#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1y n LEU 1 N 0.00 -3.65 -4.66 2.46 7.94 -1.26 -4.93 117.00 112.90 3m1y n LEU 1 Ca 0.00 0.97 -0.41 0.00 -1.11 0.00 0.00 56.01 55.46 3m1y n LEU 1 Cb 0.00 -1.86 -0.04 0.00 0.53 0.00 0.00 43.42 42.05 3m1y n LEU 1 CO 0.00 -1.33 0.60 -1.58 -1.11 0.00 0.00 177.39 173.97 3m1y s GLN 2 N -1.17 4.27 0.26 1.96 2.00 -1.26 -4.78 119.66 120.94 3m1y s GLN 2 Ca -0.06 0.97 0.11 0.00 -2.00 0.00 0.00 55.36 54.38 3m1y s GLN 2 Cb 0.00 -3.59 -0.05 0.00 0.80 0.00 0.00 33.01 30.18 3m1y s GLN 2 CO 0.16 -0.35 -0.15 0.15 -0.50 0.00 0.00 175.29 174.60 3m1y s LYS 3 N 2.24 1.84 -0.09 1.67 1.02 0.03 -4.88 119.74 121.57 3m1y s LYS 3 Ca 0.37 -1.64 0.04 0.00 0.02 0.00 0.00 55.97 54.76 3m1y s LYS 3 Cb -0.16 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 3m1y s LYS 3 CO 0.11 0.35 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.51 3m1y s LEU 4 N -3.45 1.99 -0.09 3.17 2.96 -0.25 0.51 118.68 123.52 3m1y s LEU 4 Ca 0.29 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3m1y s LEU 4 Cb -0.06 -1.29 0.01 0.00 0.50 0.00 0.00 46.19 45.35 3m1y s LEU 4 CO 0.16 0.13 -0.19 0.00 -1.32 0.00 0.00 176.35 175.13 3m1y s ALA 5 N 0.43 1.81 -0.08 5.97 0.00 0.10 0.36 121.76 130.34 3m1y s ALA 5 Ca -0.18 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3m1y s ALA 5 Cb -0.17 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3m1y s ALA 5 CO 0.08 0.19 -0.17 0.08 0.00 0.00 0.00 175.76 175.94 3m1y s VAL 6 N 0.52 1.48 -0.02 0.00 1.01 -0.44 -0.35 120.40 122.61 3m1y s VAL 6 Ca -0.16 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3m1y s VAL 6 Cb -0.17 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3m1y s VAL 6 CO 0.06 0.43 -0.10 -0.36 0.00 0.00 0.00 175.10 175.13 3m1y s PHE 7 N 0.54 2.81 0.76 5.22 0.08 0.43 -1.76 117.98 126.05 3m1y s PHE 7 Ca -0.16 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 3m1y s PHE 7 Cb -0.17 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.72 3m1y s PHE 7 CO 0.06 0.31 1.13 0.34 -0.10 0.00 0.00 175.22 176.95 3m1y s ASP 8 N -1.14 4.97 -0.06 1.36 2.15 -0.20 -0.63 116.67 123.13 3m1y s ASP 8 Ca 0.14 1.02 -0.06 0.00 0.43 0.00 0.00 52.55 54.08 3m1y s ASP 8 Cb -0.11 -1.69 -0.02 0.00 -0.30 0.00 0.00 42.92 40.80 3m1y s ASP 8 CO 0.04 -1.63 -0.12 0.33 -0.17 0.00 0.00 175.17 173.63 3m1y n PHE 9 N -3.18 0.00 -1.91 -5.34 7.35 -1.02 -3.84 117.46 109.53 3m1y n PHE 9 Ca 0.07 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.34 3m1y n PHE 9 Cb 0.58 -0.17 -0.03 0.00 0.35 0.00 0.00 39.48 40.22 3m1y n PHE 9 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3m1y s ASP 10 N -4.72 6.57 -1.83 -2.13 1.01 -1.26 -1.28 116.67 113.04 3m1y s ASP 10 Ca -0.10 2.57 0.00 0.00 0.71 0.00 0.00 52.55 55.74 3m1y s ASP 10 Cb 0.01 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.37 3m1y s ASP 10 CO 0.14 -0.87 0.00 -1.20 0.21 0.00 0.00 175.17 173.45 3m1y n SER 11 N 4.91 -5.10 0.06 0.27 7.64 0.40 -4.76 113.62 117.04 3m1y n SER 11 Ca 0.15 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.43 3m1y n SER 11 Cb 0.39 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 3m1y n SER 11 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3m1y n THR 12 N -2.59 0.49 -0.00 0.44 -1.04 -0.88 -4.70 114.28 105.99 3m1y n THR 12 Ca -0.18 0.16 -0.22 0.00 -2.04 0.00 0.00 64.05 61.78 3m1y n THR 12 Cb 0.58 -0.95 -0.14 0.00 -1.82 0.00 0.00 70.33 68.00 3m1y n THR 12 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3m1y h LEU 13 N 0.00 0.37 -9.17 -4.42 3.38 -1.29 -3.45 115.31 100.73 3m1y h LEU 13 Ca 0.00 -0.85 -0.67 0.00 0.09 0.00 0.00 57.88 56.45 3m1y h LEU 13 Cb 0.00 -0.12 -0.17 0.00 0.09 0.00 0.00 40.66 40.46 3m1y h LEU 13 CO 0.00 1.69 -0.64 0.68 0.09 0.00 0.00 178.44 180.26 3m1y s VAL 14 N -2.50 4.12 -1.44 1.22 -7.23 -1.05 -1.52 120.40 112.00 3m1y s VAL 14 Ca -0.21 -0.31 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 3m1y s VAL 14 Cb 0.05 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 34.30 3m1y s VAL 14 CO 0.75 0.58 2.50 -3.20 -0.31 0.00 0.00 175.10 175.43 3m1y n ASN 15 N 2.41 7.44 -3.64 4.85 5.15 0.72 -0.45 115.26 131.74 3m1y n ASN 15 Ca -0.18 -2.90 -0.04 0.00 -0.60 0.00 0.00 54.58 50.86 3m1y n ASN 15 Cb 0.53 -1.48 -0.01 0.00 -0.53 0.00 0.00 39.78 38.29 3m1y n ASN 15 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m1y s ALA 16 N 0.71 -1.87 -0.26 5.20 0.00 -1.26 -4.74 121.76 119.54 3m1y s ALA 16 Ca 0.57 0.68 0.01 0.00 0.00 0.00 0.00 51.96 53.21 3m1y s ALA 16 Cb 0.17 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.76 3m1y s ALA 16 CO -0.07 -0.89 -0.09 -2.00 0.00 0.00 0.00 175.76 172.72 3m1y s GLU 17 N -2.96 2.50 0.21 0.00 2.56 -1.26 -2.06 118.70 117.70 3m1y s GLU 17 Ca 0.10 -1.19 -0.14 0.00 0.00 0.00 0.00 54.97 53.75 3m1y s GLU 17 Cb 0.00 -2.94 0.25 0.00 2.00 0.00 0.00 34.13 33.44 3m1y s GLU 17 CO -0.03 -0.50 1.62 1.15 -0.56 0.00 0.00 175.26 176.93 3m1y h THR 18 N 6.46 0.31 -0.24 -1.70 2.02 -1.98 -0.79 112.91 117.00 3m1y h THR 18 Ca -0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3m1y h THR 18 Cb 1.07 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3m1y h THR 18 CO 0.52 0.00 0.12 -0.29 0.37 0.00 0.00 175.52 176.24 3m1y h ILE 19 N -0.02 1.08 -0.00 3.11 6.09 -1.99 -1.75 117.51 124.04 3m1y h ILE 19 Ca 0.31 -0.23 -0.01 0.00 -1.37 0.00 0.00 64.86 63.56 3m1y h ILE 19 Cb 0.50 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.57 3m1y h ILE 19 CO -0.69 0.09 -0.02 -0.33 -3.07 0.00 0.00 178.15 174.14 3m1y h GLU 20 N 0.33 0.02 -0.18 2.19 5.08 -1.60 -0.82 114.58 119.59 3m1y h GLU 20 Ca 0.08 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3m1y h GLU 20 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3m1y h GLU 20 CO -0.01 0.74 0.18 0.77 -1.00 0.00 0.00 179.01 179.69 3m1y h SER 21 N -0.70 0.00 0.02 1.42 0.02 -1.17 0.19 113.55 113.32 3m1y h SER 21 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3m1y h SER 21 Cb 0.75 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.30 3m1y h SER 21 CO 0.00 0.00 -0.60 0.25 -1.14 0.00 0.00 176.83 175.35 3m1y h LEU 22 N 0.00 0.49 -0.06 5.07 5.85 -1.26 -3.02 115.31 122.38 3m1y h LEU 22 Ca 0.08 -0.79 0.02 0.00 0.84 0.00 0.00 57.88 58.03 3m1y h LEU 22 Cb 0.44 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3m1y h LEU 22 CO -0.00 1.22 -0.05 0.00 -0.34 0.00 0.00 178.44 179.27 3m1y h ALA 23 N 0.28 0.00 0.00 1.25 0.00 0.84 -2.42 119.26 119.20 3m1y h ALA 23 Ca -0.08 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m1y h ALA 23 Cb 1.33 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3m1y h ALA 23 CO 0.12 -0.53 0.00 0.07 0.00 0.00 0.00 179.25 178.91 3m1y h ARG 24 N -0.06 0.00 0.00 0.00 0.11 -1.38 0.17 114.38 113.22 3m1y h ARG 24 Ca 0.04 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.08 3m1y h ARG 24 Cb 0.13 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.20 3m1y h ARG 24 CO -0.10 0.00 -0.20 0.00 