#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why s SER 75 N 0.00 -0.37 -0.01 1.61 0.01 -1.26 -5.16 113.70 108.52 1why s SER 75 Ca 0.00 0.68 0.02 0.00 1.31 0.00 0.00 55.95 57.96 1why s SER 75 Cb 0.00 0.57 -0.00 0.00 0.21 0.00 0.00 66.02 66.80 1why s SER 75 CO 0.00 -0.17 -0.07 -0.44 0.41 0.00 0.00 173.24 172.96 1why s SER 76 N 1.25 0.88 0.00 2.44 0.01 -1.26 -5.07 113.70 111.95 1why s SER 76 Ca -0.09 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1why s SER 76 Cb -0.09 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.01 1why s SER 76 CO -0.10 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1why n GLY 77 N 2.99 -1.95 3.60 3.44 0.00 -1.26 -5.16 105.19 106.84 1why n GLY 77 Ca -0.14 0.92 -0.02 0.00 0.00 0.00 0.00 46.02 46.77 1why n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why s SER 78 N 0.00 -0.65 0.07 1.61 0.01 -1.26 -5.18 113.70 108.31 1why s SER 78 Ca 0.00 0.99 -0.26 0.00 1.31 0.00 0.00 55.95 57.99 1why s SER 78 Cb 0.00 1.41 0.09 0.00 0.21 0.00 0.00 66.02 67.73 1why s SER 78 CO 0.00 -0.15 1.17 -0.94 0.41 0.00 0.00 173.24 173.72 1why s SER 79 N 1.72 -0.02 0.27 2.44 1.04 -1.26 -5.19 113.70 112.71 1why s SER 79 Ca -0.08 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 55.99 1why s SER 79 Cb -0.05 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.33 1why s SER 79 CO -0.17 -0.61 0.05 -0.83 0.98 0.00 0.00 173.24 172.67 1why s GLY 80 N -3.46 1.81 -0.11 7.32 0.00 -1.26 -5.15 107.32 106.47 1why s GLY 80 Ca 0.23 -1.91 0.02 0.00 0.00 0.00 0.00 44.72 43.06 1why s GLY 80 CO 0.01 -1.70 -0.18 0.54 0.00 0.00 0.00 173.10 171.78 1why s LYS 81 N -3.93 2.46 -0.08 2.90 3.01 -1.26 -5.12 119.74 117.71 1why s LYS 81 Ca 0.35 -0.66 -0.30 0.00 -1.01 0.00 0.00 55.97 54.35 1why s LYS 81 Cb 0.08 -2.01 0.08 0.00 -1.01 0.00 0.00 37.83 34.97 1why s LYS 81 CO 0.13 0.00 0.73 -1.50 0.51 0.00 0.00 175.35 175.22 1why s ILE 82 N 0.79 0.00 0.00 2.17 2.07 -1.26 -5.12 121.20 119.85 1why s ILE 82 Ca -0.10 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 1why s ILE 82 Cb -0.16 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.43 1why s ILE 82 CO 0.01 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1why n GLY 83 N 1.03 1.83 3.25 1.50 0.00 -1.26 -5.18 105.19 106.37 1why n GLY 83 Ca -0.17 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 1why n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1why s TYR 84 N 0.00 1.35 0.00 1.61 1.51 -1.26 -5.11 117.35 115.45 1why s TYR 84 Ca 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 1why s TYR 84 Cb 0.00 -0.68 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 1why s TYR 84 CO 0.00 0.13 0.00 0.41 -1.11 0.00 0.00 175.55 174.98 1why n GLY 85 N 0.04 -2.25 3.85 0.71 0.00 -1.26 -5.05 105.19 101.23 1why n GLY 85 Ca -0.12 -2.19 -0.21 0.00 0.00 0.00 0.00 46.02 43.50 1why n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1why s LYS 86 N -0.84 2.91 -0.13 1.61 2.20 -1.26 -5.12 119.74 119.12 1why s LYS 86 Ca 0.00 -1.11 -0.01 0.00 -0.36 0.00 0.00 55.97 54.49 1why s LYS 86 Cb 0.00 -2.58 0.04 0.00 -1.51 0.00 0.00 37.83 33.78 1why s LYS 86 CO 0.00 0.28 -0.02 0.00 -0.36 0.00 0.00 175.35 175.25 1why s ALA 87 N -2.18 1.10 0.17 3.13 0.00 -1.26 -5.11 121.76 117.61 1why s ALA 87 Ca 0.36 -0.51 