#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k89 s ASN 50 N 0.00 6.30 -0.04 0.00 0.01 -1.26 -4.69 114.94 115.26 2k89 s ASN 50 Ca 0.00 -1.03 0.23 0.00 -0.71 0.00 0.00 52.86 51.35 2k89 s ASN 50 Cb 0.00 -2.50 0.41 0.00 0.41 0.00 0.00 41.25 39.57 2k89 s ASN 50 CO 0.00 -1.56 1.15 0.00 -1.51 0.00 0.00 177.10 175.19 2k89 n GLN 51 N 8.45 0.25 -2.83 -0.60 10.64 -1.26 -5.00 117.38 127.03 2k89 n GLN 51 Ca 0.11 -2.11 -0.44 0.00 -1.83 0.00 0.00 57.00 52.72 2k89 n GLN 51 Cb 0.48 -0.17 -0.00 0.00 -0.86 0.00 0.00 30.24 29.69 2k89 n GLN 51 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2k89 s GLN 52 N -0.50 4.05 0.66 2.61 1.11 -1.26 -4.95 119.66 121.38 2k89 s GLN 52 Ca 0.30 -2.37 -0.18 0.00 0.01 0.00 0.00 55.36 53.12 2k89 s GLN 52 Cb 0.35 -5.21 -0.00 0.00 -1.01 0.00 0.00 33.01 27.13 2k89 s GLN 52 CO -0.14 -1.93 1.29 0.99 0.01 0.00 0.00 175.29 175.51 2k89 s THR 53 N 2.46 2.03 -2.58 -0.19 2.01 -1.26 -4.92 115.64 113.19 2k89 s THR 53 Ca 0.46 0.02 0.27 0.00 0.31 0.00 0.00 61.69 62.75 2k89 s THR 53 Cb -0.01 -2.96 0.49 0.00 0.01 0.00 0.00 72.50 70.03 2k89 s THR 53 CO 0.02 -0.00 1.66 -1.54 -0.69 0.00 0.00 174.62 174.07 2k89 n SER 54 N -2.02 1.77 -3.25 3.53 3.41 -1.26 -4.35 113.62 111.44 2k89 n SER 54 Ca 0.16 -1.59 -0.25 0.00 -0.26 0.00 0.00 58.87 56.93 2k89 n SER 54 Cb 0.48 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 2k89 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k89 n GLY 55 N 1.20 2.59 3.74 5.00 0.00 -1.26 -5.12 105.19 111.35 2k89 n GLY 55 Ca 0.18 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 2k89 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k89 s LYS 56 N -0.76 4.79 -0.23 1.61 -0.14 -1.26 -4.74 119.74 119.01 2k89 s LYS 56 Ca 0.34 1.46 -0.15 0.00 -1.36 0.00 0.00 55.97 56.26 2k89 s LYS 56 Cb 0.13 -3.31 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 2k89 s LYS 56 CO -0.14 0.42 0.39 0.08 -0.76 0.00 0.00 175.35 175.33 2k89 s VAL 57 N -0.78 5.19 -0.41 3.17 1.01 0.27 -4.81 120.40 124.05 2k89 s VAL 57 Ca 0.43 0.64 -0.20 0.00 0.00 0.00 0.00 61.98 62.85 2k89 s VAL 57 Cb -0.25 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.43 2k89 s VAL 57 CO 0.31 0.21 0.62 -0.22 0.00 0.00 0.00 175.10 176.02 2k89 s LEU 58 N 1.63 4.44 -0.28 3.92 2.96 -1.26 -0.47 118.68 129.62 2k89 s LEU 58 Ca 0.17 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 2k89 s LEU 58 Cb -0.15 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 2k89 s LEU 58 CO 0.08 -0.69 0.10 -0.72 -1.32 0.00 0.00 176.35 173.81 2k89 s TYR 59 N 2.71 3.13 0.00 5.38 1.13 0.64 -4.81 117.35 125.53 2k89 s TYR 59 Ca 0.22 -0.60 0.00 0.00 -1.41 0.00 0.00 57.07 55.28 2k89 s TYR 59 Cb -0.14 -2.28 0.00 0.00 -1.10 0.00 0.00 41.96 38.44 2k89 s TYR 59 CO 0.17 -0.44 0.00 0.39 -2.51 0.00 0.00 175.55 173.16 2k89 n GLU 60 N 4.93 0.00 0.00 -3.49 -0.58 -1.26 -1.64 120.64 118.59 2k89 n GLU 60 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2k89 n GLU 60 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.37 2k89 n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k89 n GLY 61 N 0.00 0.97 3.40 0.62 0.00 -1.26 -5.13 105.19 103.79 2k89 n GLY 61 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2k89 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k89 s LYS 62 N 0.00 1.45 -0.09 1.61 2.20 -0.65 -5.10 119.74 119.14 2k89 s LYS 62 Ca 0.00 -1.36 -0.02 0.00 -0.36 0.00 0.00 55.97 54.23 2k89 s LYS 62 Cb 0.00 -1.91 -0.03 0.00 -1.51 0.00 0.00 37.83 34.38 2k89 s LYS 62 CO 0.00 0.45 -0.00 -1.21 -0.36 0.00 0.00 175.35 174.23 2k89 s GLU 63 N -2.14 3.06 0.22 4.03 2.02 -1.26 -0.26 118.70 124.37 2k89 s GLU 63 Ca 0.15 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.73 2k89 s GLU 63 Cb -0.10 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 2k89 s GLU 63 CO 0.07 0.65 0.14 -0.06 0.02 0.00 0.00 175.26 176.08 2k89 s PHE 64 N -0.74 1.29 0.03 1.61 0.08 0.39 -4.90 117.98 115.73 2k89 s PHE 64 Ca 0.12 -1.37 -0.17 0.00 0.12 0.00 0.00 56.93 55.63 2k89 s PHE 64 Cb -0.12 -0.64 -0.09 0.00 -0.57 0.00 0.00 43.02 41.61 2k89 s PHE 64 CO 0.02 -0.60 1.25 -0.44 -0.10 0.00 0.00 175.22 175.35 2k89 h ASP 65 N 2.53 -0.54 -3.35 1.36 5.19 -1.75 0.79 116.42 120.65 2k89 h ASP 65 Ca -0.35 0.02 -0.36 0.00 -0.62 0.00 0.00 57.03 55.72 2k89 h ASP 65 Cb 1.25 0.15 -0.38 0.00 0.18 0.00 0.00 39.33 40.53 2k89 h ASP 65 CO 0.53 -0.35 -0.74 -0.31 -3.12 0.00 0.00 179.24 175.25 2k89 s TYR 66 N -4.31 0.12 -0.06 4.55 2.02 -0.31 -3.70 117.35 115.66 2k89 s TYR 66 Ca -0.09 0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2k89 s TYR 66 Cb 0.01 -0.47 -0.03 0.00 -0.40 0.00 0.00 41.96 41.07 2k89 s TYR 66 CO 0.26 -0.18 -0.00 0.14 -1.57 0.00 0.00 175.55 174.20 2k89 s VAL 67 N 1.92 4.26 0.52 0.71 -7.23 -1.26 -0.34 120.40 118.98 2k89 s VAL 67 Ca 0.02 -0.34 -0.02 0.00 -1.81 0.00 0.00 61.98 59.84 2k89 s VAL 67 Cb -0.12 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 34.02 2k89 s VAL 67 CO -0.03 0.55 0.77 -0.36 -0.31 0.00 0.00 175.10 175.72 2k89 s PHE 68 N -0.93 3.14 -0.22 2.82 0.40 0.71 -4.72 117.98 119.18 2k89 s PHE 68 Ca 0.15 0.30 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 2k89 s PHE 68 Cb -0.11 -2.57 -0.00 0.00 0.51 0.00 0.00 43.02 40.85 2k89 s PHE 68 CO 0.04 -0.65 -0.07 0.45 0.70 0.00 0.00 