -0.10 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.89 1i6h n THR 680 Cb 0.44 -1.55 -0.09 0.00 -1.82 0.00 0.00 70.33 67.31 1i6h n THR 680 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1i6h n TRP 681 N -1.06 1.00 0.19 -1.42 -0.00 -1.26 -3.62 117.44 111.28 1i6h n TRP 681 Ca 0.00 0.34 0.07 0.00 -0.00 0.00 0.00 57.50 57.90 1i6h n TRP 681 Cb 0.00 -1.11 0.35 0.00 -0.00 0.00 0.00 31.31 30.55 1i6h n TRP 681 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 177.69 178.46 1i6h h SER 682 N 0.00 0.00 -0.56 5.87 0.02 -1.94 -2.41 113.55 114.53 1i6h h SER 682 Ca -0.19 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.70 1i6h h SER 682 Cb 1.67 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.19 1i6h h SER 682 CO 0.05 0.34 0.11 0.77 -1.14 0.00 0.00 176.83 176.96 1i6h h SER 683 N 0.00 0.87 -0.72 3.07 4.64 -1.94 0.97 113.55 120.45 1i6h h SER 683 Ca -0.00 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 1i6h h SER 683 Cb 0.88 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1i6h h SER 683 CO 0.04 0.90 0.25 -0.07 -0.87 0.00 0.00 176.83 177.08 1i6h h LEU 684 N 0.81 1.03 -0.69 5.97 3.38 -1.62 0.40 115.31 124.59 1i6h h LEU 684 Ca 0.17 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1i6h h LEU 684 Cb 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1i6h h LEU 684 CO 0.01 0.94 -0.25 0.25 0.09 0.00 0.00 178.44 179.48 1i6h h LEU 685 N 1.05 0.76 0.05 1.67 5.85 -0.90 0.37 115.31 124.16 1i6h h LEU 685 Ca 0.24 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1i6h h LEU 685 Cb 0.26 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.09 1i6h h LEU 685 CO -0.01 0.98 -0.32 0.78 -0.34 0.00 0.00 178.44 179.53 1i6h h ASN 686 N 0.65 0.20 0.00 1.25 2.35 0.13 -3.11 115.58 117.04 1i6h h ASN 686 Ca 0.08 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.90 1i6h h ASN 686 Cb 0.76 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1i6h h ASN 686 CO 0.06 1.12 0.00 -0.62 -1.65 0.00 0.00 177.43 176.34 1i6h n GLU 687 N -4.43 0.50 -3.99 0.81 1.02 0.14 -4.41 120.64 110.27 1i6h n GLU 687 Ca -0.11 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.73 1i6h n GLU 687 Cb 0.60 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1i6h n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i6h n GLY 688 N 0.23 -0.40 0.74 0.62 0.00 -1.15 -4.88 105.19 100.36 1i6h n GLY 688 Ca 0.00 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1i6h n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i6h n LEU 689 N -4.49 2.54 -3.82 0.99 4.77 0.13 -4.90 117.00 112.23 1i6h n LEU 689 Ca -0.07 -0.91 -0.10 0.00 -0.03 0.00 0.00 56.01 54.91 1i6h n LEU 689 Cb 0.57 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1i6h n LEU 689 CO 0.78 0.44 0.07 -0.69 -1.33 0.00 0.00 177.39 176.66 1i6h s VAL 690 N -2.07 0.07 0.09 4.08 1.01 -1.20 -3.03 120.40 119.36 1i6h s VAL 690 Ca 0.23 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1i6h s VAL 690 Cb 0.18 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1i6h s VAL 690 CO 0.38 -0.33 0.20 -1.61 0.00 0.00 0.00 175.10 173.74 1i6h s GLU 691 N -3.89 0.86 -0.38 2.72 2.02 -0.97 -4.74 118.70 114.33 1i6h s GLU 691 Ca 0.10 -0.95 -0.11 0.00 0.02 0.00 0.00 54.97 54.02 1i6h s GLU 691 Cb 0.02 0.35 0.03 0.00 0.10 0.00 0.00 34.13 34.63 1i6h s GLU 691 CO -0.05 -0.28 0.21 0.71 0.02 0.00 0.00 175.26 175.87 1i6h s TYR 692 N -3.86 3.25 -0.15 1.61 4.12 -1.26 -2.33 117.35 118.72 1i6h s TYR 692 Ca 0.05 -0.98 -0.03 0.00 0.02 0.00 0.00 57.07 56.13 1i6h s TYR 692 Cb 0.05 -2.47 -0.02 0.00 -1.52 0.00 0.00 41.96 38.00 1i6h s TYR 692 CO -0.11 -0.66 -0.07 0.42 0.02 0.00 0.00 175.55 175.16 1i6h s ILE 693 N 1.55 3.58 0.25 2.71 1.01 0.03 -4.87 121.20 125.46 1i6h s ILE 693 Ca 0.02 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1i6h s ILE 693 Cb -0.19 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 1i6h s ILE 693 CO 0.07 0.50 0.35 1.51 0.00 0.00 0.00 174.94 177.36 1i6h s ASP 694 N 0.45 6.16 0.58 3.58 -4.77 -1.26 -0.65 116.67 120.76 1i6h s ASP 694 Ca -0.06 -0.01 0.33 0.00 -3.30 0.00 0.00 52.55 49.51 1i6h s ASP 694 Cb -0.15 -1.73 1.39 0.00 -1.09 0.00 0.00 42.92 41.34 1i6h s ASP 694 CO 0.03 -0.10 1.69 0.00 0.70 0.00 0.00 175.17 177.49 1i6h h ALA 695 N 1.19 2.81 0.09 2.11 0.00 -1.91 -0.99 119.26 122.56 1i6h h ALA 695 Ca -0.51 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1i6h h ALA 695 Cb 1.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1i6h h ALA 695 CO 0.60 -1.35 -0.04 1.49 0.00 0.00 0.00 179.25 179.94 1i6h h GLU 696 N 0.00 -0.11 0.00 0.00 4.57 -1.92 -3.16 114.58 113.95 1i6h h GLU 696 Ca 0.45 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.58 1i6h h GLU 696 Cb 2.17 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 30.78 1i6h h GLU 696 CO -0.00 0.39 -0.30 1.49 -1.18 0.00 0.00 179.01 179.40 1i6h h GLU 697 N -0.71 0.00 -0.95 1.92 4.81 -1.57 -2.14 114.58 115.95 1i6h h GLU 697 Ca -0.01 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.40 1i6h h GLU 697 Cb 0.56 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.85 1i6h h GLU 697 CO 0.02 0.30 0.60 1.49 -0.73 0.00 0.00 179.01 180.70 1i6h h GLU 698 N 0.00 0.61 -0.97 1.92 4.81 -1.23 0.10 114.58 119.83 1i6h h GLU 698 Ca -0.00 -0.04 0.23 0.00 -0.13 0.00 0.00 59.36 59.42 1i6h h GLU 698 Cb 0.61 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.78 1i6h h GLU 698 CO 0.04 0.41 0.63 0.93 -0.73 0.00 0.00 179.01 180.29 1i6h h GLU 699 N 0.63 0.38 -0.63 1.92 4.39 -1.35 -2.48 114.58 117.43 1i6h h GLU 699 Ca 0.51 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.18 1i6h h GLU 699 Cb 0.94 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1i6h h GLU 699 CO -0.26 0.25 0.00 -1.13 -1.16 0.00 0.00 179.01 176.71 1i6h n SER 700 N -4.54 5.09 -4.30 1.42 3.41 0.02 -4.97 113.62 109.75 1i6h n SER 700 Ca 0.22 -2.77 -0.17 0.00 -0.26 0.00 0.00 58.87 55.89 1i6h n SER 700 Cb 0.78 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 1i6h n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1i6h s ILE 701 N -2.47 1.47 -0.14 -1.33 -4.36 -0.94 -5.03 121.20 108.40 1i6h s ILE 701 Ca 0.48 -2.12 -0.00 0.00 -0.26 0.00 0.00 60.65 58.75 1i6h s ILE 701 Cb 0.36 -1.93 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 1i6h s ILE 701 CO 0.15 -0.65 -0.13 -0.22 0.24 0.00 0.00 174.94 174.33 1i6h s LEU 702 N -3.20 2.68 -0.19 0.37 2.96 -1.26 -5.01 118.68 115.03 1i6h s LEU 702 Ca 0.19 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1i6h s LEU 702 Cb 0.00 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1i6h s LEU 702 CO 0.04 0.14 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.39 1i6h s ILE 703 N 0.51 2.04 0.18 6.68 1.01 -1.26 -1.82 121.20 128.54 1i6h s ILE 703 Ca -0.09 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.30 1i6h s ILE 703 Cb -0.16 -1.88 -0.08 0.00 0.01 0.00 0.00 42.46 40.35 1i6h s ILE 703 CO 0.04 0.47 0.82 0.00 0.00 0.00 0.00 174.94 176.27 1i6h s ALA 704 N 1.28 3.42 -0.00 9.38 0.00 -0.69 -4.83 121.76 130.32 1i6h s ALA 704 Ca 0.03 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 1i6h s ALA 704 Cb -0.14 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 1i6h s ALA 704 CO -0.12 0.27 0.51 1.98 0.00 0.00 0.00 175.76 178.40 1i6h h MET 705 N 4.30 -0.08 -5.91 0.00 4.05 -1.91 0.58 114.93 115.96 1i6h h MET 705 Ca -0.47 0.01 -0.62 0.00 -0.28 0.00 0.00 59.70 58.34 1i6h h MET 705 Cb 1.20 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.97 1i6h h MET 705 CO 0.67 -0.05 -0.36 -0.65 0.23 0.00 0.00 176.91 176.75 1i6h s GLN 706 N -2.17 3.63 -0.03 0.39 -0.21 -1.26 -3.76 119.66 116.25 1i6h s GLN 706 Ca -0.01 0.02 -0.10 0.00 0.02 0.00 0.00 55.36 55.29 1i6h s GLN 706 Cb 0.00 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.86 1i6h s GLN 706 CO 0.04 0.66 0.51 -1.00 -2.12 0.00 0.00 175.29 173.38 1i6h h PRO 707 N 4.17 -0.34 0.00 2.91 0.13 -1.86 -3.21 132.00 133.80 1i6h h PRO 707 Ca -0.51 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1i6h h PRO 707 Cb 1.20 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1i6h h PRO 707 CO 0.64 -0.23 0.00 -0.85 -0.23 0.00 0.00 178.00 177.34 1i6h n GLU 708 N -4.19 0.00 0.00 0.86 0.28 -1.26 -0.50 120.64 115.83 1i6h n GLU 708 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1i6h n GLU 708 Cb 0.14 -0.36 0.00 0.00 1.43 0.00 0.00 31.44 32.65 1i6h n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1i6h n ASP 709 N 0.00 0.00 0.00 -1.84 8.00 -1.26 -0.15 116.55 121.30 1i6h n ASP 709 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1i6h n ASP 709 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1i6h n ASP 709 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1i6h n LEU 710 N -0.59 1.32 -2.41 0.64 4.77 0.35 -4.66 117.00 116.42 1i6h n LEU 710 Ca 0.00 -1.32 0.01 0.00 -0.03 0.00 0.00 56.01 54.67 1i6h n LEU 710 Cb 0.19 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1i6h n LEU 710 CO 0.00 0.33 0.02 -0.62 -1.33 0.00 0.00 177.39 175.79 1i6h n GLU 711 N -0.27 1.23 -4.28 3.23 1.02 0.78 -4.86 120.64 117.50 1i6h n GLU 711 Ca 0.00 -3.06 -0.23 0.00 -0.02 0.00 0.00 57.16 53.85 1i6h n GLU 711 Cb 0.23 -1.13 -0.07 0.00 -0.02 0.00 0.00 31.44 30.44 1i6h n GLU 711 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1i6h s PRO 712 N -2.65 2.28 -0.04 3.49 0.04 -1.26 -5.01 135.00 131.85 1i6h s PRO 712 Ca 0.30 -1.47 -0.14 0.00 0.04 0.00 0.00 61.00 59.73 1i6h s PRO 712 Cb 0.34 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.69 1i6h s PRO 712 CO -0.08 0.31 0.38 0.00 0.04 0.00 0.00 177.00 177.65 1i6h s ALA 713 N -2.36 3.68 -0.14 8.56 0.00 -1.26 -5.02 121.76 125.23 1i6h s ALA 713 Ca 0.32 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 1i6h s ALA 713 Cb -0.05 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 1i6h s ALA 713 CO 0.20 0.41 1.46 -2.00 0.00 0.00 0.00 175.76 175.83 1i6h s GLU 714 N -0.75 4.13 0.00 0.00 2.12 -1.26 -5.25 118.70 117.70 1i6h s GLU 714 Ca 0.22 1.84 0.00 0.00 0.36 0.00 0.00 54.97 57.40 1i6h s GLU 714 Cb -0.16 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1i6h s GLU 714 CO 0.11 -0.87 0.50 0.00 -0.54 0.00 0.00 175.26 174.46 1i6h n ALA 715 N 7.13 -0.12 0.00 6.30 0.00 -1.26 -5.31 120.51 127.24 1i6h n ALA 715 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1i6h n ALA 715 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1i6h n ALA 715 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1i6h n ASP 722 N -1.00 0.00 -4.71 0.00 8.00 -1.26 -5.35 116.55 112.23 1i6h n ASP 722 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 1i6h n ASP 722 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1i6h n ASP 722 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1i6h s VAL 723 N -1.92 5.21 -0.33 2.53 1.01 -1.26 -5.00 120.40 120.63 1i6h s VAL 723 Ca 0.00 0.84 -0.37 0.00 0.00 0.00 0.00 61.98 62.46 1i6h s VAL 723 Cb 0.00 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.48 1i6h s VAL 723 CO 0.00 0.32 2.11 -0.67 0.00 0.00 0.00 175.10 176.86 1i6h n ASP 724 N 3.80 2.14 0.04 3.32 -0.08 -1.26 -4.83 116.55 119.68 1i6h n ASP 724 Ca -0.08 0.56 0.04 0.00 -1.51 0.00 0.00 54.79 53.80 1i6h n ASP 724 Cb 0.52 -1.22 0.19 0.00 2.34 0.00 0.00 41.12 42.94 1i6h n ASP 724 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1i6h n PRO 725 N 7.66 0.04 0.01 -0.67 -0.04 -1.26 -2.50 135.00 138.24 1i6h n PRO 725 Ca 0.39 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.43 1i6h n PRO 725 Cb 0.20 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 1i6h n PRO 725 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i6h n ALA 726 N -1.56 3.89 -1.83 0.55 0.00 -1.26 -4.92 120.51 115.38 1i6h n ALA 726 Ca 0.01 -0.50 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 1i6h n ALA 726 Cb 0.05 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 1i6h n ALA 726 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i6h s LYS 727 N -3.15 4.41 1.25 0.00 1.02 -1.04 -4.76 119.74 117.46 1i6h s LYS 727 Ca 0.04 1.20 -0.16 0.00 0.02 0.00 0.00 55.97 57.07 1i6h s LYS 727 Cb 0.15 -2.56 0.31 0.00 -0.52 0.00 0.00 37.83 35.21 1i6h s LYS 727 CO 0.84 0.17 1.00 -0.98 -0.92 0.00 0.00 175.35 175.46 1i6h s ARG 728 N -2.50 -1.56 -0.16 1.68 1.70 -1.26 -4.98 118.95 111.87 1i6h s ARG 728 Ca 0.54 0.57 -0.06 0.00 -0.47 0.00 0.00 55.73 56.31 1i6h s ARG 728 Cb -0.15 -1.50 -0.04 0.00 -0.57 0.00 0.00 34.95 32.70 1i6h s ARG 728 CO 0.19 -4.08 0.03 0.42 -1.08 0.00 0.00 175.30 170.79 1i6h s ILE 729 N -2.44 4.55 0.12 4.99 1.01 -1.26 -5.09 121.20 123.09 1i6h s ILE 729 Ca 0.68 -0.12 0.11 0.00 0.00 0.00 0.00 60.65 61.32 1i6h s ILE 729 Cb -0.21 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1i6h s ILE 729 CO 0.62 0.49 -0.27 -0.13 0.00 0.00 0.00 174.94 175.65 1i6h s ARG 730 N 0.20 1.44 0.00 2.79 0.52 -1.26 -5.13 118.95 117.52 1i6h s ARG 730 Ca 0.03 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.91 1i6h s ARG 730 Cb -0.13 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1i6h s ARG 730 CO 0.01 0.46 0.00 0.28 0.02 0.00 0.00 175.30 176.07 1i6h n VAL 731 N 1.01 0.00 -3.98 3.52 0.31 -1.26 -5.08 118.33 112.85 1i6h n VAL 731 Ca -0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1i6h n VAL 731 Cb 0.53 -0.05 -0.06 0.00 -0.91 0.00 0.00 33.84 33.35 1i6h n VAL 731 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1i6h s SER 732 N -1.45 -0.02 -1.29 4.52 0.01 -1.26 -5.05 113.70 109.15 1i6h s SER 732 Ca 0.00 -0.90 -0.08 0.00 1.31 0.00 0.00 55.95 56.27 1i6h s SER 732 Cb 0.00 0.49 0.16 0.00 0.21 0.00 0.00 66.02 66.88 1i6h s SER 732 CO 0.00 -0.99 2.01 0.00 0.41 0.00 0.00 173.24 174.67 1i6h n HIS 733 N -0.29 2.81 -2.90 2.43 1.44 -1.26 -4.92 115.22 112.54 1i6h n HIS 733 Ca -0.05 -2.79 -0.44 0.00 -2.01 0.00 0.00 57.72 52.44 1i6h n HIS 733 Cb 0.63 -1.91 -0.03 0.00 0.12 0.00 0.00 29.99 28.80 1i6h n HIS 733 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1i6h s HIS 734 N -0.06 3.00 0.00 -1.40 3.76 -1.26 -4.89 115.29 114.44 1i6h s HIS 734 Ca 0.43 -1.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 1i6h s HIS 734 Cb 0.12 -4.30 0.00 0.00 1.11 0.00 0.00 32.58 29.51 1i6h s HIS 734 CO -0.02 -1.54 0.00 0.00 -0.85 0.00 0.00 174.74 172.33 1i6h n ALA 735 N 6.89 0.00 -2.44 -1.40 0.00 -1.26 -5.01 120.51 117.29 1i6h n ALA 735 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 1i6h n ALA 735 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.94 1i6h n ALA 735 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1i6h n THR 736 N 0.00 5.73 0.00 0.00 -1.04 -1.26 -4.10 114.28 113.61 1i6h n THR 736 Ca 0.00 -5.39 0.00 0.00 -2.04 0.00 0.00 64.05 56.62 1i6h n THR 736 Cb 0.00 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.73 1i6h n THR 736 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1i6h n THR 737 N 0.72 0.00 -0.91 12.58 -1.04 -1.26 -5.11 114.28 119.26 1i6h n THR 737 Ca 0.51 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 62.16 1i6h n THR 737 Cb 0.26 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.72 1i6h n THR 737 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1i6h n PHE 738 N -0.06 0.52 -0.00 -1.42 0.99 -1.26 -4.74 117.46 111.49 1i6h n PHE 738 Ca 0.00 0.64 0.01 0.00 -0.00 0.00 0.00 57.45 58.10 1i6h n PHE 738 Cb 0.00 -1.25 -0.02 0.00 -1.00 0.00 0.00 39.48 37.21 1i6h n PHE 738 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1i6h n THR 739 N 1.20 0.02 -4.12 4.37 -2.24 -0.75 -4.67 114.28 108.09 1i6h n THR 739 Ca 0.13 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1i6h n THR 739 Cb 0.03 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.46 1i6h n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1i6h s HIS 740 N -2.20 0.85 -0.02 4.78 3.76 -1.00 -0.33 115.29 121.13 1i6h s HIS 740 Ca -0.01 -1.13 -0.05 0.00 -0.15 0.00 0.00 55.06 53.72 1i6h s HIS 740 Cb 0.02 -0.30 0.00 0.00 1.11 0.00 0.00 32.58 33.41 1i6h s HIS 740 CO 0.13 -0.74 0.11 0.00 -0.85 0.00 0.00 174.74 173.39 1i6h s GLU 742 N -0.60 4.28 0.15 0.00 2.56 0.20 -1.61 118.70 123.68 1i6h s GLU 742 Ca -0.07 2.26 -0.17 0.00 0.00 0.00 0.00 54.97 57.00 1i6h s GLU 742 Cb -0.04 -3.14 0.05 0.00 2.00 0.00 0.00 34.13 32.99 1i6h s GLU 742 CO 0.00 -0.44 1.75 0.82 -0.56 0.00 0.00 175.26 176.83 1i6h h ILE 743 N 3.75 0.90 -0.08 -3.70 1.08 -1.86 -3.44 117.51 114.16 1i6h h ILE 743 Ca -0.45 -0.09 0.29 0.00 -0.39 0.00 0.00 64.86 64.23 1i6h h ILE 743 Cb 1.21 0.62 -0.22 0.00 -3.07 0.00 0.00 36.82 35.36 1i6h h ILE 743 CO 0.82 0.05 0.33 -2.28 -0.69 0.00 0.00 178.15 176.37 1i6h s HIS 744 N -6.16 -0.10 0.38 1.37 2.46 -1.26 -4.79 115.29 107.18 1i6h s HIS 744 Ca -0.13 0.12 0.26 0.00 0.47 0.00 0.00 55.06 55.78 1i6h s HIS 744 Cb 0.12 0.04 1.32 0.00 -0.13 0.00 0.00 32.58 33.92 1i6h s HIS 744 CO 0.71 -0.06 1.44 -0.35 -2.47 0.00 0.00 174.74 174.01 1i6h n PRO 745 N 5.34 -0.04 0.10 2.88 -0.04 -1.26 0.23 135.00 142.21 1i6h n PRO 745 Ca -0.09 1.19 0.06 0.00 -0.04 0.00 0.00 63.50 64.62 1i6h n PRO 745 Cb 0.55 -2.27 0.32 0.00 -0.04 0.00 0.00 33.50 32.06 1i6h n PRO 745 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1i6h n SER 746 N -4.74 0.30 -0.00 3.54 3.41 -1.26 0.04 113.62 114.91 1i6h n SER 746 Ca 0.36 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.71 1i6h n SER 746 Cb 1.34 -0.62 0.62 0.00 -0.26 0.00 0.00 64.21 65.30 1i6h n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1i6h n MET 747 N -1.90 0.04 0.10 4.33 2.81 0.64 -2.82 117.12 120.32 1i6h n MET 747 Ca -0.01 -0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.98 1i6h n MET 747 Cb 0.10 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.55 1i6h n MET 747 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1i6h n ILE 748 N -1.48 0.91 -2.35 2.02 -5.35 0.11 -3.89 119.36 109.34 1i6h n ILE 748 Ca 0.08 0.27 -0.26 0.00 -0.27 0.00 0.00 62.75 62.57 1i6h n ILE 748 Cb 0.33 -1.16 0.14 0.00 -1.74 0.00 0.00 39.64 37.21 1i6h n ILE 748 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1i6h s LEU 749 N -4.06 2.88 0.11 7.28 1.43 -1.13 -4.17 118.68 121.02 1i6h s LEU 749 Ca 0.04 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1i6h s LEU 749 Cb 0.09 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1i6h s LEU 749 CO 0.34 -2.20 0.05 -0.83 0.23 0.00 0.00 176.35 173.94 1i6h s GLY 750 N -4.80 0.76 0.00 -3.19 0.00 -1.26 -1.36 107.32 97.47 1i6h s GLY 750 Ca 0.69 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1i6h s GLY 750 CO 0.48 -1.29 0.00 -0.62 