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 1why s ALA 87 Cb -0.07 -0.96 -0.15 0.00 0.00 0.00 0.00 23.12 21.94 1why s ALA 87 CO 0.26 -0.66 0.45 -1.71 0.00 0.00 0.00 175.76 174.10 1why n ASN 88 N 5.01 -1.05 -4.73 0.00 5.15 -1.26 -4.87 115.26 113.51 1why n ASN 88 Ca -0.10 0.97 -0.30 0.00 -0.60 0.00 0.00 54.58 54.55 1why n ASN 88 Cb 0.49 -0.81 0.13 0.00 -0.53 0.00 0.00 39.78 39.05 1why n ASN 88 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1why s PRO 89 N -0.84 1.50 0.01 1.20 0.04 -1.26 -4.80 135.00 130.86 1why s PRO 89 Ca 0.55 0.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.22 1why s PRO 89 Cb -0.80 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.00 1why s PRO 89 CO 0.48 -2.09 0.76 0.95 0.04 0.00 0.00 177.00 177.14 1why s THR 90 N -2.93 0.00 -1.37 1.26 -4.23 -1.26 -4.99 115.64 102.12 1why s THR 90 Ca 0.63 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.43 1why s THR 90 Cb -0.18 -1.00 0.41 0.00 1.34 0.00 0.00 72.50 73.07 1why s THR 90 CO 0.57 0.00 1.93 0.35 -0.54 0.00 0.00 174.62 176.92 1why n THR 91 N 0.14 0.00 -3.87 3.99 -2.24 -1.26 -4.48 114.28 106.55 1why n THR 91 Ca -0.14 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.27 1why n THR 91 Cb 0.61 -0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.38 1why n THR 91 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1why s ARG 92 N -2.66 2.47 0.02 -0.78 3.52 -1.26 -1.38 118.95 118.88 1why s ARG 92 Ca 0.24 -1.25 -0.06 0.00 -0.13 0.00 0.00 55.73 54.53 1why s ARG 92 Cb 0.20 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.30 1why s ARG 92 CO 0.50 -0.63 0.27 -0.51 -0.81 0.00 0.00 175.30 174.12 1why s LEU 93 N 1.28 4.36 -0.14 -0.88 1.43 0.26 -3.32 118.68 121.67 1why s LEU 93 Ca -0.04 0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1why s LEU 93 Cb -0.20 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1why s LEU 93 CO -0.00 0.23 -0.07 0.86 0.23 0.00 0.00 176.35 177.59 1why s TRP 94 N -1.35 2.94 -0.18 0.29 -0.00 -1.22 -0.70 118.94 118.72 1why s TRP 94 Ca 0.29 -0.37 0.01 0.00 -0.00 0.00 0.00 56.10 56.03 1why s TRP 94 Cb -0.13 -1.89 0.02 0.00 -0.00 0.00 0.00 33.47 31.46 1why s TRP 94 CO 0.18 -0.05 -0.18 0.08 -0.00 0.00 0.00 176.95 176.98 1why s VAL 95 N 0.22 2.22 0.21 5.86 1.01 0.94 -3.07 120.40 127.78 1why s VAL 95 Ca -0.04 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1why s VAL 95 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1why s VAL 95 CO 0.04 0.53 -0.17 -0.83 0.00 0.00 0.00 175.10 174.67 1why s GLY 96 N 1.28 1.50 0.00 4.51 0.00 -0.93 -1.34 107.32 112.34 1why s GLY 96 Ca 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.12 1why s GLY 96 CO -0.11 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 171.87 1why n GLY 97 N -0.22 1.34 3.67 0.20 0.00 -1.25 -3.13 105.19 105.81 1why n GLY 97 Ca -0.09 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1why n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1why s LEU 98 N -0.06 4.17 0.69 0.99 1.43 -1.26 -4.94 118.68 119.71 1why s LEU 98 Ca 0.00 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1why s LEU 98 Cb 0.00 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.79 1why s LEU 98 CO 0.00 -0.65 0.95 -0.83 0.23 0.00 0.00 176.35 176.05 1why s GLY 99 N 1.46 