0.10 0.00 0.00 179.97 179.77 3m1y h ALA 25 N 2.32 0.89 -0.02 0.08 0.00 -1.31 -3.00 119.26 118.23 3m1y h ALA 25 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3m1y h ALA 25 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3m1y h ALA 25 CO 0.00 0.25 -0.25 1.87 0.00 0.00 0.00 179.25 181.12 3m1y n TRP 26 N -3.18 0.00 -1.60 0.00 -0.00 -0.86 -5.00 117.44 106.80 3m1y n TRP 26 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.49 3m1y n TRP 26 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.87 3m1y n TRP 26 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3m1y n GLY 27 N 1.15 0.42 0.16 5.87 0.00 0.01 -4.94 105.19 107.86 3m1y n GLY 27 Ca 0.08 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.34 3m1y n GLY 27 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3m1y n VAL 28 N -3.48 1.60 -0.20 1.61 0.24 0.39 -4.82 118.33 113.66 3m1y n VAL 28 Ca -0.03 -1.94 -0.03 0.00 -2.04 0.00 0.00 64.34 60.29 3m1y n VAL 28 Cb 0.33 -0.12 0.07 0.00 -1.47 0.00 0.00 33.84 32.65 3m1y n VAL 28 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 3m1y h PHE 29 N 0.04 0.58 -0.05 6.34 3.57 -1.87 -1.66 116.94 123.89 3m1y h PHE 29 Ca -0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3m1y h PHE 29 Cb 1.07 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.63 3m1y h PHE 29 CO 0.04 0.29 0.06 -0.44 -2.23 0.00 0.00 178.31 176.03 3m1y h ASP 30 N 0.60 0.00 0.02 0.41 3.32 -1.92 0.30 116.42 119.15 3m1y h ASP 30 Ca 0.26 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 3m1y h ASP 30 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3m1y h ASP 30 CO -0.16 0.00 -0.78 -0.33 -1.72 0.00 0.00 179.24 176.25 3m1y h GLU 31 N 0.00 0.05 -0.97 3.56 5.08 -1.80 -3.35 114.58 117.15 3m1y h GLU 31 Ca 0.02 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3m1y h GLU 31 Cb 0.14 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 3m1y h GLU 31 CO -0.00 1.04 0.63 0.28 -1.00 0.00 0.00 179.01 179.97 3m1y h VAL 32 N -0.86 1.15 -0.98 3.13 2.07 -0.86 -2.01 116.25 117.89 3m1y h VAL 32 Ca -0.20 -0.41 0.19 0.00 0.82 0.00 0.00 66.70 67.10 3m1y h VAL 32 Cb 1.27 -0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 3m1y h VAL 32 CO -0.07 0.22 0.61 0.50 0.02 0.00 0.00 177.57 178.85 3m1y h LYS 33 N 1.21 0.66 0.00 1.57 3.64 -0.57 -1.78 116.57 121.29 3m1y h LYS 33 Ca 0.40 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3m1y h LYS 33 Cb 0.04 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3m1y h LYS 33 CO -0.14 0.44 -0.34 2.41 -2.27 0.00 0.00 179.45 179.55 3m1y n THR 34 N -4.67 0.26 -2.46 1.00 -1.04 -0.77 -4.73 114.28 101.87 3m1y n THR 34 Ca 0.22 -0.16 -0.38 0.00 -2.04 0.00 0.00 64.05 61.68 3m1y n THR 34 Cb 0.59 -0.22 -0.03 0.00 -1.82 0.00 0.00 70.33 68.85 3m1y n THR 34 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3m1y s ILE 35 N -3.08 3.84 -0.37 12.58 1.01 -0.67 -4.82 121.20 129.68 3m1y s ILE 35 Ca 0.10 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3m1y s ILE 35 Cb 0.15 -4.87 0.15 0.00 0.01 0.00 0.00 42.46 37.91 3m1y s ILE 35 CO 0.65 -1.75 0.30 0.28 0.00 0.00 0.00 174.94 174.42 3m1y s THR 36 N 5.94 0.00 0.54 2.92 -1.32 -1.26 -4.87 115.64 117.59 3m1y s THR 36 Ca 0.51 -1.66 -0.17 0.00 -1.21 0.00 0.00 61.69 59.16 3m1y s THR 36 Cb -0.01 -0.97 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 3m1y s THR 36 CO -0.08 -0.89 1.02 -0.76 -2.21 0.00 0.00 174.62 171.70 3m1y s LEU 37 N 0.97 3.60 0.00 9.08 1.43 -1.26 -4.99 118.68 127.51 3m1y s LEU 37 Ca 0.21 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 3m1y s LEU 37 Cb -0.15 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.55 3m1y s LEU 37 CO -0.04 -0.82 0.00 0.29 0.23 0.00 0.00 176.35 176.01 3m1y n LYS 38 N -1.70 0.00 -1.32 1.70 5.02 -1.26 -1.56 118.16 119.05 3m1y n LYS 38 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 3m1y n LYS 38 Cb 0.53 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.49 3m1y n LYS 38 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3m1y n GLU 43 N 0.00 -1.30 0.00 1.97 0.00 -1.26 -4.42 120.64 115.63 3m1y n GLU 43 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 57.16 57.86 3m1y n GLU 43 Cb 0.00 -4.89 0.00 0.00 0.00 0.00 0.00 31.44 26.55 3m1y n GLU 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3m1y n THR 44 N -1.77 0.00 -3.02 3.84 -1.04 -1.26 -4.90 114.28 106.13 3m1y n THR 44 Ca -0.12 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.45 3m1y n THR 44 Cb 0.39 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.87 3m1y n THR 44 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m1y s ASP 45 N 0.00 6.53 0.20 8.00 3.68 -0.60 -4.93 116.67 129.55 3m1y s ASP 45 Ca 0.00 -1.95 -0.10 0.00 2.13 0.00 0.00 52.55 52.63 3m1y s ASP 45 Cb 0.00 -2.35 0.14 0.00 -1.45 0.00 0.00 42.92 39.26 3m1y s ASP 45 CO 0.00 -1.03 1.82 0.15 0.13 0.00 0.00 175.17 176.25 3m1y h PHE 46 N 8.78 1.01 0.22 -5.34 3.57 -1.90 -2.82 116.94 120.47 3m1y h PHE 46 Ca 0.03 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3m1y h PHE 46 Cb 1.04 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3m1y h PHE 46 CO 1.07 0.71 -0.11 1.25 -2.23 0.00 0.00 178.31 179.00 3m1y h HIS 47 N 1.02 -0.28 -0.25 0.41 2.76 -1.92 -1.76 115.15 115.14 3m1y h HIS 47 Ca 0.26 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.36 3m1y h HIS 47 Cb 0.03 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 3m1y h HIS 47 CO -0.00 -0.16 -0.08 0.87 -1.30 0.00 0.00 177.93 177.26 3m1y h LYS 48 N -0.32 0.50 -0.32 5.26 1.79 -1.98 -2.31 116.57 119.19 3m1y h LYS 48 Ca -0.03 -0.20 0.07 0.00 -2.18 0.00 0.00 60.65 58.31 3m1y h LYS 48 Cb 0.24 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.80 3m1y h LYS 48 CO 0.05 0.73 -0.16 0.77 -1.08 0.00 0.00 179.45 179.76 3m1y h SER 49 N 0.23 -0.54 0.11 0.86 0.02 -1.48 -0.92 113.55 111.83 3m1y h SER 49 Ca 0.06 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3m1y h SER 49 Cb 0.56 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3m1y h SER 49 CO 0.03 -0.20 -0.10 0.25 -1.14 0.00 0.00 176.83 175.67 3m1y h LEU 50 N -0.12 -0.26 -1.60 5.07 5.85 -1.27 -2.07 115.31 120.92 3m1y h LEU 50 Ca 0.16 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3m1y h LEU 50 Cb 0.36 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3m1y h LEU 50 CO -0.39 -0.16 -0.22 0.16 -0.34 0.00 0.00 178.44 177.49 3m1y h ILE 51 N -0.23 1.00 -0.10 4.05 3.07 -1.11 -1.65 117.51 122.53 3m1y h ILE 51 Ca 0.00 -0.79 -0.19 0.00 1.55 0.00 0.00 64.86 65.43 3m1y h ILE 51 Cb 0.21 1.45 0.01 0.00 -0.27 0.00 0.00 36.82 38.22 3m1y h ILE 51 CO -0.02 0.22 -0.68 -0.07 -1.05 0.00 0.00 178.15 176.54 3m1y h LEU 52 N 0.00 0.77 -0.58 0.16 3.38 -0.98 -2.65 115.31 115.41 3m1y h LEU 52 Ca -0.00 -0.66 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 3m1y h LEU 52 Cb 0.43 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3m1y h LEU 52 CO 0.03 1.31 0.17 0.03 0.09 0.00 0.00 178.44 