0.00 0.00 0.00 173.10 171.66 1i6h n VAL 751 N -0.03 0.00 -0.09 1.40 0.31 -1.26 -1.59 118.33 117.07 1i6h n VAL 751 Ca -0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.21 1i6h n VAL 751 Cb 0.63 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.53 1i6h n VAL 751 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i6h h ALA 752 N 0.00 -0.26 -0.13 3.52 0.00 -1.91 0.14 119.26 120.63 1i6h h ALA 752 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1i6h h ALA 752 Cb 0.00 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1i6h h ALA 752 CO 0.00 -0.36 0.17 0.00 0.00 0.00 0.00 179.25 179.06 1i6h h ALA 753 N -0.72 1.66 -0.23 0.00 0.00 -1.64 -2.19 119.26 116.14 1i6h h ALA 753 Ca 0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1i6h h ALA 753 Cb 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1i6h h ALA 753 CO -0.22 -0.24 0.24 0.77 0.00 0.00 0.00 179.25 179.80 1i6h h SER 754 N 0.00 0.00 -0.12 0.00 0.02 0.31 -1.18 113.55 112.59 1i6h h SER 754 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1i6h h SER 754 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1i6h h SER 754 CO -0.00 0.00 0.00 -0.38 -1.14 0.00 0.00 176.83 175.31 1i6h n ILE 755 N -3.82 0.14 -2.92 3.27 5.41 -0.82 -4.70 119.36 115.92 1i6h n ILE 755 Ca 0.03 -0.32 -0.41 0.00 1.00 0.00 0.00 62.75 63.05 1i6h n ILE 755 Cb 0.38 0.44 -0.04 0.00 -0.71 0.00 0.00 39.64 39.71 1i6h n ILE 755 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1i6h s ILE 756 N -1.86 4.96 -0.02 1.39 1.01 -0.45 -4.97 121.20 121.26 1i6h s ILE 756 Ca 0.34 1.65 -0.26 0.00 0.00 0.00 0.00 60.65 62.38 1i6h s ILE 756 Cb 0.19 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1i6h s ILE 756 CO 0.29 0.17 0.83 -2.16 0.00 0.00 0.00 174.94 174.07 1i6h s PRO 757 N 1.21 4.50 -1.47 2.79 0.04 -1.26 -3.97 135.00 136.84 1i6h s PRO 757 Ca 0.41 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 1i6h s PRO 757 Cb -0.18 -3.44 0.06 0.00 0.04 0.00 0.00 34.50 30.97 1i6h s PRO 757 CO 0.19 0.05 0.87 1.19 0.04 0.00 0.00 177.00 179.33 1i6h n PHE 758 N 3.69 -2.26 0.33 0.56 0.99 -0.38 -4.78 117.46 115.62 1i6h n PHE 758 Ca 0.02 0.78 0.01 0.00 -0.00 0.00 0.00 57.45 58.26 1i6h n PHE 758 Cb 0.51 -4.07 0.06 0.00 -1.00 0.00 0.00 39.48 34.98 1i6h n PHE 758 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1i6h n PRO 759 N -4.46 0.17 -0.74 -1.08 -0.04 -1.25 -0.47 135.00 127.12 1i6h n PRO 759 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1i6h n PRO 759 Cb 0.55 -1.18 0.30 0.00 -0.04 0.00 0.00 33.50 33.13 1i6h n PRO 759 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1i6h n ASP 760 N -0.68 4.42 -0.90 3.54 5.75 -1.26 -3.81 116.55 123.60 1i6h n ASP 760 Ca 0.01 -3.13 0.02 0.00 -0.01 0.00 0.00 54.79 51.68 1i6h n ASP 760 Cb 0.01 -0.64 0.01 0.00 -1.03 0.00 0.00 41.12 39.47 1i6h n ASP 760 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1i6h n HIS 761 N -0.23 0.00 -4.39 2.11 8.25 0.38 -5.08 115.22 116.26 1i6h n HIS 761 Ca 0.29 -0.23 -0.19 0.00 -0.26 0.00 0.00 57.72 57.32 1i6h n HIS 761 Cb 1.11 -0.09 -0.15 0.00 1.12 0.00 0.00 29.99 31.98 1i6h n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1i6h s ASN 762 N -1.46 1.14 0.08 0.41 -0.87 -1.25 -2.28 114.94 110.71 1i6h s ASN 762 Ca 0.15 -0.18 -0.31 0.00 -1.57 0.00 0.00 52.86 50.95 1i6h s ASN 762 Cb 0.17 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.25 41.10 1i6h s ASN 762 CO -0.07 0.10 1.88 1.67 -2.57 0.00 0.00 177.10 178.11 1i6h n GLN 763 N 3.00 2.75 -0.01 -0.60 7.27 -1.18 -4.87 117.38 123.73 1i6h n GLN 763 Ca -0.15 1.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.92 1i6h n GLN 763 Cb 0.56 -2.91 -0.00 0.00 2.41 0.00 0.00 30.24 30.30 1i6h n GLN 763 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1i6h n SER 764 N 6.25 -0.02 0.22 1.69 7.64 -1.26 -0.10 113.62 128.05 1i6h n SER 764 Ca 0.19 0.07 0.07 0.00 1.01 0.00 0.00 58.87 60.21 1i6h n SER 764 Cb 0.37 -0.02 0.59 0.00 -1.01 0.00 0.00 64.21 64.14 1i6h n SER 764 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1i6h h PRO 765 N 0.00 0.06 0.00 1.43 0.13 -2.00 -2.21 132.00 129.41 1i6h h PRO 765 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1i6h h PRO 765 Cb 0.01 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 1i6h h PRO 765 CO -0.01 0.07 -0.07 0.00 -0.23 0.00 0.00 178.00 177.76 1i6h h ARG 766 N 0.06 0.00 -0.11 0.86 2.47 -0.86 -0.43 114.38 116.37 1i6h h ARG 766 Ca 0.02 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.56 1i6h h ARG 766 Cb 0.05 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1i6h h ARG 766 CO 0.00 0.07 -0.68 -0.91 0.56 0.00 0.00 179.97 179.01 1i6h h ASN 767 N 0.00 0.53 -0.09 7.04 2.35 -1.42 -2.55 115.58 121.44 1i6h h ASN 767 Ca -0.00 -0.33 -0.17 0.00 -0.55 0.00 0.00 56.30 55.25 1i6h h ASN 767 Cb 0.27 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1i6h h ASN 767 CO 0.01 1.06 -0.55 0.74 -1.65 0.00 0.00 177.43 177.03 1i6h h THR 768 N 0.32 1.30 0.64 2.81 2.02 -1.17 -2.18 112.91 116.66 1i6h h THR 768 Ca -0.02 -1.78 -0.03 0.00 0.77 0.00 0.00 66.41 65.35 1i6h h THR 768 Cb 1.25 1.72 0.01 0.00 -1.74 0.00 0.00 68.15 69.39 1i6h h THR 768 CO 0.12 0.56 -0.31 1.88 0.37 0.00 0.00 175.52 178.15 1i6h h TYR 769 N 0.52 -0.80 -0.89 3.16 0.99 -1.22 -2.52 116.97 116.20 1i6h h TYR 769 Ca 0.01 -0.02 0.18 0.00 2.00 0.00 0.00 58.73 60.90 1i6h h TYR 769 Cb 1.12 0.26 -0.11 0.00 1.00 0.00 0.00 36.73 39.01 1i6h h TYR 769 CO 0.06 -0.48 0.45 0.37 -0.00 0.00 0.00 178.16 178.56 1i6h h GLN 770 N -0.92 0.55 -0.20 4.88 5.75 -1.44 0.29 115.11 124.01 1i6h h GLN 770 Ca -0.09 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1i6h h GLN 770 Cb 0.68 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1i6h h GLN 770 CO 0.14 0.36 0.09 0.77 -2.65 0.00 0.00 178.83 177.55 1i6h h SER 771 N 0.56 0.24 1.61 -0.69 0.02 -1.15 -0.44 113.55 113.71 1i6h h SER 771 Ca 0.52 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.42 1i6h h SER 771 Cb 0.86 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1i6h h SER 771 CO -0.43 0.22 -0.18 0.00 -1.14 0.00 0.00 176.83 175.29 1i6h h ALA 772 N 1.83 0.90 0.00 3.77 0.00 -0.03 -3.30 119.26 122.42 1i6h h ALA 772 Ca 0.07 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1i6h h ALA 772 Cb 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1i6h h ALA 772 CO -0.01 0.23 -1.50 -1.33 0.00 0.00 0.00 179.25 176.64 1i6h n MET 773 N -3.18 0.63 0.20 0.00 2.00 -0.54 -3.90 117.12 112.34 1i6h n MET 773 Ca 0.03 0.14 0.14 0.00 0.00 0.00 0.00 57.70 58.00 1i6h n MET 773 Cb 0.56 -1.75 0.70 0.00 0.00 0.00 0.00 33.22 32.73 1i6h n MET 773 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1i6h h GLY 774 N 3.82 0.00 -1.27 3.03 0.00 -1.20 0.14 103.07 107.59 1i6h h GLY 774 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1i6h h GLY 774 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 1i6h n LYS 775 N -2.45 1.97 0.00 4.80 5.02 -1.25 -3.60 118.16 122.65 1i6h n LYS 775 Ca -0.01 -1.46 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 1i6h n LYS 775 Cb 0.08 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1i6h n LYS 775 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1i6h n GLN 776 N 0.69 0.91 -1.85 1.97 6.02 0.48 -4.77 117.38 120.83 1i6h n GLN 776 Ca 0.17 -0.92 -0.32 0.00 -0.01 0.00 0.00 57.00 55.92 1i6h n GLN 776 Cb 0.42 -0.94 0.02 0.00 1.02 0.00 0.00 30.24 30.76 1i6h n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1i6h s ALA 777 N -0.45 2.75 0.31 -1.58 0.00 -1.10 -1.06 121.76 120.63 1i6h s ALA 777 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.25 1i6h s ALA 777 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1i6h s ALA 777 CO 0.00 -0.94 0.32 -1.64 0.00 0.00 0.00 175.76 173.49 1i6h s MET 778 N -4.55 2.93 0.00 0.00 -1.94 -1.03 -4.41 119.30 110.30 1i6h s MET 778 Ca 0.60 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 1i6h s MET 778 Cb -0.14 -2.62 0.00 0.00 2.01 0.00 0.00 34.83 34.08 1i6h s MET 778 CO 0.45 0.19 0.00 0.41 -0.01 0.00 0.00 175.02 176.07 1i6h n GLY 779 N -1.39 -1.13 3.54 -0.03 0.00 -1.26 -3.42 105.19 101.51 1i6h n GLY 779 Ca -0.04 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 1i6h n GLY 779 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i6h s VAL 780 N -2.69 4.65 -0.74 1.61 1.01 -1.25 -3.73 120.40 119.25 1i6h s VAL 780 Ca 0.00 0.42 0.26 0.00 0.00 0.00 0.00 61.98 62.67 1i6h s VAL 780 Cb 0.00 -4.32 0.29 0.00 0.00 0.00 0.00 36.38 32.34 1i6h s VAL 780 CO 0.00 -0.72 1.78 2.22 0.00 0.00 0.00 175.10 178.38 1i6h n PHE 781 N 6.72 0.91 -3.64 5.22 1.16 -1.26 -4.36 117.46 122.20 1i6h n PHE 781 Ca 0.02 0.26 -0.04 0.00 -1.87 0.00 0.00 57.45 55.83 1i6h n PHE 781 Cb 0.48 -0.93 -0.07 0.00 -1.61 0.00 0.00 39.48 37.35 1i6h n PHE 781 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1i6h s LEU 782 N -4.49 -0.45 0.37 5.98 1.43 -1.26 -4.25 118.68 116.01 1i6h s LEU 782 Ca 0.11 0.76 0.21 0.00 -1.03 0.00 0.00 54.13 54.17 1i6h s LEU 782 Cb 0.12 1.72 1.13 0.00 0.03 0.00 0.00 46.19 49.19 1i6h s LEU 782 CO 0.59 -0.12 1.60 0.71 0.23 0.00 0.00 176.35 179.36 1i6h h THR 783 N 4.56 0.00 -0.72 5.49 1.35 -1.98 -1.60 112.91 120.01 1i6h h THR 783 Ca -0.28 0.00 -0.41 0.00 -0.55 0.00 0.00 66.41 65.17 1i6h h THR 783 Cb 1.19 0.46 -0.24 0.00 -1.73 0.00 0.00 68.15 67.83 1i6h h THR 783 CO 0.18 0.00 0.27 -0.46 -0.25 0.00 0.00 175.52 175.25 1i6h n ASN 784 N -2.28 3.98 0.33 5.36 6.94 -1.26 -4.64 115.26 123.68 1i6h n ASN 784 Ca -0.01 -3.73 0.21 0.00 -0.02 0.00 0.00 54.58 51.03 1i6h n ASN 784 Cb 0.16 -0.74 1.12 0.00 -2.36 0.00 0.00 39.78 37.96 1i6h n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1i6h h TYR 785 N 1.27 0.00 0.00 -2.53 -0.00 -1.66 -1.86 116.97 112.18 1i6h h TYR 785 Ca 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.10 1i6h h TYR 785 Cb 1.94 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.66 1i6h h TYR 785 CO 1.29 0.00 -0.34 -0.97 -0.00 0.00 0.00 178.16 178.14 1i6h h ASN 786 N 0.00 0.00 -0.33 0.10 -1.24 -1.86 -3.21 115.58 109.04 1i6h h ASN 786 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1i6h h ASN 786 Cb 0.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1i6h h ASN 786 CO 0.00 0.34 0.00 0.52 -1.29 0.00 0.00 177.43 177.00 1i6h n VAL 787 N -3.19 0.41 -4.54 2.57 0.31 -0.71 -4.89 118.33 108.30 1i6h n VAL 787 Ca 0.03 -0.69 -0.33 0.00 -0.01 0.00 0.00 64.34 63.33 1i6h n VAL 787 Cb 0.67 1.03 -0.13 0.00 -0.91 0.00 0.00 33.84 34.49 1i6h n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1i6h s ARG 788 N -1.59 3.53 -0.65 5.55 0.52 -1.18 -5.05 118.95 120.09 1i6h s ARG 788 Ca 0.37 -0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 54.86 1i6h s ARG 788 Cb 0.22 -2.80 0.17 0.00 0.52 0.00 0.00 34.95 33.06 1i6h s ARG 788 CO 0.31 0.21 0.57 -1.64 0.02 0.00 0.00 175.30 174.77 1i6h s MET 789 N 0.41 3.09 0.04 3.54 -1.94 -1.26 -4.97 119.30 118.21 1i6h s MET 789 Ca -0.07 -2.09 0.01 0.00 -1.71 0.00 0.00 55.69 51.84 1i6h s MET 789 Cb -0.15 -4.23 -0.02 0.00 2.01 0.00 0.00 34.83 32.44 1i6h s MET 789 CO 0.04 -1.28 -0.06 0.16 -0.01 0.00 0.00 175.02 173.87 1i6h s ASP 790 N 2.60 0.65 -0.70 3.03 3.84 -1.26 -4.95 116.67 119.87 1i6h s ASP 790 Ca 0.11 -0.55 -0.30 0.00 -0.00 0.00 0.00 52.55 51.81 1i6h s ASP 790 Cb -0.21 0.06 -0.14 0.00 -1.38 0.00 0.00 42.92 41.25 1i6h s ASP 790 CO -0.03 -0.25 2.52 0.35 -0.00 0.00 0.00 175.17 177.76 1i6h n THR 791 N 1.46 -0.02 -1.56 2.11 -2.24 -1.26 -4.21 114.28 108.56 1i6h n THR 791 Ca -0.23 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1i6h n THR 791 Cb 0.55 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 1i6h n THR 791 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1i6h n MET 792 N 8.67 -4.40 -3.70 -0.78 2.81 -1.15 -4.95 117.12 113.61 1i6h n MET 792 Ca 0.51 3.20 -0.11 0.00 -1.81 0.00 0.00 57.70 59.49 1i6h n MET 792 Cb 0.27 -3.54 -0.11 0.00 -0.71 0.00 0.00 33.22 29.13 1i6h n MET 792 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i6h s ALA 793 N -2.17 -0.96 -0.20 3.04 0.00 -0.22 -4.96 121.76 116.29 1i6h s ALA 793 Ca 0.00 1.42 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 1i6h s ALA 793 Cb 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1i6h s ALA 793 CO 0.00 -0.25 -0.10 -0.80 0.00 0.00 0.00 175.76 174.61 1i6h s ASN 794 N 1.34 3.94 -0.00 0.00 0.01 -1.26 -1.51 114.94 117.46 1i6h s ASN 794 Ca -0.09 -0.46 0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1i6h s ASN 794 Cb -0.09 -1.65 -0.02 0.00 0.41 0.00 0.00 41.25 39.90 1i6h s ASN 794 CO -0.12 0.00 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.65 1i6h s ILE 795 N 1.31 1.55 0.12 0.60 1.09 -1.12 -4.02 121.20 120.72 1i6h s ILE 795 Ca 0.04 -0.90 -0.28 0.00 -1.10 0.00 0.00 60.65 58.41 1i6h s ILE 795 Cb -0.14 -1.30 -0.06 0.00 -1.06 0.00 0.00 42.46 39.90 1i6h s ILE 795 CO -0.05 0.38 0.87 -0.22 -0.10 0.00 0.00 174.94 175.83 1i6h s LEU 796 N -0.60 4.52 0.10 2.97 2.96 -1.24 -1.18 118.68 126.20 1i6h s LEU 796 Ca 0.07 1.69 -0.21 0.00 -0.22 0.00 0.00 54.13 55.46 1i6h s LEU 796 Cb -0.08 -3.44 -0.09 0.00 0.50 0.00 0.00 46.19 43.08 1i6h s LEU 796 CO -0.00 0.03 1.69 1.88 -1.32 0.00 0.00 176.35 178.63 1i6h h TYR 797 N 5.24 0.22 -2.14 5.38 -1.99 -1.39 -3.37 116.97 118.92 1i6h h TYR 797 Ca -0.44 -0.01 -0.58 0.00 2.00 0.00 0.00 58.73 59.71 1i6h h TYR 797 Cb 1.21 -0.07 -0.40 0.00 2.00 0.00 0.00 36.73 39.47 1i6h h TYR 797 CO 0.64 0.22 -0.90 0.66 -0.00 0.00 0.00 178.16 178.79 1i6h n TYR 798 N -4.92 1.15 -1.72 4.88 4.02 -1.26 -5.09 117.16 114.21 1i6h n TYR 798 Ca -0.04 -3.78 -0.40 0.00 -0.01 0.00 0.00 57.90 53.66 1i6h n TYR 798 Cb 0.07 -0.39 0.02 0.00 -0.02 0.00 0.00 39.34 39.03 1i6h n TYR 798 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1i6h n PRO 799 N 1.34 1.89 -4.67 -0.72 -0.02 -1.26 -4.92 135.00 126.64 1i6h n PRO 799 Ca 0.25 0.68 -0.24 0.00 -2.02 0.00 0.00 63.50 62.17 1i6h n PRO 799 Cb 0.48 -2.48 -0.16 0.00 -0.02 0.00 0.00 33.50 31.32 1i6h n PRO 799 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1i6h s GLN 800 N -2.47 1.41 0.37 -0.52 -0.21 -1.15 -4.99 119.66 112.09 1i6h s GLN 800 Ca 0.65 -0.50 -0.26 0.00 0.02 0.00 0.00 55.36 55.27 1i6h s GLN 800 Cb -0.46 -1.27 -0.09 0.00 1.00 0.00 0.00 33.01 32.18 1i6h s GLN 800 CO 0.55 0.22 1.10 -1.59 -2.12 0.00 0.00 175.29 173.44 1i6h s LYS 801 N 0.02 4.26 0.29 2.91 -2.85 -1.26 -4.64 119.74 118.47 1i6h s LYS 801 Ca -0.02 1.69 -0.29 0.00 -1.00 0.00 0.00 55.97 56.35 1i6h s LYS 801 Cb -0.10 -2.76 -0.10 0.00 -2.06 0.00 0.00 37.83 32.82 1i6h s LYS 801 CO 0.01 -0.10 1.28 -1.25 0.10 0.00 0.00 175.35 175.40 1i6h s PRO 802 N -2.14 4.40 0.55 1.78 0.04 -1.26 -4.87 135.00 133.50 1i6h s PRO 802 Ca 0.54 2.12 0.29 0.00 0.04 0.00 0.00 61.00 63.99 1i6h s PRO 802 Cb -0.27 -3.12 1.63 0.00 0.04 0.00 0.00 34.50 32.78 1i6h s PRO 802 CO 0.35 -0.15 2.15 -0.07 0.04 0.00 0.00 177.00 179.31 1i6h h LEU 803 N 3.97 0.00 -8.05 -3.56 3.38 -1.93 -3.36 115.31 105.76 1i6h h LEU 803 Ca -0.47 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 56.79 1i6h h LEU 803 Cb 1.22 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.67 1i6h h LEU 803 CO 0.69 0.07 -0.51 -0.83 0.09 0.00 0.00 178.44 177.95 1i6h s GLY 804 N -4.16 1.95 0.56 0.83 0.00 -1.26 -0.77 107.32 104.46 1i6h s GLY 804 Ca -0.04 -2.18 0.08 0.00 0.00 0.00 0.00 44.72 42.58 1i6h s GLY 804 CO 0.56 0.95 0.61 -0.51 0.00 0.00 0.00 173.10 174.71 1i6h s THR 805 N 1.35 1.90 -0.04 0.90 -4.23 -0.10 -4.83 115.64 110.58 1i6h s THR 805 Ca 0.03 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1i6h s THR 805 Cb -0.23 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.49 1i6h s THR 805 CO 0.00 0.00 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.10 1i6h s THR 806 N -2.72 0.90 -1.63 3.99 2.01 -1.26 -1.09 115.64 115.84 1i6h s THR 806 Ca 0.48 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1i6h s THR 806 Cb -0.04 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.65 1i6h s THR 806 CO 0.30 0.29 0.35 0.54 -0.69 0.00 0.00 174.62 175.41 1i6h n ARG 807 N 3.53 0.00 -0.05 4.92 5.12 -1.26 0.47 116.66 129.39 1i6h n ARG 807 Ca -0.21 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.75 1i6h n ARG 807 Cb 0.53 -1.43 0.06 0.00 -1.16 0.00 0.00 32.46 30.46 1i6h n ARG 807 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i6h n ALA 808 N -0.84 2.30 0.13 7.54 0.00 -1.26 -4.42 120.51 123.96 1i6h n ALA 808 Ca 0.00 -0.82 0.09 0.00 0.00 0.00 0.00 53.44 52.71 1i6h n ALA 808 Cb 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 19.45 19.25 1i6h n ALA 808 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1i6h h MET 809 N 1.26 0.00 -0.01 0.00 2.86 -0.26 -3.27 114.93 115.51 1i6h h MET 809 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1i6h h MET 809 Cb 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1i6h h MET 809 CO 0.00 0.08 -0.09 1.49 1.06 0.00 0.00 176.91 179.45 1i6h h GLU 810 N 0.00 0.02 0.00 1.72 4.81 -1.77 -2.20 114.58 117.16 1i6h h GLU 810 Ca -0.02 -0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.00 1i6h h GLU 810 Cb 1.10 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1i6h h GLU 810 CO 0.01 0.11 -1.54 0.66 -0.73 0.00 0.00 179.01 177.52 1i6h n TYR 811 N -4.42 0.94 1.38 0.92 4.02 -1.24 -3.72 117.16 115.03 1i6h n TYR 811 Ca -0.03 0.32 0.02 0.00 -0.01 0.00 0.00 57.90 58.20 1i6h n TYR 811 Cb 0.17 -1.10 0.06 0.00 -0.02 0.00 0.00 39.34 38.45 1i6h n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1i6h n LEU 812 N -2.91 0.96 -1.39 7.72 4.77 -0.87 -4.87 117.00 120.40 1i6h n LEU 812 Ca -0.12 -0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 55.28 1i6h n LEU 812 Cb 0.90 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.77 1i6h n LEU 812 CO 0.43 0.21 -0.10 0.29 -1.33 0.00 0.00 177.39 176.90 1i6h n LYS 813 N -0.05 -1.32 -0.00 3.23 4.76 -0.94 -4.85 118.16 118.98 1i6h n LYS 813 Ca 0.05 0.58 -0.09 0.00 -2.87 0.00 0.00 58.31 55.98 1i6h n LYS 813 Cb 0.18 -4.80 -0.03 0.00 -1.84 0.00 0.00 35.03 28.53 1i6h n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1i6h h PHE 814 N 0.00 -0.35 -0.04 2.13 3.57 -1.82 -1.41 116.94 119.02 1i6h h PHE 814 Ca -0.21 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.33 1i6h h PHE 814 Cb 0.70 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1i6h h PHE 814 CO 0.32 -0.20 0.09 0.00 -2.23 0.00 0.00 178.31 176.29 1i6h h ARG 815 N -0.17 0.00 0.01 1.11 3.08 -1.89 0.80 114.38 117.32 1i6h h ARG 815 Ca 0.09 