#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 -0.46 -1.61 1.61 1.04 -1.26 -4.93 113.70 108.09 2dgt s SER 69 Ca 0.00 0.86 -0.16 0.00 0.48 0.00 0.00 55.95 57.13 2dgt s SER 69 Cb 0.00 1.59 0.16 0.00 0.10 0.00 0.00 66.02 67.87 2dgt s SER 69 CO 0.00 -0.25 0.41 -1.54 0.98 0.00 0.00 173.24 172.84 2dgt n SER 70 N 5.40 -1.06 -4.21 7.02 3.41 -1.26 -4.84 113.62 118.08 2dgt n SER 70 Ca -0.06 -1.12 -0.41 0.00 -0.26 0.00 0.00 58.87 57.02 2dgt n SER 70 Cb 0.50 -1.42 -0.05 0.00 -0.26 0.00 0.00 64.21 62.98 2dgt n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dgt s GLY 71 N -3.28 2.89 -1.46 5.00 0.00 -1.26 -4.69 107.32 104.53 2dgt s GLY 71 Ca 0.58 -3.60 -0.10 0.00 0.00 0.00 0.00 44.72 41.59 2dgt s GLY 71 CO 0.91 1.22 0.97 1.44 0.00 0.00 0.00 173.10 177.64 2dgt n SER 72 N 3.05 -4.37 0.09 1.64 7.64 -1.26 -4.91 113.62 115.49 2dgt n SER 72 Ca 0.17 -0.74 -0.11 0.00 1.01 0.00 0.00 58.87 59.20 2dgt n SER 72 Cb 0.40 -4.13 -0.07 0.00 -1.01 0.00 0.00 64.21 59.40 2dgt n SER 72 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dgt h SER 73 N -2.15 -0.25 -1.19 6.43 0.02 -1.96 -3.49 113.55 110.96 2dgt h SER 73 Ca -0.58 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 2dgt h SER 73 Cb 1.37 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.98 2dgt h SER 73 CO 0.63 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 177.20 2dgt n GLY 74 N 0.47 0.75 2.06 -3.77 0.00 -1.26 -4.97 105.19 98.46 2dgt n GLY 74 Ca -0.08 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 2dgt n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dgt n LYS 75 N -0.59 1.95 -0.32 1.61 5.02 -1.26 -4.70 118.16 119.87 2dgt n LYS 75 Ca 0.00 -1.32 -0.10 0.00 -2.02 0.00 0.00 58.31 54.87 2dgt n LYS 75 Cb 0.23 -1.85 -0.09 0.00 -0.02 0.00 0.00 35.03 33.29 2dgt n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dgt h ALA 76 N 2.54 -0.55 -2.28 7.82 0.00 -1.97 -3.41 119.26 121.42 2dgt h ALA 76 Ca 0.23 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 55.04 2dgt h ALA 76 Cb 1.14 1.29 0.11 0.00 0.00 0.00 0.00 17.79 20.33 2dgt h ALA 76 CO 0.45 -0.90 -0.09 -1.13 0.00 0.00 0.00 179.25 177.58 2dgt n SER 77 N -5.05 -3.07 -4.06 0.00 3.41 -1.26 -4.82 113.62 98.77 2dgt n SER 77 Ca 0.01 -0.46 -0.10 0.00 -0.26 0.00 0.00 58.87 58.05 2dgt n SER 77 Cb 0.25 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.39 2dgt n SER 77 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2dgt s THR 78 N -1.87 0.37 0.07 6.66 -4.23 -0.41 -4.96 115.64 111.26 2dgt s THR 78 Ca 0.35 -1.27 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 2dgt s THR 78 Cb -0.06 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 2dgt s THR 78 CO 0.30 -0.60 -0.16 -0.75 -0.54 0.00 0.00 174.62 172.87 2dgt s LYS 79 N -2.26 0.99 -0.21 3.99 2.47 -1.26 0.83 119.74 124.28 2dgt s LYS 79 Ca -0.06 -0.94 -0.02 0.00 -1.56 0.00 0.00 55.97 53.38 2dgt s LYS 79 Cb -0.05 -1.07 0.06 0.00 -1.46 0.00 0.00 37.83 35.32 2dgt s LYS 79 CO -0.03 0.25 0.04 -0.51 0.16 0.00 0.00 175.35 175.26 2dgt s LEU 80 N -1.54 1.34 0.14 5.43 1.43 -0.15 -3.00 118.68 122.34 2dgt s LEU 80 Ca 0.02 -0.92 -0.26 0.00 -1.03 0.00 0.00 54.13 51.94 2dgt s LEU 80 Cb -0.09 -0.65 -0.07 0.00 0.03 0.00 0.00 46.19 45.41 2dgt s LEU 80 CO 0.02 -0.31 0.80 -2.28 0.23 0.00 0.00 176.35 174.81 2dgt s HIS 81 N 1.81 3.87 0.06 0.29 5.65 0.24 -0.29 115.29 126.93 2dgt s HIS 81 Ca -0.00 1.62 0.08 0.00 0.25 0.00 0.00 55.06 57.01 2dgt s HIS 81 Cb -0.17 -2.81 -0.03 0.00 -1.18 0.00 0.00 32.58 28.39 2dgt s HIS 81 CO -0.10 0.44 -0.21 0.08 -0.65 0.00 0.00 174.74 174.29 2dgt s VAL 82 N -0.82 1.74 0.23 0.89 1.01 0.15 -1.02 120.40 122.58 2dgt s VAL 82 Ca 0.37 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2dgt s VAL 82 Cb -0.23 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 2dgt s VAL 82 CO 0.26 0.16 -0.07 -0.83 0.00 0.00 0.00 175.10 174.62 2dgt s GLY 83 N -1.37 1.58 -1.17 4.51 0.00 -0.13 0.15 107.32 110.90 2dgt s GLY 83 Ca 0.08 -1.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.01 2dgt s GLY 83 CO 0.02 -1.75 0.95 -2.01 0.00 0.00 0.00 173.10 170.32 2dgt n ASN 84 N -0.45 -3.25 -4.88 1.64 5.15 0.63 -2.13 115.26 111.97 2dgt n ASN 84 Ca -0.06 -0.67 -0.30 0.00 -0.60 0.00 0.00 54.58 52.95 2dgt n ASN 84 Cb 0.62 -5.04 0.00 0.00 -0.53 0.00 0.00 39.78 34.84 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 -3.39 4.75 0.22 -1.44 -1.09 0.00 -4.22 121.20 116.03 2dgt s ILE 85 Ca 0.13 0.71 -0.15 0.00 -2.23 0.00 0.00 60.65 59.12 2dgt s ILE 85 Cb -0.02 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 36.94 2dgt s ILE 85 CO 0.74 -0.99 0.63 -0.55 -1.23 0.00 0.00 174.94 173.54 2dgt s SER 86 N -4.01 6.83 0.00 3.58 0.15 -1.26 -4.73 113.70 114.26 2dgt s SER 86 Ca 0.53 1.17 0.14 0.00 0.70 0.00 0.00 55.95 58.49 2dgt s SER 86 Cb -0.11 -2.32 0.66 0.00 -1.71 0.00 0.00 66.02 62.54 2dgt s SER 86 CO 0.48 -0.01 1.44 -0.81 1.20 0.00 0.00 173.24 175.53 2dgt n PRO 87 N 0.35 0.08 -0.01 5.44 -0.04 -1.26 -1.99 135.00 137.56 2dgt n PRO 87 Ca -0.02 0.22 0.05 0.00 -0.04 0.00 0.00 63.50 63.71 2dgt n PRO 87 Cb 0.52 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.53 2dgt n PRO 87 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dgt n THR 88 N -1.42 0.10 -1.81 0.52 -2.24 -1.26 -5.02 114.28 103.15 2dgt n THR 88 Ca 0.05 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 2dgt n THR 88 Cb 0.15 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.43 2.52 0.44 0.00 -4.23 -1.26 -5.00 115.64 107.68 2dgt s THR 90 Ca 0.59 -0.89 0.29 0.00 -1.18 0.00 0.00 61.69 60.51 2dgt s THR 90 Cb -0.47 -1.98 0.48 0.00 1.34 0.00 0.00 72.50 71.88 2dgt s THR 90 CO 0.53 0.56 1.64 0.78 -0.54 0.00 0.00 174.62 177.59 2dgt h ASN 91 N 6.15 0.25 -0.55 3.99 4.21 -1.95 1.23 115.58 128.91 2dgt h ASN 91 Ca -0.32 0.13 -0.08 0.00 1.21 0.00 0.00 56.30 57.24 2dgt h ASN 91 Cb 1.19 0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 38.47 2dgt h ASN 91 CO 0.50 -0.15 0.05 1.56 -1.29 0.00 0.00 177.43 178.10 2dgt h GLN 92 N 0.11 0.97 0.46 0.81 4.20 -1.98 -1.12 115.11 118.56 2dgt h GLN 92 Ca 0.80 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 59.22 2dgt