#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahl s ALA 41 N 0.00 2.40 0.96 0.00 0.00 -1.26 -4.98 121.76 118.88 2ahl s ALA 41 Ca 0.00 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 2ahl s ALA 41 Cb 0.00 -3.52 0.17 0.00 0.00 0.00 0.00 23.12 19.77 2ahl s ALA 41 CO 0.00 -1.51 1.09 -2.14 0.00 0.00 0.00 175.76 173.20 2ahl s PRO 42 N -3.41 0.68 0.81 0.00 0.02 -1.26 -5.00 135.00 126.84 2ahl s PRO 42 Ca 0.81 1.08 -0.11 0.00 0.02 0.00 0.00 61.00 62.80 2ahl s PRO 42 Cb -0.35 -1.72 0.08 0.00 0.02 0.00 0.00 34.50 32.52 2ahl s PRO 42 CO 0.38 -2.71 1.09 -1.21 -0.33 0.00 0.00 177.00 174.22 2ahl s GLU 43 N -4.72 1.98 0.79 5.54 0.41 -1.26 -4.59 118.70 116.85 2ahl s GLU 43 Ca 0.66 0.93 -0.12 0.00 -0.41 0.00 0.00 54.97 56.03 2ahl s GLU 43 Cb -0.21 -1.88 0.07 0.00 -1.78 0.00 0.00 34.13 30.32 2ahl s GLU 43 CO 0.59 -1.77 1.14 -1.54 -0.49 0.00 0.00 175.26 173.20 2ahl s SER 44 N -3.54 4.68 0.11 -0.19 1.04 -1.26 -4.77 113.70 109.76 2ahl s SER 44 Ca 0.61 0.95 -0.18 0.00 0.48 0.00 0.00 55.95 57.81 2ahl s SER 44 Cb -0.17 -1.57 0.04 0.00 0.10 0.00 0.00 66.02 64.43 2ahl s SER 44 CO 0.56 -1.81 0.45 0.72 0.98 0.00 0.00 173.24 174.14 2ahl s PHE 45 N -3.44 -0.29 -0.30 5.02 -0.12 -0.57 -4.94 117.98 113.33 2ahl s PHE 45 Ca 0.61 0.09 -0.07 0.00 -0.05 0.00 0.00 56.93 57.50 2ahl s PHE 45 Cb -0.12 0.31 0.15 0.00 -0.63 0.00 0.00 43.02 42.73 2ahl s PHE 45 CO 0.51 -0.69 0.63 0.34 -0.05 0.00 0.00 175.22 175.95 2ahl s ASP 46 N -2.55 -1.20 0.26 1.98 2.15 -1.26 -1.02 116.67 115.04 2ahl s ASP 46 Ca 0.00 1.36 -0.19 0.00 0.43 0.00 0.00 52.55 54.15 2ahl s ASP 46 Cb 0.01 2.25 0.02 0.00 -0.30 0.00 0.00 42.92 44.89 2ahl s ASP 46 CO -0.09 -0.23 0.65 -1.83 -0.17 0.00 0.00 175.17 173.50 2ahl s GLU 47 N 2.88 1.69 -0.27 4.34 -1.05 -0.77 -5.02 118.70 120.51 2ahl s GLU 47 Ca 0.02 -1.01 -0.08 0.00 -0.15 0.00 0.00 54.97 53.75 2ahl s GLU 47 Cb -0.13 0.57 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 2ahl s GLU 47 CO -0.19 -0.76 0.09 0.08 0.95 0.00 0.00 175.26 175.43 2ahl s VAL 48 N -3.93 4.40 -0.19 1.83 1.01 -1.26 -0.84 120.40 121.43 2ahl s VAL 48 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2ahl s VAL 48 Cb -0.04 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2ahl s VAL 48 CO 0.06 0.26 -0.18 -0.47 0.00 0.00 0.00 175.10 174.76 2ahl s TYR 49 N 1.61 2.83 -1.29 5.22 5.04 0.13 -4.71 117.35 126.19 2ahl s TYR 49 Ca 0.06 -1.66 -0.06 0.00 -2.44 0.00 0.00 57.07 52.97 2ahl s TYR 49 Cb -0.16 -1.93 -0.00 0.00 0.35 0.00 0.00 41.96 40.22 2ahl s TYR 49 CO 0.05 -0.80 0.63 1.63 -1.34 0.00 0.00 175.55 175.71 2ahl n LYS 50 N 4.62 -3.25 -0.82 4.97 5.02 -1.26 -1.51 118.16 125.93 2ahl n LYS 50 Ca -0.20 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2ahl n LYS 50 Cb 0.49 -4.68 