1.76 0.00 -3.19 0.00 -1.26 -4.96 107.32 101.13 1why s GLY 99 Ca 0.50 -1.74 0.15 0.00 0.00 0.00 0.00 44.72 43.63 1why s GLY 99 CO 0.13 -1.21 1.38 -1.55 0.00 0.00 0.00 173.10 171.84 1why n PRO 100 N -2.72 0.35 -0.12 2.90 -0.04 -1.26 -2.89 135.00 131.22 1why n PRO 100 Ca 0.14 0.07 -0.23 0.00 -0.04 0.00 0.00 63.50 63.45 1why n PRO 100 Cb 0.61 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 1why n PRO 100 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1why n ASN 101 N -1.14 1.98 -4.70 3.54 2.85 -1.26 -4.95 115.26 111.58 1why n ASN 101 Ca 0.09 0.09 -0.44 0.00 -0.11 0.00 0.00 54.58 54.22 1why n ASN 101 Cb 0.09 -0.63 -0.03 0.00 1.24 0.00 0.00 39.78 40.45 1why n ASN 101 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1why n THR 102 N -3.70 0.03 -5.07 -0.44 -1.04 -1.14 -4.99 114.28 97.93 1why n THR 102 Ca -0.47 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.21 1why n THR 102 Cb 0.94 -1.83 -0.14 0.00 -1.82 0.00 0.00 70.33 67.48 1why n THR 102 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1why s SER 103 N 1.21 3.59 0.05 8.00 0.01 -1.26 -4.80 113.70 120.51 1why s SER 103 Ca 0.77 -0.32 -0.12 0.00 1.31 0.00 0.00 55.95 57.59 1why s SER 103 Cb -0.57 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.97 1why s SER 103 CO 0.35 0.33 1.20 0.25 0.41 0.00 0.00 173.24 175.78 1why h LEU 104 N 5.45 -0.76 -0.79 2.44 5.85 -2.00 -1.25 115.31 124.26 1why h LEU 104 Ca -0.44 0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.48 1why h LEU 104 Cb 1.14 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 42.38 1why h LEU 104 CO 0.49 -0.12 -0.38 0.00 -0.34 0.00 0.00 178.44 178.08 1why n ALA 105 N -2.97 -0.29 -0.14 1.25 0.00 -1.26 -0.06 120.51 117.03 1why n ALA 105 Ca -0.00 0.73 -0.11 0.00 0.00 0.00 0.00 53.44 54.06 1why n ALA 105 Cb 0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 1why n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1why h ALA 106 N 0.75 -0.51 0.57 0.00 0.00 -1.67 -1.13 119.26 117.27 1why h ALA 106 Ca 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1why h ALA 106 Cb 0.40 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1why h ALA 106 CO -0.76 -0.91 -0.30 -0.07 0.00 0.00 0.00 179.25 177.20 1why h LEU 107 N -0.33 -0.73 -1.70 0.00 3.38 -0.01 -1.91 115.31 114.00 1why h LEU 107 Ca 0.13 0.03 0.38 0.00 0.09 0.00 0.00 57.88 58.51 1why h LEU 107 Cb 0.59 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1why h LEU 107 CO -0.60 -0.50 1.12 0.00 0.09 0.00 0.00 178.44 178.55 1why h ALA 108 N -0.39 3.22 0.22 1.53 0.00 -0.06 0.98 119.26 124.76 1why h ALA 108 Ca -0.07 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 1why h ALA 108 Cb 0.63 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.54 1why h ALA 108 CO 0.11 -1.80 -1.62 -0.09 0.00 0.00 0.00 179.25 175.84 1why h ARG 109 N 0.00 0.46 -0.47 0.00 1.12 -0.48 -1.92 114.38 113.08 1why h ARG 109 Ca 0.63 -0.78 -0.11 0.00 -1.11 0.00 0.00 59.98 58.61 1why h ARG 109 Cb 2.86 0.29 -0.01 0.00 -0.01 0.00 0.00 29.97 33.10 1why h ARG 109 CO -0.01 1.37 -0.14 0.93 -3.11 0.00 0.00 179.97 179.02 1why h GLU 110 N 0.11 0.93 -0.01 0.20 5.08 0.15 -2.65 114.58 118.39 1why h GLU 110 Ca -0.31 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 57.54 1why h GLU 110 Cb 2.12 