h GLN 92 Cb 2.49 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 30.16 2dgt h GLN 92 CO -0.39 0.92 -0.22 0.93 -0.67 0.00 0.00 178.83 179.40 2dgt h GLU 93 N 0.91 -0.59 0.12 1.46 4.39 0.11 -2.57 114.58 118.40 2dgt h GLU 93 Ca 0.18 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.93 2dgt h GLU 93 Cb 0.45 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2dgt h GLU 93 CO 0.02 -0.39 -0.53 1.25 -1.16 0.00 0.00 179.01 178.19 2dgt h LEU 94 N -1.12 -1.59 -0.20 1.33 5.85 -1.38 -1.89 115.31 116.30 2dgt h LEU 94 Ca -0.06 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2dgt h LEU 94 Cb 0.47 0.59 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2dgt h LEU 94 CO 0.10 -0.56 -0.30 -0.09 -0.34 0.00 0.00 178.44 177.25 2dgt h ARG 95 N -0.76 -0.22 -0.98 1.25 2.43 -1.34 -1.39 114.38 113.38 2dgt h ARG 95 Ca -0.01 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 2dgt h ARG 95 Cb 0.76 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.22 2dgt h ARG 95 CO -0.29 -0.15 -0.46 0.00 -1.51 0.00 0.00 179.97 177.56 2dgt n ALA 96 N -2.90 -0.33 -0.29 2.80 0.00 -0.97 0.15 120.51 118.97 2dgt n ALA 96 Ca -0.02 0.91 0.17 0.00 0.00 0.00 0.00 53.44 54.50 2dgt n ALA 96 Cb 0.19 -0.31 0.44 0.00 0.00 0.00 0.00 19.45 19.77 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 0.53 0.00 0.00 3.64 -0.58 0.35 116.57 120.52 2dgt h LYS 97 Ca 0.26 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2dgt h LYS 97 Cb 0.51 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2dgt h LYS 97 CO -0.95 0.35 -0.52 0.74 -2.27 0.00 0.00 179.45 176.81 2dgt h PHE 98 N 0.55 0.00 0.00 1.91 -1.00 0.24 -3.25 116.94 115.39 2dgt h PHE 98 Ca 0.51 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.28 2dgt h PHE 98 Cb 1.08 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.63 2dgt h PHE 98 CO -0.00 0.16 -0.06 0.93 -1.61 0.00 0.00 178.31 177.72 2dgt h GLU 99 N 0.00 0.00 -0.23 1.51 5.08 0.49 -3.12 114.58 118.31 2dgt h GLU 99 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2dgt h GLU 99 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2dgt h GLU 99 CO 0.02 0.06 0.15 0.93 -1.00 0.00 0.00 179.01 179.17 2dgt h GLU 100 N 0.00 0.30 0.07 2.33 5.08 -1.30 -2.83 114.58 118.24 2dgt h GLU 100 Ca -0.00 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2dgt h GLU 100 Cb 0.82 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.01 2dgt h GLU 100 CO 0.01 0.20 -0.48 1.88 -1.00 0.00 0.00 179.01 179.62 2dgt h TYR 101 N 0.31 0.29 -3.20 4.33 -1.99 -1.75 -3.49 116.97 111.46 2dgt h TYR 101 Ca 0.08 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.59 2dgt h TYR 101 Cb -0.03 -0.01 -0.04 0.00 2.00 0.00 0.00 36.73 38.65 2dgt h TYR 101 CO 0.00 1.18 0.16 0.20 -0.00 0.00 0.00 178.16 179.70 2dgt s GLY 102 N -4.36 0.33 -0.84 3.88 0.00 -1.07 -4.81 107.32 100.45 2dgt s GLY 102 Ca -0.16 -0.67 -0.25 0.00 0.00 0.00 0.00 44.72 43.63 2dgt s GLY 102 CO 0.76 -0.34 1.93 2.56 0.00 0.00 0.00 173.10 178.01 2dgt s PRO 103 N -3.22 2.57 0.72 2.90 0.04 -1.26 -4.16 135.00 132.59 2dgt s PRO 103 Ca 