180.07 3m1y h ARG 53 N 0.28 0.90 -0.76 1.13 3.08 -1.14 -2.77 114.38 115.10 3m1y h ARG 53 Ca -0.06 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.78 3m1y h ARG 53 Cb 1.33 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 3m1y h ARG 53 CO 0.14 0.82 0.41 0.28 -1.07 0.00 0.00 179.97 180.55 3m1y h VAL 54 N 0.82 1.23 0.00 2.04 2.07 -1.31 -1.73 116.25 119.36 3m1y h VAL 54 Ca 0.18 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3m1y h VAL 54 Cb 0.30 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3m1y h VAL 54 CO -0.00 0.25 -0.07 0.77 0.02 0.00 0.00 177.57 178.54 3m1y h SER 55 N 1.06 0.00 0.18 0.57 4.64 -1.18 0.30 113.55 119.13 3m1y h SER 55 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3m1y h SER 55 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3m1y h SER 55 CO -0.04 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3m1y n LYS 56 N -4.37 0.06 -0.31 4.77 4.76 -0.65 -1.47 118.16 120.95 3m1y n LYS 56 Ca -0.03 0.48 0.11 0.00 -2.87 0.00 0.00 58.31 56.01 3m1y n LYS 56 Cb 0.15 -1.68 0.29 0.00 -1.84 0.00 0.00 35.03 31.95 3m1y n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3m1y n LEU 57 N -1.81 3.57 -4.67 -0.35 4.32 0.10 -4.96 117.00 113.21 3m1y n LEU 57 Ca 0.00 -1.73 -0.46 0.00 -0.02 0.00 0.00 56.01 53.80 3m1y n LEU 57 Cb 0.07 -0.41 -0.04 0.00 -1.62 0.00 0.00 43.42 41.42 3m1y n LEU 57 CO 0.08 0.87 1.17 1.17 -1.22 0.00 0.00 177.39 179.46 3m1y n LYS 58 N 1.47 2.10 -0.87 3.23 4.81 -0.54 -4.55 118.16 123.81 3m1y n LYS 58 Ca 0.22 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 3m1y n LYS 58 Cb 0.58 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.11 3m1y n LYS 58 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3m1y n ASN 59 N 3.34 -1.52 -4.45 3.14 3.02 0.21 -4.93 115.26 114.07 3m1y n ASN 59 Ca 0.17 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 3m1y n ASN 59 Cb 0.28 -0.76 -0.13 0.00 -0.61 0.00 0.00 39.78 38.56 3m1y n ASN 59 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3m1y s PRO 61 N -1.46 2.10 0.21 3.52 0.04 -1.26 -4.55 135.00 133.60 3m1y s PRO 61 Ca 0.00 -0.96 -0.09 0.00 0.04 0.00 0.00 61.00 60.00 3m1y s PRO 61 Cb 0.00 -2.19 0.15 0.00 0.04 0.00 0.00 34.50 32.50 3m1y s PRO 61 CO 0.00 0.55 1.80 1.25 0.04 0.00 0.00 177.00 180.64 3m1y h LEU 62 N 4.66 1.01 -1.01 -3.56 5.85 -1.64 -2.15 115.31 118.47 3m1y h LEU 62 Ca -0.47 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.18 3m1y h LEU 62 Cb 1.15 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 3m1y h LEU 62 CO 0.48 0.86 0.65 0.50 -0.34 0.00 0.00 178.44 180.59 3m1y h LYS 63 N 1.09 1.15 0.33 1.25 3.64 -1.99 0.23 116.57 122.27 3m1y h LYS 63 Ca 0.27 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3m1y h LYS 63 Cb 0.11 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3m1y h LYS 63 CO -0.03 0.76 -0.16 1.25 -2.27 0.00 0.00 179.45 179.00 3m1y h LEU 64 N 1.18 -0.37 -0.66 5.20 5.85 -1.88 -1.38 115.31 123.25 3m1y h LEU 64 Ca 0.43 -0.17 0.11 0.00 0.84 0.00 0.00 57.88 59.09 3m1y h LEU 64 Cb 0.16 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 3m1y h LEU 64 CO -0.17 0.01 0.26 0.00 -0.34 0.00 0.00 178.44 178.20 3m1y h ALA 65 N -0.33 0.88 -0.89 1.25 0.00 -1.04 0.29 119.26 119.42 3m1y h ALA 65 Ca -0.04 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3m1y h ALA 65 Cb 0.52 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3m1y h ALA 65 CO 0.07 -0.18 0.48 -0.22 0.00 0.00 0.00 179.25 179.41 3m1y h LYS 66 N 0.44 1.25 -0.31 0.00 3.64 -0.57 0.74 116.57 121.75 3m1y h LYS 66 Ca 0.34 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3m1y h LYS 66 Cb 0.45 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3m1y h LYS 66 CO -0.33 0.92 0.10 1.49 -2.27 0.00 0.00 179.45 179.35 3m1y h GLU 67 N 1.25 0.49 -0.25 1.90 4.57 -0.02 -0.33 114.58 122.18 3m1y h GLU 67 Ca 0.31 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.36 3m1y h GLU 67 Cb 0.04 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3m1y h GLU 67 CO -0.05 0.53 0.06 0.28 -1.18 0.00 0.00 179.01 178.66 3m1y h VAL 68 N 0.35 1.21 -0.31 0.32 2.07 -0.72 -2.80 116.25 116.36 3m1y h VAL 68 Ca 0.10 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 3m1y h VAL 68 Cb 0.25 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3m1y h VAL 68 CO -0.00 0.22 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 3m1y n GLU 70 N -4.26 1.58 -0.08 0.00 1.02 -0.15 -3.97 120.64 114.79 3m1y n GLU 70 Ca 0.01 -0.87 0.04 0.00 -0.02 0.00 0.00 57.16 56.32 3m1y n GLU 70 Cb 0.27 -1.35 0.08 0.00 -0.02 0.00 0.00 31.44 30.41 3m1y n GLU 70 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3m1y n SER 71 N 0.11 2.36 -4.77 1.62 7.64 -0.97 -5.05 113.62 114.56 3m1y n SER 71 Ca 0.15 -2.39 -0.39 0.00 1.01 0.00 0.00 58.87 57.25 3m1y n SER 71 Cb 0.27 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3m1y n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3m1y s LEU 72 N -1.68 4.16 0.01 -3.43 1.43 -1.23 -4.96 118.68 112.98 3m1y s LEU 72 Ca 0.15 2.70 -0.30 0.00 -1.03 0.00 0.00 54.13 55.65 3m1y s LEU 72 Cb 0.12 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 3m1y s LEU 72 CO 0.04 -0.96 0.99 -2.16 0.23 0.00 0.00 176.35 174.48 3m1y s PRO 73 N -2.35 4.57 0.52 1.29 0.04 -1.26 -4.97 135.00 132.85 3m1y s PRO 73 Ca 0.59 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 3m1y s PRO 73 Cb -0.39 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 30.65 3m1y s PRO 73 CO 0.50 -0.04 0.90 -0.51 0.04 0.00 0.00 177.00 177.89 3m1y s LEU 74 N 0.93 3.52 0.54 -3.56 1.43 -1.26 -0.20 118.68 120.07 3m1y s LEU 74 Ca 0.52 1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 54.77 3m1y s LEU 74 Cb -0.22 -4.22 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 3m1y s LEU 74 CO 0.28 -0.66 0.92 -0.36 0.23 0.00 0.00 176.35 176.77 3m1y s PHE 75 N -2.82 3.57 0.52 0.29 0.08 -0.58 -4.62 117.98 114.42 3m1y s PHE 75 Ca 0.53 1.14 -0.20 0.00 0.12 0.00 0.00 56.93 58.52 3m1y s PHE 75 Cb -0.10 -2.57 -0.07 0.00 -0.57 0.00 0.00 43.02 39.71 3m1y s PHE 75 CO 0.44 -0.46 1.10 -1.21 -0.10 0.00 0.00 175.22 174.98 3m1y s GLU 76 N -4.76 3.53 0.00 0.44 2.02 -1.26 -3.18 118.70 115.49 3m1y s GLU 76 Ca 0.53 1.52 0.00 0.00 0.02 0.00 0.00 54.97 57.04 3m1y s GLU 76 Cb -0.11 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.08 3m1y s GLU 76 CO 0.46 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.46 3m1y n GLY 77 N 0.01 1.55 0.00 -1.39 0.00 -1.26 0.24 105.19 104.34 3m1y n GLY 77 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3m1y n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1y n ALA 78 N -0.01 -0.16 -0.17 4.61 0.00 -1.19 0.33 120.51 123.92 3m1y n ALA 78 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3m1y n ALA 78 Cb 0.00 0.33 0.08 0.00 0.00 0.00 0.00 19.45 19.85 3m1y n ALA 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3m1y h LEU 79 N 0.00 0.09 -0.76 0.00 5.85 -1.92 -1.90 