#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgt s SER 69 N 0.00 -0.56 -0.30 1.61 1.04 -1.26 -5.16 113.70 109.07 2dgt s SER 69 Ca 0.00 0.38 -0.09 0.00 0.48 0.00 0.00 55.95 56.72 2dgt s SER 69 Cb 0.00 0.51 0.14 0.00 0.10 0.00 0.00 66.02 66.77 2dgt s SER 69 CO 0.00 -0.68 0.68 -0.55 0.98 0.00 0.00 173.24 173.67 2dgt s SER 70 N -1.79 -1.13 0.00 7.02 0.15 -1.26 -5.15 113.70 111.55 2dgt s SER 70 Ca -0.04 1.39 0.00 0.00 0.70 0.00 0.00 55.95 57.99 2dgt s SER 70 Cb -0.00 2.22 0.00 0.00 -1.71 0.00 0.00 66.02 66.53 2dgt s SER 70 CO -0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dgt n GLY 71 N 5.41 0.21 0.33 9.45 0.00 -1.26 -4.54 105.19 114.79 2dgt n GLY 71 Ca -0.10 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.24 2dgt n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dgt n SER 72 N -0.86 -0.13 -3.86 1.61 2.88 -1.26 -4.78 113.62 107.23 2dgt n SER 72 Ca 0.00 1.62 -0.28 0.00 -1.33 0.00 0.00 58.87 58.88 2dgt n SER 72 Cb 0.00 -0.58 0.03 0.00 -0.75 0.00 0.00 64.21 62.91 2dgt n SER 72 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dgt n SER 73 N -5.43 -4.46 -4.66 -3.46 2.88 -1.26 -4.93 113.62 92.31 2dgt n SER 73 Ca 0.22 -0.76 -0.41 0.00 -1.33 0.00 0.00 58.87 56.59 2dgt n SER 73 Cb 0.72 -4.02 -0.05 0.00 -0.75 0.00 0.00 64.21 60.10 2dgt n SER 73 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dgt s GLY 74 N -3.46 2.02 -0.79 0.46 0.00 -1.26 -5.01 107.32 99.28 2dgt s GLY 74 Ca 0.57 -0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.94 2dgt s GLY 74 CO 0.82 1.45 0.77 0.54 0.00 0.00 0.00 173.10 176.68 2dgt s LYS 75 N 2.09 3.49 0.02 2.90 -0.14 -1.26 -4.73 119.74 122.10 2dgt s LYS 75 Ca 0.31 -2.21 0.00 0.00 -1.36 0.00 0.00 55.97 52.71 2dgt s LYS 75 Cb -0.16 -4.46 0.00 0.00 -1.68 0.00 0.00 37.83 31.53 2dgt s LYS 75 CO 0.10 -1.37 0.00 0.00 -0.76 0.00 0.00 175.35 173.33 2dgt n ALA 76 N 4.58 3.00 -3.69 5.17 0.00 -1.26 -5.14 120.51 123.17 2dgt n ALA 76 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2dgt n ALA 76 Cb 0.46 0.39 0.01 0.00 0.00 0.00 0.00 19.45 20.30 2dgt n ALA 76 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dgt s SER 77 N -5.11 0.06 0.04 0.00 1.04 -1.25 -4.85 113.70 103.63 2dgt s SER 77 Ca 0.00 -1.09 -0.02 0.00 0.48 0.00 0.00 55.95 55.33 2dgt s SER 77 Cb 0.00 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.89 2dgt s SER 77 CO 0.00 -1.57 -0.01 0.42 0.98 0.00 0.00 173.24 173.06 2dgt s THR 78 N -2.73 0.19 0.05 2.02 -4.23 0.81 -4.91 115.64 106.84 2dgt s THR 78 Ca 0.17 -1.53 0.05 0.00 -1.18 0.00 0.00 61.69 59.19 2dgt s THR 78 Cb -0.05 -1.20 -0.02 0.00 1.34 0.00 0.00 72.50 72.57 2dgt s THR 78 CO 0.12 -0.85 -0.14 -0.75 -0.54 0.00 0.00 174.62 172.46 2dgt s LYS 79 N -3.30 0.88 -0.17 3.99 2.47 -1.26 0.12 119.74 122.48 2dgt s LYS 79 Ca 0.01 -0.80 -0.02 0.00 -1.56 0.00 0.00 55.97 53.60 2dgt s LYS 79 Cb 0.03 -0.89 0.05 0.00 -1.46 0.00 0.00 37.83 35.57 2dgt s LYS 79 CO -0.08 0.21 0.00 -0.51 0.16 0.00 0.00 175.35 175.14 2dgt s LEU 80 N -1.29 1.27 0.21 5.43 1.43 -0.04 -2.79 118.68 122.89 2dgt s LEU 80 Ca 0.00 -0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 