0.16 -0.09 -0.16 0.00 0.04 0.00 0.00 61.00 60.95 2dgt s PRO 103 Cb -0.04 -4.91 -0.01 0.00 0.04 0.00 0.00 34.50 29.58 2dgt s PRO 103 CO 0.10 -3.24 0.86 0.28 0.04 0.00 0.00 177.00 175.05 2dgt n VAL 104 N 7.73 2.57 -0.09 -0.36 0.31 -1.26 -4.02 118.33 123.21 2dgt n VAL 104 Ca 0.36 -0.38 -0.19 0.00 -0.01 0.00 0.00 64.34 64.12 2dgt n VAL 104 Cb 0.48 -1.01 -0.06 0.00 -0.91 0.00 0.00 33.84 32.34 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 -2.46 1.27 -3.65 2.52 5.41 0.78 -4.89 119.36 118.33 2dgt n ILE 105 Ca 0.12 -0.16 -0.05 0.00 1.00 0.00 0.00 62.75 63.67 2dgt n ILE 105 Cb 0.49 -1.91 -0.06 0.00 -0.71 0.00 0.00 39.64 37.45 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 -2.49 0.52 -0.09 0.38 -1.05 -1.08 -5.01 118.70 109.88 2dgt s GLU 106 Ca -0.28 1.27 -0.00 0.00 -0.15 0.00 0.00 54.97 55.80 2dgt s GLU 106 Cb 0.09 0.57 -0.03 0.00 -0.44 0.00 0.00 34.13 34.32 2dgt s GLU 106 CO 0.37 -0.20 -0.06 0.00 0.95 0.00 0.00 175.26 176.31 2dgt s ASP 108 N -0.57 0.75 0.13 0.00 1.01 -0.19 -5.01 116.67 112.79 2dgt s ASP 108 Ca 0.09 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.25 2dgt s ASP 108 Cb -0.12 -0.32 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 2dgt s ASP 108 CO 0.02 -0.04 0.30 -0.63 0.21 0.00 0.00 175.17 175.03 2dgt s ILE 109 N 0.72 5.30 0.29 0.77 1.01 -1.26 -0.43 121.20 127.60 2dgt s ILE 109 Ca -0.09 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.16 2dgt s ILE 109 Cb -0.12 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2dgt s ILE 109 CO -0.00 -0.03 0.13 -0.69 0.00 0.00 0.00 174.94 174.36 2dgt s VAL 110 N -1.69 0.43 0.00 2.92 1.01 0.28 -4.91 120.40 118.44 2dgt s VAL 110 Ca 0.36 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.34 2dgt s VAL 110 Cb -0.12 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2dgt s VAL 110 CO 0.28 0.00 0.62 0.29 0.00 0.00 0.00 175.10 176.29 2dgt n LYS 111 N -0.56 0.00 -0.03 2.72 4.76 -1.26 -3.37 118.16 120.43 2dgt n LYS 111 Ca 0.00 0.62 0.01 0.00 -2.87 0.00 0.00 58.31 56.07 2dgt n LYS 111 Cb 0.65 -1.03 0.03 0.00 -1.84 0.00 0.00 35.03 32.84 2dgt n LYS 111 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dgt n ASP 112 N -1.85 2.14 -3.62 4.39 8.00 -1.26 -4.67 116.55 119.67 2dgt n ASP 112 Ca 0.00 -2.04 -0.23 0.00 0.71 0.00 0.00 54.79 53.23 2dgt n ASP 112 Cb 0.00 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 40.97 2dgt n ASP 112 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2dgt s TYR 113 N -1.08 1.78 0.35 1.24 1.13 -1.22 0.23 117.35 119.79 2dgt s TYR 113 Ca 0.04 -1.54 -0.17 0.00 -1.41 0.00 0.00 57.07 53.99 2dgt s TYR 113 Cb 0.03 -0.90 0.04 0.00 -1.10 0.00 0.00 41.96 40.03 2dgt s TYR 113 CO 0.02 -0.66 0.76 0.00 -2.51 0.00 0.00 175.55 173.16 2dgt s ALA 114 N -3.31 -0.90 -0.22 9.51 0.00 0.12 0.10 121.76 127.06 2dgt s ALA 114 Ca 0.33 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 2dgt s ALA 114 Cb 0.02 0.75 0.11 0.00 0.00 0.00 0.00 23.12 24.00 2dgt s ALA 114 CO 0.23 -1.00 0.37 -0.06 0.00 0.00 0.00 175.76 175.29 2dgt s PHE 115 N -2.92 -0.74 -0.38 0.00 