115.31 116.66 3m1y h LEU 79 Ca 0.00 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.88 3m1y h LEU 79 Cb 0.00 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 3m1y h LEU 79 CO 0.00 0.07 0.43 -0.08 -0.34 0.00 0.00 178.44 178.52 3m1y h GLU 80 N 0.30 0.72 0.00 1.25 4.81 -1.89 0.32 114.58 120.10 3m1y h GLU 80 Ca 0.26 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3m1y h GLU 80 Cb 0.34 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3m1y h GLU 80 CO -0.31 0.48 -0.00 1.25 -0.73 0.00 0.00 179.01 179.70 3m1y h LEU 81 N 0.75 -0.00 -0.53 1.64 6.46 0.49 -1.84 115.31 122.27 3m1y h LEU 81 Ca 0.36 -0.31 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 3m1y h LEU 81 Cb 0.29 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 3m1y h LEU 81 CO -0.22 0.31 0.35 0.58 -0.62 0.00 0.00 178.44 178.84 3m1y h VAL 82 N -0.32 1.13 -0.68 1.05 2.07 -0.98 -0.55 116.25 117.97 3m1y h VAL 82 Ca -0.00 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 3m1y h VAL 82 Cb 0.32 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3m1y h VAL 82 CO 0.00 0.13 0.21 0.28 0.02 0.00 0.00 177.57 178.21 3m1y h SER 83 N 0.71 0.98 -0.26 0.57 0.02 -0.95 -1.03 113.55 113.58 3m1y h SER 83 Ca 0.19 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3m1y h SER 83 Cb -0.07 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3m1y h SER 83 CO -0.05 0.91 -0.00 0.00 -1.14 0.00 0.00 176.83 176.55 3m1y h ALA 84 N 1.22 1.30 -0.18 3.77 0.00 -0.83 -1.14 119.26 123.41 3m1y h ALA 84 Ca 0.22 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3m1y h ALA 84 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3m1y h ALA 84 CO -0.01 0.47 -0.37 -0.07 0.00 0.00 0.00 179.25 179.27 3m1y h LEU 85 N 0.56 0.63 -1.08 0.00 3.38 -0.55 -3.20 115.31 115.06 3m1y h LEU 85 Ca 0.12 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 3m1y h LEU 85 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3m1y h LEU 85 CO 0.01 1.08 -0.16 0.11 0.09 0.00 0.00 178.44 179.57 3m1y h LYS 86 N 0.22 0.47 0.00 1.13 1.57 -0.96 -1.77 116.57 117.23 3m1y h LYS 86 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3m1y h LYS 86 Cb 0.98 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3m1y h LYS 86 CO 0.08 0.62 0.00 0.39 -0.57 0.00 0.00 179.45 179.97 3m1y n GLU 87 N -4.19 0.36 -0.64 3.15 1.02 -0.45 -2.10 120.64 117.79 3m1y n GLU 87 Ca 0.00 0.08 0.02 0.00 -0.02 0.00 0.00 57.16 57.25 3m1y n GLU 87 Cb 0.34 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.46 3m1y n GLU 87 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3m1y n LYS 88 N -1.20 1.72 -3.53 3.49 5.02 -0.70 -4.96 118.16 118.00 3m1y n LYS 88 Ca 0.10 -3.19 -0.22 0.00 -2.02 0.00 0.00 58.31 52.98 3m1y n LYS 88 Cb 0.12 -1.70 0.08 0.00 -0.02 0.00 0.00 35.03 33.51 3m1y n LYS 88 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3m1y n ASN 89 N -1.12 -5.90 -4.77 4.39 4.05 -0.89 -4.80 115.26 106.22 3m1y n ASN 89 Ca 0.25 -0.52 -0.36 0.00 0.45 0.00 0.00 54.58 54.40 3m1y n ASN 89 Cb 0.83 -4.81 -0.08 0.00 1.23 0.00 0.00 39.78 36.95 3m1y n ASN 89 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3m1y s TYR 90 N -3.31 3.38 -0.18 1.20 2.02 -1.00 -0.79 117.35 118.67 3m1y s TYR 90 Ca 0.52 0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 57.36 3m1y s TYR 90 Cb -0.23 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 3m1y s TYR 90 CO 0.69 0.54 0.57 0.21 -1.57 0.00 0.00 175.55 175.99 3m1y s LYS 91 N -0.72 4.23 -0.25 -0.62 2.47 0.18 -4.38 119.74 120.65 3m1y s LYS 91 Ca 0.12 0.53 -0.07 0.00 -1.56 0.00 0.00 55.97 54.99 3m1y s LYS 91 Cb -0.12 -3.55 -0.02 0.00 -1.46 0.00 0.00 37.83 32.68 3m1y s LYS 91 CO 0.03 -0.15 0.05 0.08 0.16 0.00 0.00 175.35 175.52 3m1y s VAL 92 N 1.61 4.09 0.19 4.02 1.01 -1.26 -0.72 120.40 129.34 3m1y s VAL 92 Ca 0.27 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.02 3m1y s VAL 92 Cb -0.16 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3m1y s VAL 92 CO 0.10 0.31 -0.17 -0.69 0.00 0.00 0.00 175.10 174.65 3m1y s VAL 93 N 1.57 1.86 -0.07 2.92 1.01 0.52 -0.32 120.40 127.89 3m1y s VAL 93 Ca 0.06 -2.09 0.03 0.00 0.00 0.00 0.00 61.98 59.98 3m1y s VAL 93 Cb -0.15 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3m1y s VAL 93 CO 0.02 -0.43 -0.15 0.00 0.00 0.00 0.00 175.10 174.54 3m1y s PHE 95 N 0.56 2.96 -0.12 0.00 0.40 0.20 -0.62 117.98 121.36 3m1y s PHE 95 Ca -0.15 -0.18 -0.06 0.00 -0.60 0.00 0.00 56.93 55.95 3m1y s PHE 95 Cb -0.16 -1.82 0.05 0.00 0.51 0.00 0.00 43.02 41.60 3m1y s PHE 95 CO 0.05 0.13 0.28 0.45 0.70 0.00 0.00 175.22 176.82 3m1y s SER 96 N -0.22 -0.12 0.00 1.36 0.15 -0.10 -2.45 113.70 112.33 3m1y s SER 96 Ca 0.03 0.60 0.18 0.00 0.70 0.00 0.00 55.95 57.47 3m1y s SER 96 Cb -0.13 0.57 1.03 0.00 -1.71 0.00 0.00 66.02 65.77 3m1y s SER 96 CO 0.03 -0.19 1.53 0.61 1.20 0.00 0.00 173.24 176.41 3m1y n GLY 97 N 4.59 -0.71 0.00 9.45 0.00 -1.26 -3.91 105.19 113.35 3m1y n GLY 97 Ca -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3m1y n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1y n GLY 98 N 0.20 1.12 3.26 -0.02 0.00 -1.26 -4.72 105.19 103.77 3m1y n GLY 98 Ca 0.12 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 3m1y n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m1y s PHE 99 N 1.02 1.58 -0.88 1.61 0.08 -1.26 -1.29 117.98 118.82 3m1y s PHE 99 Ca 0.00 -0.47 0.17 0.00 0.12 0.00 0.00 56.93 56.75 3m1y s PHE 99 Cb 0.00 -0.84 0.73 0.00 -0.57 0.00 0.00 43.02 42.34 3m1y s PHE 99 CO 0.00 0.19 1.54 -0.40 -0.10 0.00 0.00 175.22 176.45 3m1y n ASP 100 N 0.81 0.16 -0.29 1.36 5.68 -0.18 -1.49 116.55 122.60 3m1y n ASP 100 Ca -0.17 0.54 -0.04 0.00 -0.50 0.00 0.00 54.79 54.61 3m1y n ASP 100 Cb 0.55 -0.57 0.11 0.00 -1.14 0.00 0.00 41.12 40.07 3m1y n ASP 100 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3m1y h LEU 101 N 0.00 1.06 0.11 -2.12 3.38 -1.96 0.29 115.31 116.07 3m1y h LEU 101 Ca 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3m1y h LEU 101 Cb 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3m1y h LEU 101 CO 0.00 0.90 -0.05 0.00 0.09 0.00 0.00 178.44 179.37 3m1y h ALA 102 N 1.26 -0.16 -0.38 1.53 0.00 -1.53 -3.33 119.26 116.66 3m1y h ALA 102 Ca 0.28 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3m1y h ALA 102 Cb 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3m1y h ALA 102 CO -0.03 -0.15 0.25 1.79 0.00 0.00 0.00 179.25 181.11 3m1y h THR 103 N -1.01 1.00 -0.61 0.00 1.35 -1.21 -2.16 112.91 110.27 3m1y h THR 103 Ca -0.02 -0.12 -0.09 0.00 -0.55 0.00 0.00 66.41 65.63 3m1y h THR 103 Cb 0.12 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 67.13 3m1y h THR 103 CO 0.03 0.07 0.01 0.78 -0.25 0.00 0.00 175.52 176.15 3m1y h ASN 104 N 0.36 1.03 0.13 5.36 2.35 -0.60 -0.88 115.58 123.34 3m1y h ASN 104 Ca 0.16 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3m1y h ASN 104 Cb 0.18 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3m1y