52.20 2dgt s LEU 80 Cb -0.08 -0.68 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 2dgt s LEU 80 CO 0.01 -0.25 0.77 -2.28 0.23 0.00 0.00 176.35 174.84 2dgt s HIS 81 N 1.79 3.78 0.03 0.29 5.65 0.25 -0.53 115.29 126.55 2dgt s HIS 81 Ca 0.00 1.55 0.05 0.00 0.25 0.00 0.00 55.06 56.92 2dgt s HIS 81 Cb -0.16 -2.72 -0.02 0.00 -1.18 0.00 0.00 32.58 28.50 2dgt s HIS 81 CO -0.07 0.41 -0.16 0.08 -0.65 0.00 0.00 174.74 174.35 2dgt s VAL 82 N -1.36 1.24 0.20 0.89 1.01 0.45 -1.03 120.40 121.80 2dgt s VAL 82 Ca 0.40 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2dgt s VAL 82 Cb -0.20 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2dgt s VAL 82 CO 0.24 0.12 -0.06 -0.83 0.00 0.00 0.00 175.10 174.56 2dgt s GLY 83 N -0.98 1.37 -1.00 4.51 0.00 -0.37 -0.09 107.32 110.77 2dgt s GLY 83 Ca 0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 44.72 43.08 2dgt s GLY 83 CO 0.01 -1.66 0.85 -2.01 0.00 0.00 0.00 173.10 170.28 2dgt n ASN 84 N -0.34 -3.50 -4.91 1.64 5.15 0.60 -1.88 115.26 112.01 2dgt n ASN 84 Ca -0.07 -0.57 -0.27 0.00 -0.60 0.00 0.00 54.58 53.07 2dgt n ASN 84 Cb 0.62 -4.56 0.02 0.00 -0.53 0.00 0.00 39.78 35.33 2dgt n ASN 84 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2dgt s ILE 85 N -3.32 4.09 0.15 -1.44 -1.09 -0.42 -4.22 121.20 114.95 2dgt s ILE 85 Ca 0.15 0.11 -0.03 0.00 -2.23 0.00 0.00 60.65 58.65 2dgt s ILE 85 Cb -0.02 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.21 2dgt s ILE 85 CO 0.64 -0.62 0.37 -0.44 -1.23 0.00 0.00 174.94 173.66 2dgt s SER 86 N -4.24 6.45 0.47 3.58 0.01 -1.26 -4.69 113.70 114.02 2dgt s SER 86 Ca 0.52 0.52 0.26 0.00 1.31 0.00 0.00 55.95 58.55 2dgt s SER 86 Cb -0.10 -2.06 1.10 0.00 0.21 0.00 0.00 66.02 65.16 2dgt s SER 86 CO 0.46 0.03 1.90 1.55 0.41 0.00 0.00 173.24 177.59 2dgt h PRO 87 N 2.62 0.00 -0.25 12.44 0.13 -1.95 -2.53 132.00 142.46 2dgt h PRO 87 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2dgt h PRO 87 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2dgt h PRO 87 CO 0.72 0.18 0.00 0.25 -0.23 0.00 0.00 178.00 178.92 2dgt n THR 88 N -3.42 0.31 -1.95 1.56 -2.24 -1.26 -4.95 114.28 102.34 2dgt n THR 88 Ca -0.00 -0.56 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 2dgt n THR 88 Cb 0.37 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 2dgt n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dgt s THR 90 N 0.24 4.81 0.57 0.00 -4.23 -1.26 -4.96 115.64 110.81 2dgt s THR 90 Ca 0.62 -0.03 0.34 0.00 -1.18 0.00 0.00 61.69 61.45 2dgt s THR 90 Cb -0.44 -3.16 0.50 0.00 1.34 0.00 0.00 72.50 70.74 2dgt s THR 90 CO 0.42 0.46 1.67 -1.13 -0.54 0.00 0.00 174.62 175.50 2dgt h ASN 91 N 6.65 0.00 0.78 3.99 -0.00 -1.96 1.26 115.58 126.29 2dgt h ASN 91 Ca -0.37 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 55.69 2dgt h ASN 91 Cb 1.17 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.48 2dgt h ASN 91 CO 0.70 0.00 -1.10 1.56 -0.00 0.00 0.00 177.43 178.60 2dgt h GLN 92 N 0.00 0.15 -0.33 6.67 1.08 -1.96 -2.92 115.11 117.79 2dgt h GLN 92 Ca 0.52 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 