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.87 1i6h h ARG 815 Cb 0.30 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1i6h h ARG 815 CO -0.23 0.00 -1.50 0.93 -1.07 0.00 0.00 179.97 178.10 1i6h h GLU 816 N 0.00 0.02 -1.98 0.04 3.07 -1.65 -3.39 114.58 110.69 1i6h h GLU 816 Ca 0.02 -0.03 -0.51 0.00 -0.50 0.00 0.00 59.36 58.34 1i6h h GLU 816 Cb 0.20 0.01 -0.41 0.00 -0.84 0.00 0.00 28.75 27.72 1i6h h GLU 816 CO -0.00 0.69 -1.02 1.28 -1.40 0.00 0.00 179.01 178.56 1i6h n LEU 817 N -3.17 2.08 -4.67 1.33 4.77 -0.78 -5.08 117.00 111.49 1i6h n LEU 817 Ca -0.12 -5.10 -0.35 0.00 -0.03 0.00 0.00 56.01 50.40 1i6h n LEU 817 Cb 1.02 0.28 0.10 0.00 -2.33 0.00 0.00 43.42 42.49 1i6h n LEU 817 CO 0.46 2.25 0.71 -0.81 -1.33 0.00 0.00 177.39 178.66 1i6h n PRO 818 N 0.07 0.50 -3.62 3.23 -0.04 0.20 -4.67 135.00 130.68 1i6h n PRO 818 Ca 0.26 0.24 -0.29 0.00 -0.04 0.00 0.00 63.50 63.66 1i6h n PRO 818 Cb 0.60 -2.38 -0.13 0.00 -0.04 0.00 0.00 33.50 31.55 1i6h n PRO 818 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1i6h s ALA 819 N -1.85 1.75 0.00 0.55 0.00 -1.26 -3.90 121.76 117.04 1i6h s ALA 819 Ca 0.75 -2.37 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1i6h s ALA 819 Cb -0.33 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1i6h s ALA 819 CO 0.48 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.58 1i6h n GLY 820 N 3.64 4.07 3.52 0.00 0.00 -1.22 -4.76 105.19 110.44 1i6h n GLY 820 Ca 0.11 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.48 1i6h n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i6h s GLN 821 N -2.74 1.85 -1.11 1.61 -0.21 0.32 -2.95 119.66 116.43 1i6h s GLN 821 Ca 0.00 -1.66 -0.08 0.00 0.02 0.00 0.00 55.36 53.64 1i6h s GLN 821 Cb 0.00 -1.89 0.29 0.00 1.00 0.00 0.00 33.01 32.41 1i6h s GLN 821 CO 0.00 0.34 1.23 0.09 -2.12 0.00 0.00 175.29 174.83 1i6h n ASN 822 N -0.67 5.77 -4.80 5.90 3.02 -1.26 -0.55 115.26 122.67 1i6h n ASN 822 Ca -0.06 -3.14 -0.35 0.00 -0.03 0.00 0.00 54.58 51.00 1i6h n ASN 822 Cb 0.60 -1.35 -0.06 0.00 -0.61 0.00 0.00 39.78 38.35 1i6h n ASN 822 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i6h s ALA 823 N -1.66 3.11 -0.54 5.41 0.00 -1.21 -4.75 121.76 122.12 1i6h s ALA 823 Ca 0.31 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.49 1i6h s ALA 823 Cb -0.06 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.92 1i6h s ALA 823 CO -0.03 0.11 1.05 0.42 0.00 0.00 0.00 175.76 177.31 1i6h s ILE 824 N -1.91 4.26 0.07 0.00 -1.09 -1.26 -1.14 121.20 120.12 1i6h s ILE 824 Ca 0.57 0.68 0.02 0.00 -2.23 0.00 0.00 60.65 59.69 1i6h s ILE 824 Cb -0.14 -4.59 -0.04 0.00 -1.58 0.00 0.00 42.46 36.11 1i6h s ILE 824 CO 0.19 -1.13 0.13 -0.69 -1.23 0.00 0.00 174.94 172.20 1i6h s VAL 825 N 4.31 4.87 -0.10 2.92 1.01 0.15 -0.33 120.40 133.23 1i6h s VAL 825 Ca 0.38 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1i6h s VAL 825 Cb -0.10 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1i6h s VAL 825 CO 0.24 0.14 -0.05 0.00 0.00 0.00 0.00 175.10 175.42 1i6h s ALA 826 N -1.43 1.14 -0.65 5.51 0.00 -0.18 -2.48 121.76 123.68 1i6h s ALA 826 Ca 0.31 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 1i6h s ALA 826 Cb -0.12 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.19 1i6h s ALA 826 CO 0.24 -0.43 1.02 0.42 0.00 0.00 0.00 175.76 177.01 1i6h s ILE 827 N 1.79 4.23 -0.14 0.00 1.01 -1.08 -0.81 121.20 126.19 1i6h s ILE 827 Ca 0.05 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 1i6h s ILE 827 Cb -0.12 -4.69 0.08 0.00 0.01 0.00 0.00 42.46 37.73 1i6h s ILE 827 CO -0.07 -1.45 0.77 0.00 0.00 0.00 0.00 174.94 174.19 1i6h s ALA 828 N 4.35 -1.82 -0.46 9.38 0.00 0.27 -4.20 121.76 129.28 1i6h s ALA 828 Ca 0.27 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.53 1i6h s ALA 828 Cb -0.14 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1i6h s ALA 828 CO 0.13 -0.34 1.23 0.00 0.00 0.00 0.00 175.76 176.78 1i6h n TYR 830 N 8.19 0.00 0.03 0.00 9.36 -1.26 -4.85 117.16 128.64 1i6h n TYR 830 Ca 0.13 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.36 1i6h n TYR 830 Cb 0.49 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.21 1i6h n TYR 830 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1i6h n SER 831 N 0.00 0.00 -0.12 2.98 3.41 -1.26 -4.70 113.62 113.93 1i6h n SER 831 Ca 0.00 0.07 -0.02 0.00 -0.26 0.00 0.00 58.87 58.66 1i6h n SER 831 Cb 0.00 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 1i6h n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i6h n GLY 832 N -1.04 0.53 2.20 5.00 0.00 -1.26 -4.91 105.19 105.71 1i6h n GLY 832 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1i6h n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i6h n TYR 833 N -2.90 3.02 -2.69 1.61 4.02 -1.26 -4.48 117.16 114.49 1i6h n TYR 833 Ca -0.02 -2.69 -0.06 0.00 -0.01 0.00 0.00 57.90 55.13 1i6h n TYR 833 Cb 0.08 -1.16 0.11 0.00 -0.02 0.00 0.00 39.34 38.36 1i6h n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1i6h n ASN 834 N -0.92 -1.34 -4.87 7.72 0.23 -1.26 -4.46 115.26 110.37 1i6h n ASN 834 Ca 0.58 -2.40 -0.21 0.00 -0.53 0.00 0.00 54.58 52.01 1i6h n ASN 834 Cb 0.84 0.73 0.07 0.00 -2.08 0.00 0.00 39.78 39.34 1i6h n ASN 834 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1i6h s GLN 835 N -0.30 2.13 -0.96 -3.83 -0.21 -1.24 -3.82 119.66 111.44 1i6h s GLN 835 Ca 0.19 -1.22 -0.04 0.00 0.02 0.00 0.00 55.36 54.32 1i6h s GLN 835 Cb 0.42 -2.49 0.01 0.00 1.00 0.00 0.00 33.01 31.94 1i6h s GLN 835 CO -0.09 -1.03 0.07 0.39 -2.12 0.00 0.00 175.29 172.52 1i6h n GLU 836 N -2.48 -0.89 -1.12 2.91 -0.58 -1.26 0.15 120.64 117.38 1i6h n GLU 836 Ca 0.13 0.02 -0.04 0.00 -0.42 0.00 0.00 57.16 56.85 1i6h n GLU 836 Cb 0.61 -2.13 -0.02 0.00 -0.57 0.00 0.00 31.44 29.33 1i6h n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1i6h n ASP 837 N -1.64 -3.73 -4.89 1.62 8.00 -1.26 -4.99 116.55 109.66 1i6h n ASP 837 Ca -0.19 0.10 -0.36 0.00 0.71 0.00 0.00 54.79 55.06 1i6h n ASP 837 Cb 0.44 -1.60 -0.06 0.00 -0.02 0.00 0.00 41.12 39.88 1i6h n ASP 837 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1i6h s SER 838 N -2.67 6.39 0.15 -2.24 1.04 0.12 -2.97 113.70 113.53 1i6h s SER 838 Ca 0.00 0.44 0.10 0.00 0.48 0.00 0.00 55.95 56.97 1i6h s SER 838 Cb 0.00 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 1i6h s SER 838 CO 0.00 0.35 -0.22 0.00 0.98 0.00 0.00 173.24 174.35 1i6h s MET 839 N -1.37 1.59 -0.22 4.02 0.23 0.15 -3.61 119.30 120.09 1i6h s MET 839 Ca 0.20 -1.35 -0.14 0.00 -1.03 0.00 0.00 55.69 53.37 1i6h s MET 839 Cb -0.12 -1.96 -0.04 0.00 -1.53 0.00 0.00 34.83 31.17 1i6h s MET 839 CO 0.10 0.44 0.30 0.42 -2.03 0.00 0.00 175.02 174.25 1i6h s ILE 840 N -1.32 5.27 -0.01 3.16 1.01 -0.54 -0.96 121.20 127.81 1i6h s ILE 840 Ca 0.18 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.37 1i6h s ILE 840 Cb -0.09 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 1i6h s ILE 840 CO 0.09 0.29 -0.18 -0.32 0.00 0.00 0.00 174.94 174.83 1i6h s MET 841 N 1.18 2.29 -0.48 2.79 1.75 -1.08 0.37 119.30 126.12 1i6h s MET 841 Ca 0.14 -0.83 -0.27 0.00 -1.25 0.00 0.00 55.69 53.48 1i6h s MET 841 Cb -0.14 -2.25 -0.04 0.00 2.84 0.00 0.00 34.83 35.24 1i6h s MET 841 CO 0.06 0.58 2.04 1.21 -0.65 0.00 0.00 175.02 178.26 1i6h s ASN 842 N -0.96 5.19 0.57 1.11 2.47 0.14 -1.85 114.94 121.60 1i6h s ASN 842 Ca 0.12 0.92 0.26 0.00 0.42 0.00 0.00 52.86 54.58 1i6h s ASN 842 Cb -0.10 -2.52 1.53 0.00 -1.45 0.00 0.00 41.25 38.71 1i6h s ASN 842 CO 0.02 -2.33 2.07 -0.61 -3.72 0.00 0.00 177.10 172.53 1i6h h GLN 843 N 15.82 0.00 0.32 0.43 5.75 0.43 -1.99 115.11 135.88 1i6h h GLN 843 Ca -0.29 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 1i6h h GLN 843 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1i6h h GLN 843 CO 1.13 0.00 -0.15 0.77 -2.65 0.00 0.00 178.83 177.93 1i6h h SER 844 N 0.00 -0.36 0.43 -0.69 0.02 -1.87 -2.25 113.55 108.83 1i6h h SER 844 Ca 0.12 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1i6h h SER 844 Cb 0.60 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1i6h h SER 844 CO -0.00 -0.00 0.00 0.77 -1.14 0.00 0.00 176.83 176.46 1i6h h SER 845 N -0.76 0.00 -0.04 3.07 4.64 -1.72 -1.19 113.55 117.55 1i6h h SER 845 Ca -0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1i6h h SER 845 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1i6h h SER 845 CO 0.07 0.00 -0.10 0.40 -0.87 0.00 0.00 176.83 176.33 1i6h h ILE 846 N 0.00 1.46 -0.93 0.95 2.04 -1.29 0.12 117.51 119.85 1i6h h ILE 846 Ca 0.00 -1.49 0.17 0.00 1.00 0.00 0.00 64.86 64.53 1i6h h ILE 846 Cb 0.21 2.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.57 1i6h h ILE 846 CO 0.00 0.41 0.59 0.44 0.00 0.00 0.00 178.15 179.59 1i6h h ASP 847 N -0.42 0.65 0.24 1.72 5.19 -0.63 0.65 116.42 123.82 1i6h h ASP 847 Ca -0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1i6h h ASP 847 Cb 0.71 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1i6h h ASP 847 CO 0.02 0.29 0.00 0.54 -3.12 0.00 0.00 179.24 176.97 1i6h n ARG 848 N -4.60 0.68 0.00 3.56 1.74 -0.87 -4.90 116.66 112.27 1i6h n ARG 848 Ca 0.19 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1i6h n ARG 848 Cb 0.54 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1i6h n ARG 848 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i6h n GLY 849 N 0.95 0.93 3.61 -0.13 0.00 0.23 -5.08 105.19 105.70 1i6h n GLY 849 Ca 0.18 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.69 1i6h n GLY 849 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i6h n LEU 850 N 0.00 1.99 -3.82 0.99 7.94 0.36 -2.66 117.00 121.80 1i6h n LEU 850 Ca 0.00 1.11 -0.24 0.00 -1.11 0.00 0.00 56.01 55.76 1i6h n LEU 850 Cb 0.00 -1.23 0.02 0.00 0.53 0.00 0.00 43.42 42.73 1i6h n LEU 850 CO 0.00 -0.85 -0.07 0.49 -1.11 0.00 0.00 177.39 175.85 1i6h n PHE 851 N 2.94 -1.92 -3.99 1.96 0.99 -1.26 -4.56 117.46 111.63 1i6h n PHE 851 Ca 0.19 0.83 -0.27 0.00 -0.00 0.00 0.00 57.45 58.19 1i6h n PHE 851 Cb 0.21 -4.12 -0.04 0.00 -1.00 0.00 0.00 39.48 34.53 1i6h n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1i6h s ARG 852 N -6.27 3.25 0.09 -1.08 0.52 -1.09 -3.94 118.95 110.43 1i6h s ARG 852 Ca 0.15 -0.65 -0.08 0.00 -0.52 0.00 0.00 55.73 54.64 1i6h s ARG 852 Cb -0.08 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 1i6h s ARG 852 CO 0.84 0.53 0.17 -1.54 0.02 0.00 0.00 175.30 175.32 1i6h s SER 853 N -2.98 0.17 0.26 0.23 1.04 -1.01 -0.93 113.70 110.49 1i6h s SER 853 Ca 0.33 -0.73 0.05 0.00 0.48 0.00 0.00 55.95 56.09 1i6h s SER 853 Cb -0.11 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 1i6h s SER 853 CO 0.26 -0.73 0.39 -0.76 0.98 0.00 0.00 173.24 173.38 1i6h s LEU 854 N -2.88 4.24 -0.26 2.42 1.43 -0.32 -0.24 118.68 123.06 1i6h s LEU 854 Ca 0.07 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1i6h s LEU 854 Cb 0.05 -2.84 0.11 0.00 0.03 0.00 0.00 46.19 43.55 1i6h s LEU 854 CO -0.10 -0.16 0.22 0.12 0.23 0.00 0.00 176.35 176.67 1i6h s PHE 855 N -2.03 -0.17 -0.09 0.29 5.36 0.33 -2.79 117.98 118.88 1i6h s PHE 855 Ca 0.37 -0.27 -0.09 0.00 -0.96 0.00 0.00 56.93 55.98 1i6h s PHE 855 Cb -0.09 -0.57 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 1i6h s PHE 855 CO 0.30 -0.79 0.21 -0.06 -1.46 0.00 0.00 175.22 173.42 1i6h s PHE 856 N 2.27 3.63 -0.05 10.12 0.40 -0.57 -2.01 117.98 131.76 1i6h s PHE 856 Ca 0.08 0.65 -0.01 0.00 -0.60 0.00 0.00 56.93 57.05 1i6h s PHE 856 Cb -0.15 -2.04 0.03 0.00 0.51 0.00 0.00 43.02 41.36 1i6h s PHE 856 CO -0.27 0.70 0.02 0.50 0.70 0.00 0.00 175.22 176.86 1i6h s ARG 857 N -0.98 0.38 -0.19 0.44 3.52 -0.52 -1.06 118.95 120.53 1i6h s ARG 857 Ca 0.17 0.17 -0.02 0.00 -0.13 0.00 0.00 55.73 55.92 1i6h s ARG 857 Cb -0.13 -0.76 -0.01 0.00 -1.56 0.00 0.00 34.95 32.49 1i6h s ARG 857 CO 0.06 -0.27 -0.09 -1.54 -0.81 0.00 0.00 175.30 172.65 1i6h s SER 858 N 1.83 4.05 0.28 -2.12 1.04 -1.26 0.87 113.70 118.39 1i6h s SER 858 Ca 0.02 -0.41 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 1i6h s SER 858 Cb -0.12 -1.67 -0.05 0.00 0.10 0.00 0.00 66.02 64.28 1i6h s SER 858 CO -0.04 0.03 0.52 -0.31 0.98 0.00 0.00 173.24 174.42 1i6h s TYR 859 N 1.18 3.48 0.07 5.02 1.51 0.95 -4.56 117.35 125.00 1i6h s TYR 859 Ca 0.02 0.55 -0.09 0.00 -1.01 0.00 0.00 57.07 56.54 1i6h s TYR 859 Cb -0.14 -2.03 0.00 0.00 -0.11 0.00 0.00 41.96 39.68 1i6h s TYR 859 CO -0.03 0.20 0.19 1.41 -1.11 0.00 0.00 175.55 176.22 1i6h s MET 860 N -3.60 0.77 0.23 -0.62 1.75 -1.26 -0.09 119.30 116.49 1i6h s MET 860 Ca 0.42 -0.81 -0.21 0.00 -1.25 0.00 0.00 55.69 53.85 1i6h s MET 860 Cb -0.11 0.32 0.04 0.00 2.84 0.00 0.00 34.83 37.92 1i6h s MET 860 CO 0.31 -0.24 0.65 0.34 -0.65 0.00 0.00 175.02 175.43 1i6h s ASP 861 N -2.50 -0.36 0.00 1.11 -1.08 -0.94 -5.02 116.67 107.88 1i6h s ASP 861 Ca 0.00 -0.40 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 1i6h s ASP 861 Cb 0.02 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.14 1i6h s ASP 861 CO -0.08 -1.18 0.00 0.00 0.52 0.00 0.00 175.17 174.43 1i6h n GLN 862 N -0.42 1.02 -4.24 4.34 6.02 -1.26 -2.48 117.38 120.37 1i6h n GLN 862 Ca -0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.61 1i6h n GLN 862 Cb 0.61 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.71 1i6h n GLN 862 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1i6h s GLU 863 N -1.54 2.12 0.00 -1.09 2.02 -1.25 -4.93 118.70 114.02 1i6h s GLU 863 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1i6h s GLU 863 Cb 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.34 1i6h s GLU 863 CO 0.00 -0.14 0.00 0.36 0.02 0.00 0.00 175.26 175.50 1i6h n LYS 864 N 4.47 0.00 0.00 1.61 2.85 -1.26 -4.73 118.16 121.10 1i6h n LYS 864 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1i6h n LYS 864 Cb 0.51 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 1i6h n LYS 864 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1i6h n LYS 865 N 0.00 0.00 -1.57 -1.58 5.02 -1.26 -4.95 118.16 113.83 1i6h n LYS 865 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 1i6h n LYS 865 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 1i6h n LYS 865 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i6h n TYR 866 N 0.00 0.99 -3.95 2.13 0.53 -1.26 -4.85 117.16 110.75 1i6h n TYR 866 Ca 0.00 -0.27 -0.23 0.00 -1.02 0.00 0.00 57.90 56.38 1i6h n TYR 866 Cb 0.00 -2.54 -0.17 0.00 -1.03 0.00 0.00 39.34 35.60 1i6h n TYR 866 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1i6h s GLY 867 N 8.35 0.53 -0.36 2.72 0.00 -1.26 -5.07 107.32 112.23 1i6h s GLY 867 Ca 0.80 -0.18 -0.28 0.00 0.00 0.00 0.00 44.72 45.07 1i6h s GLY 867 CO 0.19 0.81 2.06 -0.29 0.00 0.00 0.00 173.10 175.88 1i6h s MET 868 N 1.53 2.94 -1.31 2.90 1.75 -1.26 -2.67 119.30 123.18 1i6h s MET 868 Ca -0.01 1.51 0.00 0.00 -1.25 0.00 0.00 55.69 55.94 1i6h s MET 868 Cb -0.13 -4.35 0.00 0.00 2.84 0.00 0.00 34.83 33.19 1i6h s MET 868 CO -0.04 -2.32 0.00 -1.13 -0.65 0.00 0.00 175.02 170.88 1i6h n SER 869 N 12.13 -4.35 -3.85 1.11 3.41 -1.26 -4.93 113.62 115.88 1i6h n SER 869 Ca 0.27 0.18 -0.30 0.00 -0.26 0.00 0.00 58.87 58.76 1i6h n SER 869 Cb 0.48 -3.73 -0.14 0.00 -0.26 0.00 0.00 64.21 60.57 1i6h n SER 869 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1i6h s ILE 870 N -2.64 2.00 0.06 -1.33 1.01 -1.09 -5.10 121.20 114.10 1i6h s ILE 870 Ca 0.00 -2.84 0.09 0.00 0.00 0.00 0.00 60.65 57.90 1i6h s ILE 870 Cb 0.00 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 1i6h s ILE 870 CO 0.00 -0.82 -0.26 -0.89 0.00 0.00 0.00 174.94 172.97 1i6h s THR 871 N 0.16 2.11 0.68 2.92 2.01 -1.26 -4.45 115.64 117.81 1i6h s THR 871 Ca 0.16 -1.44 -0.11 0.00 0.31 0.00 0.00 61.69 60.61 1i6h s THR 871 Cb -0.24 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.44 1i6h s THR 871 CO -0.02 0.29 1.07 -1.61 -0.69 0.00 0.00 174.62 173.66 1i6h s GLU 872 N -1.40 3.08 -0.11 4.92 2.02 -1.26 -4.40 118.70 121.55 1i6h s GLU 872 Ca 0.12 0.66 -0.10 0.00 0.02 0.00 0.00 54.97 55.67 1i6h s GLU 872 Cb -0.10 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.13 1i6h s GLU 872 CO 0.03 -0.92 0.30 0.99 0.02 0.00 0.00 175.26 175.67 1i6h s THR 873 N -3.23 -0.01 -0.59 3.63 2.01 -0.40 -4.57 115.64 112.49 1i6h s THR 873 Ca 0.57 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 1i6h s THR 873 Cb -0.12 -0.42 0.04 0.00 0.01 0.00 0.00 72.50 72.01 1i6h s THR 873 CO 0.53 0.01 1.04 -0.36 -0.69 0.00 0.00 174.62 175.15 1i6h s PHE 874 N 0.33 2.69 -0.06 4.92 2.99 -1.26 0.41 117.98 127.99 1i6h s PHE 874 Ca -0.01 0.04 -0.29 0.00 0.00 0.00 0.00 56.93 56.66 1i6h s PHE 874 Cb -0.03 -4.26 0.07 0.00 0.00 0.00 0.00 43.02 38.80 1i6h s PHE 874 CO -0.01 -1.50 0.65 -1.83 -0.00 0.00 0.00 175.22 172.52 1i6h s GLU 875 N 4.37 1.01 -0.50 0.44 -1.05 -0.88 -4.29 118.70 117.80 1i6h s GLU 875 Ca 0.33 0.28 -0.28 0.00 -0.15 0.00 0.00 54.97 55.15 1i6h s GLU 875 Cb -0.11 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.07 1i6h s GLU 875 CO 0.20 -0.30 1.35 0.21 0.95 0.00 0.00 175.26 177.67 1i6h s LYS 876 N -1.08 3.47 1.28 -4.83 2.20 -1.26 -3.96 119.74 115.56 1i6h s LYS 876 Ca -0.10 0.60 -0.20 0.00 -0.36 0.00 0.00 55.97 55.91 1i6h s LYS 876 Cb -0.01 -4.05 0.32 0.00 -1.51 0.00 0.00 37.83 32.58 1i6h s LYS 876 CO 0.09 -1.71 1.03 -1.25 -0.36 0.00 0.00 175.35 173.14 1i6h s PRO 877 N 5.12 -1.86 -0.49 4.03 0.04 -1.26 -5.05 135.00 135.52 1i6h s PRO 877 Ca 0.54 0.11 0.06 0.00 0.04 0.00 0.00 61.00 61.74 1i6h s PRO 877 Cb -0.11 -1.51 0.22 0.00 0.04 0.00 0.00 34.50 33.15 1i6h s PRO 877 CO 0.29 -4.17 0.85 1.04 0.04 0.00 0.00 177.00 175.04 1i6h n GLN 878 N -5.12 0.64 0.00 4.56 6.02 -1.26 -5.11 117.38 117.10 1i6h n GLN 878 Ca 0.12 -1.