175.22 175.70 2k89 s SER 69 N -4.30 4.13 -0.12 1.36 0.15 -1.26 -0.41 113.70 113.25 2k89 s SER 69 Ca 0.52 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.72 2k89 s SER 69 Cb -0.10 -1.69 0.01 0.00 -1.71 0.00 0.00 66.02 62.52 2k89 s SER 69 CO 0.40 -0.03 -0.19 -0.63 1.20 0.00 0.00 173.24 174.00 2k89 s ILE 70 N 1.44 1.80 -0.21 6.45 1.01 0.12 -4.98 121.20 126.83 2k89 s ILE 70 Ca 0.05 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 2k89 s ILE 70 Cb -0.14 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 2k89 s ILE 70 CO -0.05 0.50 0.16 -1.81 0.00 0.00 0.00 174.94 173.74 2k89 s ASP 71 N 0.86 6.21 0.11 3.58 1.01 -1.26 -0.10 116.67 127.07 2k89 s ASP 71 Ca -0.08 0.23 -0.13 0.00 0.71 0.00 0.00 52.55 53.27 2k89 s ASP 71 Cb -0.15 -2.11 -0.10 0.00 1.01 0.00 0.00 42.92 41.57 2k89 s ASP 71 CO -0.01 0.13 1.39 1.62 0.21 0.00 0.00 175.17 178.51 2k89 h VAL 72 N 4.79 1.29 0.00 -1.27 3.04 -1.97 -3.48 116.25 118.66 2k89 h VAL 72 Ca -0.40 -1.63 0.00 0.00 -1.01 0.00 0.00 66.70 63.66 2k89 h VAL 72 Cb 1.16 1.67 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 2k89 h VAL 72 CO 0.73 0.53 0.00 -3.20 -1.01 0.00 0.00 177.57 174.61 2k89 n ASN 73 N -4.13 0.00 -4.78 3.17 2.85 -1.26 -5.11 115.26 106.00 2k89 n ASN 73 Ca -0.05 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.02 2k89 n ASN 73 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 2k89 n ASN 73 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2k89 s GLU 74 N 0.00 4.03 -0.46 1.20 2.02 -1.26 -4.83 118.70 119.39 2k89 s GLU 74 Ca 0.00 2.58 -0.04 0.00 0.02 0.00 0.00 54.97 57.53 2k89 s GLU 74 Cb 0.00 -2.92 -0.08 0.00 0.10 0.00 0.00 34.13 31.24 2k89 s GLU 74 CO 0.00 -0.60 1.94 0.41 0.02 0.00 0.00 175.26 177.03 2k89 n GLY 75 N 0.45 2.51 0.00 -1.39 0.00 -1.26 -4.57 105.19 100.93 2k89 n GLY 75 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2k89 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k89 n GLY 76 N 3.40 4.53 3.80 -0.02 0.00 -1.26 -4.87 105.19 110.77 2k89 n GLY 76 Ca 0.30 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 2k89 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k89 s PRO 77 N -4.45 4.35 0.32 1.61 0.04 -1.26 -4.99 135.00 130.62 2k89 s PRO 77 Ca 0.00 0.99 -0.25 0.00 0.04 0.00 0.00 61.00 61.78 2k89 s PRO 77 Cb 0.00 -2.92 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 2k89 s PRO 77 CO 0.00 0.40 0.92 -1.12 0.04 0.00 0.00 177.00 177.24 2k89 s SER 78 N -1.58 7.26 0.21 6.66 0.01 -1.26 -4.54 113.70 120.47 2k89 s SER 78 Ca 0.43 1.77 0.05 0.00 1.31 0.00 0.00 55.95 59.52 2k89 s SER 78 Cb -0.18 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 