57.41 2dgt h GLN 92 Cb 2.38 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 29.89 2dgt h GLN 92 CO -0.01 1.10 -0.03 0.93 -0.95 0.00 0.00 178.83 179.87 2dgt h GLU 93 N 0.05 0.61 0.68 1.46 4.39 0.12 -2.34 114.58 119.54 2dgt h GLU 93 Ca -0.07 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.38 2dgt h GLU 93 Cb 1.83 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 30.44 2dgt h GLU 93 CO 0.17 0.76 -0.32 1.25 -1.16 0.00 0.00 179.01 179.70 2dgt h LEU 94 N 0.41 -0.77 -0.25 1.33 5.85 -1.50 -2.95 115.31 117.44 2dgt h LEU 94 Ca 0.09 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2dgt h LEU 94 Cb 0.51 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2dgt h LEU 94 CO 0.02 -0.40 -0.37 -0.09 -0.34 0.00 0.00 178.44 177.26 2dgt h ARG 95 N -1.19 -0.27 -0.95 1.25 2.43 -1.59 -1.59 114.38 112.47 2dgt h ARG 95 Ca -0.09 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.23 2dgt h ARG 95 Cb 0.72 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.19 2dgt h ARG 95 CO 0.15 -0.18 -0.42 0.00 -1.51 0.00 0.00 179.97 178.02 2dgt n ALA 96 N -2.94 -0.24 -0.24 2.80 0.00 -0.88 0.74 120.51 119.75 2dgt n ALA 96 Ca -0.03 0.91 0.04 0.00 0.00 0.00 0.00 53.44 54.36 2dgt n ALA 96 Cb 0.23 -0.35 0.16 0.00 0.00 0.00 0.00 19.45 19.48 2dgt n ALA 96 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dgt h LYS 97 N 0.00 0.38 0.00 0.00 3.64 -1.14 0.21 116.57 119.66 2dgt h LYS 97 Ca 0.29 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 2dgt h LYS 97 Cb 0.52 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2dgt h LYS 97 CO -0.93 0.25 -0.27 0.74 -2.27 0.00 0.00 179.45 176.97 2dgt h PHE 98 N 0.39 0.00 0.00 1.91 0.04 0.12 -2.78 116.94 116.62 2dgt h PHE 98 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2dgt h PHE 98 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 2dgt h PHE 98 CO -0.19 0.27 0.00 0.93 -0.60 0.00 0.00 178.31 178.72 2dgt h GLU 99 N 0.00 0.00 -0.09 1.51 5.08 0.34 -3.01 114.58 118.41 2dgt h GLU 99 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dgt h GLU 99 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 2dgt h GLU 99 CO 0.03 0.00 0.06 0.93 -1.00 0.00 0.00 179.01 179.04 2dgt h GLU 100 N 0.00 0.11 0.00 2.33 5.08 -1.06 -3.07 114.58 117.97 2dgt h GLU 100 Ca 0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2dgt h GLU 100 Cb 0.62 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2dgt h GLU 100 CO 0.00 0.07 -0.58 1.88 -1.00 0.00 0.00 179.01 179.38 2dgt h TYR 101 N 0.11 0.00 -3.87 4.33 -1.99 -1.72 -3.50 116.97 110.34 2dgt h TYR 101 Ca 0.03 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.65 2dgt h TYR 101 Cb 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 36.73 38.63 2dgt h TYR 101 CO -0.00 0.89 -0.22 0.20 -0.00 0.00 0.00 178.16 179.03 2dgt s GLY 102 N -4.38 0.79 -0.92 3.88 0.00 -1.16 -4.88 107.32 100.65 2dgt s GLY 102 Ca -0.20 -1.09 -0.24 0.00 0.00 0.00 0.00 44.72 43.19 2dgt s GLY 102 CO 0.48 -0.81 1.94 2.56 0.00 0.00 0.00 173.10 177.28 2dgt s PRO 103 N -3.95 2.56 0.83 2.90 0.04 -1.26 -4.09 135.00 132.02 2dgt s PRO 103 Ca 0.26 -0.34 -0.14 0.00 