h ASN 104 CO -0.04 1.08 -0.06 -0.74 -1.65 0.00 0.00 177.43 176.02 3m1y h HIS 105 N 0.97 -0.16 0.00 1.19 2.76 -1.51 -2.69 115.15 115.71 3m1y h HIS 105 Ca 0.17 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 3m1y h HIS 105 Cb 0.55 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 3m1y h HIS 105 CO 0.04 0.08 -0.23 1.88 -1.30 0.00 0.00 177.93 178.40 3m1y h TYR 106 N -0.39 0.00 -0.41 5.26 0.05 -1.47 -1.06 116.97 118.96 3m1y h TYR 106 Ca -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 3m1y h TYR 106 Cb 0.32 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3m1y h TYR 106 CO -0.00 0.23 0.03 -0.09 -1.05 0.00 0.00 178.16 177.28 3m1y h ARG 107 N 0.00 0.70 -0.29 4.88 2.43 -1.06 0.96 114.38 121.99 3m1y h ARG 107 Ca -0.00 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 58.83 3m1y h ARG 107 Cb 0.64 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3m1y h ARG 107 CO 0.03 0.76 -0.34 -0.44 -1.51 0.00 0.00 179.97 178.47 3m1y h ASP 108 N 0.54 0.81 -0.48 -3.80 3.32 -1.13 0.19 116.42 115.87 3m1y h ASP 108 Ca 0.12 -0.49 -0.07 0.00 0.02 0.00 0.00 57.03 56.62 3m1y h ASP 108 Cb 0.42 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3m1y h ASP 108 CO 0.01 1.13 0.06 0.25 -1.72 0.00 0.00 179.24 178.98 3m1y h LEU 109 N 0.50 0.83 -1.12 1.55 5.85 -1.06 -2.90 115.31 118.96 3m1y h LEU 109 Ca 0.04 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3m1y h LEU 109 Cb 0.93 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3m1y h LEU 109 CO 0.08 0.85 -0.31 0.18 -0.34 0.00 0.00 178.44 178.91 3m1y n LEU 110 N -4.23 2.05 -3.34 2.25 4.77 0.32 -4.97 117.00 113.85 3m1y n LEU 110 Ca 0.03 -0.71 -0.20 0.00 -0.03 0.00 0.00 56.01 55.10 3m1y n LEU 110 Cb 0.28 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 3m1y n LEU 110 CO 0.41 0.37 0.18 1.41 -1.33 0.00 0.00 177.39 178.43 3m1y n HIS 111 N 0.19 -2.42 -2.46 -1.77 8.25 0.16 -4.86 115.22 112.31 3m1y n HIS 111 Ca 0.11 0.92 -0.36 0.00 -0.26 0.00 0.00 57.72 58.13 3m1y n HIS 111 Cb 0.47 -4.82 -0.03 0.00 1.12 0.00 0.00 29.99 26.73 3m1y n HIS 111 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m1y s LEU 112 N -6.54 4.06 0.42 2.41 1.02 0.43 -4.94 118.68 115.53 3m1y s LEU 112 Ca 0.32 2.10 0.20 0.00 0.02 0.00 0.00 54.13 56.77 3m1y s LEU 112 Cb -0.14 -4.26 0.88 0.00 0.02 0.00 0.00 46.19 42.70 3m1y s LEU 112 CO 0.68 -0.66 1.83 0.44 0.02 0.00 0.00 176.35 178.66 3m1y h ASP 113 N 2.22 0.00 -4.81 2.29 3.32 -0.99 -3.45 116.42 115.00 3m1y h ASP 113 Ca -0.49 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.73 3m1y h ASP 113 Cb 1.23 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 3m1y h ASP 113 CO 0.61 0.30 0.57 0.00 -1.72 0.00 0.00 179.24 179.00 3m1y s ALA 114 N -3.82 -1.86 -0.03 3.45 0.00 -1.23 -5.04 121.76 113.24 3m1y s ALA 114 Ca -0.01 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 3m1y s ALA 114 Cb 0.12 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.62 3m1y s ALA 114 CO 0.66 -0.78 0.09 0.00 0.00 0.00 0.00 175.76 175.73 3m1y s ALA 115 N -2.99 -0.21 -0.14 0.00 0.00 -1.26 -1.59 121.76 115.58 3m1y s ALA 115 Ca 0.08 0.19 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 3m1y s ALA 115 Cb -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.04 3m1y s ALA 115 CO -0.05 -0.06 0.01 -0.06 0.00 0.00 0.00 175.76 175.59 3m1y s PHE 116 N -0.11 0.97 0.00 0.00 0.08 0.21 -4.96 117.98 114.17 3m1y s PHE 116 Ca -0.02 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.44 3m1y s PHE 116 Cb -0.01 -0.97 0.00 0.00 -0.57 0.00 0.00 43.02 41.46 3m1y s PHE 116 CO 0.00 -0.49 0.00 -1.13 -0.10 0.00 0.00 175.22 173.50 3m1y n SER 117 N 5.07 0.00 -4.84 1.36 3.41 -1.26 -0.93 113.62 116.43 3m1y n SER 117 Ca -0.09 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.28 3m1y n SER 117 Cb 0.49 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3m1y n SER 117 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3m1y s ASN 118 N 1.33 4.70 -0.07 4.04 0.01 -0.41 -2.45 114.94 122.09 3m1y s ASN 118 Ca 0.00 -1.04 0.04 0.00 -0.71 0.00 0.00 52.86 51.15 3m1y s ASN 118 Cb 0.00 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.48 3m1y s ASN 118 CO 0.00 -0.79 -0.19 -0.89 -1.51 0.00 0.00 177.10 173.72 3m1y s THR 119 N -2.63 2.59 -0.48 1.60 2.01 0.96 -1.01 115.64 118.68 3m1y s THR 119 Ca 0.40 -0.87 -0.21 0.00 0.31 0.00 0.00 61.69 61.32 3m1y s THR 119 Cb -0.01 -2.00 0.04 0.00 0.01 0.00 0.00 72.50 70.54 3m1y s THR 119 CO 0.23 0.57 0.70 -0.76 -0.69 0.00 0.00 174.62 174.67 3m1y s LEU 120 N -0.21 4.57 0.19 4.42 1.43 -1.26 -2.81 118.68 125.00 3m1y s LEU 120 Ca -0.01 -0.51 -0.32 0.00 -1.03 0.00 0.00 54.13 52.27 3m1y s LEU 120 Cb -0.13 -2.67 -0.11 0.00 0.03 0.00 0.00 46.19 43.30 3m1y s LEU 120 CO 0.03 -0.90 1.73 -0.63 0.23 0.00 0.00 176.35 176.82 3m1y s ILE 121 N 2.98 2.19 -0.07 -0.59 1.01 -0.68 -4.93 121.20 121.10 3m1y s ILE 121 Ca 0.22 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3m1y s ILE 121 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3m1y s ILE 121 CO 0.17 0.00 -0.07 -0.69 0.00 0.00 0.00 174.94 174.35 3m1y s VAL 122 N 1.52 3.67 -0.06 2.92 1.01 -1.26 -1.55 120.40 126.65 3m1y s VAL 122 Ca 0.76 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3m1y s VAL 122 Cb -0.48 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3m1y s VAL 122 CO 0.33 0.60 0.02 -0.70 0.00 0.00 0.00 175.10 175.35 3m1y s GLU 123 N -0.76 0.35 -1.25 2.72 2.12 0.86 -4.89 118.70 117.84 3m1y s GLU 123 Ca 0.12 0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.57 3m1y s GLU 123 Cb -0.11 -0.79 -0.01 0.00 0.26 0.00 0.00 34.13 33.48 3m1y s GLU 123 CO 0.01 -0.31 0.67 0.09 -0.54 0.00 0.00 175.26 175.19 3m1y n ASN 124 N 5.16 -2.84 -0.68 -1.70 3.02 -1.26 -2.36 115.26 114.60 3m1y n ASN 124 Ca -0.06 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.46 3m1y n ASN 124 Cb 0.50 -3.61 -0.04 0.00 -0.61 0.00 0.00 39.78 36.02 3m1y n ASN 124 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3m1y n ASP 125 N -2.90 -4.75 -3.84 6.41 8.00 -1.26 -4.99 116.55 113.22 3m1y n ASP 125 Ca -0.21 0.22 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 3m1y n ASP 125 Cb 0.64 -3.03 -0.08 0.00 -0.02 0.00 0.00 41.12 38.63 3m1y n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m1y s ALA 126 N -2.10 -0.39 0.27 2.24 0.00 -0.99 -1.66 121.76 119.13 3m1y s ALA 126 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 3m1y s ALA 126 Cb 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 23.12 23.27 3m1y s ALA 126 CO 0.00 -0.34 1.40 -0.51 0.00 0.00 0.00 175.76 176.30 3m1y s LEU 127 N -1.98 4.40 -0.00 0.00 1.02 -1.26 -0.10 118.68 120.75 3m1y s LEU 127 Ca -0.06 2.67 0.22 0.00 0.02 0.00 0.00 54.13 56.98 3m1y s LEU 127 Cb -0.02 -3.63 0.65 0.00 0.02 0.00 0.00 46.19 43.21 3m1y s LEU 127 CO -0.03 -0.65 1.54 -0.46 0.02 0.00 0.00 176.35 176.77 3m1y n ASN 128 N 1.86 3.97 0.00 2.29 6.94 -0.59 0.63 115.26 130.35 3m1y n ASN 128 Ca 