2k89 s SER 78 CO 0.22 -0.09 0.22 -0.31 0.41 0.00 0.00 173.24 173.69 2k89 s TYR 79 N -1.66 3.23 0.04 2.43 2.02 0.85 -4.95 117.35 119.31 2k89 s TYR 79 Ca 0.51 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.22 2k89 s TYR 79 Cb -0.17 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 2k89 s TYR 79 CO 0.22 0.51 -0.13 0.15 -1.57 0.00 0.00 175.55 174.73 2k89 s LYS 80 N -3.53 0.88 -0.49 -0.62 -0.14 -1.26 0.11 119.74 114.69 2k89 s LYS 80 Ca 0.33 -0.72 -0.00 0.00 -1.36 0.00 0.00 55.97 54.21 2k89 s LYS 80 Cb -0.09 -0.87 0.13 0.00 -1.68 0.00 0.00 37.83 35.32 2k89 s LYS 80 CO 0.26 0.21 0.27 -1.17 -0.76 0.00 0.00 175.35 174.16 2k89 s LEU 81 N -1.10 4.97 0.03 3.17 0.20 0.46 -4.81 118.68 121.59 2k89 s LEU 81 Ca 0.01 -2.54 -0.30 0.00 0.69 0.00 0.00 54.13 51.99 2k89 s LEU 81 Cb -0.08 -1.76 -0.08 0.00 -0.43 0.00 0.00 46.19 43.84 2k89 s LEU 81 CO 0.01 -0.39 1.74 -2.84 -0.29 0.00 0.00 176.35 174.58 2k89 s PRO 82 N 0.39 4.17 -0.04 0.98 0.02 -1.26 -0.21 135.00 139.05 2k89 s PRO 82 Ca 0.13 2.38 0.03 0.00 0.02 0.00 0.00 61.00 63.57 2k89 s PRO 82 Cb -0.22 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.45 2k89 s PRO 82 CO -0.04 -0.83 -0.14 -0.47 -0.33 0.00 0.00 177.00 175.19 2k89 s TYR 83 N 3.50 1.49 -0.09 6.54 5.04 0.54 -4.89 117.35 129.48 2k89 s TYR 83 Ca 0.78 -0.45 0.01 0.00 -2.44 0.00 0.00 57.07 54.97 2k89 s TYR 83 Cb -0.39 -1.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.87 2k89 s TYR 83 CO 0.34 -0.18 -0.11 1.21 -1.34 0.00 0.00 175.55 175.47 2k89 s ASN 84 N 0.20 4.24 0.22 4.32 3.84 -1.26 -1.16 114.94 125.34 2k89 s ASN 84 Ca -0.06 -0.19 0.24 0.00 0.21 0.00 0.00 52.86 53.05 2k89 s ASN 84 Cb -0.12 -1.28 0.92 0.00 -0.55 0.00 0.00 41.25 40.23 2k89 s ASN 84 CO 0.02 0.27 1.72 0.35 -2.79 0.00 0.00 177.10 176.67 2k89 n THR 85 N 2.83 0.75 1.10 -5.21 -2.24 -1.26 -1.13 114.28 109.11 2k89 n THR 85 Ca -0.18 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 2k89 n THR 85 Cb 0.53 -0.97 0.40 0.00 -2.10 0.00 0.00 70.33 68.19 2k89 n THR 85 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k89 n SER 86 N -2.16 0.45 -4.85 3.42 7.64 -1.26 -4.90 113.62 111.96 2k89 n SER 86 Ca 0.03 -0.22 -0.28 0.00 1.01 0.00 0.00 58.87 59.41 2k89 n SER 86 Cb 0.28 0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.46 2k89 n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k89 s ASP 87 N -2.85 5.88 0.32 6.43 2.15 -0.29 -5.09 116.67 123.22 2k89 s ASP 87 Ca 0.16 0.04 -0.25 0.00 0.43 0.00 0.00 52.55 52.93 2k89 s ASP 87 Cb 0.18 -1.66 -0.10 0.00 -0.30 0.00 0.00 42.92 41.04 2k89 s ASP 87 CO 0.60 0.10 0.93 -0.62 -0.17 0.00 0.00 