0.40 0.42 -0.67 117.98 114.09 2dgt s PHE 115 Ca 0.14 0.96 -0.11 0.00 -0.60 0.00 0.00 56.93 57.32 2dgt s PHE 115 Cb -0.05 0.05 0.03 0.00 0.51 0.00 0.00 43.02 43.56 2dgt s PHE 115 CO 0.10 -0.62 0.21 0.08 0.70 0.00 0.00 175.22 175.69 2dgt s VAL 116 N 2.53 4.62 -0.45 -0.44 1.01 0.61 -1.03 120.40 127.25 2dgt s VAL 116 Ca 0.08 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 2dgt s VAL 116 Cb -0.14 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2dgt s VAL 116 CO -0.14 -0.24 1.11 -2.28 0.00 0.00 0.00 175.10 173.55 2dgt s HIS 117 N 1.56 2.87 0.38 5.22 2.46 0.95 -0.97 115.29 127.76 2dgt s HIS 117 Ca 0.02 0.76 0.02 0.00 0.47 0.00 0.00 55.06 56.33 2dgt s HIS 117 Cb -0.19 -4.29 -0.02 0.00 -0.13 0.00 0.00 32.58 27.95 2dgt s HIS 117 CO 0.07 -1.18 0.57 -1.64 -2.47 0.00 0.00 174.74 170.08 2dgt s MET 118 N 4.29 3.23 -0.25 2.88 -1.94 0.24 -0.16 119.30 127.60 2dgt s MET 118 Ca 0.47 -0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 53.69 2dgt s MET 118 Cb -0.08 -2.67 -0.15 0.00 2.01 0.00 0.00 34.83 33.93 2dgt s MET 118 CO 0.29 -0.02 -0.09 -1.91 -0.01 0.00 0.00 175.02 173.29 2dgt n GLU 119 N -1.84 0.58 -4.04 2.03 4.07 -1.26 -1.29 120.64 118.89 2dgt n GLU 119 Ca -0.02 0.41 -0.24 0.00 -0.06 0.00 0.00 57.16 57.26 2dgt n GLU 119 Cb 0.57 -1.61 -0.04 0.00 -0.06 0.00 0.00 31.44 30.30 2dgt n GLU 119 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2dgt s ARG 120 N -2.44 3.12 -0.09 5.31 0.52 -1.26 -4.30 118.95 119.80 2dgt s ARG 120 Ca -0.34 -0.85 -0.24 0.00 -0.52 0.00 0.00 55.73 53.78 2dgt s ARG 120 Cb 0.11 -2.73 -0.20 0.00 0.52 0.00 0.00 34.95 32.64 2dgt s ARG 120 CO 0.54 0.46 0.83 0.00 0.02 0.00 0.00 175.30 177.15 2dgt h ALA 121 N 1.86 -0.04 -1.02 2.13 0.00 -1.93 -2.67 119.26 117.58 2dgt h ALA 121 Ca -0.49 -0.35 0.28 0.00 0.00 0.00 0.00 54.91 54.35 2dgt h ALA 121 Cb 1.22 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 2dgt h ALA 121 CO 0.63 -0.12 0.61 1.05 0.00 0.00 0.00 179.25 181.43 2dgt h GLU 122 N -0.86 0.45 -0.13 0.00 4.11 -1.99 0.37 114.58 116.53 2dgt h GLU 122 Ca -0.00 -0.03 -0.22 0.00 0.07 0.00 0.00 59.36 59.18 2dgt h GLU 122 Cb 0.71 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.87 2dgt h GLU 122 CO 0.01 0.30 -0.77 -0.44 0.07 0.00 0.00 179.01 178.17 2dgt h ASP 123 N 0.47 0.91 0.68 3.06 3.32 -1.88 -2.86 116.42 120.12 2dgt h ASP 123 Ca 0.67 -0.64 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2dgt h ASP 123 Cb 1.44 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 40.73 2dgt h ASP 123 CO -0.48 1.41 -0.33 0.00 -1.72 0.00 0.00 179.24 178.12 2dgt h ALA 124 N 0.52 -0.92 -1.01 3.45 0.00 -0.22 0.16 119.26 121.25 2dgt h ALA 124 Ca -0.06 -0.21 0.24 0.00 0.00 0.00 0.00 54.91 54.88 2dgt h ALA 124 Cb 1.41 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 19.46 2dgt h ALA 124 CO 0.16 -0.88 0.64 0.28 0.00 0.00 0.00 179.25 179.45 2dgt h VAL 125 N -1.19 0.59 -0.01 0.00 2.07 -0.57 -1.11 116.25 116.02 2dgt h VAL 125 Ca -0.09 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2dgt h VAL 125 Cb 0.72 