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 2ahl n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ahl n GLY 51 N -1.74 0.40 3.26 0.72 0.00 -1.26 -4.99 105.19 101.59 2ahl n GLY 51 Ca -0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 2ahl n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ahl s ARG 52 N -0.69 1.82 -0.11 1.61 0.52 -0.57 -5.10 118.95 116.44 2ahl s ARG 52 Ca 0.00 -0.85 -0.28 0.00 -0.52 0.00 0.00 55.73 54.09 2ahl s ARG 52 Cb 0.00 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.67 2ahl s ARG 52 CO 0.00 0.49 0.92 0.50 0.02 0.00 0.00 175.30 177.23 2ahl s ARG 53 N -0.63 4.41 -0.07 3.54 3.52 -1.26 0.22 118.95 128.67 2ahl s ARG 53 Ca 0.09 1.24 0.05 0.00 -0.13 0.00 0.00 55.73 56.97 2ahl s ARG 53 Cb -0.09 -3.53 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2ahl s ARG 53 CO -0.01 -0.25 -0.22 0.96 -0.81 0.00 0.00 175.30 174.98 2ahl s ILE 54 N 1.80 1.88 0.06 4.11 -4.36 -0.02 -0.48 121.20 124.19 2ahl s ILE 54 Ca 0.45 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.94 2ahl s ILE 54 Cb -0.18 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.89 2ahl s ILE 54 CO 0.18 0.52 -0.12 -1.10 0.24 0.00 0.00 174.94 174.66 2ahl s GLN 55 N 0.13 0.73 0.02 0.37 -0.21 -0.78 -1.85 119.66 118.08 2ahl s GLN 55 Ca -0.10 -0.88 0.01 0.00 0.02 0.00 0.00 55.36 54.41 2ahl s GLN 55 Cb -0.15 -0.67 -0.02 0.00 1.00 0.00 0.00 33.01 33.17 2ahl s GLN 55 CO 0.05 0.15 -0.04 0.20 -2.12 0.00 0.00 175.29 173.53 2ahl s GLY 56 N -1.64 0.29 -0.10 3.09 0.00 -0.18 -0.82 107.32 107.95 2ahl s GLY 56 Ca -0.04 -0.57 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 2ahl s GLY 56 CO 0.02 -0.62 0.77 1.09 0.00 0.00 0.00 173.10 174.36 2ahl s ARG 57 N -1.29 0.91 0.32 2.90 1.70 0.04 -1.51 118.95 122.02 2ahl s ARG 57 Ca -0.12 0.32 -0.29 0.00 -0.47 0.00 0.00 55.73 55.17 2ahl s ARG 57 Cb -0.09 0.43 -0.10 0.00 -0.57 0.00 0.00 34.95 34.63 2ahl s ARG 57 CO -0.00 -0.27 1.23 -1.25 -1.08 0.00 0.00 175.30 173.93 2ahl s PRO 58 N -0.97 4.41 0.00 3.89 0.04 -1.26 0.13 135.00 141.24 2ahl s PRO 58 Ca -0.07 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2ahl s PRO 58 Cb -0.01 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2ahl s PRO 58 CO 0.07 -0.08 0.00 0.00 0.04 0.00 0.00 177.00 177.02 2ahl n ALA 59 N 0.85 0.00 0.27 8.56 0.00 -1.26 -4.78 120.51 124.15 2ahl n ALA 59 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2ahl n ALA 59 Cb 0.43 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.29 2ahl n ALA 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ahl h GLY 71 N 0.00 0.00 -5.42 0.00 0.00 -1.96 -3.50 103.07 92.18 2ahl h GLY 71 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2ahl h GLY 71 CO 0.00 0.00 -0.23 -0.47 0.00 0.00 0.00 176.54 175.84 2ahl s TYR 72 N -3.41 -0.59 -0.02 5.60 