0.05 -2.01 0.00 0.00 -0.02 0.00 0.00 54.58 52.59 3m1y n ASN 128 Cb 0.41 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 3m1y n ASN 128 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3m1y n GLY 129 N 1.65 1.42 3.96 4.83 0.00 -1.26 -4.79 105.19 111.00 3m1y n GLY 129 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 3m1y n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1y s LEU 130 N 0.00 4.32 -0.13 0.99 1.02 -1.26 -2.89 118.68 120.73 3m1y s LEU 130 Ca 0.00 0.10 -0.17 0.00 0.02 0.00 0.00 54.13 54.08 3m1y s LEU 130 Cb 0.00 -2.87 0.04 0.00 0.02 0.00 0.00 46.19 43.38 3m1y s LEU 130 CO 0.00 -0.03 0.45 0.54 0.02 0.00 0.00 176.35 177.33 3m1y s VAL 131 N -1.89 0.01 0.30 -1.59 0.11 -1.26 -1.69 120.40 114.39 3m1y s VAL 131 Ca 0.34 -0.09 -0.09 0.00 -2.93 0.00 0.00 61.98 59.21 3m1y s VAL 131 Cb -0.10 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3m1y s VAL 131 CO 0.29 -0.05 0.51 0.28 -3.33 0.00 0.00 175.10 172.80 3m1y s THR 132 N -0.19 0.00 -5.00 5.04 -1.32 -1.12 -4.99 115.64 108.06 3m1y s THR 132 Ca -0.04 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 3m1y s THR 132 Cb -0.03 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 3m1y s THR 132 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 3m1y n GLY 133 N -0.47 0.42 2.14 6.08 0.00 -1.26 -0.03 105.19 112.06 3m1y n GLY 133 Ca -0.01 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.31 3m1y n GLY 133 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m1y n HIS 134 N 9.00 0.00 -1.45 1.61 8.25 -1.02 -4.96 115.22 126.65 3m1y n HIS 134 Ca 0.00 -0.90 0.18 0.00 -0.26 0.00 0.00 57.72 56.74 3m1y n HIS 134 Cb 0.00 -1.07 -0.09 0.00 1.12 0.00 0.00 29.99 29.95 3m1y n HIS 134 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3m1y n PHE 137 N 2.59 -3.85 0.40 4.41 3.72 -1.26 -4.92 117.46 118.55 3m1y n PHE 137 Ca 0.24 2.09 0.11 0.00 -0.05 0.00 0.00 57.45 59.85 3m1y n PHE 137 Cb 0.54 -3.50 0.47 0.00 -0.94 0.00 0.00 39.48 36.06 3m1y n PHE 137 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3m1y n SER 138 N -4.34 0.60 -0.94 4.37 3.41 -1.26 -2.21 113.62 113.26 3m1y n SER 138 Ca -0.08 0.65 0.07 0.00 -0.26 0.00 0.00 58.87 59.26 3m1y n SER 138 Cb 0.68 -0.77 0.23 0.00 -0.26 0.00 0.00 64.21 64.09 3m1y n SER 138 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3m1y n HIS 139 N -2.16 0.83 0.17 7.33 8.25 -1.26 -4.62 115.22 123.76 3m1y n HIS 139 Ca 0.02 -0.63 0.10 0.00 -0.26 0.00 0.00 57.72 56.95 3m1y n HIS 139 Cb 0.22 -0.15 0.61 0.00 1.12 0.00 0.00 29.99 31.79 3m1y n HIS 139 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3m1y h SER 140 N 2.48 0.08 -0.09 0.41 0.02 -1.80 -2.70 113.55 111.96 3m1y h SER 140 Ca 0.00 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 3m1y h SER 140 Cb 1.09 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.62 3m1y h SER 140 CO 0.11 0.05 -0.44 0.11 -1.14 0.00 0.00 176.83 175.53 3m1y h LYS 141 N 0.09 0.45 -0.57 3.45 1.57 -1.83 -3.24 116.57 116.50 3m1y h LYS 141 Ca 0.07 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.51 3m1y h LYS 141 Cb 0.18 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3m1y h LYS 141 CO -0.01 1.00 0.34 0.78 -0.57 0.00 0.00 179.45 180.99 3m1y h GLY 142 N 0.01 0.81 -0.98 3.86 0.00 -1.53 -0.46 103.07 104.77 3m1y h GLY 142 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3m1y h GLY 142 CO 0.09 0.21 0.00 1.18 0.00 0.00 0.00 176.54 178.02 3m1y n GLU 143 N -4.77 0.00 0.00 4.80 1.02 -1.04 -1.87 120.64 118.78 3m1y n GLU 143 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3m1y n GLU 143 Cb 0.09 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3m1y n GLU 143 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3m1y n LEU 145 N 0.47 0.00 -0.27 -4.62 7.94 -0.18 -1.42 117.00 118.92 3m1y n LEU 145 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3m1y n LEU 145 Cb 0.00 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.01 3m1y n LEU 145 CO 0.00 0.00 1.11 -0.07 -1.11 0.00 0.00 177.39 177.32 3m1y h LEU 146 N 0.00 0.92 0.16 -1.96 -0.00 -1.63 0.38 115.31 113.18 3m1y h LEU 146 Ca 0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 57.88 57.79 3m1y h LEU 146 Cb 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.40 3m1y h LEU 146 CO 0.00 0.76 -0.26 0.58 -0.00 0.00 0.00 178.44 179.51 3m1y h VAL 147 N 1.01 0.43 -0.79 1.22 2.07 -1.52 -1.13 116.25 117.55 3m1y h VAL 147 Ca 0.26 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.80 3m1y h VAL 147 Cb 0.05 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 3m1y h VAL 147 CO -0.04 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 177.99 3m1y h LEU 148 N -0.49 0.86 -0.97 2.57 4.07 -1.76 0.15 115.31 119.74 3m1y h LEU 148 Ca 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 3m1y h LEU 148 Cb 0.50 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 3m1y h LEU 148 CO -0.12 0.60 0.47 1.56 -1.08 0.00 0.00 178.44 179.87 3m1y h GLN 149 N 1.01 1.19 -0.02 1.13 4.20 -0.60 0.37 115.11 122.39 3m1y h GLN 149 Ca 0.31 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.70 3m1y h GLN 149 Cb -0.04 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 3m1y h GLN 149 CO -0.09 0.87 -0.79 -0.09 -0.67 0.00 0.00 178.83 178.05 3m1y h ARG 150 N 1.19 0.18 -0.04 1.46 9.65 -0.74 0.21 114.38 126.29 3m1y h ARG 150 Ca 0.30 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 3m1y h ARG 150 Cb 0.03 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 3m1y h ARG 150 CO -0.05 0.88 -0.08 1.25 2.80 0.00 0.00 179.97 184.78 3m1y h LEU 151 N 0.11 0.14 0.00 3.80 5.85 0.10 -3.23 115.31 122.08 3m1y h LEU 151 Ca -0.03 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3m1y h LEU 151 Cb 1.38 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3m1y h LEU 151 CO 0.12 0.67 -0.39 0.18 -0.34 0.00 0.00 178.44 178.68 3m1y n LEU 152 N -4.71 0.40 -3.20 2.25 4.77 0.12 -4.96 117.00 111.67 3m1y n LEU 152 Ca -0.08 0.13 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 3m1y n LEU 152 Cb 0.33 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3m1y n LEU 152 CO 0.36 0.08 0.04 -3.20 -1.33 0.00 0.00 177.39 173.34 3m1y n ASN 153 N -1.54 -5.99 -4.10 -1.43 5.15 0.57 -5.03 115.26 102.89 3m1y n ASN 153 Ca 0.06 -0.67 -0.27 0.00 -0.60 0.00 0.00 54.58 53.10 3m1y n ASN 153 Cb 0.34 -5.04 -0.16 0.00 -0.53 0.00 0.00 39.78 34.39 3m1y n ASN 153 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3m1y s ILE 154 N -3.37 1.42 0.85 -1.44 1.01 -0.25 -5.03 121.20 114.39 3m1y s ILE 154 Ca 0.39 -0.67 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 3m1y s ILE 154 Cb -0.05 -1.25 0.11 0.00 0.01 0.00 0.00 42.46 41.27 3m1y s ILE 154 CO 0.71 0.42 1.21 -0.94 0.00 0.00 0.00 174.94 176.33 3m1y s SER 155 N 0.36 4.17 0.21 3.58 1.04 -1.26 -4.61 113.70 117.19 3m1y s SER 155 Ca -0.11 0.69 -0.10 0.00 0.48 0.00 0.00 55.95 56.90 3m1y s SER 155 Cb -0.15 -1.09 0.15 0.00 0.10 0.00 0.00 