175.17 176.02 2k89 s ASP 88 N -2.90 7.30 0.13 -0.34 2.15 -1.26 -4.86 116.67 116.90 2k89 s ASP 88 Ca 0.32 1.80 -0.31 0.00 0.43 0.00 0.00 52.55 54.79 2k89 s ASP 88 Cb -0.11 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.85 2k89 s ASP 88 CO 0.25 -0.07 1.52 1.55 -0.17 0.00 0.00 175.17 178.25 2k89 h PRO 89 N 3.13 -0.27 -0.08 4.34 0.13 -1.94 0.29 132.00 137.60 2k89 h PRO 89 Ca -0.47 0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 2k89 h PRO 89 Cb 1.19 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2k89 h PRO 89 CO 0.65 -0.18 -0.20 -1.49 -0.23 0.00 0.00 178.00 176.54 2k89 h TRP 90 N -0.28 0.14 -0.16 1.56 6.55 -1.89 0.36 115.95 122.23 2k89 h TRP 90 Ca 0.09 -0.02 -0.10 0.00 0.95 0.00 0.00 58.89 59.81 2k89 h TRP 90 Cb 0.52 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.78 2k89 h TRP 90 CO -0.80 0.33 -0.30 -0.07 -1.05 0.00 0.00 178.44 176.56 2k89 h LEU 91 N 0.13 0.54 -0.15 -4.49 3.38 -1.60 0.29 115.31 113.41 2k89 h LEU 91 Ca 0.02 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2k89 h LEU 91 Cb 0.43 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k89 h LEU 91 CO 0.03 0.98 0.05 0.74 0.09 0.00 0.00 178.44 180.34 2k89 h THR 92 N 0.12 1.17 -0.68 0.22 2.02 0.04 0.15 112.91 115.95 2k89 h THR 92 Ca 0.01 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 2k89 h THR 92 Cb 0.88 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2k89 h THR 92 CO 0.07 0.15 0.31 0.00 0.37 0.00 0.00 175.52 176.42 2k89 h ALA 93 N 0.88 0.88 -0.60 6.16 0.00 -0.30 -1.80 119.26 124.49 2k89 h ALA 93 Ca 0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2k89 h ALA 93 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2k89 h ALA 93 CO -0.00 0.46 0.15 -0.92 0.00 0.00 0.00 179.25 178.94 2k89 h TYR 94 N 0.96 0.97 -0.28 0.00 5.03 -0.32 0.18 116.97 123.50 2k89 h TYR 94 Ca 0.23 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.45 2k89 h TYR 94 Cb 0.14 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.13 2k89 h TYR 94 CO 0.01 0.80 0.18 -0.97 -1.32 0.00 0.00 178.16 176.86 2k89 h ASN 95 N 0.90 0.31 -0.26 -2.11 -0.73 -0.29 0.21 115.58 113.60 2k89 h ASN 95 Ca 0.19 -0.01 -0.17 0.00 1.87 0.00 0.00 56.30 58.19 2k89 h ASN 95 Cb 0.31 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 2k89 h ASN 95 CO -0.00 0.23 -0.49 0.15 -0.37 0.00 0.00 177.43 176.95 2k89 h PHE 96 N 0.37 1.03 -0.40 0.67 3.57 -1.11 -1.34 116.94 119.73 2k89 h PHE 96 Ca 0.11 -0.35 0.02 0.00 3.53 0.00 0.00 57.97 61.28 2k89 h PHE 96 Cb -0.04 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 2k89 h PHE 96 CO -0.06 1.16 0.23 1.25 -2.23 0.00 0.00 178.31 178.65 