0.04 0.00 0.00 61.00 60.82 2dgt s PRO 103 Cb 0.01 -5.07 0.03 0.00 0.04 0.00 0.00 34.50 29.51 2dgt s PRO 103 CO 0.11 -3.40 0.75 0.28 0.04 0.00 0.00 177.00 174.77 2dgt n VAL 104 N 7.87 1.29 -0.08 -0.36 0.31 -1.26 -4.17 118.33 121.92 2dgt n VAL 104 Ca 0.40 -0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.34 2dgt n VAL 104 Cb 0.47 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.48 2dgt n VAL 104 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2dgt n ILE 105 N -3.12 1.36 -3.69 2.52 5.41 0.10 -4.90 119.36 117.04 2dgt n ILE 105 Ca 0.10 -0.01 -0.11 0.00 1.00 0.00 0.00 62.75 63.73 2dgt n ILE 105 Cb 0.51 -2.04 -0.11 0.00 -0.71 0.00 0.00 39.64 37.29 2dgt n ILE 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2dgt s GLU 106 N -2.60 0.30 -0.01 0.38 -1.05 -1.14 -5.01 118.70 109.57 2dgt s GLU 106 Ca -0.26 0.80 0.07 0.00 -0.15 0.00 0.00 54.97 55.43 2dgt s GLU 106 Cb 0.07 0.05 -0.02 0.00 -0.44 0.00 0.00 34.13 33.78 2dgt s GLU 106 CO 0.36 -0.21 -0.23 0.00 0.95 0.00 0.00 175.26 176.14 2dgt s ASP 108 N -0.82 -0.11 0.14 0.00 1.01 -0.82 -5.01 116.67 111.05 2dgt s ASP 108 Ca 0.11 0.23 0.02 0.00 0.71 0.00 0.00 52.55 53.62 2dgt s ASP 108 Cb -0.10 0.21 -0.04 0.00 1.01 0.00 0.00 42.92 44.00 2dgt s ASP 108 CO 0.00 -0.06 0.28 -0.63 0.21 0.00 0.00 175.17 174.97 2dgt s ILE 109 N 0.32 5.33 0.29 0.77 1.01 -1.26 -1.47 121.20 126.18 2dgt s ILE 109 Ca -0.02 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.05 2dgt s ILE 109 Cb -0.03 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2dgt s ILE 109 CO -0.01 -0.06 0.15 -0.69 0.00 0.00 0.00 174.94 174.33 2dgt s VAL 110 N -1.71 0.35 0.00 2.92 1.01 0.33 -4.93 120.40 118.37 2dgt s VAL 110 Ca 0.35 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.33 2dgt s VAL 110 Cb -0.11 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2dgt s VAL 110 CO 0.28 0.00 0.52 0.29 0.00 0.00 0.00 175.10 176.20 2dgt n LYS 111 N -0.55 0.00 -0.07 2.72 4.01 -1.26 -3.30 118.16 119.71 2dgt n LYS 111 Ca 0.01 0.52 0.05 0.00 -0.51 0.00 0.00 58.31 58.38 2dgt n LYS 111 Cb 0.65 -0.88 0.07 0.00 -0.51 0.00 0.00 35.03 34.36 2dgt n LYS 111 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2dgt n ASP 112 N -1.72 1.94 -3.75 4.39 5.68 -1.26 -4.64 116.55 117.19 2dgt n ASP 112 Ca 0.00 -2.50 -0.15 0.00 -0.50 0.00 0.00 54.79 51.64 2dgt n ASP 112 Cb 0.00 -0.23 -0.08 0.00 -1.14 0.00 0.00 41.12 39.67 2dgt n ASP 112 CO 0.00 0.00 0.00 -0.72 -1.33 0.00 0.00 177.20 175.15 2dgt s TYR 113 N -1.83 1.32 0.30 2.11 1.13 -1.21 0.22 117.35 119.40 2dgt s TYR 113 Ca 0.16 -1.43 -0.16 0.00 -1.41 0.00 0.00 57.07 54.23 2dgt s TYR 113 Cb 0.14 -0.51 0.02 0.00 -1.10 0.00 0.00 41.96 40.52 2dgt s TYR 113 CO 0.02 -0.81 0.66 0.00 -2.51 0.00 0.00 175.55 172.90 2dgt s ALA 114 N -3.74 -0.72 -0.15 9.51 0.00 0.87 0.12 121.76 127.65 2dgt s ALA 114 Ca 0.37 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 2dgt s ALA 114 Cb 0.04 0.88 0.07 0.00 0.00 0.00 0.00 23.12 24.12 2dgt s ALA 114 CO 0.19 -0.96 0.26 -0.06 0.00 0.00 0.00 175.76 175.18 2dgt s PHE 115 N -3.49 -0.41 -0.34 0.00 0.40 -0.54 -0.42 117.98 113.19 