66.02 65.04 3m1y s SER 155 CO 0.04 -2.11 1.85 0.50 0.98 0.00 0.00 173.24 174.50 3m1y h LYS 156 N -1.20 1.03 -0.43 4.02 3.64 -1.95 -1.93 116.57 119.75 3m1y h LYS 156 Ca -0.46 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 58.91 3m1y h LYS 156 Cb 1.31 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3m1y h LYS 156 CO 0.60 0.73 0.29 1.15 -2.27 0.00 0.00 179.45 179.95 3m1y h THR 157 N 1.04 0.91 -0.73 1.00 2.02 -1.93 -1.44 112.91 113.78 3m1y h THR 157 Ca 0.27 -0.08 -0.28 0.00 0.77 0.00 0.00 66.41 67.09 3m1y h THR 157 Cb -0.04 0.65 -0.17 0.00 -1.74 0.00 0.00 68.15 66.85 3m1y h THR 157 CO -0.05 0.04 0.31 0.59 0.37 0.00 0.00 175.52 176.78 3m1y n ASN 158 N -4.46 4.18 -4.30 4.18 3.02 -0.74 -4.73 115.26 112.41 3m1y n ASN 158 Ca 0.06 -3.39 -0.32 0.00 -0.03 0.00 0.00 54.58 50.90 3m1y n ASN 158 Cb 0.32 -0.74 -0.16 0.00 -0.61 0.00 0.00 39.78 38.59 3m1y n ASN 158 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m1y s THR 159 N -3.10 2.29 -0.02 3.41 2.01 -0.58 -1.09 115.64 118.56 3m1y s THR 159 Ca 0.53 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.63 3m1y s THR 159 Cb 0.44 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 3m1y s THR 159 CO 0.11 0.57 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.14 3m1y s LEU 160 N -0.14 2.05 -0.00 4.42 0.20 0.16 -2.35 118.68 123.01 3m1y s LEU 160 Ca -0.04 -0.44 0.03 0.00 0.69 0.00 0.00 54.13 54.38 3m1y s LEU 160 Cb -0.14 -1.25 -0.01 0.00 -0.43 0.00 0.00 46.19 44.36 3m1y s LEU 160 CO 0.04 0.29 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.59 3m1y s VAL 161 N -0.54 0.88 -0.06 1.68 1.01 -0.11 -1.33 120.40 121.93 3m1y s VAL 161 Ca 0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3m1y s VAL 161 Cb -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.56 3m1y s VAL 161 CO -0.01 0.20 0.02 -0.69 0.00 0.00 0.00 175.10 174.62 3m1y s VAL 162 N -0.35 0.24 0.34 2.92 1.01 -0.72 0.06 120.40 123.89 3m1y s VAL 162 Ca 0.04 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 3m1y s VAL 162 Cb -0.05 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.94 3m1y s VAL 162 CO -0.00 0.23 0.56 -0.83 0.00 0.00 0.00 175.10 175.05 3m1y s GLY 163 N 1.90 1.09 0.00 4.51 0.00 -0.87 -1.03 107.32 112.92 3m1y s GLY 163 Ca 0.03 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3m1y s GLY 163 CO -0.04 -0.78 0.00 2.09 0.00 0.00 0.00 173.10 174.37 3m1y n ASP 164 N -1.30 1.75 -4.72 1.64 5.68 -1.26 -1.54 116.55 116.79 3m1y n ASP 164 Ca -0.02 -0.08 -0.31 0.00 -0.50 0.00 0.00 54.79 53.88 3m1y n ASP 164 Cb 0.61 0.51 -0.08 0.00 -1.14 0.00 0.00 41.12 41.02 3m1y n ASP 164 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3m1y s GLY 165 N -0.86 2.86 0.39 6.12 0.00 -1.26 -0.58 107.32 114.00 3m1y s GLY 165 Ca 0.00 -0.96 0.13 0.00 0.00 0.00 0.00 44.72 43.89 3m1y s GLY 165 CO 0.00 -2.16 1.90 0.00 0.00 0.00 0.00 173.10 172.83 3m1y h ALA 166 N 1.46 1.98 -0.00 3.20 0.00 -1.97 -0.57 119.26 123.37 3m1y h ALA 166 Ca -0.44 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3m1y h ALA 166 Cb 1.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3m1y h ALA 166 CO 0.76 -0.21 0.00 -2.95 0.00 0.00 0.00 179.25 176.86 3m1y h ASN 167 N 0.54 0.00 0.59 0.00 -0.00 -1.95 -2.17 115.58 112.59 3m1y h ASN 167 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.71 3m1y h ASN 167 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.11 3m1y h ASN 167 CO -0.16 0.00 -0.03 0.47 -0.00 0.00 0.00 177.43 177.71 3m1y n ASP 168 N -3.56 0.09 -0.25 6.14 8.00 -0.22 -3.81 116.55 122.95 3m1y n ASP 168 Ca -0.03 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.34 3m1y n ASP 168 Cb 0.08 -0.26 0.13 0.00 -0.02 0.00 0.00 41.12 41.04 3m1y n ASP 168 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3m1y h LEU 169 N 0.09 0.53 -1.63 0.64 3.38 -1.54 0.89 115.31 117.67 3m1y h LEU 169 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3m1y h LEU 169 Cb 0.33 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3m1y h LEU 169 CO 0.00 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 177.31 3m1y n SER 170 N -4.82 0.04 0.00 -0.43 3.41 -1.25 -1.85 113.62 108.73 3m1y n SER 170 Ca 0.10 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3m1y n SER 170 Cb 0.24 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3m1y n SER 170 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3m1y n PHE 172 N 0.81 0.00 -0.28 7.33 3.01 0.30 -3.48 117.46 125.15 3m1y n PHE 172 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.56 3m1y n PHE 172 Cb 0.01 0.00 0.33 0.00 -0.01 0.00 0.00 39.48 39.81 3m1y n PHE 172 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 3m1y h LYS 173 N 0.00 0.77 -0.66 -1.08 1.57 -1.65 -2.75 116.57 112.77 3m1y h LYS 173 Ca 0.00 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 3m1y h LYS 173 Cb 0.00 -0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.02 3m1y h LYS 173 CO 0.00 0.51 0.22 0.72 -0.57 0.00 0.00 179.45 180.32 3m1y n HIS 174 N -4.55 2.21 -4.35 -1.35 8.25 -1.26 -4.96 115.22 109.21 3m1y n HIS 174 Ca 0.16 -1.20 -0.26 0.00 -0.26 0.00 0.00 57.72 56.17 3m1y n HIS 174 Cb 0.39 -0.64 -0.12 0.00 1.12 0.00 0.00 29.99 30.74 3m1y n HIS 174 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1y s ALA 175 N -3.00 2.15 -0.14 -1.41 0.00 -1.04 -4.56 121.76 113.76 3m1y s ALA 175 Ca 0.53 -1.42 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 3m1y s ALA 175 Cb 0.43 -0.30 -0.25 0.00 0.00 0.00 0.00 23.12 23.00 3m1y s ALA 175 CO 0.12 0.42 0.51 1.25 0.00 0.00 0.00 175.76 178.06 3m1y h HIS 176 N 3.78 0.22 -3.62 0.00 2.76 -1.11 -3.44 115.15 113.74 3m1y h HIS 176 Ca -0.48 -0.16 -0.63 0.00 -2.20 0.00 0.00 60.37 56.90 3m1y h HIS 176 Cb 1.18 -0.01 -0.18 0.00 1.55 0.00 0.00 27.41 29.96 3m1y h HIS 176 CO 0.63 1.41 -0.56 0.42 -1.30 0.00 0.00 177.93 178.53 3m1y s ILE 177 N -2.39 4.90 -0.21 6.26 1.01 -1.11 -4.92 121.20 124.74 3m1y s ILE 177 Ca -0.22 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3m1y s ILE 177 Cb 0.03 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.26 3m1y s ILE 177 CO 0.70 0.34 -0.10 -0.54 0.00 0.00 0.00 174.94 175.34 3m1y s LYS 178 N 1.25 2.08 -0.21 2.79 1.02 -1.26 -0.93 119.74 124.48 3m1y s LYS 178 Ca 0.06 -0.94 -0.07 0.00 0.02 0.00 0.00 55.97 55.04 3m1y s LYS 178 Cb -0.14 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 3m1y s LYS 178 CO 0.05 -0.46 0.05 0.42 -0.92 0.00 0.00 175.35 174.50 3m1y s ILE 179 N 1.34 4.41 -0.50 2.17 -1.09 0.11 0.07 121.20 127.71 3m1y s ILE 179 Ca -0.03 -0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.08 3m1y s ILE 179 Cb -0.17 -3.02 0.09 0.00 -1.58 0.00 0.00 42.46 37.79 3m1y s ILE 179 CO -0.08 0.40 0.45 0.00 -1.23 0.00 0.00 174.94 174.48 3m1y s ALA 180 N 1.02 3.58 -0.44 9.38 0.00 0.18 -2.06 121.76 133.42 3m1y s ALA 180 Ca 0.03 -2.25 -0.21 0.00 0.00 0.00 0.00 51.96 49.54 3m1y s ALA 180 Cb -0.14 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3m1y