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 31.33 1why h GLU 110 CO 0.22 1.03 -0.56 0.74 -1.00 0.00 0.00 179.01 179.43 1why h PHE 111 N 0.78 0.58 -0.98 4.33 0.04 -0.88 -3.26 116.94 117.54 1why h PHE 111 Ca 0.12 -0.31 0.17 0.00 2.80 0.00 0.00 57.97 60.75 1why h PHE 111 Cb 0.70 -0.07 -0.09 0.00 2.20 0.00 0.00 35.95 38.69 1why h PHE 111 CO 0.05 1.13 0.61 0.22 -0.60 0.00 0.00 178.31 179.72 1why h ASP 112 N -0.13 0.74 -0.99 2.17 1.82 -1.36 -2.50 116.42 116.17 1why h ASP 112 Ca -0.07 0.07 0.09 0.00 -0.39 0.00 0.00 57.03 56.73 1why h ASP 112 Cb 1.28 -0.07 -0.12 0.00 0.68 0.00 0.00 39.33 41.10 1why h ASP 112 CO 0.11 0.31 -0.58 0.54 -1.61 0.00 0.00 179.24 178.01 1why n ARG 113 N -4.67 -0.43 0.20 0.28 1.74 -1.00 -1.57 116.66 111.19 1why n ARG 113 Ca 0.21 1.49 -0.14 0.00 -0.77 0.00 0.00 57.85 58.65 1why n ARG 113 Cb 0.54 -2.20 -0.08 0.00 -1.02 0.00 0.00 32.46 29.71 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1why h PHE 114 N 0.00 -1.13 -2.29 -1.55 -1.00 -1.63 -3.47 116.94 105.87 1why h PHE 114 Ca 0.16 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.91 1why h PHE 114 Cb 0.41 0.45 -0.01 0.00 3.61 0.00 0.00 35.95 40.41 1why h PHE 114 CO -1.02 -0.52 -0.03 0.41 -1.61 0.00 0.00 178.31 175.55 1why n GLY 115 N -1.43 3.23 3.75 -1.45 0.00 -0.61 -5.01 105.19 103.67 1why n GLY 115 Ca -0.09 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 1why n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why s SER 116 N -1.29 7.46 -0.15 1.61 0.01 -1.26 -4.05 113.70 116.03 1why s SER 116 Ca 0.04 1.74 -0.09 0.00 1.31 0.00 0.00 55.95 58.95 1why s SER 116 Cb -0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1why s SER 116 CO 0.03 0.10 0.16 -0.63 0.41 0.00 0.00 173.24 173.31 1why s ILE 117 N -0.70 5.44 -0.09 1.44 1.01 -1.26 -2.73 121.20 124.31 1why s ILE 117 Ca 0.40 0.25 -0.09 0.00 0.00 0.00 0.00 60.65 61.22 1why s ILE 117 Cb -0.24 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 1why s ILE 117 CO 0.28 0.54 0.28 -0.09 0.00 0.00 0.00 174.94 175.95 1why h ARG 118 N 5.69 -0.08 -2.80 2.79 1.12 -1.09 -3.48 114.38 116.54 1why h ARG 118 Ca -0.49 0.01 0.07 0.00 -1.11 0.00 0.00 59.98 58.46 1why h ARG 118 Cb 1.20 0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 31.09 1why h ARG 118 CO 0.66 0.15 0.30 -0.08 -3.11 0.00 0.00 179.97 177.89 1why s THR 119 N -2.05 0.00 -0.02 0.20 -1.32 -1.26 -5.01 115.64 106.19 1why s THR 119 Ca -0.05 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1why s THR 119 Cb -0.00 -1.63 0.02 0.00 -1.51 0.00 0.00 72.50 69.37 1why s THR 119 CO 0.19 0.00 0.01 -0.63 -2.21 0.00 0.00 174.62 171.97 1why s ILE 120 N -3.67 0.06 -0.10 5.08 1.01 -1.26 -3.07 121.20 119.26 1why s ILE 120 Ca 0.08 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.63 1why s ILE 120 Cb -0.03 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1why s ILE 120 CO -0.01 0.08 0.47 -1.81 0.00 0.00 0.00 174.94 173.67 1why s ASP 121 N 0.65 6.71 -0.21 3.58 1.11 -1.20 -4.94 116.67 122.38 1why s ASP 121 Ca -0.06 0.84 -0.04 0.00 0.18 0.00 0.00 52.55 53.47 1why s ASP 121 Cb -0.09 -2.28 -0.01 0.00 1.07 0.00 0.00 42.92 41.61 1why s ASP 121 CO -0.02 0.05 -0.04 -2.28 1.18 0.00 0.00 175.17 174.07 1why s HIS 122 N 0.36 2.97 -0.16 4.23 2.46 -1.26 -4.04 115.29 