5.04 -1.26 -5.00 117.35 117.71 2ahl s TYR 72 Ca 0.05 1.32 0.03 0.00 -2.44 0.00 0.00 57.07 56.02 2ahl s TYR 72 Cb 0.07 0.26 -0.03 0.00 0.35 0.00 0.00 41.96 42.60 2ahl s TYR 72 CO 0.60 -0.31 -0.07 -1.21 -1.34 0.00 0.00 175.55 173.22 2ahl s GLU 73 N 0.95 2.61 0.00 4.97 2.02 0.12 -4.83 118.70 124.55 2ahl s GLU 73 Ca -0.06 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.31 2ahl s GLU 73 Cb -0.06 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 2ahl s GLU 73 CO -0.08 0.62 -0.15 0.08 0.02 0.00 0.00 175.26 175.76 2ahl s VAL 74 N -0.94 1.15 0.00 2.63 1.01 -1.26 -0.78 120.40 122.22 2ahl s VAL 74 Ca 0.16 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.44 2ahl s VAL 74 Cb -0.11 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2ahl s VAL 74 CO 0.06 0.24 -0.12 -0.36 0.00 0.00 0.00 175.10 174.92 2ahl s PHE 75 N -0.48 1.05 -0.27 5.22 0.40 0.00 -0.27 117.98 123.64 2ahl s PHE 75 Ca 0.05 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.17 2ahl s PHE 75 Cb -0.06 -0.66 0.06 0.00 0.51 0.00 0.00 43.02 42.87 2ahl s PHE 75 CO -0.00 -0.01 -0.08 0.08 0.70 0.00 0.00 175.22 175.91 2ahl s VAL 76 N -0.43 2.10 -1.43 -0.44 1.01 0.93 -1.86 120.40 120.29 2ahl s VAL 76 Ca 0.03 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.24 2ahl s VAL 76 Cb -0.05 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.10 2ahl s VAL 76 CO -0.00 -0.10 1.07 0.47 0.00 0.00 0.00 175.10 176.53 2ahl n ASP 77 N 4.44 -5.84 0.00 3.32 8.00 0.36 -1.58 116.55 125.25 2ahl n ASP 77 Ca -0.12 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.79 2ahl n ASP 77 Cb 0.42 -4.63 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 2ahl n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ahl n GLY 78 N -1.86 1.84 3.64 0.44 0.00 -1.26 -5.01 105.19 102.97 2ahl n GLY 78 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2ahl n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ahl s VAL 79 N -3.06 5.13 0.31 1.61 1.01 -0.61 -5.03 120.40 119.76 2ahl s VAL 79 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2ahl s VAL 79 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 2ahl s VAL 79 CO 0.00 0.37 1.37 -1.58 0.00 0.00 0.00 175.10 175.27 2ahl s GLN 80 N 0.93 4.29 -0.17 2.72 0.74 -1.26 -0.05 119.66 126.87 2ahl s GLN 80 Ca 0.06 2.30 -0.00 0.00 0.05 0.00 0.00 55.36 57.77 2ahl s GLN 80 Cb -0.13 -3.07 -0.00 0.00 1.10 0.00 0.00 33.01 30.91 2ahl s GLN 80 CO 0.03 -0.31 -0.14 -1.17 -0.55 0.00 0.00 175.29 173.15 2ahl s LEU 81 N -1.40 2.53 -0.00 3.68 2.96 0.63 -4.87 118.68 122.21 2ahl s LEU 81 Ca 0.53 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 53.67 2ahl s LEU 81 Cb -0.41 -1.59 -0.07 0.00 0.50 0.00 0.00 46.19 44.62 2ahl s LEU 81 CO 0.52 0.07 1.64 -2.28 -1.32 0.00 0.00 176.35 174.97 2ahl s