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2dgt h VAL 125 CO 0.15 0.09 -0.10 -0.33 0.02 0.00 0.00 177.57 177.41 2dgt h GLU 126 N 0.50 0.09 -0.76 1.57 4.39 -1.43 -2.75 114.58 116.19 2dgt h GLU 126 Ca 0.58 -0.08 0.22 0.00 0.34 0.00 0.00 59.36 60.42 2dgt h GLU 126 Cb 1.29 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 2dgt h GLU 126 CO -0.31 0.77 0.73 0.00 -1.16 0.00 0.00 179.01 179.03 2dgt h ALA 127 N 0.32 2.58 0.00 3.43 0.00 0.58 -0.35 119.26 125.82 2dgt h ALA 127 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dgt h ALA 127 Cb 0.80 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2dgt h ALA 127 CO 0.02 -1.12 -0.13 0.82 0.00 0.00 0.00 179.25 178.84 2dgt h ILE 128 N 0.00 0.00 0.00 0.00 2.04 -1.39 -1.52 117.51 116.64 2dgt h ILE 128 Ca 0.36 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2dgt h ILE 128 Cb 1.81 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 2dgt h ILE 128 CO -0.00 0.00 0.46 -0.09 0.00 0.00 0.00 178.15 178.52 2dgt h ARG 129 N -0.70 0.00 0.01 2.37 2.43 -1.12 1.96 114.38 119.34 2dgt h ARG 129 Ca 0.00 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.76 2dgt h ARG 129 Cb 0.13 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 2dgt h ARG 129 CO 0.00 0.00 -2.44 0.41 -1.51 0.00 0.00 179.97 176.43 2dgt n GLY 130 N -1.29 -0.41 0.64 2.80 0.00 -0.19 -4.40 105.19 102.35 2dgt n GLY 130 Ca -0.01 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.58 1.97 -4.67 0.99 4.77 -0.14 -4.86 117.00 111.48 2dgt n LEU 131 Ca -0.47 -0.75 -0.42 0.00 -0.03 0.00 0.00 56.01 54.33 2dgt n LEU 131 Cb 0.96 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.95 2dgt n LEU 131 CO 0.21 0.38 1.22 1.51 -1.33 0.00 0.00 177.39 179.38 2dgt s ASP 132 N -1.75 6.79 -1.07 -1.43 -4.77 0.65 -3.16 116.67 111.93 2dgt s ASP 132 Ca 0.35 2.06 -0.01 0.00 -3.30 0.00 0.00 52.55 51.65 2dgt s ASP 132 Cb 0.20 -2.54 -0.01 0.00 -1.09 0.00 0.00 42.92 39.48 2dgt s ASP 132 CO 0.30 -0.83 0.89 0.59 0.70 0.00 0.00 175.17 176.83 2dgt n ASN 133 N 6.49 -2.47 -4.32 2.11 4.13 -0.76 -4.94 115.26 115.49 2dgt n ASN 133 Ca 0.15 -0.57 -0.34 0.00 1.68 0.00 0.00 54.58 55.50 2dgt n ASN 133 Cb 0.43 -4.69 -0.14 0.00 -1.54 0.00 0.00 39.78 33.85 2dgt n ASN 133 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2dgt s THR 134 N -3.33 3.24 -0.76 3.41 -4.23 -1.19 -4.86 115.64 107.92 2dgt s THR 134 Ca 0.04 -0.55 -0.28 0.00 -1.18 0.00 0.00 61.69 59.72 2dgt s THR 134 Cb -0.01 -2.45 -0.15 0.00 1.34 0.00 0.00 72.50 71.24 2dgt s THR 134 CO 0.66 0.45 2.55 1.21 -0.54 0.00 0.00 174.62 178.95 2dgt n GLU 135 N 4.48 0.50 -3.49 3.99 2.13 -1.26 -2.97 120.64 124.02 2dgt n GLU 135 Ca -0.18 -0.03 -0.39 0.00 0.66 0.00 0.00 57.16 57.22 2dgt n GLU 135 Cb 0.51 -2.46 -0.10 0.00 0.27 0.00 0.00 31.44 29.66 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 10.45 3.23 -0.93 4.31 2.19 0.17 -4.32 117.98 133.08 2dgt s PHE 136 Ca 1.17 0.25 0.00 0.00 0.33 0.00 0.00 56.93 58.68 2dgt s PHE 136 Cb -0.71 -2.48 0.00 0.00 -1.31 0.00 0.00 43.02 38.52 2dgt s PHE 136 CO 0.37 -0.20 0.00 1.04 1.83 0.00 0.00 