119.84 1why s HIS 122 Ca 0.26 -0.78 -0.06 0.00 0.47 0.00 0.00 55.06 54.95 1why s HIS 122 Cb -0.15 -2.08 0.08 0.00 -0.13 0.00 0.00 32.58 30.29 1why s HIS 122 CO 0.11 -0.43 0.34 0.54 -2.47 0.00 0.00 174.74 172.82 1why s VAL 123 N 1.26 -0.48 -0.05 0.89 0.11 -1.25 -5.03 120.40 115.85 1why s VAL 123 Ca 0.03 0.22 -0.06 0.00 -2.93 0.00 0.00 61.98 59.23 1why s VAL 123 Cb -0.14 -0.55 -0.29 0.00 -1.53 0.00 0.00 36.38 33.87 1why s VAL 123 CO -0.01 0.09 0.67 0.50 -3.33 0.00 0.00 175.10 173.02 1why h LYS 124 N 8.13 0.31 -0.57 1.54 1.63 -1.96 -0.92 116.57 124.73 1why h LYS 124 Ca -0.17 -0.52 0.11 0.00 -0.85 0.00 0.00 60.65 59.22 1why h LYS 124 Cb 1.12 0.19 -0.11 0.00 -0.60 0.00 0.00 32.23 32.83 1why h LYS 124 CO 0.15 1.19 -0.24 0.78 -3.45 0.00 0.00 179.45 177.88 1why h GLY 125 N 1.22 0.16 0.27 5.01 0.00 -1.99 -2.83 103.07 104.91 1why h GLY 125 Ca -0.33 0.31 -0.29 0.00 0.00 0.00 0.00 47.33 47.03 1why h GLY 125 CO 0.15 -0.23 -2.12 1.22 0.00 0.00 0.00 176.54 175.56 1why n ASP 126 N -5.43 0.24 -1.77 0.19 8.00 -1.26 -5.02 116.55 111.50 1why n ASP 126 Ca 0.05 0.11 -0.07 0.00 0.71 0.00 0.00 54.79 55.59 1why n ASP 126 Cb 0.34 0.87 0.03 0.00 -0.02 0.00 0.00 41.12 42.34 1why n ASP 126 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1why n SER 127 N -2.75 -2.72 -4.31 -2.24 2.88 -0.36 -4.95 113.62 99.18 1why n SER 127 Ca -0.24 -0.21 -0.27 0.00 -1.33 0.00 0.00 58.87 56.82 1why n SER 127 Cb 1.03 -2.17 -0.14 0.00 -0.75 0.00 0.00 64.21 62.18 1why n SER 127 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1why s PHE 128 N -3.12 2.05 -0.02 0.66 -0.12 -1.18 -3.86 117.98 112.38 1why s PHE 128 Ca 0.09 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 1why s PHE 128 Cb -0.04 -1.18 0.03 0.00 -0.63 0.00 0.00 43.02 41.20 1why s PHE 128 CO 0.27 0.18 0.01 0.00 -0.05 0.00 0.00 175.22 175.62 1why s ALA 129 N -0.93 0.24 -0.20 1.99 0.00 -0.45 -3.80 121.76 118.60 1why s ALA 129 Ca 0.10 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 1why s ALA 129 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1why s ALA 129 CO 0.03 -0.07 -0.01 0.71 0.00 0.00 0.00 175.76 176.43 1why s TYR 130 N 0.93 3.02 -0.20 0.00 2.02 -1.26 -0.04 117.35 121.82 1why s TYR 130 Ca -0.09 -0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 56.02 1why s TYR 130 Cb -0.12 -2.09 -0.02 0.00 -0.40 0.00 0.00 41.96 39.33 1why s TYR 130 CO -0.02 -0.30 -0.02 0.42 -1.57 0.00 0.00 175.55 174.06 1why s ILE 131 N 1.11 3.71 -0.02 2.71 1.01 0.12 -3.20 121.20 126.63 1why s ILE 131 Ca 0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 1why s ILE 131 Cb -0.14 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1why s ILE 131 CO 0.01 0.44 0.08 -1.58 0.00 0.00 0.00 174.94 173.89 1why s GLN 132 N 1.05 3.09 0.02 2.79 2.00 -1.17 -0.58 119.66 126.87 1why s GLN 132 Ca 0.01 -0.45 0.09 0.00 -2.00 0.00 0.00 55.36 53.01 1why s GLN 132 Cb -0.14 -2.88 -0.03 0.00 0.80 0.00 0.00 33.01 30.76 1why s GLN 132 CO 0.01 0.66 -0.26 0.71 -0.50 0.00 0.00 175.29 175.91 1why s TYR 133 N -1.16 2.34 0.13 1.67 1.51 -0.48 -0.43 117.35 120.94 1why s TYR 133 Ca 0.22 -0.41 0.34 0.00 -1.01 0.00 0.00 57.07 56.21 1why s TYR 133 Cb -0.12 -1.43 1.53 0.00 -0.11 0.00 0.00 41.96 41.82 1why s TYR 133 CO 0.12 0.08 2.02 0.93 -1.11 0.00 0.00 175.55 