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.33 1i6h n GLN 878 Cb 0.59 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.48 1i6h n GLN 878 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1i6h n ARG 879 N 2.17 0.00 -1.23 -1.09 5.12 -1.26 -4.90 116.66 115.47 1i6h n ARG 879 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1i6h n ARG 879 Cb 0.61 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.91 1i6h n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1i6h n THR 880 N 0.00 -1.47 0.00 0.55 -1.04 -1.26 -4.13 114.28 106.93 1i6h n THR 880 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1i6h n THR 880 Cb 0.00 -3.19 0.00 0.00 -1.82 0.00 0.00 70.33 65.32 1i6h n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1i6h n ASN 881 N -0.50 0.00 -0.10 8.00 3.02 -1.26 -4.15 115.26 120.27 1i6h n ASN 881 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 1i6h n ASN 881 Cb 0.09 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.15 1i6h n ASN 881 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1i6h h THR 882 N 0.00 0.91 0.00 3.41 2.02 -1.79 -3.48 112.91 113.97 1i6h h THR 882 Ca 0.00 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1i6h h THR 882 Cb 0.00 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1i6h h THR 882 CO 0.00 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.38 1i6h n LEU 883 N -4.46 0.09 -4.54 2.58 4.77 -1.26 -4.91 117.00 109.27 1i6h n LEU 883 Ca -0.29 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 1i6h n LEU 883 Cb 0.63 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 1i6h n LEU 883 CO 0.19 -0.04 1.08 0.54 -1.33 0.00 0.00 177.39 177.83 1i6h n ARG 884 N -2.00 0.14 0.00 3.23 1.74 -1.26 -4.84 116.66 113.67 1i6h n ARG 884 Ca 0.00 -1.50 0.00 0.00 -0.77 0.00 0.00 57.85 55.58 1i6h n ARG 884 Cb 0.00 -3.73 0.00 0.00 -1.02 0.00 0.00 32.46 27.71 1i6h n ARG 884 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1i6h n MET 885 N 7.98 3.33 -4.38 5.56 2.81 -1.26 -2.40 117.12 128.76 1i6h n MET 885 Ca 0.39 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 56.09 1i6h n MET 885 Cb 0.46 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.87 1i6h n MET 885 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1i6h s LYS 886 N 1.07 1.43 0.57 0.03 1.02 -1.26 -5.02 119.74 117.57 1i6h s LYS 886 Ca 0.00 -1.68 0.26 0.00 0.02 0.00 0.00 55.97 54.57 1i6h s LYS 886 Cb 0.00 -1.13 1.67 0.00 -0.52 0.00 0.00 37.83 37.84 1i6h s LYS 886 CO 0.00 0.12 2.21 0.45 -0.92 0.00 0.00 175.35 177.21 1i6h h HIS 887 N 2.43 0.00 -3.62 3.18 3.86 -2.02 -3.44 115.15 115.54 1i6h h HIS 887 Ca -0.39 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.29 1i6h h HIS 887 Cb 1.23 0.00 0.21 0.00 1.06 0.00 0.00 27.41 29.90 1i6h h HIS 887 CO 0.70 0.02 -0.34 0.41 0.86 0.00 0.00 177.93 179.58 1i6h n GLY 888 N -1.30 -1.51 3.70 2.45 0.00 -1.25 -4.96 105.19 102.31 1i6h n GLY 888 Ca -0.03 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 1i6h n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i6h s THR 889 N -2.38 5.19 -0.23 2.61 2.01 -1.25 -4.75 115.64 116.82 1i6h s THR 889 Ca 0.61 0.85 0.22 0.00 0.31 0.00 0.00 61.69 63.68 1i6h s THR 889 Cb -0.23 -3.78 -0.07 0.00 0.01 0.00 0.00 72.50 68.43 1i6h s THR 889 CO 0.64 0.29 0.95 -1.22 -0.69 0.00 0.00 174.62 174.58 1i6h n TYR 890 N 4.07 0.75 0.00 4.92 4.02 -1.26 -1.73 117.16 127.93 1i6h n TYR 890 Ca -0.07 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1i6h n TYR 890 Cb 0.51 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 1i6h n TYR 890 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1i6h n ASP 891 N -2.55 0.00 -0.43 7.72 8.00 -1.26 0.28 116.55 128.31 1i6h n ASP 891 Ca -0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 1i6h n ASP 891 Cb 0.54 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.65 1i6h n ASP 891 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1i6h n LYS 892 N -0.69 1.60 -3.29 -1.24 5.02 -1.26 -4.99 118.16 113.31 1i6h n LYS 892 Ca 0.00 -0.95 -0.30 0.00 -2.02 0.00 0.00 58.31 55.04 1i6h n LYS 892 Cb 0.00 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 1i6h n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1i6h s LEU 893 N -1.97 4.06 0.00 -0.35 1.43 0.14 -4.48 118.68 117.51 1i6h s LEU 893 Ca 0.15 0.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 1i6h s LEU 893 Cb 0.14 -3.64 0.12 0.00 0.03 0.00 0.00 46.19 42.83 1i6h s LEU 893 CO 0.39 -0.19 0.84 0.47 0.23 0.00 0.00 176.35 178.09 1i6h n ASP 894 N -0.75 1.52 0.16 2.29 9.92 -1.15 -4.96 116.55 123.57 1i6h n ASP 894 Ca -0.00 -2.19 0.13 0.00 -0.53 0.00 0.00 54.79 52.19 1i6h n ASP 894 Cb 0.53 -0.51 0.52 0.00 -0.64 0.00 0.00 41.12 41.03 1i6h n ASP 894 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1i6h h ASP 895 N -0.29 0.00 0.58 -2.24 5.19 -1.98 -2.06 116.42 115.61 1i6h h ASP 895 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1i6h h ASP 895 Cb 1.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1i6h h ASP 895 CO 0.34 0.00 -0.07 -0.90 -3.12 0.00 0.00 179.24 175.49 1i6h n ASP 896 N -2.40 0.18 0.00 6.45 5.75 -1.26 -4.18 116.55 121.09 1i6h n ASP 896 Ca 0.02 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1i6h n ASP 896 Cb 0.25 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1i6h n ASP 896 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i6h n GLY 897 N 1.33 0.67 3.30 6.12 0.00 -0.77 -4.09 105.19 111.76 1i6h n GLY 897 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1i6h n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6h s LEU 898 N 0.00 2.06 0.39 0.99 1.43 -1.26 -1.52 118.68 120.77 1i6h s LEU 898 Ca 0.00 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 1i6h s LEU 898 Cb 0.00 -1.35 -0.09 0.00 0.03 0.00 0.00 46.19 44.78 1i6h s LEU 898 CO 0.00 0.30 1.05 -0.63 0.23 0.00 0.00 176.35 177.30 1i6h s ILE 899 N -0.49 3.73 0.36 -0.59 1.01 -1.19 -2.93 121.20 121.10 1i6h s ILE 899 Ca 0.06 1.34 -0.15 0.00 0.00 0.00 0.00 60.65 61.91 1i6h s ILE 899 Cb -0.11 -3.70 -0.08 0.00 0.01 0.00 0.00 42.46 38.58 1i6h s ILE 899 CO 0.00 0.02 0.78 0.00 0.00 0.00 0.00 174.94 175.74 1i6h s ALA 900 N -1.64 3.29 0.15 9.38 0.00 -1.26 -4.87 121.76 126.80 1i6h s ALA 900 Ca 0.57 0.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1i6h s ALA 900 Cb -0.22 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1i6h s ALA 900 CO 0.28 0.20 1.57 -1.35 0.00 0.00 0.00 175.76 176.46 1i6h h PRO 901 N 1.90 -0.33 -0.23 0.00 0.11 -1.86 -2.93 132.00 128.66 1i6h h PRO 901 Ca -0.48 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.72 1i6h h PRO 901 Cb 1.18 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1i6h h PRO 901 CO 0.64 -0.22 0.18 0.78 -0.21 0.00 0.00 178.00 179.18 1i6h h GLY 902 N -0.34 0.00 -4.55 -0.55 0.00 -1.89 -3.24 103.07 92.49 1i6h h GLY 902 Ca 0.13 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.86 1i6h h GLY 902 CO -0.58 0.00 0.38 -0.62 0.00 0.00 0.00 176.54 175.72 1i6h n VAL 903 N -4.30 1.50 -3.30 4.60 0.31 -1.11 -4.76 118.33 111.27 1i6h n VAL 903 Ca 0.03 -0.38 -0.39 0.00 -0.01 0.00 0.00 64.34 63.59 1i6h n VAL 903 Cb 0.33 -1.24 -0.08 0.00 -0.91 0.00 0.00 33.84 31.94 1i6h n VAL 903 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1i6h s ARG 904 N -1.09 4.08 0.34 5.55 3.52 -1.26 -2.34 118.95 127.75 1i6h s ARG 904 Ca 0.63 0.24 0.09 0.00 -0.13 0.00 0.00 55.73 56.56 1i6h s ARG 904 Cb -0.68 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 29.03 1i6h s ARG 904 CO 0.56 -0.26 0.05 0.14 -0.81 0.00 0.00 175.30 174.97 1i6h s VAL 905 N 2.02 2.71 0.00 7.11 -7.23 -0.58 -5.00 120.40 119.44 1i6h s VAL 905 Ca 0.19 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1i6h s VAL 905 Cb -0.15 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.94 1i6h s VAL 905 CO 0.09 -0.19 0.00 -1.54 -0.31 0.00 0.00 175.10 173.15 1i6h n SER 906 N -1.00 0.00 0.00 4.85 3.41 -1.26 -1.70 113.62 117.91 1i6h n SER 906 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1i6h n SER 906 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1i6h n SER 906 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i6h n GLY 907 N 0.00 0.70 1.55 5.00 0.00 -1.24 -1.46 105.19 109.74 1i6h n GLY 907 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1i6h n GLY 907 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i6h n GLU 908 N 3.96 2.22 -1.68 1.61 1.02 -1.26 -4.38 120.64 122.13 1i6h n GLU 908 Ca 0.00 -3.32 -0.45 0.00 -0.02 0.00 0.00 57.16 53.37 1i6h n GLU 908 Cb 0.00 -1.98 -0.04 0.00 -0.02 0.00 0.00 31.44 29.40 1i6h n GLU 908 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1i6h n ASP 909 N -1.05 3.68 -4.72 1.62 9.92 -0.53 -3.95 116.55 121.52 1i6h n ASP 909 Ca 0.41 1.01 -0.42 0.00 -0.53 0.00 0.00 54.79 55.26 1i6h n ASP 909 Cb 1.06 -1.48 -0.03 0.00 -0.64 0.00 0.00 41.12 40.04 1i6h n ASP 909 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1i6h s VAL 910 N 2.63 2.26 -0.20 2.53 1.01 -0.70 -2.48 120.40 125.44 1i6h s VAL 910 Ca 0.84 0.17 0.12 0.00 0.00 0.00 0.00 61.98 63.11 1i6h s VAL 910 Cb -0.58 -3.11 -0.21 0.00 0.00 0.00 0.00 36.38 32.48 1i6h s VAL 910 CO 0.41 0.01 -0.02 -0.38 0.00 0.00 0.00 175.10 175.12 1i6h n ILE 911 N 4.02 1.32 -3.78 2.22 5.41 -0.86 -4.70 119.36 122.99 1i6h n ILE 911 Ca 0.15 -0.72 -0.16 0.00 1.00 0.00 0.00 62.75 63.03 1i6h n ILE 911 Cb 0.36 -0.76 -0.16 0.00 -0.71 0.00 0.00 39.64 38.37 1i6h n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1i6h s ILE 912 N -2.47 -0.04 -0.13 1.39 1.01 -0.90 -3.19 121.20 116.88 1i6h s ILE 912 Ca -0.17 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 1i6h s ILE 912 Cb 0.06 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.40 1i6h s ILE 912 CO 0.71 0.10 -0.04 -0.83 0.00 0.00 0.00 174.94 174.88 1i6h s GLY 913 N 1.15 1.73 -0.07 6.18 0.00 -0.57 -1.64 107.32 114.09 1i6h s GLY 913 Ca -0.08 -0.83 -0.14 0.00 0.00 0.00 0.00 44.72 43.67 1i6h s GLY 913 CO -0.03 -0.26 0.34 1.25 0.00 0.00 0.00 173.10 174.40 1i6h s LYS 914 N -0.04 0.56 0.12 2.90 2.20 -1.02 -2.07 119.74 122.39 1i6h s LYS 914 Ca 0.01 0.16 0.09 0.00 -0.36 0.00 0.00 55.97 55.87 1i6h s LYS 914 Cb -0.13 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1i6h s LYS 914 CO 0.03 -0.12 -0.16 0.99 -0.36 0.00 0.00 175.35 175.73 1i6h s THR 915 N -0.58 2.99 -0.51 3.43 2.01 0.17 -1.63 115.64 121.52 1i6h s THR 915 Ca -0.07 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.50 1i6h s THR 915 Cb -0.04 -2.39 0.15 0.00 0.01 0.00 0.00 72.50 70.23 1i6h s THR 915 CO 0.03 0.09 0.33 -0.89 -0.69 0.00 0.00 174.62 173.48 1i6h s THR 916 N -1.21 1.62 -0.62 -0.82 2.01 -0.70 -1.27 115.64 114.64 1i6h s THR 916 Ca 0.19 -3.06 -0.26 0.00 0.31 0.00 0.00 61.69 58.87 1i6h s THR 916 Cb -0.11 -2.10 -0.09 0.00 0.01 0.00 0.00 72.50 70.21 1i6h s THR 916 CO 0.11 -0.99 2.37 -2.16 -0.69 0.00 0.00 174.62 173.26 1i6h s PRO 917 N -0.21 1.94 0.06 4.92 0.04 -1.25 -3.81 135.00 136.69 1i6h s PRO 917 Ca 0.23 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 1i6h s PRO 917 Cb -0.13 -4.66 -0.06 0.00 0.04 0.00 0.00 34.50 29.68 1i6h s PRO 917 CO -0.08 -3.70 0.42 0.42 0.04 0.00 0.00 177.00 174.09 1i6h s ILE 918 N 12.99 5.05 -1.37 0.56 1.01 -1.26 -4.82 121.20 133.35 1i6h s ILE 918 Ca 0.93 0.62 -0.10 0.00 0.00 0.00 0.00 60.65 62.10 1i6h s ILE 918 Cb -0.15 -3.67 0.10 0.00 0.01 0.00 0.00 42.46 38.75 1i6h s ILE 918 CO 0.18 0.38 2.13 -1.54 0.00 0.00 0.00 174.94 176.09 1i6h n SER 919 N 1.19 5.30 -0.02 3.58 3.41 -1.26 -4.93 113.62 120.88 1i6h n SER 919 Ca -0.10 -2.99 -0.05 0.00 -0.26 0.00 0.00 58.87 55.48 1i6h n SER 919 Cb 0.52 -1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 62.93 1i6h n SER 919 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1i6h n SER 933 N 4.32 0.44 -3.39 4.04 3.41 -1.26 -5.32 113.62 115.85 1i6h n SER 933 Ca 0.49 0.07 -0.26 0.00 -0.26 0.00 0.00 58.87 58.91 1i6h n SER 933 Cb 0.35 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.03 1i6h n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1i6h s LYS 934 N -2.10 0.75 -0.11 4.33 1.02 -1.26 -3.82 119.74 118.56 1i6h s LYS 934 Ca -0.07 -1.69 -0.13 0.00 0.02 0.00 0.00 55.97 54.11 1i6h s LYS 934 Cb 0.02 -1.27 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 1i6h s LYS 934 CO 0.08 -1.31 0.30 1.03 -0.92 0.00 0.00 175.35 174.54 1i6h s ARG 935 N 0.57 4.00 0.29 1.68 0.52 -1.25 -4.32 118.95 120.45 1i6h s ARG 935 Ca 0.26 0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.33 1i6h s ARG 935 Cb -0.08 -3.32 -0.10 0.00 0.52 0.00 0.00 34.95 31.97 1i6h s ARG 935 CO -0.10 0.47 1.11 0.34 0.02 0.00 0.00 175.30 177.14 1i6h s ASP 936 N -0.26 7.21 -0.38 0.23 -1.08 -1.01 -1.72 116.67 119.65 1i6h s ASP 936 Ca 0.18 2.28 0.05 0.00 -0.52 0.00 0.00 52.55 54.55 1i6h s ASP 936 Cb -0.14 -2.63 0.17 0.00 -1.46 0.00 0.00 42.92 38.86 1i6h s ASP 936 CO 0.07 -0.19 0.51 0.00 0.52 0.00 0.00 175.17 176.08 1i6h s ALA 937 N -1.19 -1.50 -0.10 3.66 0.00 -0.65 -4.91 121.76 117.07 1i6h s ALA 937 Ca 0.46 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 1i6h s ALA 937 Cb -0.32 -2.40 0.04 0.00 0.00 0.00 0.00 23.12 20.44 1i6h s ALA 937 CO 0.41 -2.14 0.25 -1.54 0.00 0.00 0.00 175.76 172.74 1i6h s SER 938 N 1.77 -0.27 -0.09 0.00 1.04 -1.26 -2.43 113.70 112.47 1i6h s SER 938 Ca 0.16 0.53 -0.30 0.00 0.48 0.00 0.00 55.95 56.82 1i6h s SER 938 Cb -0.09 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1i6h s SER 938 CO -0.08 -0.15 1.26 -0.89 0.98 0.00 0.00 173.24 174.36 1i6h s THR 939 N 1.05 4.18 0.04 2.02 2.01 -0.65 -4.91 115.64 119.38 1i6h s THR 939 Ca -0.08 1.48 -0.04 0.00 0.31 0.00 0.00 61.69 63.37 1i6h s THR 939 Cb -0.09 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1i6h s THR 939 CO -0.07 -0.06 0.25 -2.16 -0.69 0.00 0.00 174.62 171.89 1i6h s PRO 940 N 2.79 3.51 0.42 4.92 0.04 -1.26 -2.03 135.00 143.38 1i6h s PRO 940 Ca 0.57 -0.23 -0.26 0.00 0.04 0.00 0.00 61.00 61.11 1i6h s PRO 940 Cb -0.25 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.16 1i6h s PRO 940 CO 0.20 0.62 1.37 -0.11 0.04 0.00 0.00 177.00 179.12 1i6h n LEU 941 N 0.71 4.56 -4.63 -3.56 7.94 -1.03 -4.84 117.00 116.15 1i6h n LEU 941 Ca -0.08 1.14 -0.47 0.00 -1.11 0.00 0.00 56.01 55.49 1i6h n LEU 941 Cb 0.52 -1.56 -0.03 0.00 0.53 0.00 0.00 43.42 42.88 1i6h n LEU 941 CO 0.46 -0.30 0.89 0.54 -1.11 0.00 0.00 177.39 177.86 1i6h n ARG 942 N 0.05 1.63 -0.33 1.96 1.74 -1.26 -4.46 116.66 115.99 1i6h n ARG 942 Ca 0.05 0.58 0.23 0.00 -0.77 0.00 0.00 57.85 57.94 1i6h n ARG 942 Cb 0.40 -2.17 0.44 0.00 -1.02 0.00 0.00 32.46 30.10 1i6h n ARG 942 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1i6h h SER 943 N 3.92 0.02 0.07 0.55 4.64 -1.85 -1.70 113.55 119.19 1i6h h SER 943 Ca -0.44 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1i6h h SER 943 Cb 1.31 0.33 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1i6h h SER 943 CO 0.74 -0.34 -0.26 0.35 -0.87 0.00 0.00 176.83 176.45 1i6h n THR 944 N -5.32 0.00 -2.88 2.95 -2.24 -1.26 -4.66 114.28 100.88 1i6h n THR 944 Ca 0.30 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.65 1i6h n THR 944 Cb 1.00 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 70.12 1i6h n THR 944 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1i6h s GLU 945 N -2.34 2.72 -0.30 -0.78 2.02 -0.64 -5.01 118.70 114.37 1i6h s GLU 945 Ca 0.25 -1.08 -0.22 0.00 0.02 0.00 0.00 54.97 53.94 1i6h s GLU 945 Cb 0.19 -2.66 0.21 0.00 0.10 0.00 0.00 34.13 31.97 1i6h s GLU 945 CO 0.48 -0.44 1.44 0.54 0.02 0.00 0.00 175.26 177.30 1i6h s ASN 946 N -4.38 -0.00 0.00 -0.19 4.22 -1.26 -3.67 114.94 109.66 1i6h s ASN 946 Ca 0.56 0.00 0.00 0.00 -2.14 0.00 0.00 52.86 51.28 1i6h s ASN 946 Cb -0.10 0.30 0.00 0.00 1.28 0.00 0.00 41.25 42.73 1i6h s ASN 946 CO 0.35 -0.00 0.00 0.61 -2.04 0.00 0.00 177.10 176.02 1i6h n GLY 947 N 1.95 2.15 2.82 0.45 0.00 -0.69 -4.82 105.19 107.05 1i6h n GLY 947 Ca -0.12 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1i6h n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i6h s ILE 948 N 1.11 -0.10 0.07 -0.61 1.01 -0.23 -1.52 121.20 120.93 1i6h s ILE 948 Ca 0.00 0.26 -0.37 0.00 0.00 0.00 0.00 60.65 60.54 1i6h s ILE 948 Cb 0.00 -0.18 -0.16 0.00 0.01 0.00 0.00 42.46 42.12 1i6h s ILE 948 CO 0.00 0.11 1.38 0.52 0.00 0.00 0.00 174.94 176.95 1i6h n VAL 949 N 4.54 0.02 -0.09 2.92 0.31 -0.99 -0.01 118.33 125.03 1i6h n VAL 949 Ca -0.20 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 1i6h n VAL 949 Cb 0.51 -0.89 -0.05 0.00 -0.91 0.00 0.00 33.84 32.50 1i6h n VAL 949 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1i6h n ASP 950 N 2.76 1.89 -3.81 4.52 2.03 0.77 -4.30 116.55 120.41 1i6h n ASP 950 Ca 0.19 0.44 -0.10 0.00 0.52 0.00 0.00 54.79 55.84 1i6h n ASP 950 Cb 0.19 -0.83 -0.07 0.00 -0.72 0.00 0.00 41.12 39.69 1i6h n ASP 950 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1i6h s GLN 951 N -2.55 0.85 -0.01 -0.67 -0.21 -1.19 -4.78 119.66 111.09 1i6h s GLN 951 Ca -0.26 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.31 1i6h s GLN 951 Cb 0.06 0.35 0.01 0.00 1.00 0.00 0.00 33.01 34.43 1i6h s GLN 951 CO 0.40 -0.28 -0.01 0.08 -2.12 0.00 0.00 175.29 173.36 1i6h s VAL 952 N -3.47 0.13 0.01 1.09 1.01 -1.26 -0.97 120.40 116.95 1i6h s VAL 952 Ca 0.02 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.07 1i6h s VAL 952 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1i6h s VAL 952 CO -0.09 0.08 -0.18 -0.22 0.00 0.00 0.00 175.10 174.70 1i6h s LEU 953 N 0.46 2.10 -0.24 3.92 0.20 -0.59 -4.98 118.68 119.56 1i6h s LEU 953 Ca -0.04 -0.40 0.01 0.00 0.69 0.00 0.00 54.13 54.39 1i6h s LEU 953 Cb -0.07 -0.86 0.06 0.00 -0.43 0.00 0.00 46.19 44.89 1i6h s LEU 953 CO -0.01 0.16 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.44 1i6h s VAL 954 N -0.60 1.76 0.04 1.68 1.01 -1.26 -1.85 120.40 121.18 1i6h s VAL 954 Ca 0.06 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1i6h s VAL 954 Cb -0.07 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1i6h s VAL 954 CO 0.00 -0.03 0.02 0.41 0.00 0.00 0.00 175.10 175.51 1i6h n THR 955 N 4.60 0.00 -4.49 3.92 -1.04 0.59 -4.93 114.28 112.93 1i6h n THR 955 Ca -0.13 -0.26 -0.23 0.00 -2.04 0.00 0.00 64.05 61.39 1i6h n THR 955 Cb 0.44 0.11 -0.16 0.00 -1.82 0.00 0.00 70.33 68.90 1i6h n THR 955 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1i6h s THR 956 N -1.93 0.98 -0.35 12.58 2.01 -1.21 0.15 115.64 127.85 1i6h s THR 956 Ca 0.03 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 1i6h s THR 956 Cb 0.00 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 1i6h s THR 956 CO 0.02 0.32 0.37 0.21 -0.69 0.00 0.00 174.62 174.85 1i6h s ASN 957 N 0.62 6.18 0.00 3.53 2.47 -0.72 -4.80 114.94 122.21 1i6h s ASN 957 Ca -0.12 -0.30 0.00 0.00 0.42 0.00 0.00 52.86 52.86 1i6h s ASN 957 Cb -0.14 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1i6h s ASN 957 CO 0.03 -0.37 0.00 0.00 -3.72 0.00 0.00 177.10 173.04 1i6h n GLN 958 N 5.40 0.00 0.00 0.43 6.02 -1.26 -2.43 117.38 125.54 1i6h n GLN 958 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1i6h n GLN 958 Cb 0.49 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.75 1i6h n GLN 958 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1i6h n ASP 959 