s ALA 180 CO 0.03 -1.86 0.64 0.12 0.00 0.00 0.00 175.76 174.69 3m1y s PHE 181 N 1.70 3.06 -1.68 0.00 5.36 -0.59 -0.70 117.98 125.13 3m1y s PHE 181 Ca 0.04 -0.07 -0.12 0.00 -0.96 0.00 0.00 56.93 55.82 3m1y s PHE 181 Cb -0.26 -3.35 0.12 0.00 -0.34 0.00 0.00 43.02 39.18 3m1y s PHE 181 CO 0.06 -0.88 0.43 0.09 -1.46 0.00 0.00 175.22 173.46 3m1y n ASN 182 N 6.26 -1.08 -4.91 6.13 3.02 0.35 -4.43 115.26 120.60 3m1y n ASN 182 Ca -0.02 -1.18 -0.28 0.00 -0.03 0.00 0.00 54.58 53.08 3m1y n ASN 182 Cb 0.48 -2.03 0.05 0.00 -0.61 0.00 0.00 39.78 37.67 3m1y n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m1y s ALA 183 N -3.70 3.06 0.54 5.41 0.00 -1.26 -4.94 121.76 120.87 3m1y s ALA 183 Ca 0.45 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.58 3m1y s ALA 183 Cb -0.26 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 3m1y s ALA 183 CO 0.98 -1.14 1.05 0.15 0.00 0.00 0.00 175.76 176.80 3m1y s LYS 184 N -5.24 3.56 0.24 0.00 3.01 0.26 -4.80 119.74 116.77 3m1y s LYS 184 Ca 0.58 1.28 -0.11 0.00 -1.01 0.00 0.00 55.97 56.70 3m1y s LYS 184 Cb -0.11 -2.06 0.33 0.00 -1.01 0.00 0.00 37.83 34.98 3m1y s LYS 184 CO 0.47 -0.62 1.59 0.93 0.51 0.00 0.00 175.35 178.23 3m1y h GLU 185 N 0.98 -0.01 -0.96 1.68 4.39 -1.98 -1.43 114.58 117.26 3m1y h GLU 185 Ca -0.48 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.29 3m1y h GLU 185 Cb 1.22 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.80 3m1y h GLU 185 CO 0.58 -0.00 0.61 0.28 -1.16 0.00 0.00 179.01 179.32 3m1y h VAL 186 N -0.01 1.05 -0.05 3.13 2.07 -1.97 -1.96 116.25 118.52 3m1y h VAL 186 Ca 0.38 -0.38 -0.19 0.00 0.82 0.00 0.00 66.70 67.34 3m1y h VAL 186 Cb 0.59 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3m1y h VAL 186 CO -0.84 0.20 -0.71 0.25 0.02 0.00 0.00 177.57 176.49 3m1y h LEU 187 N 1.10 0.72 -0.97 2.57 7.12 -1.60 -3.24 115.31 121.00 3m1y h LEU 187 Ca 0.42 -0.70 0.10 0.00 0.13 0.00 0.00 57.88 57.83 3m1y h LEU 187 Cb 0.20 -0.22 -0.08 0.00 -0.53 0.00 0.00 40.66 40.04 3m1y h LEU 187 CO -0.18 1.31 0.60 0.11 -0.13 0.00 0.00 178.44 180.15 3m1y h LYS 188 N 0.18 0.98 0.00 1.25 1.57 -1.00 -1.39 116.57 118.15 3m1y h LYS 188 Ca -0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3m1y h LYS 188 Cb 1.38 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3m1y h LYS 188 CO 0.14 0.65 0.00 0.94 -0.57 0.00 0.00 179.45 180.61 3m1y n GLN 189 N -4.61 0.10 -0.02 3.15 -0.06 -0.76 -1.73 117.38 113.44 3m1y n GLN 189 Ca 0.17 0.48 0.03 0.00 -2.00 0.00 0.00 57.00 55.67 3m1y n GLN 189 Cb 0.29 -1.76 0.04 0.00 -4.06 0.00 0.00 30.24 24.75 3m1y n GLN 189 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 3m1y n HIS 190 N -1.96 0.07 -1.62 3.69 8.25 -0.56 -5.05 115.22 118.03 3m1y n HIS 190 Ca 0.01 -0.16 -0.31 0.00 -0.26 0.00 0.00 57.72 57.01 3m1y n HIS 190 Cb 0.11 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.26 3m1y n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1y s ALA 191 N -0.60 2.65 -0.10 -1.41 0.00 -0.70 -4.94 121.76 116.66 3m1y s ALA 191 Ca 0.07 -0.03 0.15 0.00 0.00 0.00 0.00 51.96 52.15 3m1y s ALA 191 Cb 0.05 -3.14 -0.22 0.00 0.00 0.00 0.00 23.12 19.81 3m1y s ALA 191 CO 0.07 -1.27 0.54 2.41 0.00 0.00 0.00 175.76 177.50 3m1y n THR 192 N -3.15 1.43 -3.71 0.00 -1.04 0.11 -4.93 114.28 103.00 3m1y n THR 192 Ca 0.07 -0.79 -0.13 0.00 -2.04 0.00 0.00 64.05 61.16 3m1y n THR 192 Cb 0.54 -0.81 -0.09 0.00 -1.82 0.00 0.00 70.33 68.15 3m1y n THR 192 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3m1y s HIS 193 N -2.66 -0.52 -0.08 -1.42 0.09 -0.73 -4.95 115.29 105.04 3m1y s HIS 193 Ca -0.06 1.24 0.02 0.00 -0.00 0.00 0.00 55.06 56.25 3m1y s HIS 193 Cb 0.08 0.18 -0.03 0.00 -0.00 0.00 0.00 32.58 32.82 3m1y s HIS 193 CO 0.83 -0.27 -0.11 0.00 -0.00 0.00 0.00 174.74 175.18 3m1y s ILE 195 N -0.51 2.18 -1.08 0.00 -1.09 0.13 -4.95 121.20 115.88 3m1y s ILE 195 Ca 0.07 -1.42 0.18 0.00 -2.23 0.00 0.00 60.65 57.25 3m1y s ILE 195 Cb -0.12 -2.18 0.66 0.00 -1.58 0.00 0.00 42.46 39.25 3m1y s ILE 195 CO 0.02 0.14 1.57 0.59 -1.23 0.00 0.00 174.94 176.03 3m1y n ASN 196 N 4.49 4.47 -4.36 3.58 5.03 -1.26 0.13 115.26 127.34 3m1y n ASN 196 Ca -0.16 -2.42 -0.32 0.00 0.87 0.00 0.00 54.58 52.54 3m1y n ASN 196 Cb 0.44 -0.54 -0.15 0.00 -1.02 0.00 0.00 39.78 38.52 3m1y n ASN 196 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3m1y s GLU 197 N -1.79 2.74 -0.51 3.52 2.56 -1.26 -4.88 118.70 119.08 3m1y s GLU 197 Ca 0.48 -0.78 -0.05 0.00 0.00 0.00 0.00 54.97 54.62 3m1y s GLU 197 Cb 0.31 -2.35 -0.10 0.00 2.00 0.00 0.00 34.13 33.99 3m1y s GLU 197 CO 0.23 0.42 2.20 -0.35 -0.56 0.00 0.00 175.26 177.20 3m1y n PRO 198 N 2.87 1.67 -3.60 4.30 -0.04 -1.26 -4.70 135.00 134.25 3m1y n PRO 198 Ca -0.17 -1.06 -0.18 0.00 -0.04 0.00 0.00 63.50 62.04 3m1y n PRO 198 Cb 0.52 -2.15 -0.15 0.00 -0.04 0.00 0.00 33.50 31.68 3m1y n PRO 198 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3m1y s ASP 199 N 2.95 1.12 0.50 3.54 -1.08 -1.26 -4.05 116.67 118.38 3m1y s ASP 199 Ca 0.39 0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.72 3m1y s ASP 199 Cb 0.14 0.27 1.32 0.00 -1.46 0.00 0.00 42.92 43.19 3m1y s ASP 199 CO -0.02 -0.28 2.03 -0.07 0.52 0.00 0.00 175.17 177.35 3m1y h LEU 200 N 8.35 0.00 -2.11 -1.34 3.38 -0.49 -2.85 115.31 120.25 3m1y h LEU 200 Ca -0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3m1y h LEU 200 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3m1y h LEU 200 CO 0.20 0.15 -0.03 0.00 0.09 0.00 0.00 178.44 178.85 3m1y h ALA 201 N 1.85 1.75 0.00 1.53 0.00 -1.71 -1.70 119.26 120.98 3m1y h ALA 201 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m1y h ALA 201 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3m1y h ALA 201 CO 0.02 0.04 0.09 1.28 0.00 0.00 0.00 179.25 180.68 3m1y n LEU 202 N -4.22 0.32 0.10 0.00 7.99 -1.08 -0.40 117.00 119.71 3m1y n LEU 202 Ca -0.03 0.60 0.12 0.00 -0.01 0.00 0.00 56.01 56.70 3m1y n LEU 202 Cb 0.12 -0.62 0.19 0.00 -0.11 0.00 0.00 43.42 43.00 3m1y n LEU 202 CO 0.32 -0.71 0.47 0.40 -1.51 0.00 0.00 177.39 176.35 3m1y h ILE 203 N 0.00 0.00 -0.49 -0.08 2.04 -1.53 -3.37 117.51 114.08 3m1y h ILE 203 Ca 0.00 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3m1y h ILE 203 Cb 0.19 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3m1y h ILE 203 CO 0.00 0.00 0.28 0.11 0.00 0.00 0.00 178.15 178.54 3m1y h LYS 204 N 0.00 0.66 0.00 2.37 1.57 -0.90 -1.49 116.57 118.78 3m1y h LYS 204 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3m1y h LYS 204 Cb 0.82 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3m1y h LYS 204 CO 0.00 0.48 0.02 -2.30 -0.57 0.00 0.00 179.45 177.08 3m1y n PRO 205 N -4.42 0.00 0.00 3.15 -0.03 -1.26 -5.14 135.00 127.30 3m1y n PRO 205 Ca 0.04 0.36 0.14 0.00 -0.03 0.00 0.00 63.50 64.01 3m1y n PRO 205 Cb 0.09 -1.52 0.63 0.00 -0.03 0.00 0.00 33.50 32.66 3m1y n PRO 205 CO 0.00 0.00 0.00 1.28 -0.03 0.00 0.00 175.50 176.75