177.59 1why h GLU 134 N 5.01 0.00 -3.61 -0.62 4.39 -1.85 -3.41 114.58 114.49 1why h GLU 134 Ca -0.45 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 58.84 1why h GLU 134 Cb 1.14 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 29.41 1why h GLU 134 CO 0.45 0.00 -0.76 -1.12 -1.16 0.00 0.00 179.01 176.42 1why s SER 135 N -5.34 1.26 0.09 1.42 0.01 -1.26 -5.06 113.70 104.82 1why s SER 135 Ca 0.00 -0.03 -0.25 0.00 1.31 0.00 0.00 55.95 56.98 1why s SER 135 Cb 0.10 -0.32 -0.10 0.00 0.21 0.00 0.00 66.02 65.91 1why s SER 135 CO 0.48 -0.19 1.41 0.25 0.41 0.00 0.00 173.24 175.61 1why h LEU 136 N 8.14 -1.32 -0.71 2.44 6.46 -1.91 -1.02 115.31 127.39 1why h LEU 136 Ca -0.22 0.16 0.19 0.00 -0.12 0.00 0.00 57.88 57.89 1why h LEU 136 Cb 1.13 0.52 -0.13 0.00 -0.73 0.00 0.00 40.66 41.44 1why h LEU 136 CO 0.27 -0.36 -0.00 0.47 -0.62 0.00 0.00 178.44 178.20 1why n ASP 137 N -4.72 -0.10 -0.13 1.25 9.92 -1.26 0.22 116.55 121.73 1why n ASP 137 Ca -0.04 1.21 -0.09 0.00 -0.53 0.00 0.00 54.79 55.34 1why n ASP 137 Cb 0.28 -0.44 -0.01 0.00 -0.64 0.00 0.00 41.12 40.31 1why n ASP 137 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1why h ALA 138 N 1.43 0.49 -0.04 2.24 0.00 -1.60 -2.97 119.26 118.81 1why h ALA 138 Ca 0.43 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1why h ALA 138 Cb 0.86 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1why h ALA 138 CO -0.68 0.13 -0.24 0.00 0.00 0.00 0.00 179.25 178.46 1why h ALA 139 N 0.97 -0.29 -0.56 0.00 0.00 0.33 -2.41 119.26 117.30 1why h ALA 139 Ca 0.12 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1why h ALA 139 Cb 0.24 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 1why h ALA 139 CO -0.01 -0.73 -0.15 1.96 0.00 0.00 0.00 179.25 180.32 1why h GLN 140 N -0.36 -0.01 -0.71 0.00 4.20 -1.26 -0.51 115.11 116.47 1why h GLN 140 Ca 0.07 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.88 1why h GLN 140 Cb 0.46 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.13 1why h GLN 140 CO -0.25 -0.01 -0.47 0.00 -0.67 0.00 0.00 178.83 177.43 1why h ALA 141 N 1.52 -0.34 -0.25 3.87 0.00 -1.27 -0.50 119.26 122.29 1why h ALA 141 Ca 0.27 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1why h ALA 141 Cb 0.42 1.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1why h ALA 141 CO -0.58 -0.85 0.12 0.00 0.00 0.00 0.00 179.25 177.94 1why h ALA 142 N 0.64 0.32 -1.29 0.00 0.00 -1.22 -0.37 119.26 117.33 1why h ALA 142 Ca 0.19 -0.09 0.39 0.00 0.00 0.00 0.00 54.91 55.40 1why h ALA 142 Cb 0.54 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 1why h ALA 142 CO -0.77 -0.13 0.86 0.00 0.00 0.00 0.00 179.25 179.22 1why n ALA 144 N -2.59 0.14 -0.27 0.00 0.00 -0.68 -3.48 120.51 113.63 1why n ALA 144 Ca 0.33 -0.23 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 1why n ALA 144 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.77 1why n ALA 144 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1why h LYS 145 N -0.31 -0.11 -0.71 0.00 6.56 -0.85 0.56 116.57 121.71 1why h LYS 145 Ca 0.00 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.67 1why h LYS 145 Cb 0.16 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.80 1why h LYS 145 CO 0.00 -0.08 0.47 0.52 -2.06 0.00 0.00 179.45 178.30 1why h MET 