N 0.00 0.00 -3.79 1.08 8.00 -1.26 -3.50 116.55 117.08 1i6h n ASP 959 Ca 0.00 -1.13 -0.29 0.00 0.71 0.00 0.00 54.79 54.08 1i6h n ASP 959 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 1i6h n ASP 959 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i6h n GLY 960 N 2.35 -0.39 3.81 0.44 0.00 -1.02 -4.88 105.19 105.50 1i6h n GLY 960 Ca 0.00 0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1i6h n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6h s LEU 961 N -6.19 4.38 -0.28 0.99 1.43 -1.10 -4.86 118.68 113.05 1i6h s LEU 961 Ca 0.57 1.39 -0.23 0.00 -1.03 0.00 0.00 54.13 54.83 1i6h s LEU 961 Cb -0.33 -3.46 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1i6h s LEU 961 CO 0.70 0.08 0.75 -0.54 0.23 0.00 0.00 176.35 177.57 1i6h s LYS 962 N -1.81 4.05 -0.09 1.70 1.02 -1.26 -1.75 119.74 121.59 1i6h s LYS 962 Ca 0.40 0.65 0.00 0.00 0.02 0.00 0.00 55.97 57.05 1i6h s LYS 962 Cb -0.17 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 1i6h s LYS 962 CO 0.21 -0.57 -0.09 0.12 -0.92 0.00 0.00 175.35 174.10 1i6h s PHE 963 N 2.80 2.88 -0.03 3.18 5.36 0.39 -3.79 117.98 128.76 1i6h s PHE 963 Ca 0.31 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 1i6h s PHE 963 Cb -0.15 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.79 1i6h s PHE 963 CO 0.10 0.11 -0.00 0.08 -1.46 0.00 0.00 175.22 174.05 1i6h s VAL 964 N -0.32 0.22 -0.18 3.12 1.01 -1.03 -0.30 120.40 122.91 1i6h s VAL 964 Ca 0.04 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1i6h s VAL 964 Cb -0.13 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 35.98 1i6h s VAL 964 CO 0.02 0.15 -0.14 -0.54 0.00 0.00 0.00 175.10 174.60 1i6h s LYS 965 N 1.02 2.34 -0.35 2.72 1.02 -0.77 -2.22 119.74 123.50 1i6h s LYS 965 Ca -0.10 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.01 1i6h s LYS 965 Cb -0.14 -2.39 0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1i6h s LYS 965 CO -0.02 -0.33 0.16 0.08 -0.92 0.00 0.00 175.35 174.32 1i6h s VAL 966 N 1.38 4.25 -0.10 3.17 1.01 0.88 -1.54 120.40 129.45 1i6h s VAL 966 Ca 0.01 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1i6h s VAL 966 Cb -0.15 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1i6h s VAL 966 CO -0.10 -0.17 0.42 -0.60 0.00 0.00 0.00 175.10 174.66 1i6h s ARG 967 N 1.50 4.21 -0.07 2.72 3.52 -0.14 -0.04 118.95 130.66 1i6h s ARG 967 Ca 0.01 0.37 0.03 0.00 -0.13 0.00 0.00 55.73 56.00 1i6h s ARG 967 Cb -0.19 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 1i6h s ARG 967 CO 0.05 0.32 -0.15 0.08 -0.81 0.00 0.00 175.30 174.79 1i6h s VAL 968 N 0.14 3.00 -0.06 7.11 1.01 0.25 -0.16 120.40 131.69 1i6h s VAL 968 Ca 0.23 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1i6h s VAL 968 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1i6h s VAL 968 CO 0.10 0.58 -0.15 -0.60 0.00 0.00 0.00 175.10 175.02 1i6h s ARG 969 N -0.47 2.58 0.02 2.72 3.52 0.98 -1.44 118.95 126.87 1i6h s ARG 969 Ca 0.06 -0.71 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1i6h s ARG 969 Cb -0.12 -2.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.87 1i6h s ARG 969 CO 0.02 0.57 -0.04 0.99 -0.81 0.00 0.00 175.30 176.02 1i6h s THR 970 N -0.58 0.23 -0.27 4.11 2.01 -0.85 -1.07 115.64 119.22 1i6h s THR 970 Ca 0.08 -0.81 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 1i6h s THR 970 Cb -0.11 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.07 1i6h s THR 970 CO 0.01 -0.37 0.02 -0.89 -0.69 0.00 0.00 174.62 172.69 1i6h s THR 971 N -1.19 3.56 -0.27 -0.82 2.01 -1.26 0.12 115.64 117.79 1i6h s THR 971 Ca -0.11 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 1i6h s THR 971 Cb -0.08 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1i6h s THR 971 CO -0.00 0.19 0.19 -0.54 -0.69 0.00 0.00 174.62 173.77 1i6h s LYS 972 N 1.45 3.99 -0.17 4.92 1.02 0.67 -4.96 119.74 126.67 1i6h s LYS 972 Ca 0.03 -0.28 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 1i6h s LYS 972 Cb -0.16 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 1i6h s LYS 972 CO -0.01 -0.11 0.16 0.42 -0.92 0.00 0.00 175.35 174.89 1i6h s ILE 973 N 1.57 5.42 -0.35 2.17 1.01 -1.26 -2.39 121.20 127.36 1i6h s ILE 973 Ca 0.08 0.25 -0.42 0.00 0.00 0.00 0.00 60.65 60.55 1i6h s ILE 973 Cb -0.15 -3.47 -0.17 0.00 0.01 0.00 0.00 42.46 38.68 1i6h s ILE 973 CO 0.09 0.50 1.71 -0.81 0.00 0.00 0.00 174.94 176.43 1i6h n PRO 974 N 2.99 0.80 -2.34 2.79 -0.04 -1.25 -4.94 135.00 133.01 1i6h n PRO 974 Ca -0.17 0.29 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1i6h n PRO 974 Cb 0.53 -1.92 -0.01 0.00 -0.04 0.00 0.00 33.50 32.06 1i6h n PRO 974 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1i6h n GLN 975 N 5.02 1.60 0.14 0.54 7.27 -1.26 -5.06 117.38 125.63 1i6h n GLN 975 Ca 0.28 -0.73 -0.14 0.00 0.07 0.00 0.00 57.00 56.48 1i6h n GLN 975 Cb 0.07 0.16 -0.08 0.00 2.41 0.00 0.00 30.24 32.80 1i6h n GLN 975 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1i6h h ILE 976 N 0.87 0.81 -0.14 1.69 2.04 -1.92 -3.23 117.51 117.63 1i6h h ILE 976 Ca -0.08 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1i6h h ILE 976 Cb 0.26 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1i6h h ILE 976 CO 0.13 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.93 1i6h n GLY 977 N -1.01 -0.13 3.70 5.37 0.00 -1.26 -2.44 105.19 109.42 1i6h n GLY 977 Ca -0.09 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1i6h n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i6h s ASP 978 N -1.39 6.67 0.33 1.61 1.01 -1.22 -4.17 116.67 119.51 1i6h s ASP 978 Ca 0.25 2.43 -0.26 0.00 0.71 0.00 0.00 52.55 55.69 1i6h s ASP 978 Cb 0.13 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.39 1i6h s ASP 978 CO 0.20 -0.81 0.95 -0.75 0.21 0.00 0.00 175.17 174.97 1i6h s LYS 979 N 2.05 4.56 0.06 8.23 2.20 -1.26 -2.47 119.74 133.12 1i6h s LYS 979 Ca 0.70 1.33 -0.06 0.00 -0.36 0.00 0.00 55.97 57.59 1i6h s LYS 979 Cb -0.39 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 1i6h s LYS 979 CO 0.31 0.25 0.10 -0.06 -0.36 0.00 0.00 175.35 175.59 1i6h s PHE 980 N -1.63 0.28 0.01 4.03 0.40 -0.17 -2.46 117.98 118.43 1i6h s PHE 980 Ca 0.51 -0.72 -0.19 0.00 -0.60 0.00 0.00 56.93 55.93 1i6h s PHE 980 Cb -0.19 -0.18 0.04 0.00 0.51 0.00 0.00 43.02 43.20 1i6h s PHE 980 CO 0.24 -0.45 0.43 0.00 0.70 0.00 0.00 175.22 176.13 1i6h s ALA 981 N -3.60 -1.07 1.00 5.36 0.00 -0.90 -0.41 121.76 122.14 1i6h s ALA 981 Ca 0.03 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.49 1i6h s ALA 981 Cb 0.05 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1i6h s ALA 981 CO -0.09 -0.37 0.00 -1.13 0.00 0.00 0.00 175.76 174.17 1i6h n SER 982 N 0.85 0.00 -0.76 0.00 3.41 -0.89 -0.91 113.62 115.32 1i6h n SER 982 Ca -0.20 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.48 1i6h n SER 982 Cb 0.58 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.71 1i6h n SER 982 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i6h n ARG 983 N 0.00 2.84 -2.27 4.33 1.74 -1.26 -4.53 116.66 117.51 1i6h n ARG 983 Ca 0.00 -2.15 -0.27 0.00 -0.77 0.00 0.00 57.85 54.65 1i6h n ARG 983 Cb 0.00 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 30.13 1i6h n ARG 983 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1i6h n HIS 984 N 0.71 3.20 -2.18 -1.55 8.25 -1.26 -4.80 115.22 117.58 1i6h n HIS 984 Ca 0.14 -2.81 -0.19 0.00 -0.26 0.00 0.00 57.72 54.60 1i6h n HIS 984 Cb 0.46 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1i6h n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i6h n GLY 985 N -0.56 0.12 2.98 -1.41 0.00 -1.24 -4.89 105.19 100.19 1i6h n GLY 985 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 1i6h n GLY 985 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i6h s GLN 986 N -4.66 1.64 0.32 1.61 2.00 -1.26 -4.88 119.66 114.43 1i6h s GLN 986 Ca 0.00 -2.13 -0.00 0.00 -2.00 0.00 0.00 55.36 51.23 1i6h s GLN 986 Cb 0.00 -3.20 -0.04 0.00 0.80 0.00 0.00 33.01 30.57 1i6h s GLN 986 CO 0.00 -1.01 0.52 -1.59 -0.50 0.00 0.00 175.29 172.72 1i6h s LYS 987 N 0.48 3.51 -0.18 1.67 0.00 -1.26 -2.08 119.74 121.87 1i6h s LYS 987 Ca 0.13 -0.30 -0.29 0.00 0.00 0.00 0.00 55.97 55.51 1i6h s LYS 987 Cb -0.22 -2.69 0.13 0.00 0.00 0.00 0.00 37.83 35.05 1i6h s LYS 987 CO -0.05 0.20 1.01 0.20 0.00 0.00 0.00 175.35 176.70 1i6h s GLY 988 N -3.80 -0.24 0.26 0.59 0.00 0.45 -4.87 107.32 99.71 1i6h s GLY 988 Ca 0.40 2.15 0.04 0.00 0.00 0.00 0.00 44.72 47.31 1i6h s GLY 988 CO 0.34 1.16 0.40 -0.51 0.00 0.00 0.00 173.10 174.49 1i6h s THR 989 N -0.90 5.19 0.60 0.90 -4.23 -1.16 -1.00 115.64 115.04 1i6h s THR 989 Ca -0.01 -0.88 -0.17 0.00 -1.18 0.00 0.00 61.69 59.45 1i6h s THR 989 Cb -0.01 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 1i6h s THR 989 CO 0.00 -0.37 1.10 -0.63 -0.54 0.00 0.00 174.62 174.19 1i6h s ILE 990 N -2.05 3.34 0.00 2.99 1.01 -1.02 0.30 121.20 125.77 1i6h s ILE 990 Ca 0.36 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1i6h s ILE 990 Cb -0.09 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1i6h s ILE 990 CO 0.30 -0.31 0.02 0.61 0.00 0.00 0.00 174.94 175.57 1i6h n GLY 991 N -0.36 0.88 0.00 6.18 0.00 -0.13 -4.23 105.19 107.52 1i6h n GLY 991 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1i6h n GLY 991 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1i6h n ILE 992 N -0.65 0.00 -4.96 -0.61 3.06 -1.26 -5.01 119.36 109.93 1i6h n ILE 992 Ca 0.00 0.00 -0.31 0.00 -2.50 0.00 0.00 62.75 59.94 1i6h n ILE 992 Cb 0.01 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.04 1i6h n ILE 992 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1i6h s THR 993 N -2.00 2.40 0.04 9.51 -4.23 -1.26 -2.62 115.64 117.48 1i6h s THR 993 Ca 0.00 -1.16 0.09 0.00 -1.18 0.00 0.00 61.69 59.44 1i6h s THR 993 Cb 0.00 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 1i6h s THR 993 CO 0.00 0.45 -0.26 -0.31 -0.54 0.00 0.00 174.62 173.96 1i6h s TYR 994 N -0.77 2.33 0.57 3.99 4.12 -0.77 -4.73 117.35 122.08 1i6h s TYR 994 Ca 0.12 -0.41 -0.12 0.00 0.02 0.00 0.00 57.07 56.68 1i6h s TYR 994 Cb -0.10 -1.41 -0.05 0.00 -1.52 0.00 0.00 41.96 38.88 1i6h s TYR 994 CO 0.02 0.10 0.98 1.03 0.02 0.00 0.00 175.55 177.70 1i6h s ARG 995 N -1.15 3.69 0.20 -0.62 0.52 -1.26 0.11 118.95 120.43 1i6h s ARG 995 Ca 0.12 0.73 -0.08 0.00 -0.52 0.00 0.00 55.73 55.97 1i6h s ARG 995 Cb -0.10 -2.14 0.29 0.00 0.52 0.00 0.00 34.95 33.52 1i6h s ARG 995 CO 0.02 -0.43 1.16 -2.13 0.02 0.00 0.00 175.30 173.94 1i6h n ARG 996 N -2.32 -0.10 0.30 3.54 0.63 -1.26 -2.21 116.66 115.23 1i6h n ARG 996 Ca 0.05 1.16 -0.15 0.00 -0.92 0.00 0.00 57.85 57.99 1i6h n ARG 996 Cb 0.54 -1.73 -0.08 0.00 0.45 0.00 0.00 32.46 31.64 1i6h n ARG 996 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1i6h h GLU 997 N 0.00 -0.87 0.00 -0.14 3.07 -1.96 -2.44 114.58 112.24 1i6h h GLU 997 Ca 0.33 0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 1i6h h GLU 997 Cb 0.51 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1i6h h GLU 997 CO -0.76 -0.58 0.32 -0.44 -1.40 0.00 0.00 179.01 176.15 1i6h h ASP 998 N -0.90 0.00 -4.08 1.42 3.32 -1.73 -3.39 116.42 111.06 1i6h h ASP 998 Ca -0.07 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.51 1i6h h ASP 998 Cb 0.75 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.33 1i6h h ASP 998 CO 0.02 0.00 0.39 -0.32 -1.72 0.00 0.00 179.24 177.61 1i6h s MET 999 N -3.68 3.74 0.56 3.56 1.75 -0.92 -4.20 119.30 120.12 1i6h s MET 999 Ca -0.02 1.39 -0.18 0.00 -1.25 0.00 0.00 55.69 55.63 1i6h s MET 999 Cb 0.06 -2.08 -0.05 0.00 2.84 0.00 0.00 34.83 35.60 1i6h s MET 999 CO 0.19 -0.49 1.09 -1.25 -0.65 0.00 0.00 175.02 173.91 1i6h s PRO 1000N -3.25 3.35 0.13 4.11 0.04 -1.26 -3.05 135.00 135.07 1i6h s PRO 1000Ca 0.68 1.43 0.05 0.00 0.04 0.00 0.00 61.00 63.20 1i6h s PRO 1000Cb -0.17 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1i6h s PRO 1000CO 0.21 -0.82 -0.11 -0.59 0.04 0.00 0.00 177.00 175.73 1i6h s PHE 1001N -2.06 1.23 0.27 0.56 -0.12 0.58 -4.31 117.98 114.14 1i6h s PHE 1001Ca 0.69 -0.69 -0.13 0.00 -0.05 0.00 0.00 56.93 56.74 1i6h s PHE 1001Cb -0.20 -0.64 -0.08 0.00 -0.63 0.00 0.00 43.02 41.47 1i6h s PHE 1001CO 0.30 0.07 0.66 -0.08 -0.05 0.00 0.00 175.22 176.12 1i6h s THR 1002N -2.87 4.77 0.43 -4.49 -1.32 0.14 -0.06 115.64 112.23 1i6h s THR 1002Ca 0.12 0.80 0.16 0.00 -1.21 0.00 0.00 61.69 61.57 1i6h s THR 1002Cb -0.00 -3.64 0.36 0.00 -1.51 0.00 0.00 72.50 67.71 1i6h s THR 1002CO 0.01 -0.09 1.91 0.00 -2.21 0.00 0.00 174.62 174.24 1i6h h ALA 1003N 2.53 2.14 0.00 11.08 0.00 -1.87 1.43 119.26 134.57 1i6h h ALA 1003Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1i6h h ALA 1003Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1i6h h ALA 1003CO 0.67 -0.36 0.00 0.93 0.00 0.00 0.00 179.25 180.48 1i6h h GLU 1004N 0.40 0.00 0.00 0.00 5.08 -1.94 -3.45 114.58 114.67 1i6h h GLU 1004Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1i6h h GLU 1004Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1i6h h GLU 1004CO -0.13 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.29 1i6h n GLY 1005N -0.20 0.71 3.79 -3.84 0.00 0.49 -5.07 105.19 101.07 1i6h n GLY 1005Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1i6h n GLY 1005CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i6h s ILE 1006N -2.08 3.99 0.07 -0.61 1.01 -1.24 -4.74 121.20 117.60 1i6h s ILE 1006Ca 0.00 1.52 0.02 0.00 0.00 0.00 0.00 60.65 62.19 1i6h s ILE 1006Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1i6h s ILE 1006CO 0.00 0.00 -0.08 0.54 0.00 0.00 0.00 174.94 175.40 1i6h s VAL 1007N -1.72 0.65 0.42 2.92 0.11 -1.26 0.24 120.40 121.76 1i6h s VAL 1007Ca 0.56 -1.42 -0.22 0.00 -2.93 0.00 0.00 61.98 57.97 1i6h s VAL 1007Cb -0.19 -1.05 -0.10 0.00 -1.53 0.00 0.00 36.38 33.51 1i6h s VAL 1007CO 0.24 -0.56 0.97 -2.16 -3.33 0.00 0.00 175.10 170.26 1i6h s PRO 1008N -2.45 4.20 0.16 1.54 0.04 -1.26 -4.92 135.00 132.31 1i6h s PRO 1008Ca -0.01 1.21 0.18 0.00 0.04 0.00 0.00 61.00 62.42 1i6h s PRO 1008Cb -0.04 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1i6h s PRO 1008CO -0.01 -0.06 1.04 -0.44 0.04 0.00 0.00 177.00 177.56 1i6h h ASP 1009N 2.04 0.00 -4.61 6.66 3.32 -1.05 -3.40 116.42 119.39 1i6h h ASP 1009Ca -0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.43 1i6h h ASP 1009Cb 1.19 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 1i6h h ASP 1009CO 0.61 0.41 -0.31 -0.22 -1.72 0.00 0.00 179.24 178.02 1i6h s LEU 1010N -5.86 0.86 -0.07 1.55 2.96 -1.14 0.27 118.68 117.26 1i6h s LEU 1010Ca -0.00 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.17 1i6h s LEU 1010Cb 0.08 1.18 0.02 0.00 0.50 0.00 0.00 46.19 47.97 1i6h s LEU 1010CO 0.79 -0.33 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.78 1i6h s ILE 1011N -0.83 0.83 0.12 6.68 1.01 0.16 -1.01 121.20 128.17 1i6h s ILE 1011Ca -0.09 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.38 1i6h s ILE 1011Cb -0.04 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1i6h s ILE 1011CO 0.03 0.31 -0.09 0.27 0.00 0.00 0.00 174.94 175.45 1i6h s ILE 1012N 1.17 3.35 -0.01 2.92 -4.36 0.01 -1.47 121.20 122.81 1i6h s ILE 1012Ca -0.06 -1.36 -0.30 0.00 -0.26 0.00 0.00 60.65 58.67 1i6h s ILE 1012Cb -0.14 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 1i6h s ILE 1012CO -0.02 0.05 1.01 0.21 0.24 0.00 0.00 174.94 176.44 1i6h s ASN 1013N -2.38 7.32 0.48 4.36 3.84 -1.25 -0.57 114.94 126.75 1i6h s ASN 1013Ca 0.22 1.68 0.27 0.00 0.21 0.00 0.00 52.86 55.25 1i6h s ASN 1013Cb -0.11 -2.57 1.34 0.00 -0.55 0.00 0.00 41.25 39.37 1i6h s ASN 1013CO 0.14 -0.32 1.83 1.55 -2.79 0.00 0.00 177.10 177.52 1i6h h PRO 1014N 6.86 0.16 0.00 0.43 0.13 -1.84 -1.84 132.00 135.90 1i6h h PRO 1014Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1i6h h PRO 1014Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1i6h h PRO 1014CO 0.78 0.11 0.04 0.72 -0.23 0.00 0.00 178.00 179.41 1i6h n HIS 1015N -4.38 0.67 -1.32 1.56 8.25 -1.26 -2.62 115.22 116.12 1i6h n HIS 1015Ca 0.22 0.35 -0.29 0.00 -0.26 0.00 0.00 57.72 57.74 1i6h n HIS 1015Cb 0.97 -1.03 0.04 0.00 1.12 0.00 0.00 29.99 31.09 1i6h n HIS 1015CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i6h n ALA 1016N -1.74 6.03 0.06 -1.41 0.00 -0.69 -4.45 120.51 118.30 1i6h n ALA 1016Ca -0.01 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.46 1i6h n ALA 1016Cb 0.07 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1i6h n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1i6h n ILE 1017N -0.19 0.04 -0.28 0.00 5.41 -1.08 -4.77 119.36 118.50 1i6h n ILE 1017Ca 0.49 0.01 0.05 0.00 1.00 0.00 0.00 62.75 64.31 1i6h n ILE 1017Cb 0.55 -0.58 0.14 0.00 -0.71 0.00 0.00 39.64 39.05 1i6h n ILE 1017CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1i6h h PRO 1018N 0.00 0.04 0.01 0.38 0.11 -1.78 -2.64 132.00 128.12 1i6h h PRO 1018Ca 0.00 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.87 1i6h h PRO 1018Cb 0.04 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 31.16 1i6h h PRO 1018CO 0.00 0.03 -0.91 0.66 -0.21 0.00 0.00 178.00 177.57 1i6h h SER 1019N 0.04 0.79 0.18 -2.05 4.64 -1.91 -3.24 113.55 112.00 1i6h h SER 1019Ca 0.42 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1i6h h SER 1019Cb 0.72 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1i6h h SER 1019CO -0.76 1.44 0.00 0.54 -0.87 0.00 0.00 176.83 177.18 1i6h n ARG 1020N -3.97 0.51 -3.77 4.77 5.12 -1.08 -4.86 116.66 113.37 1i6h n ARG 1020Ca -0.11 0.04 -0.30 0.00 -1.93 0.00 0.00 57.85 55.55 1i6h n ARG 1020Cb 0.82 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.57 1i6h n ARG 1020CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1i6h n MET 1021N -1.13 -1.14 -2.65 5.56 2.81 -1.02 -4.61 117.12 114.95 1i6h n MET 1021Ca 0.13 0.10 -0.42 0.00 -1.81 0.00 0.00 57.70 55.70 1i6h n MET 1021Cb 0.12 -4.06 0.01 0.00 -0.71 0.00 0.00 33.22 28.58 1i6h n MET 1021CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1i6h n THR 1022N -3.31 5.07 -0.23 2.03 5.66 -1.26 -3.13 114.28 119.11 1i6h n THR 1022Ca 0.08 -5.28 -0.05 0.00 -3.05 0.00 0.00 64.05 55.75 1i6h n THR 1022Cb 0.40 -2.12 0.05 0.00 -1.55 0.00 0.00 70.33 67.11 1i6h n THR 1022CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1i6h h VAL 1023N 3.35 1.15 -0.93 1.08 2.07 -1.85 -2.85 116.25 118.27 1i6h h VAL 1023Ca 0.34 -0.30 0.28 0.00 0.82 0.00 0.00 66.70 67.84 1i6h h VAL 1023Cb 0.56 0.21 -0.16 0.00 -1.52 