HIS 82 N 0.93 2.21 0.13 5.38 5.65 -1.26 -4.21 115.29 124.12 2ahl s HIS 82 Ca -0.03 0.28 0.06 0.00 0.25 0.00 0.00 55.06 55.62 2ahl s HIS 82 Cb -0.15 -3.92 -0.04 0.00 -1.18 0.00 0.00 32.58 27.30 2ahl s HIS 82 CO -0.02 -3.76 -0.13 0.14 -0.65 0.00 0.00 174.74 170.32 2ahl s VAL 83 N 3.37 1.31 0.02 0.89 -7.23 -1.26 -0.72 120.40 116.78 2ahl s VAL 83 Ca 0.73 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.11 2ahl s VAL 83 Cb -0.36 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 2ahl s VAL 83 CO 0.31 -0.48 -0.04 -0.32 -0.31 0.00 0.00 175.10 174.25 2ahl s MET 84 N -2.90 0.34 -0.14 4.82 1.75 0.34 -4.97 119.30 118.54 2ahl s MET 84 Ca 0.11 -0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 54.03 2ahl s MET 84 Cb -0.03 -0.14 -0.04 0.00 2.84 0.00 0.00 34.83 37.45 2ahl s MET 84 CO 0.03 0.02 0.09 0.50 -0.65 0.00 0.00 175.02 175.01 2ahl s ARG 85 N -0.94 3.63 0.33 4.11 3.52 -1.26 -1.35 118.95 126.99 2ahl s ARG 85 Ca -0.07 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.23 2ahl s ARG 85 Cb -0.06 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 2ahl s ARG 85 CO -0.00 0.54 0.59 -0.80 -0.81 0.00 0.00 175.30 174.82 2ahl s ASN 86 N -0.38 6.38 0.31 -2.12 0.01 0.88 -4.99 114.94 115.03 2ahl s ASN 86 Ca 0.10 0.67 0.07 0.00 -0.71 0.00 0.00 52.86 53.00 2ahl s ASN 86 Cb -0.12 -2.13 0.80 0.00 0.41 0.00 0.00 41.25 40.22 2ahl s ASN 86 CO 0.02 -0.28 1.74 0.00 -1.51 0.00 0.00 177.10 177.07 2ahl h ALA 87 N 1.20 1.69 0.00 0.60 0.00 -1.99 0.77 119.26 121.52 2ahl h ALA 87 Ca -0.48 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2ahl h ALA 87 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ahl h ALA 87 CO 0.64 -0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 2ahl n ASP 88 N -4.87 0.00 0.00 0.00 5.75 -1.26 -4.88 116.55 111.29 2ahl n ASP 88 Ca 0.25 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.96 2ahl n ASP 88 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 2ahl n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ahl n GLY 89 N 0.67 2.25 3.72 6.12 0.00 0.26 -5.08 105.19 113.13 2ahl n GLY 89 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2ahl n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ahl s SER 90 N -1.38 2.98 0.16 1.61 1.04 -1.26 -4.71 113.70 112.14 2ahl s SER 90 Ca 0.00 1.12 0.05 0.00 0.48 0.00 0.00 55.95 57.60 2ahl s SER 90 Cb 0.00 -1.76 -0.05 0.00 0.10 0.00 0.00 66.02 64.32 2ahl s SER 90 CO 0.00 -2.90 -0.11 0.26 0.98 0.00 0.00 173.24 171.46 2ahl s TRP 91 N -3.08 1.40 0.15 5.02 0.52 0.25 -0.08 118.94 123.12 2ahl s TRP 91 Ca 0.65 -0.70 -0.08 0.00 0.02 0.00 0.00 56.10 55.98 2ahl s TRP 91 Cb -0.17 -0.69 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 2ahl s TRP 91 CO 0.56 0.16 0.25 0.96 0.02 0.00 0.00 176.95 178.90 2ahl s