146 N -0.12 0.70 -5.67 3.15 2.86 -0.45 -3.42 114.93 111.98 1why h MET 146 Ca 0.25 -0.04 -0.58 0.00 -2.06 0.00 0.00 59.70 57.27 1why h MET 146 Cb 0.56 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1why h MET 146 CO -0.80 0.46 1.55 -2.13 1.06 0.00 0.00 176.91 177.06 1why n ARG 147 N -4.48 0.83 -0.81 1.72 0.63 0.20 -0.12 116.66 114.62 1why n ARG 147 Ca 0.11 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1why n ARG 147 Cb 0.24 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.64 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1why n GLY 148 N 6.40 1.33 3.76 5.14 0.00 -1.20 -4.98 105.19 115.64 1why n GLY 148 Ca 0.46 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1why n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1why s PHE 149 N -2.02 3.45 -2.00 1.61 5.36 0.83 -4.85 117.98 120.35 1why s PHE 149 Ca 0.00 1.65 0.07 0.00 -0.96 0.00 0.00 56.93 57.70 1why s PHE 149 Cb 0.00 -3.32 0.45 0.00 -0.34 0.00 0.00 43.02 39.81 1why s PHE 149 CO 0.00 -0.75 0.90 -0.35 -1.46 0.00 0.00 175.22 173.55 1why n PRO 150 N 0.95 0.49 -1.01 10.12 -0.04 -1.26 -2.91 135.00 141.33 1why n PRO 150 Ca -0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 1why n PRO 150 Cb 0.45 -1.24 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 1why n PRO 150 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1why n LEU 151 N -0.74 -0.11 0.00 1.53 -0.00 -1.26 -3.72 117.00 112.70 1why n LEU 151 Ca 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1why n LEU 151 Cb 0.03 -0.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1why n LEU 151 CO 0.04 -0.61 0.00 0.61 -0.00 0.00 0.00 177.39 177.44 1why n GLY 152 N 4.19 0.62 3.66 -3.96 0.00 -1.26 -4.50 105.19 103.94 1why n GLY 152 Ca 0.45 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 1why n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 153 N 0.00 2.10 0.02 -0.02 0.00 -1.24 -4.98 105.19 101.07 1why n GLY 153 Ca 0.00 -2.23 0.08 0.00 0.00 0.00 0.00 46.02 43.86 1why n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 154 N -2.11 0.03 -0.09 1.61 -0.04 -1.26 -2.88 135.00 130.26 1why n PRO 154 Ca 0.12 0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 63.76 1why n PRO 154 Cb 0.57 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 1why n PRO 154 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1why n ASP 155 N -1.63 1.62 -4.61 3.54 8.00 -1.26 -4.91 116.55 117.30 1why n ASP 155 Ca 0.03 -0.05 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 1why n ASP 155 Cb 0.18 0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1why s ARG 156 N -2.41 3.89 0.05 -1.24 1.81 -1.14 -5.03 118.95 114.87 1why s ARG 156 Ca -0.18 0.67 0.07 0.00 -1.72 0.00 0.00 55.73 54.57 1why s ARG 156 Cb 0.06 -3.79 -0.02 0.00 -0.45 0.00 0.00 34.95 30.75 1why s ARG 156 CO 0.59 -0.93 -0.20 1.03 -0.68 0.00 0.00 175.30 175.10 1why s ARG 157 N 3.50 1.30 0.40 3.54 0.52 -1.26 -4.15 118.95 122.81 1why s ARG 157 Ca 0.39 -0.92 -0.24 0.00 -0.52 0.00 0.00 55.73 54.44 1why s ARG 157 Cb -0.12 -1.41 -0.09 0.00 0.52 0.00 0.00 34.95 33.85 1why s ARG 157 CO 0.18 0.36 1.07 -0.51 0.02 0.00 0.00 175.30 176.42 1why s LEU 158 N -1.20 4.15 -0.27 2.53 1.43 -1.15 -4.94 118.68 119.24 1why s LEU 158 Ca 0.06 2.09 0.01 0.00 -1.03 0.00 0.00 54.13 