0.00 0.00 31.29 30.39 1i6h h VAL 1023CO 1.44 0.16 0.26 0.00 0.02 0.00 0.00 177.57 179.45 1i6h h ALA 1024N 1.24 1.44 -0.35 1.67 0.00 -1.73 0.49 119.26 122.02 1i6h h ALA 1024Ca 0.24 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.45 1i6h h ALA 1024Cb -0.08 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1i6h h ALA 1024CO -0.06 -0.56 -0.53 1.25 0.00 0.00 0.00 179.25 179.35 1i6h h HIS 1025N 0.15 -1.61 -0.03 0.00 6.17 -1.82 1.03 115.15 119.05 1i6h h HIS 1025Ca 0.62 0.08 0.02 0.00 0.71 0.00 0.00 60.37 61.79 1i6h h HIS 1025Cb 1.34 0.75 -0.05 0.00 2.52 0.00 0.00 27.41 31.97 1i6h h HIS 1025CO -0.26 -0.47 -0.43 -0.07 0.71 0.00 0.00 177.93 177.41 1i6h h LEU 1026N -0.40 -1.35 -0.51 0.26 3.38 -0.23 -2.32 115.31 114.14 1i6h h LEU 1026Ca 0.06 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1i6h h LEU 1026Cb 0.58 0.51 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 1i6h h LEU 1026CO -0.54 -0.41 -0.43 0.40 0.09 0.00 0.00 178.44 177.55 1i6h h ILE 1027N -0.52 0.00 -1.28 1.22 2.04 0.13 0.10 117.51 119.20 1i6h h ILE 1027Ca 0.01 0.00 0.45 0.00 1.00 0.00 0.00 64.86 66.33 1i6h h ILE 1027Cb 0.57 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.51 1i6h h ILE 1027CO -0.30 0.00 0.81 1.21 0.00 0.00 0.00 178.15 179.86 1i6h n GLU 1028N -4.68 -0.04 0.04 2.37 2.13 0.34 0.75 120.64 121.55 1i6h n GLU 1028Ca -0.01 1.22 -0.13 0.00 0.66 0.00 0.00 57.16 58.91 1i6h n GLU 1028Cb 0.23 -2.38 -0.09 0.00 0.27 0.00 0.00 31.44 29.47 1i6h n GLU 1028CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i6h h LEU 1030N -0.56 -1.45 0.64 0.00 5.85 0.75 0.68 115.31 121.23 1i6h h LEU 1030Ca -0.01 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1i6h h LEU 1030Cb 0.46 0.64 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1i6h h LEU 1030CO 0.02 -0.36 -0.44 0.25 -0.34 0.00 0.00 178.44 177.57 1i6h h LEU 1031N -0.31 -1.13 -1.97 2.25 5.85 -1.08 -2.41 115.31 116.51 1i6h h LEU 1031Ca 0.14 0.07 0.23 0.00 0.84 0.00 0.00 57.88 59.16 1i6h h LEU 1031Cb 0.58 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1i6h h LEU 1031CO -0.59 -0.65 0.61 0.28 -0.34 0.00 0.00 178.44 177.75 1i6h h SER 1032N -1.03 0.00 0.21 1.25 0.02 0.48 0.48 113.55 114.96 1i6h h SER 1032Ca -0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1i6h h SER 1032Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1i6h h SER 1032CO 0.06 0.00 -0.10 0.50 -1.14 0.00 0.00 176.83 176.15 1i6h h LYS 1033N 0.00 -0.27 -0.84 3.45 3.64 -0.61 -1.39 116.57 120.55 1i6h h LYS 1033Ca 0.37 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.92 1i6h h LYS 1033Cb 1.59 0.06 -0.15 0.00 -0.41 0.00 0.00 32.23 33.32 1i6h h LYS 1033CO -0.00 -0.18 -0.31 0.28 -2.27 0.00 0.00 179.45 176.97 1i6h h VAL 1034N -0.44 0.10 0.06 2.00 2.07 -0.88 -1.00 116.25 118.15 1i6h h VAL 1034Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1i6h h VAL 1034Cb 0.21 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 1i6h h VAL 1034CO 0.05 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 177.16 1i6h h ALA 1035N 1.49 -0.83 -0.80 1.67 0.00 -0.96 -0.13 119.26 119.70 1i6h h ALA 1035Ca 0.35 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1i6h h ALA 1035Cb 0.60 0.82 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 1i6h h ALA 1035CO -0.87 -1.04 0.42 0.00 0.00 0.00 0.00 179.25 177.75 1i6h h ALA 1036N -0.28 1.15 0.55 0.00 0.00 -0.36 0.41 119.26 120.73 1i6h h ALA 1036Ca 0.02 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1i6h h ALA 1036Cb 0.71 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1i6h h ALA 1036CO -0.30 -0.01 -0.46 -0.07 0.00 0.00 0.00 179.25 178.40 1i6h h LEU 1037N 0.67 -1.24 -1.28 0.00 3.38 -0.47 -2.98 115.31 113.39 1i6h h LEU 1037Ca 0.41 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1i6h h LEU 1037Cb 0.47 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1i6h h LEU 1037CO -0.30 -0.64 0.00 -1.54 0.09 0.00 0.00 178.44 176.05 1i6h n SER 1038N -5.28 1.78 -4.16 -0.43 3.41 -0.13 -4.90 113.62 103.91 1i6h n SER 1038Ca -0.12 -2.14 -0.34 0.00 -0.26 0.00 0.00 58.87 56.01 1i6h n SER 1038Cb 0.44 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1i6h n SER 1038CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i6h n GLY 1039N 0.48 -0.42 3.31 5.00 0.00 0.13 -4.95 105.19 108.76 1i6h n GLY 1039Ca 0.07 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1i6h n GLY 1039CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i6h s ASN 1040N -3.46 3.08 0.05 1.61 0.01 -0.67 -5.03 114.94 110.54 1i6h s ASN 1040Ca 0.62 -0.46 -0.31 0.00 -0.71 0.00 0.00 52.86 52.00 1i6h s ASN 1040Cb -0.34 -0.39 -0.07 0.00 0.41 0.00 0.00 41.25 40.87 1i6h s ASN 1040CO 0.92 0.32 1.43 -0.70 -1.51 0.00 0.00 177.10 177.55 1i6h s GLU 1041N -0.59 4.29 -0.10 -0.60 2.12 -1.26 -4.43 118.70 118.13 1i6h s GLU 1041Ca 0.09 2.05 -0.30 0.00 0.36 0.00 0.00 54.97 57.17 1i6h s GLU 1041Cb -0.10 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 1i6h s GLU 1041CO -0.01 -0.54 1.05 0.20 -0.54 0.00 0.00 175.26 175.42 1i6h s GLY 1042N 1.68 2.30 -0.91 -1.50 0.00 0.05 -4.98 107.32 103.95 1i6h s GLY 1042Ca 0.65 0.43 -0.16 0.00 0.00 0.00 0.00 44.72 45.64 1i6h s GLY 1042CO 0.29 1.98 0.98 -0.35 0.00 0.00 0.00 173.10 176.00 1i6h s ASP 1043N 1.18 6.77 -0.62 1.64 2.15 -1.26 -0.93 116.67 125.59 1i6h s ASP 1043Ca 0.50 -2.51 -0.02 0.00 0.43 0.00 0.00 52.55 50.95 1i6h s ASP 1043Cb -0.20 -2.30 0.28 0.00 -0.30 0.00 0.00 42.92 40.40 1i6h s ASP 1043CO 0.19 -0.77 2.22 0.00 -0.17 0.00 0.00 175.17 176.64 1i6h n ALA 1044N 5.06 6.25 -1.77 3.66 0.00 -0.25 -4.95 120.51 128.50 1i6h n ALA 1044Ca 0.20 -3.30 -0.38 0.00 0.00 0.00 0.00 53.44 49.96 1i6h n ALA 1044Cb 0.47 -1.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.00 1i6h n ALA 1044CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i6h s SER 1045N -0.71 6.92 0.00 0.00 0.01 -1.23 -1.25 113.70 117.45 1i6h s SER 1045Ca 0.54 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.94 1i6h s SER 1045Cb 0.41 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1i6h s SER 1045CO -0.20 -0.38 0.00 -2.65 0.41 0.00 0.00 173.24 170.42 1i6h n PRO 1046N 0.40 0.00 -2.39 12.44 -0.02 -1.26 -4.24 135.00 139.93 1i6h n PRO 1046Ca 0.03 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 1i6h n PRO 1046Cb 0.48 -0.08 -0.03 0.00 -0.02 0.00 0.00 33.50 33.84 1i6h n PRO 1046CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1i6h s PHE 1047N 0.00 2.32 0.28 6.00 0.40 -1.26 -4.87 117.98 120.84 1i6h s PHE 1047Ca 0.00 -0.44 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1i6h s PHE 1047Cb 0.00 -4.48 -0.03 0.00 0.51 0.00 0.00 43.02 39.02 1i6h s PHE 1047CO 0.00 -1.83 0.21 0.95 0.70 0.00 0.00 175.22 175.25 1i6h s THR 1048N 6.70 0.03 -0.39 0.64 -4.23 -1.26 -5.00 115.64 112.13 1i6h s THR 1048Ca 0.55 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1i6h s THR 1048Cb -0.01 -2.50 0.60 0.00 1.34 0.00 0.00 72.50 71.93 1i6h s THR 1048CO -0.04 0.00 1.80 0.47 -0.54 0.00 0.00 174.62 176.31 1i6h n ASP 1049N -1.00 3.75 -4.64 3.99 8.00 -1.26 -4.92 116.55 120.48 1i6h n ASP 1049Ca 0.05 -3.39 -0.43 0.00 0.71 0.00 0.00 54.79 51.73 1i6h n ASP 1049Cb 0.64 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1i6h n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i6h s ILE 1050N -2.89 4.59 0.20 0.53 1.01 -1.26 -4.99 121.20 118.39 1i6h s ILE 1050Ca 0.50 1.65 0.04 0.00 0.00 0.00 0.00 60.65 62.84 1i6h s ILE 1050Cb 0.42 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1i6h s ILE 1050CO 0.10 -0.40 0.33 -0.89 0.00 0.00 0.00 174.94 174.08 1i6h s THR 1051N 3.45 5.28 -0.00 2.92 2.01 -1.26 -4.99 115.64 123.05 1i6h s THR 1051Ca 0.42 -0.82 0.27 0.00 0.31 0.00 0.00 61.69 61.88 1i6h s THR 1051Cb -0.13 -3.80 0.30 0.00 0.01 0.00 0.00 72.50 68.88 1i6h s THR 1051CO 0.14 -0.22 1.82 0.58 -0.69 0.00 0.00 174.62 176.25 1i6h h VAL 1052N 1.38 0.26 0.00 3.82 2.07 -1.96 -2.91 116.25 118.92 1i6h h VAL 1052Ca -0.50 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1i6h h VAL 1052Cb 1.21 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1i6h h VAL 1052CO 0.65 0.11 0.00 -0.62 0.02 0.00 0.00 177.57 177.73 1i6h n GLU 1053N -3.21 0.00 -0.28 1.57 -0.58 -1.26 -1.50 120.64 115.38 1i6h n GLU 1053Ca 0.01 0.34 0.24 0.00 -0.42 0.00 0.00 57.16 57.33 1i6h n GLU 1053Cb 0.42 -1.00 0.41 0.00 -0.57 0.00 0.00 31.44 30.71 1i6h n GLU 1053CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i6h n GLY 1054N 1.20 -0.51 0.09 0.62 0.00 -1.23 0.13 105.19 105.49 1i6h n GLY 1054Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 1i6h n GLY 1054CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i6h h ILE 1055N 0.00 1.16 -0.50 -0.61 2.04 -1.56 -2.46 117.51 115.58 1i6h h ILE 1055Ca 0.55 -1.51 0.12 0.00 1.00 0.00 0.00 64.86 65.01 1i6h h ILE 1055Cb 1.71 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 39.81 1i6h h ILE 1055CO -0.32 0.34 0.35 0.28 0.00 0.00 0.00 178.15 178.80 1i6h h SER 1056N -0.86 0.15 -0.47 1.72 0.02 0.22 0.38 113.55 114.71 1i6h h SER 1056Ca -0.01 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1i6h h SER 1056Cb 0.62 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1i6h h SER 1056CO 0.02 0.09 -0.18 0.11 -1.14 0.00 0.00 176.83 175.72 1i6h h LYS 1057N 0.16 0.95 -0.25 3.45 1.57 -0.31 -2.34 116.57 119.80 1i6h h LYS 1057Ca 0.24 -0.40 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1i6h h LYS 1057Cb 0.72 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1i6h h LYS 1057CO -0.04 1.06 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.70 1i6h h LEU 1058N 0.80 0.55 -1.61 2.94 3.38 0.10 -3.04 115.31 118.43 1i6h h LEU 1058Ca 0.11 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1i6h h LEU 1058Cb 0.75 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1i6h h LEU 1058CO 0.06 0.85 0.03 0.25 0.09 0.00 0.00 178.44 179.73 1i6h h LEU 1059N 0.25 0.25 -0.18 1.67 5.85 -0.70 -2.61 115.31 119.84 1i6h h LEU 1059Ca 0.05 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1i6h h LEU 1059Cb 0.65 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1i6h h LEU 1059CO 0.04 0.27 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.25 1i6h h ARG 1060N 0.28 0.37 0.00 1.25 9.65 -1.37 -1.52 114.38 123.04 1i6h h ARG 1060Ca 0.07 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1i6h h ARG 1060Cb 0.14 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1i6h h ARG 1060CO -0.00 0.66 0.44 0.93 2.80 0.00 0.00 179.97 184.81 1i6h h GLU 1061N 0.07 0.00 -0.66 0.20 5.08 -1.35 1.86 114.58 119.77 1i6h h GLU 1061Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1i6h h GLU 1061Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1i6h h GLU 1061CO 0.02 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.75 1i6h n HIS 1062N -2.68 1.61 -1.47 4.33 8.25 -0.59 -4.92 115.22 119.75 1i6h n HIS 1062Ca -0.01 -0.57 -0.14 0.00 -0.26 0.00 0.00 57.72 56.74 1i6h n HIS 1062Cb 0.48 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 1i6h n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i6h n GLY 1063N 0.56 1.32 3.33 -1.41 0.00 0.63 -5.01 105.19 104.61 1i6h n GLY 1063Ca 0.22 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1i6h n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i6h s TYR 1064N -2.53 2.02 0.11 1.61 1.51 -1.13 -5.04 117.35 113.90 1i6h s TYR 1064Ca 0.00 -0.40 -0.36 0.00 -1.01 0.00 0.00 57.07 55.31 1i6h s TYR 1064Cb 0.00 -1.11 -0.15 0.00 -0.11 0.00 0.00 41.96 40.58 1i6h s TYR 1064CO 0.00 0.25 1.46 0.94 -1.11 0.00 0.00 175.55 177.09 1i6h n GLN 1065N 1.10 1.60 0.00 -0.62 -0.06 -1.26 -3.53 117.38 114.61 1i6h n GLN 1065Ca -0.19 0.58 0.00 0.00 -2.00 0.00 0.00 57.00 55.39 1i6h n GLN 1065Cb 0.53 -2.28 0.00 0.00 -4.06 0.00 0.00 30.24 24.43 1i6h n GLN 1065CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1i6h n SER 1066N 3.05 0.00 0.00 1.69 3.41 -1.26 -3.03 113.62 117.48 1i6h n SER 1066Ca 0.18 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1i6h n SER 1066Cb 0.23 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1i6h n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1i6h n ARG 1067N -0.37 2.82 0.00 4.33 5.12 -1.26 -4.40 116.66 122.89 1i6h n ARG 1067Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1i6h n ARG 1067Cb 0.00 -0.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 1i6h n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i6h n GLY 1068N 1.29 1.30 3.83 -0.13 0.00 -1.17 -4.83 105.19 105.47 1i6h n GLY 1068Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1i6h n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i6h s PHE 1069N -1.89 3.28 -0.29 1.61 0.40 -1.25 0.92 117.98 120.77 1i6h s PHE 1069Ca 0.00 1.50 -0.11 0.00 -0.60 0.00 0.00 56.93 57.72 1i6h s PHE 1069Cb 0.00 -2.88 0.12 0.00 0.51 0.00 0.00 43.02 40.77 1i6h s PHE 1069CO 0.00 -0.59 0.64 -1.21 0.70 0.00 0.00 175.22 174.77 1i6h s GLU 1070N -3.95 0.59 0.25 0.44 2.02 -0.45 -4.45 118.70 113.15 1i6h s GLU 1070Ca 0.61 1.38 -0.29 0.00 0.02 0.00 0.00 54.97 56.69 1i6h s GLU 1070Cb -0.12 0.68 -0.15 0.00 0.10 0.00 0.00 34.13 34.64 1i6h s GLU 1070CO 0.31 -0.19 0.88 0.28 0.02 0.00 0.00 175.26 176.56 1i6h n VAL 1071N 5.19 1.85 -4.02 2.63 0.31 -1.26 -3.43 118.33 119.60 1i6h n VAL 1071Ca -0.14 -0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 63.61 1i6h n VAL 1071Cb 0.51 -0.67 -0.13 0.00 -0.91 0.00 0.00 33.84 32.65 1i6h n VAL 1071CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1i6h s MET 1072N -1.24 0.33 -0.10 5.55 -1.94 -1.26 -4.20 119.30 116.42 1i6h s MET 1072Ca 0.62 -0.40 -0.02 0.00 -1.71 0.00 0.00 55.69 54.18 1i6h s MET 1072Cb -0.79 -0.15 -0.03 0.00 2.01 0.00 0.00 34.83 35.86 1i6h s MET 1072CO 0.58 0.03 -0.02 0.71 -0.01 0.00 0.00 175.02 176.31 1i6h s TYR 1073N -0.77 3.09 -0.14 -0.03 1.51 0.92 -0.61 117.35 121.32 1i6h s TYR 1073Ca -0.06 0.04 -0.29 0.00 -1.01 0.00 0.00 57.07 55.75 1i6h s TYR 1073Cb -0.06 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.91 1i6h s TYR 1073CO -0.00 0.31 1.86 1.21 -1.11 0.00 0.00 175.55 177.82 1i6h s ASN 1074N -0.51 6.19 0.29 2.29 3.84 -0.88 -0.30 114.94 125.86 1i6h s ASN 1074Ca 0.08 2.03 0.03 0.00 0.21 0.00 0.00 52.86 55.21 1i6h s ASN 1074Cb -0.12 -2.53 0.73 0.00 -0.55 0.00 0.00 41.25 38.79 1i6h s ASN 1074CO 0.02 -1.35 1.64 1.23 -2.79 0.00 0.00 177.10 175.86 1i6h h GLY 1075N 12.11 1.40 0.99 1.21 0.00 -1.71 0.74 103.07 117.81 1i6h h GLY 1075Ca -0.40 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1i6h h GLY 1075CO 0.97 -0.38 -0.42 0.45 0.00 0.00 0.00 176.54 177.16 1i6h h HIS 1076N 0.20 -1.08 0.09 5.60 3.86 -1.79 -3.35 115.15 118.68 1i6h h HIS 1076Ca 0.56 -0.02 -0.26 0.00 -1.16 0.00 0.00 60.37 59.49 1i6h h HIS 1076Cb 1.15 0.36 -0.01 0.00 1.06 0.00 0.00 27.41 29.98 1i6h h HIS 1076CO -0.26 -0.66 -1.26 1.15 0.86 0.00 0.00 177.93 177.76 1i6h h THR 1077N -1.14 1.46 0.00 2.45 2.02 -1.83 -3.48 112.91 112.39 1i6h h THR 1077Ca -0.11 -3.09 0.00 0.00 0.77 0.00 0.00 66.41 63.97 1i6h h THR 1077Cb 0.88 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1i6h h THR 1077CO 0.18 0.88 0.00 0.61 0.37 0.00 0.00 175.52 177.56 1i6h n GLY 1078N 1.51 2.78 3.56 2.16 0.00 0.25 -5.00 105.19 110.45 1i6h n GLY 1078Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1i6h n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i6h s LYS 1079N -0.30 -0.79 0.45 1.61 2.20 -1.26 -4.67 119.74 116.98 1i6h s LYS 1079Ca 0.00 0.42 -0.09 0.00 -0.36 0.00 0.00 55.97 55.94 1i6h s LYS 1079Cb 0.00 -1.60 -0.05 0.00 -1.51 0.00 0.00 37.83 34.66 1i6h s LYS 1079CO 0.00 -3.53 0.81 0.15 -0.36 0.00 0.00 175.35 172.42 1i6h s LYS 1080N -4.92 3.68 -0.24 4.03 1.02 -1.26 -2.07 119.74 119.98 1i6h s LYS 1080Ca 0.68 0.42 -0.17 0.00 0.02 0.00 0.00 55.97 56.91 1i6h s LYS 1080Cb -0.18 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.75 1i6h s LYS 1080CO 0.59 -0.15 0.47 -0.51 -0.92 0.00 0.00 175.35 174.83 1i6h s LEU 1081N -4.29 4.09 0.49 3.17 1.43 0.22 -4.73 118.68 119.06 1i6h s LEU 1081Ca 0.50 0.52 0.19 0.00 -1.03 0.00 0.00 54.13 54.31 1i6h s LEU 1081Cb -0.10 -2.60 1.05 0.00 0.03 0.00 0.00 46.19 44.56 1i6h s LEU 1081CO 0.38 -0.20 1.54 -0.03 0.23 0.00 0.00 176.35 178.26 1i6h h MET 1082N 7.79 0.00 -4.62 1.70 1.85 -1.96 -3.38 114.93 116.31 1i6h h MET 1082Ca -0.32 0.00 -0.60 0.00 -0.61 0.00 0.00 59.70 58.17 1i6h h MET 1082Cb 1.15 0.00 -0.36 0.00 0.43 0.00 0.00 31.60 32.82 1i6h h MET 1082CO 0.71 0.00 -0.83 0.00 -0.40 0.00 0.00 176.91 176.39 1i6h s ALA 1083N -3.69 1.86 0.75 0.39 0.00 -1.26 -5.11 121.76 114.69 1i6h s ALA 1083Ca -0.02 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 1i6h s ALA 1083Cb 0.06 -1.09 0.05 0.00 0.00 0.00 0.00 23.12 22.13 1i6h s ALA 1083CO 0.18 -0.48 1.17 -0.65 0.00 0.00 0.00 175.76 175.98 1i6h s GLN 1084N 1.48 2.09 0.10 0.00 1.11 -1.26 -4.80 119.66 118.38 1i6h s GLN 1084Ca 0.04 1.60 0.09 0.00 0.01 0.00 0.00 55.36 57.10 1i6h s GLN 1084Cb -0.13 -1.84 -0.03 0.00 -1.01 0.00 0.00 33.01 29.99 1i6h s GLN 1084CO -0.10 -1.84 -0.22 0.42 0.01 0.00 0.00 175.29 173.56 1i6h s ILE 1085N -2.24 1.81 -0.37 1.08 1.01 -1.22 -4.86 121.20 116.41 1i6h s ILE 1085Ca 0.71 -1.