ILE 92 N -3.22 0.08 0.23 2.03 -4.36 -0.46 -0.92 121.20 114.58 2ahl s ILE 92 Ca 0.18 -1.42 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 2ahl s ILE 92 Cb 0.02 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 2ahl s ILE 92 CO 0.02 -0.36 0.04 -0.94 0.24 0.00 0.00 174.94 173.95 2ahl s SER 93 N -2.96 1.45 0.57 4.36 1.04 -1.21 -0.50 113.70 116.44 2ahl s SER 93 Ca 0.16 -1.28 0.28 0.00 0.48 0.00 0.00 55.95 55.60 2ahl s SER 93 Cb 0.04 0.09 1.69 0.00 0.10 0.00 0.00 66.02 67.94 2ahl s SER 93 CO -0.01 -0.61 2.20 1.62 0.98 0.00 0.00 173.24 177.41 2ahl h VAL 94 N 2.48 0.57 -0.04 5.02 3.04 -1.29 -0.93 116.25 125.09 2ahl h VAL 94 Ca -0.38 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2ahl h VAL 94 Cb 1.23 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 2ahl h VAL 94 CO 0.63 0.04 0.00 1.33 -1.01 0.00 0.00 177.57 178.56 2ahl n VAL 95 N -3.83 0.04 -2.80 1.51 0.24 -1.26 -4.24 118.33 107.99 2ahl n VAL 95 Ca -0.03 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 61.89 2ahl n VAL 95 Cb 0.13 0.53 0.07 0.00 -1.47 0.00 0.00 33.84 33.10 2ahl n VAL 95 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2ahl n SER 96 N 0.27 -1.98 0.00 -1.34 2.88 -0.55 -4.96 113.62 107.93 2ahl n SER 96 Ca 0.18 -3.55 0.13 0.00 -1.33 0.00 0.00 58.87 54.30 2ahl n SER 96 Cb 0.37 1.56 0.62 0.00 -0.75 0.00 0.00 64.21 66.00 2ahl n SER 96 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2ahl n HIS 97 N 0.54 0.00 -0.06 0.66 -0.00 -0.46 -3.31 115.22 112.59 2ahl n HIS 97 Ca 0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.83 2ahl n HIS 97 Cb 0.68 -0.43 0.06 0.00 -0.00 0.00 0.00 29.99 30.30 2ahl n HIS 97 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2ahl n TYR 98 N -1.43 0.17 -3.82 1.57 4.02 -1.26 -4.87 117.16 111.54 2ahl n TYR 98 Ca 0.09 -0.48 -0.29 0.00 -0.01 0.00 0.00 57.90 57.21 2ahl n TYR 98 Cb 0.29 -0.04 -0.13 0.00 -0.02 0.00 0.00 39.34 39.44 2ahl n TYR 98 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2ahl s ASP 99 N -0.98 4.07 0.35 7.72 2.15 -1.24 -5.11 116.67 123.63 2ahl s ASP 99 Ca 0.09 -3.26 -0.29 0.00 0.43 0.00 0.00 52.55 49.53 2ahl s ASP 99 Cb 0.05 -1.38 -0.11 0.00 -0.30 0.00 0.00 42.92 41.18 2ahl s ASP 99 CO 0.06 -0.18 1.51 -2.84 -0.17 0.00 0.00 175.17 173.55 2ahl s PRO 100 N -0.56 4.12 0.15 4.34 0.02 -1.26 -4.81 135.00 137.00 2ahl s PRO 100 Ca 0.22 2.56 0.07 0.00 0.02 0.00 0.00 61.00 63.87 2ahl s PRO 100 Cb -0.14 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.35 2ahl s PRO 100 CO -0.08 -0.55 -0.16 0.14 -0.33 0.00 0.00 177.00 176.02 2ahl s VAL 101 N -0.80 1.60 0.41 3.83 -7.23 -0.10 -4.90 120.40 113.21 2ahl s VAL 101 Ca 0.56 -1.86 0.12 0.00 -1.81 0.00 0.00 61.98 58.99 2ahl s VAL 101 Cb -0.47 -1.73 0.33 0.00 0.56 0.00 0.00 36.38 35.07 2ahl s