2dgt s PHE 115 Ca 0.16 0.80 -0.08 0.00 -0.60 0.00 0.00 56.93 57.21 2dgt s PHE 115 Cb -0.04 -0.11 0.03 0.00 0.51 0.00 0.00 43.02 43.41 2dgt s PHE 115 CO 0.10 -0.42 0.13 0.08 0.70 0.00 0.00 175.22 175.80 2dgt s VAL 116 N 2.40 4.10 -0.60 -0.44 1.01 0.31 -1.95 120.40 125.24 2dgt s VAL 116 Ca 0.03 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 2dgt s VAL 116 Cb -0.13 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.03 2dgt s VAL 116 CO -0.10 -0.12 1.18 -2.28 0.00 0.00 0.00 175.10 173.79 2dgt s HIS 117 N 1.48 2.58 0.45 5.22 2.46 0.93 -0.86 115.29 127.55 2dgt s HIS 117 Ca 0.01 0.31 -0.02 0.00 0.47 0.00 0.00 55.06 55.82 2dgt s HIS 117 Cb -0.19 -4.49 -0.02 0.00 -0.13 0.00 0.00 32.58 27.75 2dgt s HIS 117 CO 0.04 -1.64 0.70 -1.64 -2.47 0.00 0.00 174.74 169.74 2dgt s MET 118 N 4.97 3.30 -0.12 2.88 -1.94 0.33 0.01 119.30 128.72 2dgt s MET 118 Ca 0.41 -0.18 -0.09 0.00 -1.71 0.00 0.00 55.69 54.12 2dgt s MET 118 Cb -0.08 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.24 2dgt s MET 118 CO 0.23 -0.20 -0.18 -1.91 -0.01 0.00 0.00 175.02 172.95 2dgt n GLU 119 N -2.12 0.39 -3.91 2.03 2.13 -1.26 -0.14 120.64 117.76 2dgt n GLU 119 Ca -0.00 0.41 -0.33 0.00 0.66 0.00 0.00 57.16 57.90 2dgt n GLU 119 Cb 0.56 -1.47 -0.05 0.00 0.27 0.00 0.00 31.44 30.76 2dgt n GLU 119 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2dgt s ARG 120 N -2.16 3.44 0.04 5.31 1.81 -1.26 -3.81 118.95 122.32 2dgt s ARG 120 Ca -0.15 -0.35 -0.22 0.00 -1.72 0.00 0.00 55.73 53.29 2dgt s ARG 120 Cb 0.02 -3.08 -0.14 0.00 -0.45 0.00 0.00 34.95 31.30 2dgt s ARG 120 CO 0.22 0.66 1.44 0.00 -0.68 0.00 0.00 175.30 176.94 2dgt h ALA 121 N 3.63 0.16 -1.28 2.13 0.00 -1.93 -1.89 119.26 120.08 2dgt h ALA 121 Ca -0.48 -0.21 0.37 0.00 0.00 0.00 0.00 54.91 54.59 2dgt h ALA 121 Cb 1.18 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2dgt h ALA 121 CO 0.71 -0.11 0.90 0.93 0.00 0.00 0.00 179.25 181.67 2dgt h GLU 122 N -0.08 0.08 0.13 0.00 4.39 -1.99 0.42 114.58 117.53 2dgt h GLU 122 Ca 0.03 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.44 2dgt h GLU 122 Cb 0.42 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2dgt h GLU 122 CO 0.01 0.05 -1.43 -0.44 -1.16 0.00 0.00 179.01 176.04 2dgt h ASP 123 N 0.08 0.44 0.72 1.42 3.32 -1.85 -3.28 116.42 117.26 2dgt h ASP 123 Ca 0.65 -0.88 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 2dgt h ASP 123 Cb 2.36 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 41.78 2dgt h ASP 123 CO -0.10 1.64 -0.35 0.00 -1.72 0.00 0.00 179.24 178.71 2dgt h ALA 124 N -0.01 -0.97 -0.97 3.45 0.00 0.13 -0.62 119.26 120.28 2dgt h ALA 124 Ca -0.30 -0.22 0.27 0.00 0.00 0.00 0.00 54.91 54.65 2dgt h ALA 124 Cb 1.82 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.85 2dgt h ALA 124 CO 0.09 -0.96 0.50 0.28 0.00 0.00 0.00 179.25 179.16 2dgt h VAL 125 N -1.13 0.41 0.02 0.00 2.07 -0.52 -0.24 116.25 116.87 2dgt h VAL 125 Ca -0.10 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2dgt h VAL 125 Cb 0.77 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2dgt h VAL 125 CO 0.16 0.07 -0.01 -0.33 0.02 