55.27 1why s LEU 158 Cb -0.09 -4.15 0.05 0.00 0.03 0.00 0.00 46.19 42.03 1why s LEU 158 CO 0.02 -0.53 -0.08 -0.13 0.23 0.00 0.00 176.35 175.86 1why s ARG 159 N -2.46 2.36 -0.14 1.70 3.00 -1.18 -3.27 118.95 118.96 1why s ARG 159 Ca 0.58 -1.29 0.01 0.00 0.00 0.00 0.00 55.73 55.03 1why s ARG 159 Cb -0.24 -2.97 -0.00 0.00 0.00 0.00 0.00 34.95 31.74 1why s ARG 159 CO 0.30 -0.56 -0.17 0.08 0.00 0.00 0.00 175.30 174.94 1why s VAL 160 N 1.16 2.57 -0.01 3.52 1.01 -1.26 -2.19 120.40 125.20 1why s VAL 160 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1why s VAL 160 Cb -0.19 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1why s VAL 160 CO -0.04 0.53 0.01 -0.62 0.00 0.00 0.00 175.10 174.97 1why s ASP 161 N 0.62 0.17 0.11 3.32 2.15 -1.18 -4.90 116.67 116.96 1why s ASP 161 Ca -0.09 -0.00 -0.33 0.00 0.43 0.00 0.00 52.55 52.55 1why s ASP 161 Cb -0.16 -0.08 -0.13 0.00 -0.30 0.00 0.00 42.92 42.26 1why s ASP 161 CO 0.03 -0.06 1.70 0.49 -0.17 0.00 0.00 175.17 177.16 1why n PHE 162 N 3.68 2.39 -4.12 -5.34 3.72 -1.26 -3.41 117.46 113.12 1why n PHE 162 Ca -0.21 0.12 -0.35 0.00 -0.05 0.00 0.00 57.45 56.96 1why n PHE 162 Cb 0.54 -2.61 -0.07 0.00 -0.94 0.00 0.00 39.48 36.39 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why s ALA 163 N 1.89 3.59 -0.10 4.37 0.00 -1.21 -4.98 121.76 125.32 1why s ALA 163 Ca 0.82 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.88 1why s ALA 163 Cb -0.63 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1why s ALA 163 CO 0.40 0.64 0.30 0.15 0.00 0.00 0.00 175.76 177.24 1why s LYS 164 N -1.24 3.96 0.03 0.00 1.02 -1.26 -4.76 119.74 117.49 1why s LYS 164 Ca 0.17 0.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.01 1why s LYS 164 Cb -0.12 -3.30 -0.17 0.00 -0.52 0.00 0.00 37.83 33.72 1why s LYS 164 CO 0.07 0.51 1.28 0.77 -0.92 0.00 0.00 175.35 177.06 1why h SER 165 N 5.64 -0.88 -5.33 2.83 0.02 -1.99 -3.48 113.55 110.36 1why h SER 165 Ca -0.48 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.39 1why h SER 165 Cb 1.20 0.23 -0.11 0.00 0.14 0.00 0.00 62.40 63.86 1why h SER 165 CO 0.67 -0.53 -0.24 -0.83 -1.14 0.00 0.00 176.83 174.76 1why s GLY 166 N -2.31 0.77 0.26 -3.77 0.00 -1.26 -5.03 107.32 95.98 1why s GLY 166 Ca -0.16 -1.09 0.23 0.00 0.00 0.00 0.00 44.72 43.71 1why s GLY 166 CO 0.49 -0.82 1.71 -1.55 0.00 0.00 0.00 173.10 172.93 1why n PRO 167 N -0.36 0.19 -3.60 2.90 -0.04 -1.26 -4.80 135.00 128.03 1why n PRO 167 Ca -0.01 0.43 -0.09 0.00 -0.04 0.00 0.00 63.50 63.79 1why n PRO 167 Cb 0.63 -1.87 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 1why n PRO 167 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1why s SER 168 N -4.24 -0.31 0.43 3.54 1.04 -1.26 -5.18 113.70 107.72 1why s SER 168 Ca 0.04 0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.93 1why s SER 168 Cb 0.09 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1why s SER 168 CO 0.39 -0.25 0.22 -0.44 0.98 0.00 0.00 173.24 174.14 1why s SER 169 N -0.88 4.51 0.00 7.02 0.01 -1.26 -5.15 113.70 117.96 1why s SER 169 Ca 0.01 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1why s SER 169 Cb -0.01 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1why s SER 169 CO -0.02 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.60