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 1i6h s ILE 1085Cb -0.25 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.59 1i6h s ILE 1085CO 0.47 0.01 1.57 0.12 0.00 0.00 0.00 174.94 177.12 1i6h s PHE 1086N -1.09 2.15 -0.08 3.97 5.36 -1.26 -1.34 117.98 125.69 1i6h s PHE 1086Ca 0.08 0.65 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 1i6h s PHE 1086Cb -0.10 -4.23 0.02 0.00 -0.34 0.00 0.00 43.02 38.37 1i6h s PHE 1086CO 0.04 -2.41 -0.09 0.12 -1.46 0.00 0.00 175.22 171.42 1i6h s PHE 1087N 5.99 1.32 -0.03 10.12 5.36 0.26 -2.64 117.98 138.37 1i6h s PHE 1087Ca 0.69 -0.54 -0.29 0.00 -0.96 0.00 0.00 56.93 55.83 1i6h s PHE 1087Cb -0.18 -1.05 0.10 0.00 -0.34 0.00 0.00 43.02 41.55 1i6h s PHE 1087CO 0.33 -0.35 1.31 0.20 -1.46 0.00 0.00 175.22 175.25 1i6h s GLY 1088N 1.11 -0.18 -0.01 13.12 0.00 -1.03 -4.74 107.32 115.59 1i6h s GLY 1088Ca -0.07 0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.64 1i6h s GLY 1088CO -0.01 5.15 0.45 2.56 0.00 0.00 0.00 173.10 181.24 1i6h s PRO 1089N -2.05 4.04 -0.04 2.90 0.04 -1.26 -0.67 135.00 137.95 1i6h s PRO 1089Ca 0.28 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 61.78 1i6h s PRO 1089Cb 0.00 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.32 1i6h s PRO 1089CO -0.02 0.60 0.08 0.99 0.04 0.00 0.00 177.00 178.69 1i6h s THR 1090N -0.82 -0.07 -0.02 1.26 2.01 -0.30 -4.41 115.64 113.30 1i6h s THR 1090Ca 0.25 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 1i6h s THR 1090Cb -0.17 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.12 1i6h s THR 1090CO 0.14 0.09 1.97 -0.47 -0.69 0.00 0.00 174.62 175.66 1i6h s TYR 1091N 1.24 1.34 -0.03 4.92 5.04 -1.26 -3.30 117.35 125.30 1i6h s TYR 1091Ca -0.08 -0.21 0.06 0.00 -2.44 0.00 0.00 57.07 54.40 1i6h s TYR 1091Cb -0.12 -4.16 -0.01 0.00 0.35 0.00 0.00 41.96 38.02 1i6h s TYR 1091CO -0.04 -5.10 -0.21 0.71 -1.34 0.00 0.00 175.55 169.57 1i6h s TYR 1092N 5.09 1.94 0.11 4.97 1.51 0.28 -4.12 117.35 127.14 1i6h s TYR 1092Ca 0.89 -0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 56.43 1i6h s TYR 1092Cb -0.40 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.13 1i6h s TYR 1092CO 0.39 -0.10 0.36 -0.65 -1.11 0.00 0.00 175.55 174.44 1i6h s GLN 1093N -0.30 3.63 -0.53 -0.62 -0.21 -0.09 -0.52 119.66 121.02 1i6h s GLN 1093Ca 0.03 -0.05 -0.10 0.00 0.02 0.00 0.00 55.36 55.26 1i6h s GLN 1093Cb -0.10 -2.91 0.14 0.00 1.00 0.00 0.00 33.01 31.14 1i6h s GLN 1093CO 0.01 0.51 0.43 0.50 -2.12 0.00 0.00 175.29 174.61 1i6h s ARG 1094N -2.40 2.69 0.58 2.91 3.52 -1.26 -2.12 118.95 122.87 1i6h s ARG 1094Ca 0.38 -1.90 -0.17 0.00 -0.13 0.00 0.00 55.73 53.90 1i6h s ARG 1094Cb -0.13 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.20 1i6h s ARG 1094CO 0.22 -1.23 1.08 -0.51 -0.81 0.00 0.00 175.30 174.06 1i6h s LEU 1095N 1.15 3.59 0.94 -0.88 1.43 -1.03 -2.47 118.68 121.41 1i6h s LEU 1095Ca 0.08 1.96 -0.15 0.00 -1.03 0.00 0.00 54.13 54.99 1i6h s LEU 1095Cb -0.25 -4.55 0.17 0.00 0.03 0.00 0.00 46.19 41.59 1i6h s LEU 1095CO -0.01 -1.22 1.25 0.00 0.23 0.00 0.00 176.35 176.60 1i6h s ARG 1096N -3.76 0.87 0.00 1.70 1.70 -0.23 -4.61 118.95 114.63 1i6h s ARG 1096Ca 0.67 -0.18 0.00 0.00 -0.47 0.00 0.00 55.73 55.75 1i6h s ARG 1096Cb -0.19 -1.85 0.00 0.00 -0.57 0.00 0.00 34.95 32.34 1i6h s ARG 1096CO 0.33 -2.29 0.00 0.72 -1.08 0.00 0.00 175.30 172.97 1i6h n HIS 1097N -3.74 0.00 -5.09 5.89 8.25 -1.26 -4.84 115.22 114.44 1i6h n HIS 1097Ca 0.12 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.26 1i6h n HIS 1097Cb 0.60 -1.15 -0.16 0.00 1.12 0.00 0.00 29.99 30.41 1i6h n HIS 1097CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1i6h s MET 1098N -0.04 2.91 0.05 -0.41 -1.94 -1.26 -3.98 119.30 114.63 1i6h s MET 1098Ca 0.00 -0.82 -0.11 0.00 -1.71 0.00 0.00 55.69 53.05 1i6h s MET 1098Cb 0.00 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 1i6h s MET 1098CO 0.00 0.30 0.62 0.28 -0.01 0.00 0.00 175.02 176.21 1i6h n VAL 1099N 3.20 -0.23 -0.25 -6.03 0.31 -1.26 0.16 118.33 114.23 1i6h n VAL 1099Ca -0.18 0.96 0.31 0.00 -0.01 0.00 0.00 64.34 65.43 1i6h n VAL 1099Cb 0.52 -1.20 0.73 0.00 -0.91 0.00 0.00 33.84 32.98 1i6h n VAL 1099CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1i6h h ASP 1100N 0.00 0.02 0.18 4.52 3.32 -1.96 1.29 116.42 123.79 1i6h h ASP 1100Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1i6h h ASP 1100Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1i6h h ASP 1100CO -0.32 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.67 1i6h n ASP 1101N -4.24 0.00 0.00 6.45 8.00 0.43 -3.85 116.55 123.34 1i6h n ASP 1101Ca 0.22 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1i6h n ASP 1101Cb 1.09 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1i6h n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1i6h n LYS 1102N -1.11 3.35 0.00 -1.24 5.02 0.43 -4.89 118.16 119.72 1i6h n LYS 1102Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1i6h n LYS 1102Cb 0.13 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1i6h n LYS 1102CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i6h n ILE 1103N -1.77 0.00 -1.10 -0.18 5.41 -0.48 -4.86 119.36 116.38 1i6h n ILE 1103Ca 0.00 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 1i6h n ILE 1103Cb 0.41 -0.17 0.01 0.00 -0.71 0.00 0.00 39.64 39.18 1i6h n ILE 1103CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1i6h n HIS 1104N 0.00 -2.75 -3.15 1.39 -0.00 -1.26 -4.99 115.22 104.46 1i6h n HIS 1104Ca 0.00 0.37 0.05 0.00 0.46 0.00 0.00 57.72 58.60 1i6h n HIS 1104Cb 0.00 -1.49 -0.01 0.00 -0.12 0.00 0.00 29.99 28.37 1i6h n HIS 1104CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1i6h s ALA 1105N -1.78 -3.45 0.13 1.57 0.00 -1.26 -5.17 121.76 111.80 1i6h s ALA 1105Ca 0.50 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.93 1i6h s ALA 1105Cb -0.42 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1i6h s ALA 1105CO 0.60 -1.65 0.05 0.50 0.00 0.00 0.00 175.76 175.26 1i6h s ARG 1106N 2.94 2.67 -0.39 0.00 3.52 -1.26 -5.07 118.95 121.35 1i6h s ARG 1106Ca 0.09 -0.90 0.09 0.00 -0.13 0.00 0.00 55.73 54.88 1i6h s ARG 1106Cb -0.08 -2.55 0.27 0.00 -1.56 0.00 0.00 34.95 31.03 1i6h s ARG 1106CO -0.16 0.50 0.60 0.00 -0.81 0.00 0.00 175.30 175.43 1i6h n ALA 1107N 0.09 2.02 -2.31 6.12 0.00 -1.26 -5.01 120.51 120.16 1i6h n ALA 1107Ca -0.09 -3.23 -0.04 0.00 0.00 0.00 0.00 53.44 50.08 1i6h n ALA 1107Cb 0.54 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1i6h n ALA 1107CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1i6h n ARG 1108N 1.17 -3.26 0.00 0.00 1.85 -1.26 -5.10 116.66 110.06 1i6h n ARG 1108Ca 0.21 2.60 0.00 0.00 -1.00 0.00 0.00 57.85 59.66 1i6h n ARG 1108Cb 0.57 -4.01 0.00 0.00 -1.05 0.00 0.00 32.46 27.97 1i6h n ARG 1108CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i6h n GLY 1109N 1.14 3.51 3.77 2.89 0.00 -1.26 -5.12 105.19 110.13 1i6h n GLY 1109Ca -0.27 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 1i6h n GLY 1109CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i6h s PRO 1110N 4.28 4.64 0.16 1.61 0.04 -1.26 -5.03 135.00 139.43 1i6h s PRO 1110Ca 0.00 1.38 0.11 0.00 0.04 0.00 0.00 61.00 62.52 1i6h s PRO 1110Cb 0.00 -2.91 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 1i6h s PRO 1110CO 0.00 0.32 -0.22 -1.64 0.04 0.00 0.00 177.00 175.50 1i6h s MET 1111N -1.86 1.59 0.41 4.56 -1.94 -1.26 -2.87 119.30 117.93 1i6h s MET 1111Ca 0.48 -1.39 -0.27 0.00 -1.71 0.00 0.00 55.69 52.81 1i6h s MET 1111Cb -0.20 -1.94 -0.10 0.00 2.01 0.00 0.00 34.83 34.60 1i6h s MET 1111CO 0.26 0.43 1.43 -0.65 -0.01 0.00 0.00 175.02 176.49 1i6h s GLN 1112N -2.42 3.92 0.19 2.03 -0.21 0.14 -4.85 119.66 118.46 1i6h s GLN 1112Ca 0.19 2.45 0.00 0.00 0.02 0.00 0.00 55.36 58.02 1i6h s GLN 1112Cb -0.09 -2.82 0.11 0.00 1.00 0.00 0.00 33.01 31.21 1i6h s GLN 1112CO 0.09 -0.64 1.47 0.28 -2.12 0.00 0.00 175.29 174.38 1i6h h VAL 1113N 2.63 1.38 -0.13 1.09 2.07 -1.97 -0.35 116.25 120.98 1i6h h VAL 1113Ca -0.51 -2.10 -0.22 0.00 0.82 0.00 0.00 66.70 64.69 1i6h h VAL 1113Cb 1.25 2.08 0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1i6h h VAL 1113CO 0.63 0.63 -0.80 0.25 0.02 0.00 0.00 177.57 178.30 1i6h h LEU 1114N 0.25 0.88 -0.16 2.57 5.85 -1.96 -3.36 115.31 119.38 1i6h h LEU 1114Ca -0.02 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1i6h h LEU 1114Cb 1.24 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1i6h h LEU 1114CO 0.11 1.38 -0.36 0.41 -0.34 0.00 0.00 178.44 179.65 1i6h n THR 1115N -3.91 0.00 -2.11 1.05 -1.04 -1.25 -4.95 114.28 102.07 1i6h n THR 1115Ca -0.07 -0.32 -0.21 0.00 -2.04 0.00 0.00 64.05 61.41 1i6h n THR 1115Cb 0.76 1.02 -0.04 0.00 -1.82 0.00 0.00 70.33 70.25 1i6h n THR 1115CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1i6h n ARG 1116N -1.00 -1.57 -4.35 -2.82 1.74 -0.14 -3.90 116.66 104.62 1i6h n ARG 1116Ca 0.02 1.08 -0.32 0.00 -0.77 0.00 0.00 57.85 57.86 1i6h n ARG 1116Cb 0.15 -5.62 -0.10 0.00 -1.02 0.00 0.00 32.46 25.87 1i6h n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1i6h s GLN 1117N -4.57 2.52 0.42 5.56 -0.21 -1.25 -3.84 119.66 118.29 1i6h s GLN 1117Ca 0.00 -0.77 -0.21 0.00 0.02 0.00 0.00 55.36 54.40 1i6h s GLN 1117Cb 0.00 -2.50 -0.14 0.00 1.00 0.00 0.00 33.01 31.37 1i6h s GLN 1117CO 0.00 0.58 0.26 -2.30 -2.12 0.00 0.00 175.29 171.72 1i6h n PRO 1118N 1.27 0.22 -2.05 2.91 -0.02 -1.26 0.25 135.00 136.32 1i6h n PRO 1118Ca -0.14 0.08 -0.30 0.00 -2.02 0.00 0.00 63.50 61.12 1i6h n PRO 1118Cb 0.52 -1.22 0.03 0.00 -0.02 0.00 0.00 33.50 32.81 1i6h n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1i6h s VAL 1119N -1.62 4.13 0.57 -1.45 -7.23 -1.14 -4.54 120.40 109.12 1i6h s VAL 1119Ca 0.61 0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 61.26 1i6h s VAL 1119Cb -0.61 -3.66 0.02 0.00 0.56 0.00 0.00 36.38 32.68 1i6h s VAL 1119CO 0.61 -0.82 0.86 -0.70 -0.31 0.00 0.00 175.10 174.74 1i6h s GLU 1120N -5.16 2.82 0.39 4.82 2.12 -1.26 -0.83 118.70 121.59 1i6h s GLU 1120Ca 0.55 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.67 1i6h s GLU 1120Cb -0.11 -2.34 0.00 0.00 0.26 0.00 0.00 34.13 31.95 1i6h s GLU 1120CO 0.51 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1i6h n GLY 1121N -2.51 -3.30 0.06 -1.50 0.00 -1.26 -4.36 105.19 92.33 1i6h n GLY 1121Ca 0.05 -1.13 0.09 0.00 0.00 0.00 0.00 46.02 45.03 1i6h n GLY 1121CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i6h n ARG 1122N -3.01 0.64 0.33 1.61 1.85 -1.26 -0.91 116.66 115.91 1i6h n ARG 1122Ca -0.04 -0.03 0.22 0.00 -1.00 0.00 0.00 57.85 57.00 1i6h n ARG 1122Cb 0.39 -1.67 1.14 0.00 -1.05 0.00 0.00 32.46 31.27 1i6h n ARG 1122CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1i6h h SER 1123N 0.00 0.00 -0.02 2.89 4.64 -2.01 0.13 113.55 119.19 1i6h h SER 1123Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1i6h h SER 1123Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1i6h h SER 1123CO 0.01 0.00 -0.11 0.54 -0.87 0.00 0.00 176.83 176.39 1i6h n ARG 1124N -3.14 1.39 -2.92 4.77 1.74 -1.24 -4.72 116.66 112.54 1i6h n ARG 1124Ca -0.03 -1.17 -0.12 0.00 -0.77 0.00 0.00 57.85 55.77 1i6h n ARG 1124Cb 0.10 -1.27 0.06 0.00 -1.02 0.00 0.00 32.46 30.33 1i6h n ARG 1124CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1i6h n ASP 1125N 0.48 -4.11 -1.47 0.55 2.03 0.47 -4.81 116.55 109.68 1i6h n ASP 1125Ca 0.08 -0.51 0.00 0.00 0.52 0.00 0.00 54.79 54.88 1i6h n ASP 1125Cb 0.36 -4.01 0.00 0.00 -0.72 0.00 0.00 41.12 36.75 1i6h n ASP 1125CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i6h n GLY 1126N -1.22 0.83 3.50 0.27 0.00 -0.09 -4.39 105.19 104.10 1i6h n GLY 1126Ca -0.12 -1.80 -0.24 0.00 0.00 0.00 0.00 46.02 43.86 1i6h n GLY 1126CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i6h s GLY 1127N -0.73 2.03 0.25 -0.02 0.00 -0.01 -4.49 107.32 104.34 1i6h s GLY 1127Ca 0.00 -1.99 -0.14 0.00 0.00 0.00 0.00 44.72 42.59 1i6h s GLY 1127CO 0.00 -1.98 0.64 1.08 0.00 0.00 0.00 173.10 172.85 1i6h s LEU 1128N -3.55 4.19 -0.25 0.66 1.43 -1.26 -4.76 118.68 115.14 1i6h s LEU 1128Ca 0.31 1.15 -0.29 0.00 -1.03 0.00 0.00 54.13 54.27 1i6h s LEU 1128Cb 0.01 -3.74 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 1i6h s LEU 1128CO 0.15 -0.07 1.34 -0.60 0.23 0.00 0.00 176.35 177.39 1i6h s ARG 1129N -2.59 3.99 -0.83 1.70 6.06 -1.26 -4.90 118.95 121.13 1i6h s ARG 1129Ca 0.47 1.43 -0.00 0.00 -2.50 0.00 0.00 55.73 55.13 1i6h s ARG 1129Cb -0.12 -3.87 0.35 0.00 0.06 0.00 0.00 34.95 31.37 1i6h s ARG 1129CO 0.19 -1.02 1.74 0.34 -2.50 0.00 0.00 175.30 174.05 1i6h n PHE 1130N 7.43 3.08 -0.21 5.12 7.35 -1.26 -5.01 117.46 133.96 1i6h n PHE 1130Ca 0.15 -2.67 -0.22 0.00 -0.76 0.00 0.00 57.45 53.95 1i6h n PHE 1130Cb 0.46 -0.97 0.21 0.00 0.35 0.00 0.00 39.48 39.53 1i6h n PHE 1130CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1i6h n GLY 1131N -0.35 -3.58 0.26 7.13 0.00 -1.26 -4.56 105.19 102.83 1i6h n GLY 1131Ca 0.47 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.27 1i6h n GLY 1131CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i6h n GLU 1132N -4.37 -0.28 -0.24 1.61 -0.58 -1.26 -1.91 120.64 113.61 1i6h n GLU 1132Ca 0.10 1.17 0.05 0.00 -0.42 0.00 0.00 57.16 58.06 1i6h n GLU 1132Cb 0.43 -1.73 0.17 0.00 -0.57 0.00 0.00 31.44 29.74 1i6h n GLU 1132CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1i6h h MET 1133N 0.00 0.31 -0.84 3.49 4.05 -2.00 -1.06 114.93 118.88 1i6h h MET 1133Ca 0.10 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1i6h h MET 1133Cb 0.26 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1i6h h MET 1133CO -0.59 0.21 0.43 0.93 0.23 0.00 0.00 176.91 178.12 1i6h h GLU 1134N 0.32 1.19 0.19 0.39 3.07 -1.68 -2.91 114.58 115.15 1i6h h GLU 1134Ca 0.40 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1i6h h GLU 1134Cb 0.66 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1i6h h GLU 1134CO -0.46 0.89 -0.29 -0.09 -1.40 0.00 0.00 179.01 177.66 1i6h h ARG 1135N 1.18 -0.53 -0.94 2.33 2.43 -0.90 -1.96 114.38 115.99 1i6h h ARG 1135Ca 0.29 0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.75 1i6h h ARG 1135Cb 0.07 0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 29.61 1i6h h ARG 1135CO -0.04 -0.36 0.46 -0.44 -1.51 0.00 0.00 179.97 178.09 1i6h h ASP 1136N -0.55 0.42 -0.28 -3.80 3.32 -1.21 0.20 116.42 114.53 1i6h h ASP 1136Ca 0.01 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1i6h h ASP 1136Cb 0.55 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1i6h h ASP 1136CO -0.12 -0.02 0.15 0.00 -1.72 0.00 0.00 179.24 177.53 1i6h h MET 1138N 0.33 0.85 -0.68 0.00 2.86 -0.09 0.75 114.93 118.95 1i6h h MET 1138Ca 0.10 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1i6h h MET 1138Cb 0.08 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 1i6h h MET 1138CO -0.01 0.59 0.42 0.82 1.06 0.00 0.00 176.91 179.78 1i6h h ILE 1139N 0.87 1.08 -0.04 -1.22 2.04 -0.35 -0.85 117.51 119.04 1i6h h ILE 1139Ca 0.23 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1i6h h ILE 1139Cb -0.06 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1i6h h ILE 1139CO -0.05 0.15 -0.04 0.00 0.00 0.00 0.00 178.15 178.21 1i6h h ALA 1140N 1.29 1.86 -0.00 1.87 0.00 0.55 0.98 119.26 125.81 1i6h h ALA 1140Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1i6h h ALA 1140Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1i6h h ALA 1140CO -0.11 0.11 -0.05 0.72 0.00 0.00 0.00 179.25 179.92 1i6h n HIS 1141N -4.45 0.00 -1.45 0.00 8.25 0.13 -4.90 115.22 112.80 1i6h n HIS 1141Ca -0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.28 1i6h n HIS 1141Cb 0.14 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 1i6h n HIS 1141CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i6h n GLY 1142N 1.23 1.56 2.96 -1.41 0.00 0.34 -4.90 105.19 104.98 1i6h n GLY 1142Ca 0.16 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1i6h n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6h n ALA 1143N 1.29 5.13 0.05 4.61 0.00 -1.10 -4.85 120.51 125.64 1i6h n ALA 1143Ca -0.15 -4.35 -0.12 0.00 0.00 0.00 0.00 53.44 48.82 1i6h n ALA 1143Cb 0.51 -2.94 -0.05 0.00 0.00 0.00 0.00 19.45 16.98 1i6h n ALA 1143CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i6h h ALA 1144N 5.92 -0.42 -0.24 0.00 0.00 -1.90 -2.95 119.26 119.67 1i6h h ALA 1144Ca 0.37 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1i6h h ALA 1144Cb 0.66 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1i6h h ALA 1144CO 1.54 -0.81 -0.17 0.77 0.00 0.00 0.00 179.25 180.59 1i6h h SER 1145N -0.44 -0.54 -0.34 0.00 0.02 -2.00 -2.50 113.55 107.74 1i6h h SER 1145Ca 0.07 0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 1i6h h SER 1145Cb 0.54 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 1i6h h SER 1145CO -0.27 -0.21 -0.26 0.15 -1.14 0.00 0.00 176.83 175.11 1i6h h PHE 1146N -0.16 -0.69 -0.35 3.45 3.57 -1.97 -0.74 116.94 120.05 1i6h h PHE 1146Ca 0.13 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1i6h h PHE 1146Cb 0.36 0.36 -0.08 0.00 2.79 0.00 0.00 35.95 39.37 1i6h h PHE 1146CO -0.33 -0.33 -0.51 1.25 -2.23 0.00 0.00 178.31 176.15 1i6h h LEU 1147N -0.22 -1.69 -0.49 0.59 6.46 -1.29 0.21 115.31 118.88 1i6h h LEU 1147Ca 0.17 0.23 0.10 0.00 -0.12 0.00 0.00 57.88 58.25 1i6h h LEU 1147Cb 0.48 0.70 -0.09 0.00 -0.73 0.00 0.00 40.66 41.03 1i6h h LEU 1147CO -0.47 -0.41 -0.06 0.50 -0.62 0.00 0.00 178.44 177.38 1i6h h LYS 1148N -0.41 0.05 0.00 1.25 3.64 -1.03 0.12 116.57 120.19 1i6h h LYS 1148Ca 0.09 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1i6h h LYS 1148Cb 0.61 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1i6h h LYS 1148CO -0.56 0.03 -0.01 1.49 -2.27 0.00 0.00 179.45 178.14 1i6h h GLU 1149N 0.05 0.00 0.11 1.90 4.81 0.47 -0.98 114.58 120.94 1i6h h GLU 1149Ca 0.24 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.27 1i6h h GLU 1149Cb 0.37 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.76 1i6h h GLU 1149CO -0.46 0.01 -0.98 0.00 -0.73 0.00 0.00 179.01 176.85 1i6h h ARG 1150N 0.00 0.23 -0.17 1.92 2.47 0.17 -3.00 114.38 116.01 1i6h h ARG 1150Ca -0.00 -0.40 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1i6h h ARG 1150Cb 0.02 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1i6h h ARG 1150CO 0.00 1.19 0.00 1.28 0.56 0.00 0.00 179.97 183.00 1i6h n LEU 1151N -4.12 0.96 0.00 3.04 4.32 0.11 -4.27 117.00 117.03 1i6h n LEU 1151Ca -0.18 -0.47 0.00 0.00 -0.02 0.00 0.00 56.01 55.33 1i6h n LEU 1151Cb 0.81 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.50 1i6h n LEU 1151CO 0.43 0.24 0.00 0.23 -1.22 0.00 0.00 177.39 177.06 1i6h n MET 1152N 0.00 0.00 0.30 3.23 2.81 -0.40 -4.65 117.12 118.42 1i6h n MET 1152Ca 0.07 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 1i6h n MET 1152Cb 0.16 0.00 0.57 0.00 -0.71 0.00 0.00 33.22 33.24 1i6h n MET 1152CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1i6h h GLU 1153N 0.00 0.00 -4.76 0.03 5.08 -1.68 -3.26 114.58 109.99 1i6h h GLU 1153Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1i6h h GLU 1153Cb 0.00 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 28.89 1i6h h GLU 1153CO 0.00 0.00 -0.83 0.00 -1.00 0.00 0.00 179.01 177.18 1i6h s ALA 1154N -4.11 2.10 0.00 3.43 0.00 -1.14 -5.00 121.76 117.04 1i6h s ALA 1154Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1i6h s ALA 1154Cb 0.07 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1i6h s ALA 1154CO 0.22 -0.59 0.00 -1.13 0.00 0.00 0.00 175.76 174.25 1i6h n SER 1155N 4.67 0.00 -4.27 0.00 3.41 -1.23 -4.46 113.62 111.74 1i6h n SER 1155Ca -0.17 0.00 -0.57 0.00 -0.26 0.00 0.00 58.87 57.87 1i6h n SER 1155Cb 0.48 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 1i6h n SER 