0.00 0.00 177.57 177.49 2dgt h GLU 126 N 0.41 -0.03 -1.25 1.57 5.08 -1.59 -2.75 114.58 116.02 2dgt h GLU 126 Ca 0.65 0.00 0.36 0.00 -1.00 0.00 0.00 59.36 59.37 2dgt h GLU 126 Cb 1.34 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.53 2dgt h GLU 126 CO -0.56 0.40 0.87 0.00 -1.00 0.00 0.00 179.01 178.73 2dgt h ALA 127 N 0.48 2.94 0.07 3.43 0.00 0.58 -0.76 119.26 126.00 2dgt h ALA 127 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dgt h ALA 127 Cb 0.45 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2dgt h ALA 127 CO 0.01 -1.36 -0.04 0.82 0.00 0.00 0.00 179.25 178.68 2dgt h ILE 128 N 0.11 0.00 -0.20 0.00 2.04 -1.29 0.33 117.51 118.50 2dgt h ILE 128 Ca 0.64 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 66.25 2dgt h ILE 128 Cb 2.28 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2dgt h ILE 128 CO -0.13 0.00 0.77 -0.09 0.00 0.00 0.00 178.15 178.70 2dgt h ARG 129 N -0.41 0.00 0.00 2.37 2.43 -1.12 1.74 114.38 119.40 2dgt h ARG 129 Ca -0.01 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.72 2dgt h ARG 129 Cb 0.08 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 2dgt h ARG 129 CO 0.02 0.00 -2.40 0.41 -1.51 0.00 0.00 179.97 176.49 2dgt n GLY 130 N -1.45 -0.49 0.12 2.80 0.00 -0.34 -4.38 105.19 101.45 2dgt n GLY 130 Ca 0.04 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.07 2dgt n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dgt n LEU 131 N -4.20 0.38 -4.61 0.99 4.77 0.12 -4.76 117.00 109.70 2dgt n LEU 131 Ca -0.51 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 54.89 2dgt n LEU 131 Cb 0.87 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.93 2dgt n LEU 131 CO 0.07 0.07 1.18 1.51 -1.33 0.00 0.00 177.39 178.89 2dgt s ASP 132 N -1.82 6.44 -0.42 -1.43 -4.77 0.58 -3.44 116.67 111.81 2dgt s ASP 132 Ca 0.38 0.82 -0.00 0.00 -3.30 0.00 0.00 52.55 50.46 2dgt s ASP 132 Cb 0.18 -2.54 -0.00 0.00 -1.09 0.00 0.00 42.92 39.47 2dgt s ASP 132 CO 0.30 -1.34 0.35 0.59 0.70 0.00 0.00 175.17 175.77 2dgt n ASN 133 N 8.45 -2.17 -4.16 2.11 3.02 -1.02 -4.94 115.26 116.55 2dgt n ASN 133 Ca 0.15 -0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 2dgt n ASN 133 Cb 0.48 -2.13 -0.16 0.00 -0.61 0.00 0.00 39.78 37.36 2dgt n ASN 133 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2dgt s THR 134 N -3.13 2.30 -0.54 3.41 -4.23 -1.22 -4.92 115.64 107.32 2dgt s THR 134 Ca 0.02 -0.86 -0.35 0.00 -1.18 0.00 0.00 61.69 59.31 2dgt s THR 134 Cb -0.00 -1.98 -0.15 0.00 1.34 0.00 0.00 72.50 71.71 2dgt s THR 134 CO 0.26 0.52 2.31 1.21 -0.54 0.00 0.00 174.62 178.38 2dgt n GLU 135 N 4.58 0.60 -3.93 3.99 2.13 -1.26 -3.26 120.64 123.49 2dgt n GLU 135 Ca -0.20 0.13 -0.35 0.00 0.66 0.00 0.00 57.16 57.39 2dgt n GLU 135 Cb 0.50 -2.15 -0.13 0.00 0.27 0.00 0.00 31.44 29.93 2dgt n GLU 135 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2dgt s PHE 136 N 7.97 3.05 -0.93 4.31 2.19 0.96 -4.52 117.98 131.02 2dgt s PHE 136 Ca 1.16 -0.49 -0.00 0.00 0.33 0.00 0.00 56.93 57.93 2dgt s PHE 136 Cb -1.01 -2.15 0.00 0.00 -1.31 0.00 0.00 43.02 38.56 2dgt s PHE 136 CO 0.50 -0.32 0.01 