VAL 101 CO 0.58 -0.38 1.95 1.55 -0.31 0.00 0.00 175.10 178.49 2ahl h PRO 102 N 3.31 0.50 -4.31 4.82 0.13 -1.91 0.72 132.00 135.25 2ahl h PRO 102 Ca -0.41 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 2ahl h PRO 102 Cb 1.20 -0.11 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 2ahl h PRO 102 CO 0.52 0.33 -0.50 0.95 -0.23 0.00 0.00 178.00 179.06 2ahl s THR 103 N -5.49 0.03 0.24 1.56 -4.23 -1.26 -4.52 115.64 101.98 2ahl s THR 103 Ca -0.08 -1.81 -0.05 0.00 -1.18 0.00 0.00 61.69 58.57 2ahl s THR 103 Cb 0.20 -2.28 0.16 0.00 1.34 0.00 0.00 72.50 71.93 2ahl s THR 103 CO 0.76 -0.13 1.80 -0.65 -0.54 0.00 0.00 174.62 175.87 2ahl h PRO 104 N 2.60 1.05 -0.69 3.99 0.11 -1.94 -1.12 132.00 136.00 2ahl h PRO 104 Ca -0.34 -0.20 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2ahl h PRO 104 Cb 1.24 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 2ahl h PRO 104 CO 0.51 0.87 0.23 -0.09 -0.21 0.00 0.00 178.00 179.31 2ahl h ARG 105 N 1.02 1.06 -0.88 1.05 2.43 -1.96 -0.20 114.38 116.88 2ahl h ARG 105 Ca 0.23 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2ahl h ARG 105 Cb 0.24 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2ahl h ARG 105 CO -0.01 0.89 0.57 0.00 -1.51 0.00 0.00 179.97 179.91 2ahl h ALA 106 N 1.23 1.12 -0.65 2.80 0.00 -1.79 0.02 119.26 121.98 2ahl h ALA 106 Ca 0.23 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2ahl h ALA 106 Cb 0.27 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2ahl h ALA 106 CO -0.01 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.86 2ahl h ALA 107 N 1.31 0.90 -0.47 0.00 0.00 -0.38 -0.27 119.26 120.35 2ahl h ALA 107 Ca 0.32 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2ahl h ALA 107 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2ahl h ALA 107 CO -0.07 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.89 2ahl h ALA 108 N 1.05 0.63 -0.61 0.00 0.00 -0.46 -1.00 119.26 118.86 2ahl h ALA 108 Ca 0.20 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2ahl h ALA 108 Cb 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2ahl h ALA 108 CO 0.02 0.39 0.11 0.00 0.00 0.00 0.00 179.25 179.77 2ahl h ARG 109 N 0.66 0.99 -0.45 0.00 3.08 -0.88 -1.27 114.38 116.52 2ahl h ARG 109 Ca 0.14 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2ahl h ARG 109 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2ahl h ARG 109 CO 0.02 0.91 0.03 0.00 -1.07 0.00 0.00 179.97 179.85 2ahl h ALA 110 N 1.17 1.21 -0.08 0.04 0.00 -0.73 -1.19 119.26 119.69 2ahl h ALA 110 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2ahl h ALA 110 Cb 0.40 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ahl h ALA 110 CO 0.01 0.53 0.01 0.00 0.00 0.00 0.00 179.25 179.79 2ahl h ALA 111 N 1.35 0.10 -0.86 0.00 0.00 -0.57 -0.84 119.26 118.45 2ahl h ALA 111 Ca 0.14 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2ahl h ALA 111 Cb 0.38 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2ahl h ALA 111 CO 0.01 -0.23 0.53 0.28 0.00 0.00 0.00 179.25 179.84 2ahl h VAL 112 N -0.13 1.05 -0.04 0.00 2.07 -1.02 0.61 116.25 118.78 2ahl h VAL 112 Ca 0.02 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2ahl h VAL 112 Cb 0.31 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2ahl h VAL 112 CO 0.00 0.18 -0.02 0.44 0.02 0.00 0.00 177.57 178.19 2ahl h ASP 113 N 0.98 -0.07 -0.94 0.57 3.32 -1.02 -2.89 116.42 116.37 2ahl h ASP 113 Ca 0.37 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 2ahl h ASP 113 Cb 0.16 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 2ahl h ASP 113 CO -0.17 -0.03 0.56 -0.08 -1.72 0.00 0.00 179.24 177.80 2ahl h GLU 114 N -0.02 1.28 0.00 3.56 4.22 -0.27 -3.05 114.58 120.29 2ahl h GLU 114 Ca 0.02 -0.12 -0.05 0.00 0.08 0.00 0.00 59.36 59.30 2ahl h GLU 114 Cb 0.06 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2ahl h GLU 114 CO -0.05 0.90 -0.22 -0.07 -2.18 0.00 0.00 179.01 177.38 2ahl h LEU 115 N 1.29 0.00 -2.00 1.64 3.38 -0.71 -3.47 115.31 115.44 2ahl h LEU 115 Ca 0.33 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.79 2ahl h LEU 115 Cb -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2ahl h LEU 115 CO -0.06 0.22 -0.90 0.00 0.09 0.00 0.00 178.44 177.79 2ahl n GLN 116 N -3.62 -2.96 0.00 1.13 6.02 -1.11 -1.19 117.38 115.64 2ahl n GLN 116 Ca -0.01 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 2ahl n GLN 116 Cb 0.35 -4.40 0.00 0.00 1.02 0.00 0.00 30.24 27.21 2ahl n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ahl n GLY 117 N -2.03 2.51 3.77 1.08 0.00 -1.26 -5.03 105.19 104.22 2ahl n GLY 117 Ca -0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2ahl n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ahl s ALA 118 N -2.37 3.34 0.68 4.61 0.00 -0.34 -5.00 121.76 122.67 2ahl s ALA 118 Ca 0.00 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 52.77 2ahl s ALA 118 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.76 2ahl s ALA 118 CO 0.00 -0.35 1.20 -2.14 0.00 0.00 0.00 175.76 174.47 2ahl s PRO 119 N -1.81 2.49 0.07 0.00 0.02 -1.26 -4.90 135.00 129.62 2ahl s PRO 119 Ca 0.49 1.76 -0.16 0.00 0.02 0.00 0.00 61.00 63.11 2ahl s PRO 119 Cb -0.32 -1.88 -0.06 0.00 0.02 0.00 0.00 34.50 32.26 2ahl s PRO 119 CO 0.42 -1.57 0.51 -1.17 -0.33 0.00 0.00 177.00 174.86 2ahl s LEU 120 N -4.75 4.45 0.00 -5.54 0.20 -1.26 -5.12 118.68 106.66 2ahl s LEU 120 Ca 0.75 1.10 0.27 0.00 0.69 0.00 0.00 54.13 56.94 2ahl s LEU 120 Cb -0.29 -2.92 0.85 0.00 -0.43 0.00 0.00 46.19 43.39 2ahl s LEU 120 CO 0.41 0.23 1.63 0.18 -0.29 0.00 0.00 176.35 178.51