1155CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i6h n ASP 1156N 0.81 0.29 -3.55 4.04 8.00 -1.25 -4.84 116.55 120.05 1i6h n ASP 1156Ca 0.00 1.09 -0.01 0.00 0.71 0.00 0.00 54.79 56.59 1i6h n ASP 1156Cb 0.00 -0.85 -0.05 0.00 -0.02 0.00 0.00 41.12 40.20 1i6h n ASP 1156CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i6h s ALA 1157N 0.73 -2.31 -0.20 2.24 0.00 -1.25 -4.04 121.76 116.94 1i6h s ALA 1157Ca 0.89 2.23 -0.27 0.00 0.00 0.00 0.00 51.96 54.81 1i6h s ALA 1157Cb -1.25 -1.85 0.07 0.00 0.00 0.00 0.00 23.12 20.10 1i6h s ALA 1157CO 0.59 -0.84 0.70 0.12 0.00 0.00 0.00 175.76 176.34 1i6h s PHE 1158N 2.47 -0.74 -0.20 0.00 5.36 -0.83 -4.68 117.98 119.36 1i6h s PHE 1158Ca -0.05 1.66 -0.06 0.00 -0.96 0.00 0.00 56.93 57.52 1i6h s PHE 1158Cb -0.08 0.31 -0.03 0.00 -0.34 0.00 0.00 43.02 42.88 1i6h s PHE 1158CO -0.18 -0.45 0.02 0.50 -1.46 0.00 0.00 175.22 173.65 1i6h s ARG 1159N -0.14 3.71 0.11 10.12 3.00 -1.26 -2.02 118.95 132.47 1i6h s ARG 1159Ca -0.04 -0.47 0.09 0.00 -1.00 0.00 0.00 55.73 54.31 1i6h s ARG 1159Cb -0.03 -3.13 -0.04 0.00 0.00 0.00 0.00 34.95 31.75 1i6h s ARG 1159CO 0.04 0.06 -0.23 0.08 0.00 0.00 0.00 175.30 175.25 1i6h s VAL 1160N 0.90 1.89 -0.14 7.11 1.01 -1.03 -4.97 120.40 125.17 1i6h s VAL 1160Ca 0.02 -1.61 -0.05 0.00 0.00 0.00 0.00 61.98 60.34 1i6h s VAL 1160Cb -0.14 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1i6h s VAL 1160CO 0.02 -0.00 0.04 -1.00 0.00 0.00 0.00 175.10 174.16 1i6h s HIS 1161N -1.12 3.23 0.12 5.22 3.76 -1.26 -0.68 115.29 124.56 1i6h s HIS 1161Ca 0.09 0.10 0.09 0.00 -0.15 0.00 0.00 55.06 55.19 1i6h s HIS 1161Cb -0.10 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1i6h s HIS 1161CO 0.05 0.29 -0.22 0.42 -0.85 0.00 0.00 174.74 174.42 1i6h s ILE 1162N -0.18 1.90 -0.26 0.60 1.01 0.36 -4.09 121.20 120.53 1i6h s ILE 1162Ca 0.06 -1.65 -0.29 0.00 0.00 0.00 0.00 60.65 58.77 1i6h s ILE 1162Cb -0.12 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1i6h s ILE 1162CO 0.02 -0.04 1.18 0.00 0.00 0.00 0.00 174.94 176.09 1i6h n GLY 1164N 3.85 -0.10 0.41 0.00 0.00 -0.62 -2.59 105.19 106.14 1i6h n GLY 1164Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1i6h n GLY 1164CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i6h n ILE 1165N -0.49 0.00 -3.88 -0.61 5.41 -1.26 -4.92 119.36 113.61 1i6h n ILE 1165Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 1i6h n ILE 1165Cb 0.00 -0.68 -0.14 0.00 -0.71 0.00 0.00 39.64 38.11 1i6h n ILE 1165CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i6h n GLY 1167N 3.48 0.23 3.52 0.00 0.00 -1.19 -4.21 105.19 107.02 1i6h n GLY 1167Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1i6h n GLY 1167CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i6h s LEU 1168N 0.00 2.83 -0.36 0.99 1.43 -1.26 -0.77 118.68 121.54 1i6h s LEU 1168Ca 0.00 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1i6h s LEU 1168Cb 0.00 -1.65 -0.18 0.00 0.03 0.00 0.00 46.19 44.39 1i6h s LEU 1168CO 0.00 0.21 2.93 0.23 0.23 0.00 0.00 176.35 179.95 1i6h n MET 1169N 1.10 2.00 -0.83 1.70 2.81 -1.26 -2.91 117.12 119.73 1i6h n MET 1169Ca -0.15 -1.10 -0.05 0.00 -1.81 0.00 0.00 57.70 54.59 1i6h n MET 1169Cb 0.52 -2.11 0.22 0.00 -0.71 0.00 0.00 33.22 31.15 1i6h n MET 1169CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1i6h n THR 1170N 2.93 2.65 -3.59 2.03 -1.04 -1.26 -4.95 114.28 111.05 1i6h n THR 1170Ca 0.43 -2.32 -0.40 0.00 -2.04 0.00 0.00 64.05 59.72 1i6h n THR 1170Cb 0.60 -0.34 -0.11 0.00 -1.82 0.00 0.00 70.33 68.66 1i6h n THR 1170CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i6h s VAL 1171N -3.15 4.77 -0.18 12.58 1.01 -1.26 -4.52 120.40 129.66 1i6h s VAL 1171Ca 0.47 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1i6h s VAL 1171Cb 0.41 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1i6h s VAL 1171CO 0.05 -0.10 1.93 -0.63 0.00 0.00 0.00 175.10 176.35 1i6h s ILE 1172N 1.62 3.27 -0.53 2.22 1.01 -1.10 -4.80 121.20 122.89 1i6h s ILE 1172Ca 0.04 0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.75 1i6h s ILE 1172Cb -0.18 -3.30 0.04 0.00 0.01 0.00 0.00 42.46 39.03 1i6h s ILE 1172CO 0.07 -0.14 0.92 0.00 0.00 0.00 0.00 174.94 175.79 1i6h s ALA 1173N 6.38 3.18 -0.70 9.38 0.00 -1.26 -4.09 121.76 134.66 1i6h s ALA 1173Ca 0.87 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 51.65 1i6h s ALA 1173Cb -0.31 -3.70 0.17 0.00 0.00 0.00 0.00 23.12 19.28 1i6h s ALA 1173CO 0.35 -2.31 0.50 0.15 0.00 0.00 0.00 175.76 174.44 1i6h s LYS 1174N 3.84 2.56 -1.05 0.00 1.02 -0.66 -5.04 119.74 120.41 1i6h s LYS 1174Ca 0.30 -3.07 -0.21 0.00 0.02 0.00 0.00 55.97 53.02 1i6h s LYS 1174Cb -0.13 -3.57 0.08 0.00 -0.52 0.00 0.00 37.83 33.70 1i6h s LYS 1174CO 0.20 -1.23 1.41 -0.51 -0.92 0.00 0.00 175.35 174.30 1i6h s LEU 1175N -0.99 4.01 0.00 3.17 1.43 -1.26 -2.78 118.68 122.25 1i6h s LEU 1175Ca 0.23 -1.82 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 1i6h s LEU 1175Cb -0.12 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1i6h s LEU 1175CO -0.10 -1.31 0.00 0.59 0.23 0.00 0.00 176.35 175.75 1i6h n ASN 1176N 8.08 0.00 -1.18 2.29 3.02 -1.26 -4.89 115.26 121.32 1i6h n ASN 1176Ca 0.33 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.96 1i6h n ASN 1176Cb 0.49 0.00 0.28 0.00 -0.61 0.00 0.00 39.78 39.95 1i6h n ASN 1176CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1i6h n HIS 1177N 0.00 1.10 -1.01 3.10 8.25 -1.22 -4.91 115.22 120.52 1i6h n HIS 1177Ca 0.00 -0.65 -0.04 0.00 -0.26 0.00 0.00 57.72 56.77 1i6h n HIS 1177Cb 0.00 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 30.88 1i6h n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1i6h n ASN 1178N 0.57 -1.40 -4.72 0.41 3.02 -1.18 -4.85 115.26 107.12 1i6h n ASN 1178Ca 0.21 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.47 1i6h n ASN 1178Cb 0.77 -1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.36 1i6h n ASN 1178CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1i6h s GLN 1179N -2.15 4.50 0.00 3.52 -0.21 -1.12 -4.96 119.66 119.24 1i6h s GLN 1179Ca 0.00 1.11 0.00 0.00 0.02 0.00 0.00 55.36 56.49 1i6h s GLN 1179Cb 0.00 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.57 1i6h s GLN 1179CO 0.00 0.06 0.00 1.19 -2.12 0.00 0.00 175.29 174.42 1i6h n PHE 1180N 3.65 0.00 -0.06 0.91 0.99 -1.26 -1.65 117.46 120.04 1i6h n PHE 1180Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.47 1i6h n PHE 1180Cb 0.51 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.99 1i6h n PHE 1180CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1i6h n GLU 1181N -0.96 -0.13 0.00 -1.08 1.02 -1.22 -3.61 120.64 114.66 1i6h n GLU 1181Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1i6h n GLU 1181Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 1i6h n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i6h n LYS 1183N -0.12 -0.43 0.00 0.00 -0.00 -1.26 -4.33 118.16 112.01 1i6h n LYS 1183Ca 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1i6h n LYS 1183Cb 0.00 -0.80 0.00 0.00 -0.00 0.00 0.00 35.03 34.23 1i6h n LYS 1183CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i6h n GLY 1184N 0.72 2.74 0.10 2.58 0.00 -1.26 -4.58 105.19 105.49 1i6h n GLY 1184Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1i6h n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i6h n ASP 1186N -2.81 -2.91 -4.41 0.00 8.00 -1.26 -5.03 116.55 108.13 1i6h n ASP 1186Ca -0.30 -0.30 -0.37 0.00 0.71 0.00 0.00 54.79 54.54 1i6h n ASP 1186Cb 1.14 -2.83 -0.13 0.00 -0.02 0.00 0.00 41.12 39.28 1i6h n ASP 1186CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1i6h s ASN 1187N -3.48 5.13 0.00 -2.24 0.01 -1.26 -4.88 114.94 108.23 1i6h s ASN 1187Ca 0.12 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.90 1i6h s ASN 1187Cb -0.05 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.69 1i6h s ASN 1187CO 0.37 -0.09 0.37 0.29 -1.51 0.00 0.00 177.10 176.53 1i6h n LYS 1188N 4.91 -0.16 0.00 -0.60 5.02 -1.26 -2.17 118.16 123.90 1i6h n LYS 1188Ca -0.16 -0.42 0.00 0.00 -2.02 0.00 0.00 58.31 55.72 1i6h n LYS 1188Cb 0.50 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.74 1i6h n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i6h n ILE 1189N -0.05 0.00 -2.77 -0.18 5.41 -1.26 -4.79 119.36 115.72 1i6h n ILE 1189Ca 0.00 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 1i6h n ILE 1189Cb 0.16 -0.48 -0.02 0.00 -0.71 0.00 0.00 39.64 38.59 1i6h n ILE 1189CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1i6h s ASP 1190N -3.99 6.68 -0.02 4.38 2.15 -1.26 -4.92 116.67 119.68 1i6h s ASP 1190Ca 0.00 -2.05 -0.04 0.00 0.43 0.00 0.00 52.55 50.89 1i6h s ASP 1190Cb 0.00 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1i6h s ASP 1190CO 0.00 -1.17 0.10 -0.63 -0.17 0.00 0.00 175.17 173.30 1i6h s ILE 1191N 3.42 0.04 0.21 4.11 1.01 -1.26 -1.59 121.20 127.13 1i6h s ILE 1191Ca 0.41 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.83 1i6h s ILE 1191Cb -0.02 -0.25 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 1i6h s ILE 1191CO -0.06 -0.16 -0.11 -0.31 0.00 0.00 0.00 174.94 174.29 1i6h s TYR 1192N -0.52 1.67 -0.09 3.97 1.51 0.53 -4.88 117.35 119.53 1i6h s TYR 1192Ca -0.06 -0.65 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1i6h s TYR 1192Cb -0.04 -0.83 0.01 0.00 -0.11 0.00 0.00 41.96 40.99 1i6h s TYR 1192CO 0.00 0.28 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.39 1i6h s GLN 1193N -3.69 2.54 0.36 -0.62 0.74 -1.26 0.14 119.66 117.86 1i6h s GLN 1193Ca 0.23 -0.70 0.04 0.00 0.05 0.00 0.00 55.36 54.98 1i6h s GLN 1193Cb 0.01 -1.99 -0.06 0.00 1.10 0.00 0.00 33.01 32.07 1i6h s GLN 1193CO 0.07 0.09 0.06 0.96 -0.55 0.00 0.00 175.29 175.92 1i6h s ILE 1194N 0.56 1.19 -0.23 -2.34 -4.36 0.14 -4.98 121.20 111.18 1i6h s ILE 1194Ca -0.15 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.26 1i6h s ILE 1194Cb -0.17 -2.72 0.05 0.00 1.25 0.00 0.00 42.46 40.87 1i6h s ILE 1194CO 0.05 0.00 -0.13 -1.00 0.24 0.00 0.00 174.94 174.10 1i6h s HIS 1195N -3.20 3.00 0.07 1.37 3.76 -1.26 -2.45 115.29 116.57 1i6h s HIS 1195Ca 0.33 -2.02 -0.08 0.00 -0.15 0.00 0.00 55.06 53.14 1i6h s HIS 1195Cb 0.08 -1.88 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 1i6h s HIS 1195CO 0.15 -0.84 0.16 0.96 -0.85 0.00 0.00 174.74 174.32 1i6h s ILE 1196N 1.20 0.14 0.09 0.60 -4.36 -0.85 -4.98 121.20 113.04 1i6h s ILE 1196Ca -0.04 -1.17 -0.31 0.00 -0.26 0.00 0.00 60.65 58.87 1i6h s ILE 1196Cb -0.17 -1.21 -0.09 0.00 1.25 0.00 0.00 42.46 42.24 1i6h s ILE 1196CO -0.08 -0.65 1.67 -2.16 0.24 0.00 0.00 174.94 173.97 1i6h s PRO 1197N -3.43 4.19 0.27 0.37 0.04 -1.26 -1.96 135.00 133.22 1i6h s PRO 1197Ca 0.02 2.38 -0.03 0.00 0.04 0.00 0.00 61.00 63.41 1i6h s PRO 1197Cb 0.03 -3.54 0.57 0.00 0.04 0.00 0.00 34.50 31.61 1i6h s PRO 1197CO -0.09 -0.74 1.63 -0.92 0.04 0.00 0.00 177.00 176.93 1i6h h TYR 1198N 8.16 0.09 -0.95 0.56 3.20 -1.83 1.33 116.97 127.53 1i6h h TYR 1198Ca -0.43 0.06 0.23 0.00 3.14 0.00 0.00 58.73 61.73 1i6h h TYR 1198Cb 1.20 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 1i6h h TYR 1198CO 0.76 -0.26 0.63 0.00 -1.64 0.00 0.00 178.16 177.66 1i6h h ALA 1199N 1.77 2.30 0.51 1.82 0.00 -1.90 0.47 119.26 124.23 1i6h h ALA 1199Ca 0.49 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 1i6h h ALA 1199Cb 0.92 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1i6h h ALA 1199CO -0.70 -0.62 -0.25 0.00 0.00 0.00 0.00 179.25 177.69 1i6h h ALA 1200N 1.60 -0.69 -1.17 0.00 0.00 0.14 -0.00 119.26 119.13 1i6h h ALA 1200Ca 0.50 -0.17 0.41 0.00 0.00 0.00 0.00 54.91 55.65 1i6h h ALA 1200Cb 1.35 0.27 -0.15 0.00 0.00 0.00 0.00 17.79 19.26 1i6h h ALA 1200CO -0.19 -0.66 0.71 -0.22 0.00 0.00 0.00 179.25 178.90 1i6h h LYS 1201N -1.14 0.11 -0.24 0.00 3.11 0.07 0.64 116.57 119.12 1i6h h LYS 1201Ca -0.07 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.65 1i6h h LYS 1201Cb 0.57 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1i6h h LYS 1201CO 0.12 0.07 -0.29 -0.07 -2.81 0.00 0.00 179.45 176.46 1i6h h LEU 1202N 0.11 0.67 0.20 5.20 3.38 0.19 -1.72 115.31 123.34 1i6h h LEU 1202Ca 0.81 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 58.30 1i6h h LEU 1202Cb 2.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.84 1i6h h LEU 1202CO -0.55 1.03 -0.30 0.25 0.09 0.00 0.00 178.44 178.96 1i6h h LEU 1203N 0.32 -0.84 -0.06 1.67 5.85 0.22 0.38 115.31 122.84 1i6h h LEU 1203Ca 0.03 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1i6h h LEU 1203Cb 0.86 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1i6h h LEU 1203CO 0.07 -0.41 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.29 1i6h h PHE 1204N -0.57 -0.63 -0.74 1.25 0.05 -1.02 0.77 116.94 116.04 1i6h h PHE 1204Ca 0.01 0.02 0.16 0.00 3.82 0.00 0.00 57.97 61.98 1i6h h PHE 1204Cb 0.56 0.28 -0.11 0.00 2.00 0.00 0.00 35.95 38.69 1i6h h PHE 1204CO -0.23 -0.21 0.20 1.96 -0.18 0.00 0.00 178.31 179.85 1i6h h GLN 1205N -0.22 0.28 -0.74 1.51 4.20 -1.16 0.46 115.11 119.45 1i6h h GLN 1205Ca 0.01 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1i6h h GLN 1205Cb 0.26 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 1i6h h GLN 1205CO -0.18 0.19 0.45 0.93 -0.67 0.00 0.00 178.83 179.55 1i6h h GLU 1206N 0.29 0.82 0.41 1.46 5.08 0.70 0.49 114.58 123.83 1i6h h GLU 1206Ca 0.42 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1i6h h GLU 1206Cb 0.71 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1i6h h GLU 1206CO -0.50 0.55 -0.32 -0.07 -1.00 0.00 0.00 179.01 177.67 1i6h h LEU 1207N 0.85 -0.83 -0.86 1.33 3.38 0.51 -1.15 115.31 118.54 1i6h h LEU 1207Ca 0.31 0.06 0.20 0.00 0.09 0.00 0.00 57.88 58.54 1i6h h LEU 1207Cb 0.10 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.00 1i6h h LEU 1207CO -0.14 -0.47 0.35 0.24 0.09 0.00 0.00 178.44 178.51 1i6h h MET 1208N -0.72 0.39 0.00 1.13 2.86 -0.03 1.51 114.93 120.07 1i6h h MET 1208Ca -0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1i6h h MET 1208Cb 0.62 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1i6h h MET 1208CO -0.01 0.26 0.02 0.00 1.06 0.00 0.00 176.91 178.24 1i6h n ALA 1209N -2.53 0.98 -0.82 6.32 0.00 0.16 0.17 120.51 124.81 1i6h n ALA 1209Ca 0.20 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.78 1i6h n ALA 1209Cb 0.59 -1.07 0.25 0.00 0.00 0.00 0.00 19.45 19.21 1i6h n ALA 1209CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1i6h n MET 1210N -1.73 3.01 0.00 0.00 2.00 0.52 -4.95 117.12 115.97 1i6h n MET 1210Ca -0.00 -2.69 0.00 0.00 0.00 0.00 0.00 57.70 55.00 1i6h n MET 1210Cb 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 31.50 1i6h n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1i6h n ASN 1211N -0.22 0.00 -4.78 7.83 2.85 0.45 -5.01 115.26 116.38 1i6h n ASN 1211Ca 0.20 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.31 1i6h n ASN 1211Cb 0.81 -0.16 -0.02 0.00 1.24 0.00 0.00 39.78 41.65 1i6h n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1i6h s ILE 1212N -2.26 3.40 -0.36 -1.44 1.01 -1.06 -4.88 121.20 115.61 1i6h s ILE 1212Ca 0.00 0.99 -0.07 0.00 0.00 0.00 0.00 60.65 61.57 1i6h s ILE 1212Cb 0.00 -3.47 0.05 0.00 0.01 0.00 0.00 42.46 39.05 1i6h s ILE 1212CO 0.00 -0.07 0.13 0.42 0.00 0.00 0.00 174.94 175.42 1i6h s THR 1213N -1.69 3.80 -1.21 2.92 -4.23 -1.26 -2.56 115.64 111.41 1i6h s THR 1213Ca 0.64 -1.25 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1i6h s THR 1213Cb -0.24 -3.22 0.19 0.00 1.34 0.00 0.00 72.50 70.58 1i6h s THR 1213CO 0.29 -0.27 1.50 -0.81 -0.54 0.00 0.00 174.62 174.79 1i6h n PRO 1214N 4.81 3.51 -2.31 3.99 -0.04 -1.26 -5.00 135.00 138.69 1i6h n PRO 1214Ca -0.11 -3.89 -0.43 0.00 -0.04 0.00 0.00 63.50 59.02 1i6h n PRO 1214Cb 0.44 -2.93 -0.02 0.00 -0.04 0.00 0.00 33.50 30.95 1i6h n PRO 1214CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1i6h s ARG 1215N 0.71 3.69 -0.21 0.54 1.81 -1.26 -4.56 118.95 119.68 1i6h s ARG 1215Ca 0.40 1.18 -0.10 0.00 -1.72 0.00 0.00 55.73 55.49 1i6h s ARG 1215Cb -0.01 -4.00 -0.05 0.00 -0.45 0.00 0.00 34.95 30.45 1i6h s ARG 1215CO -0.00 -1.41 0.13 -0.51 -0.68 0.00 0.00 175.30 172.82 1i6h s LEU 1216N 5.19 4.12 0.04 2.53 1.43 0.05 -4.80 118.68 127.24 1i6h s LEU 1216Ca 0.63 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1i6h s LEU 1216Cb -0.17 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1i6h s LEU 1216CO 0.29 0.15 -0.22 -0.31 0.23 0.00 0.00 176.35 176.49 1i6h s TYR 1217N 0.54 1.94 -0.62 0.29 1.51 -1.26 -3.96 117.35 115.79 1i6h s TYR 1217Ca 0.07 -0.38 0.10 0.00 -1.01 0.00 0.00 57.07 55.85 1i6h s TYR 1217Cb -0.12 -1.16 0.56 0.00 -0.11 0.00 0.00 41.96 41.14 1i6h s TYR 1217CO -0.00 0.10 1.37 0.25 -1.11 0.00 0.00 175.55 176.16 1i6h n THR 1218N 1.83 1.82 -3.57 -0.71 -2.24 -1.26 -4.82 114.28 105.34 1i6h n THR 1218Ca -0.17 -0.95 -0.22 0.00 -2.27 0.00 0.00 64.05 60.44 1i6h n THR 1218Cb 0.53 -0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.32 1i6h n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1i6h s ASP 1219N -0.58 1.83 0.64 3.42 1.47 -1.26 -4.98 116.67 117.20 1i6h s ASP 1219Ca 0.38 -0.39 0.37 0.00 1.18 0.00 0.00 52.55 54.09 1i6h s ASP 1219Cb 0.28 0.05 2.08 0.00 -0.34 0.00 0.00 42.92 44.99 1i6h s ASP 1219CO 0.12 -0.33 2.24 0.03 0.68 0.00 0.00 175.17 177.91 1i6h h ARG 1220N 8.37 0.00 -5.18 2.11 3.08 -2.07 -3.33 114.38 117.37 1i6h h ARG 1220Ca -0.16 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.36 1i6h h ARG 1220Cb 1.15 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 1i6h h ARG 1220CO 0.28 0.00 1.85 -1.13 -1.07 0.00 0.00 179.97 179.89 1i6h n SER 1221N -3.32 3.49 -4.40 7.04 3.41 -1.26 -4.94 113.62 113.62 1i6h n SER 1221Ca -0.02 -2.76 -0.36 0.00 -0.26 0.00 0.00 58.87 55.46 1i6h n SER 1221Cb 0.16 -1.59 0.06 0.00 -0.26 0.00 0.00 64.21 62.58 1i6h n SER 1221CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1i6h n ARG 1222N 7.78 0.20 0.07 4.33 0.63 -1.25 -4.78 116.66 123.64 1i6h n ARG 1222Ca 0.48 0.10 0.04 0.00 -0.92 0.00 0.00 57.85 57.55 1i6h n ARG 1222Cb 0.44 -1.69 0.20 0.00 0.45 0.00 0.00 32.46 31.87 1i6h n ARG 1222CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1i6h n ASP 1223N 0.20 0.19 0.00 6.15 8.00 -1.26 -5.21 116.55 124.62 1i6h n ASP 1223Ca 0.09 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1i6h n ASP 1223Cb 0.50 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1i6h n ASP 1223CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30