1.04 1.83 0.00 0.00 175.22 178.29 2dgt n GLN 137 N 4.56 -2.35 0.00 10.12 1.13 -1.26 -0.12 117.38 129.45 2dgt n GLN 137 Ca -0.17 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 2dgt n GLN 137 Cb 0.51 -5.11 0.00 0.00 0.11 0.00 0.00 30.24 25.76 2dgt n GLN 137 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dgt n GLY 138 N -0.77 2.91 3.54 1.08 0.00 -1.26 -4.98 105.19 105.71 2dgt n GLY 138 Ca -0.12 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2dgt n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dgt s LYS 139 N 0.00 3.78 0.21 1.61 -2.85 0.83 -4.96 119.74 118.36 2dgt s LYS 139 Ca 0.00 -0.46 -0.30 0.00 -1.00 0.00 0.00 55.97 54.21 2dgt s LYS 139 Cb 0.00 -3.03 -0.09 0.00 -2.06 0.00 0.00 37.83 32.66 2dgt s LYS 139 CO 0.00 0.24 1.22 0.50 0.10 0.00 0.00 175.35 177.41 2dgt s ARG 140 N 0.39 4.47 0.13 1.78 3.52 -1.26 -0.02 118.95 127.96 2dgt s ARG 140 Ca -0.01 1.94 0.08 0.00 -0.13 0.00 0.00 55.73 57.60 2dgt s ARG 140 Cb -0.14 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 2dgt s ARG 140 CO 0.02 -0.10 -0.12 0.00 -0.81 0.00 0.00 175.30 174.29 2dgt s MET 141 N -0.47 2.01 -0.31 5.12 0.23 -1.20 -4.74 119.30 119.93 2dgt s MET 141 Ca 0.52 -1.13 -0.13 0.00 -1.03 0.00 0.00 55.69 53.93 2dgt s MET 141 Cb -0.34 -2.22 -0.03 0.00 -1.53 0.00 0.00 34.83 30.71 2dgt s MET 141 CO 0.39 0.48 0.28 -1.01 -2.03 0.00 0.00 175.02 173.13 2dgt s HIS 142 N -1.31 3.22 -0.11 3.16 0.09 -0.79 -2.45 115.29 117.10 2dgt s HIS 142 Ca 0.21 0.03 -0.03 0.00 -0.00 0.00 0.00 55.06 55.28 2dgt s HIS 142 Cb -0.10 -2.51 -0.03 0.00 -0.00 0.00 0.00 32.58 29.93 2dgt s HIS 142 CO 0.13 -0.30 0.01 0.08 -0.00 0.00 0.00 174.74 174.66 2dgt s VAL 143 N 1.86 4.35 0.24 -0.90 1.01 -1.26 -1.24 120.40 124.46 2dgt s VAL 143 Ca 0.09 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 2dgt s VAL 143 Cb -0.16 -2.86 0.06 0.00 0.00 0.00 0.00 36.38 33.41 2dgt s VAL 143 CO 0.11 0.57 0.76 0.00 0.00 0.00 0.00 175.10 176.53 2dgt n GLN 144 N 2.55 0.74 -2.17 2.72 10.64 -0.20 -4.66 117.38 127.00 2dgt n GLN 144 Ca -0.18 -1.53 -0.40 0.00 -1.83 0.00 0.00 57.00 53.05 2dgt n GLN 144 Cb 0.53 1.98 -0.02 0.00 -0.86 0.00 0.00 30.24 31.87 2dgt n GLN 144 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dgt s LEU 145 N 0.00 4.43 -1.13 2.61 2.01 -1.26 0.85 118.68 126.19 2dgt s LEU 145 Ca 0.16 2.62 -0.09 0.00 0.01 0.00 0.00 54.13 56.83 2dgt s LEU 145 Cb -0.03 -3.67 0.27 0.00 0.01 0.00 0.00 46.19 42.77 2dgt s LEU 145 CO 0.07 -0.49 1.22 -0.24 1.01 0.00 0.00 176.35 177.92 2dgt n SER 146 N 0.81 5.57 -3.64 2.29 2.88 -1.12 -4.45 113.62 115.95 2dgt n SER 146 Ca 0.00 -3.07 -0.06 0.00 -1.33 0.00 0.00 58.87 54.41 2dgt n SER 146 Cb 0.42 -1.40 -0.07 0.00 -0.75 0.00 0.00 64.21 62.42 2dgt n SER 146 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dgt s THR 147 N -1.02 0.00 -0.28 2.46 -1.32 -1.26 -4.87 115.64 109.36 2dgt s THR 147 Ca 0.33 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.95 2dgt s THR 147 Cb -0.07 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.40 2dgt s THR 147 CO -0.05 0.00 1.15 -1.20 -2.21 0.00 0.00 174.62 172.32 2dgt n SER 