175.22 178.26 2dgt n GLN 137 N 5.20 -2.29 0.00 10.12 1.13 -1.26 -0.23 117.38 130.04 2dgt n GLN 137 Ca -0.11 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 2dgt n GLN 137 Cb 0.51 -5.10 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 -0.75 2.96 3.63 1.08 0.00 -1.26 -5.00 105.19 105.85 2dgt n GLY 138 Ca -0.13 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 3.98 0.28 1.61 -2.85 0.68 -4.93 119.74 118.51 2dgt s LYS 139 Ca 0.00 -0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 54.34 2dgt s LYS 139 Cb 0.00 -3.24 -0.10 0.00 -2.06 0.00 0.00 37.83 32.44 2dgt s LYS 139 CO 0.00 0.25 1.17 0.50 0.10 0.00 0.00 175.35 177.38 2dgt s ARG 140 N 0.43 4.54 0.13 1.78 3.52 -1.26 0.45 118.95 128.53 2dgt s ARG 140 Ca 0.03 1.94 0.10 0.00 -0.13 0.00 0.00 55.73 57.67 2dgt s ARG 140 Cb -0.12 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2dgt s ARG 140 CO 0.00 0.05 -0.20 0.00 -0.81 0.00 0.00 175.30 174.34 2dgt s MET 141 N -1.37 1.68 -0.27 5.12 0.23 -1.16 -4.71 119.30 118.82 2dgt s MET 141 Ca 0.47 -1.26 -0.11 0.00 -1.03 0.00 0.00 55.69 53.76 2dgt s MET 141 Cb -0.34 -2.04 -0.05 0.00 -1.53 0.00 0.00 34.83 30.87 2dgt s MET 141 CO 0.44 0.46 0.20 -1.01 -2.03 0.00 0.00 175.02 173.08 2dgt s HIS 142 N -1.20 3.25 -0.12 3.16 3.76 -0.90 -1.84 115.29 121.40 2dgt s HIS 142 Ca 0.18 0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 55.23 2dgt s HIS 142 Cb -0.10 -2.37 -0.03 0.00 1.11 0.00 0.00 32.58 31.19 2dgt s HIS 142 CO 0.09 -0.11 -0.02 0.08 -0.85 0.00 0.00 174.74 173.94 2dgt s VAL 143 N 1.61 4.14 0.23 -0.90 1.01 -1.26 -0.95 120.40 124.27 2dgt s VAL 143 Ca 0.08 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 2dgt s VAL 143 Cb -0.15 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.50 2dgt s VAL 143 CO 0.09 0.55 0.86 0.00 0.00 0.00 0.00 175.10 176.60 2dgt s GLN 144 N -0.30 1.55 0.25 2.72 -2.07 -0.19 -4.77 119.66 116.85 2dgt s GLN 144 Ca 0.06 -0.89 -0.31 0.00 -1.82 0.00 0.00 55.36 52.40 2dgt s GLN 144 Cb -0.12 0.51 -0.11 0.00 -1.09 0.00 0.00 33.01 32.19 2dgt s GLN 144 CO 0.02 -0.72 1.59 -0.51 -1.32 0.00 0.00 175.29 174.35 2dgt s LEU 145 N -2.99 4.36 -0.07 2.60 2.01 -1.26 0.82 118.68 124.15 2dgt s LEU 145 Ca 0.13 2.83 -0.02 0.00 0.01 0.00 0.00 54.13 57.08 2dgt s LEU 145 Cb -0.04 -3.62 -0.01 0.00 0.01 0.00 0.00 46.19 42.54 2dgt s LEU 145 CO 0.05 -0.87 -0.04 -1.28 1.01 0.00 0.00 176.35 175.23 2dgt h SER 146 N 5.58 0.00 -4.00 2.29 0.87 -1.86 -3.42 113.55 113.01 2dgt h SER 146 Ca -0.45 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.61 2dgt h SER 146 Cb 1.21 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 63.22 2dgt h SER 146 CO 0.84 0.35 0.44 0.28 -0.53 0.00 0.00 176.83 178.21 2dgt s THR 147 N -1.46 3.41 0.31 2.23 -1.32 -1.26 -4.98 115.64 112.57 2dgt s THR 147 Ca -0.03 1.03 0.08 0.00 -1.21 0.00 0.00 61.69 61.56 2dgt s THR 147 Cb 0.00 -3.50 -0.04 0.00 -1.51 0.00 0.00 72.50 67.45 2dgt s THR 147 CO 0.04 -0.05 0.15 -0.94 -2.21 0.00 0.00 174.62 171.61 2dgt s SER 148 N -1.55 4.89 0.11 8.08 1.04 -1.26 -5.02 113.70 119.98 2dgt s