148 N 2.05 3.50 -0.33 8.08 7.64 -1.26 -4.75 113.62 128.55 2dgt n SER 148 Ca -0.12 -3.02 0.09 0.00 1.01 0.00 0.00 58.87 56.83 2dgt n SER 148 Cb 0.56 -0.40 0.17 0.00 -1.01 0.00 0.00 64.21 63.54 2dgt n SER 148 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2dgt n ARG 149 N -0.66 1.69 -0.28 1.43 1.85 -1.26 -4.78 116.66 114.65 2dgt n ARG 149 Ca 0.28 -2.72 0.09 0.00 -1.00 0.00 0.00 57.85 54.50 2dgt n ARG 149 Cb 0.90 -1.60 0.21 0.00 -1.05 0.00 0.00 32.46 30.92 2dgt n ARG 149 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2dgt h LEU 150 N 0.51 -0.29 -7.37 2.89 4.07 -2.04 -3.39 115.31 109.69 2dgt h LEU 150 Ca 0.01 0.21 -0.28 0.00 0.08 0.00 0.00 57.88 57.90 2dgt h LEU 150 Cb 1.12 0.35 -0.34 0.00 1.08 0.00 0.00 40.66 42.87 2dgt h LEU 150 CO 0.06 -0.20 -0.65 -0.13 -1.08 0.00 0.00 178.44 176.45 2dgt s ARG 151 N -6.06 0.03 0.23 1.13 1.81 -1.26 -5.15 118.95 109.68 2dgt s ARG 151 Ca -0.13 0.41 -0.07 0.00 -1.72 0.00 0.00 55.73 54.22 2dgt s ARG 151 Cb 0.24 -0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.46 2dgt s ARG 151 CO 0.76 -0.23 0.33 0.95 -0.68 0.00 0.00 175.30 176.43 2dgt s THR 152 N 1.65 0.00 -0.25 0.02 -4.23 -1.26 -5.13 115.64 106.44 2dgt s THR 152 Ca -0.03 -1.66 -0.25 0.00 -1.18 0.00 0.00 61.69 58.57 2dgt s THR 152 Cb -0.12 -2.34 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 2dgt s THR 152 CO -0.05 0.00 0.85 0.00 -0.54 0.00 0.00 174.62 174.87 2dgt s ALA 153 N -4.04 3.64 0.09 3.99 0.00 -1.26 -4.97 121.76 119.22 2dgt s ALA 153 Ca 0.30 -0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.86 2dgt s ALA 153 Cb 0.02 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 2dgt s ALA 153 CO 0.11 -0.98 1.41 0.77 0.00 0.00 0.00 175.76 177.07 2dgt h SER 154 N 7.72 -1.37 0.00 0.00 0.02 -2.05 -3.47 113.55 114.40 2dgt h SER 154 Ca -0.23 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2dgt h SER 154 Cb 1.09 0.55 0.00 0.00 0.14 0.00 0.00 62.40 64.18 2dgt h SER 154 CO 0.89 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 2dgt n GLY 155 N -1.30 0.79 0.17 -3.77 0.00 -1.26 -5.01 105.19 94.81 2dgt n GLY 155 Ca -0.03 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.51 2dgt n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dgt h PRO 156 N 0.00 0.00 -0.10 1.61 0.13 -2.05 -2.60 132.00 128.99 2dgt h PRO 156 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dgt h PRO 156 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dgt h PRO 156 CO 0.00 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.64 2dgt n SER 157 N -2.47 0.57 -0.09 1.44 3.41 -1.26 -3.88 113.62 111.34 2dgt n SER 157 Ca 0.02 -1.95 -0.12 0.00 -0.26 0.00 0.00 58.87 56.56 2dgt n SER 157 Cb 0.25 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 2dgt n SER 157 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dgt n SER 158 N -0.21 1.87 0.00 4.04 2.88 -0.98 -5.31 113.62 115.91 2dgt n SER 158 Ca 0.05 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2dgt n SER 158 Cb 0.10 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2dgt n SER 158 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42