SER 148 Ca 0.63 -0.62 -0.25 0.00 0.48 0.00 0.00 55.95 56.19 2dgt s SER 148 Cb -0.24 -0.90 0.09 0.00 0.10 0.00 0.00 66.02 65.07 2dgt s SER 148 CO 0.30 -0.21 1.11 0.00 0.98 0.00 0.00 173.24 175.42 2dgt s ARG 149 N -3.84 0.96 0.35 4.02 1.04 -1.26 -4.99 118.95 115.23 2dgt s ARG 149 Ca 0.36 -0.59 0.09 0.00 -1.04 0.00 0.00 55.73 54.55 2dgt s ARG 149 Cb -0.05 0.29 -0.06 0.00 -2.04 0.00 0.00 34.95 33.10 2dgt s ARG 149 CO 0.23 -0.45 0.01 -1.17 -0.04 0.00 0.00 175.30 173.88 2dgt s LEU 150 N -3.30 2.96 -0.43 -1.89 2.96 -1.26 -5.11 118.68 112.60 2dgt s LEU 150 Ca 0.20 -1.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.10 2dgt s LEU 150 Cb -0.01 -1.30 0.12 0.00 0.50 0.00 0.00 46.19 45.50 2dgt s LEU 150 CO 0.02 -0.26 0.18 0.00 -1.32 0.00 0.00 176.35 174.97 2dgt s ARG 151 N -3.71 1.82 0.27 1.98 1.70 -1.26 -5.09 118.95 114.65 2dgt s ARG 151 Ca 0.35 -2.16 -0.29 0.00 -0.47 0.00 0.00 55.73 53.15 2dgt s ARG 151 Cb 0.01 -3.35 -0.09 0.00 -0.57 0.00 0.00 34.95 30.94 2dgt s ARG 151 CO 0.19 -1.04 1.16 0.95 -1.08 0.00 0.00 175.30 175.48 2dgt s THR 152 N 0.48 3.36 -0.17 4.99 -4.23 -1.26 -4.96 115.64 113.85 2dgt s THR 152 Ca 0.13 1.32 -0.02 0.00 -1.18 0.00 0.00 61.69 61.94 2dgt s THR 152 Cb -0.22 -3.84 -0.10 0.00 1.34 0.00 0.00 72.50 69.69 2dgt s THR 152 CO -0.05 0.29 -0.17 0.00 -0.54 0.00 0.00 174.62 174.16 2dgt n ALA 153 N 1.41 1.71 -1.94 3.99 0.00 -1.26 -4.84 120.51 119.57 2dgt n ALA 153 Ca 0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 53.44 52.50 2dgt n ALA 153 Cb 0.44 0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 2dgt n ALA 153 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dgt s SER 154 N -5.88 4.75 1.03 0.00 0.15 -1.26 -4.93 113.70 107.55 2dgt s SER 154 Ca -0.23 -0.95 -0.24 0.00 0.70 0.00 0.00 55.95 55.23 2dgt s SER 154 Cb 0.07 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.70 2dgt s SER 154 CO 0.36 -3.24 -1.00 0.61 1.20 0.00 0.00 173.24 171.17 2dgt n GLY 155 N 6.42 -3.02 0.00 9.45 0.00 -1.26 -4.75 105.19 112.02 2dgt n GLY 155 Ca 0.43 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 46.14 2dgt n GLY 155 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dgt n PRO 156 N 1.15 0.42 -4.31 1.61 -0.04 -1.26 -4.71 135.00 127.85 2dgt n PRO 156 Ca -0.01 0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.21 2dgt n PRO 156 Cb 0.69 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 2dgt n PRO 156 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dgt s SER 157 N -2.14 4.07 -0.12 3.54 1.04 -1.26 -5.07 113.70 113.75 2dgt s SER 157 Ca 0.21 -0.62 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2dgt s SER 157 Cb 0.11 -0.62 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 2dgt s SER 157 CO 0.19 0.12 -0.10 -1.28 0.98 0.00 0.00 173.24 173.15 2dgt h SER 158 N 3.10 0.00 0.00 7.02 0.87 -1.99 -3.50 113.55 119.05 2dgt h SER 158 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2dgt h SER 158 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2dgt h SER 158 CO 0.52 0.63 0.00 0.61 -0.53 0.00 0.00 176.83 178.06