2k89 h LEU 97 N 0.66 0.37 -0.62 0.59 5.85 -0.24 0.13 115.31 122.04 2k89 h LEU 97 Ca 0.03 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 2k89 h LEU 97 Cb 1.08 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2k89 h LEU 97 CO 0.11 0.26 -0.40 0.06 -0.34 0.00 0.00 178.44 178.13 2k89 h GLN 98 N 0.46 0.63 -0.43 1.25 3.07 -0.61 0.57 115.11 120.06 2k89 h GLN 98 Ca 0.16 -0.32 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 2k89 h GLN 98 Cb 0.02 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.57 2k89 h GLN 98 CO -0.08 0.92 0.22 -0.22 0.09 0.00 0.00 178.83 179.76 2k89 h LYS 99 N 0.52 0.61 -0.01 0.06 3.11 -0.58 -2.82 116.57 117.46 2k89 h LYS 99 Ca 0.04 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2k89 h LYS 99 Cb 0.92 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 2k89 h LYS 99 CO 0.08 0.51 -0.51 -1.71 -2.81 0.00 0.00 179.45 175.01 2k89 n ASN 100 N -4.69 1.54 -2.74 4.20 5.15 -0.03 -4.97 115.26 113.72 2k89 n ASN 100 Ca 0.01 -1.21 -0.13 0.00 -0.60 0.00 0.00 54.58 52.65 2k89 n ASN 100 Cb 0.10 0.47 0.06 0.00 -0.53 0.00 0.00 39.78 39.88 2k89 n ASN 100 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k89 n ASP 101 N -0.50 -2.23 -4.69 1.20 8.00 0.36 -5.04 116.55 113.65 2k89 n ASP 101 Ca 0.09 -0.44 -0.27 0.00 0.71 0.00 0.00 54.79 54.88 2k89 n ASP 101 Cb 0.41 -3.82 0.11 0.00 -0.02 0.00 0.00 41.12 37.80 2k89 n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k89 s LEU 102 N -5.15 2.77 0.20 0.64 2.01 0.17 -5.00 118.68 114.32 2k89 s LEU 102 Ca 0.03 0.33 -0.26 0.00 0.01 0.00 0.00 54.13 54.24 2k89 s LEU 102 Cb -0.01 -2.77 -0.08 0.00 0.01 0.00 0.00 46.19 43.34 2k89 s LEU 102 CO 0.52 -1.96 0.83 0.21 1.01 0.00 0.00 176.35 176.97 2k89 s ASN 103 N -4.65 7.45 0.14 2.29 3.84 -1.26 -4.80 114.94 117.95 2k89 s ASN 103 Ca 0.65 1.74 0.09 0.00 0.21 0.00 0.00 52.86 55.54 2k89 s ASN 103 Cb -0.08 -2.53 0.47 0.00 -0.55 0.00 0.00 41.25 38.55 2k89 s ASN 103 CO 0.47 0.17 1.24 -2.65 -2.79 0.00 0.00 177.10 173.54 2k89 n PRO 104 N 1.46 0.06 0.22 0.43 -0.02 -1.26 -0.46 135.00 135.43 2k89 n PRO 104 Ca -0.04 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 2k89 n PRO 104 Cb 0.48 -1.72 0.53 0.00 -0.02 0.00 0.00 33.50 32.77 2k89 n PRO 104 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2k89 h MET 105 N 0.00 0.00 0.00 -0.52 1.85 -2.05 -2.96 114.93 111.26 2k89 h MET 105 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 2k89 h MET 105 Cb 0.07 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 2k89 h MET 105 CO 0.00 0.24 -0.32 0.74 -0.40 0.00 0.00 176.91 177.17 2k89 h PHE 106 N 0.00 0.00 -0.80 1.39 0.04 -1.15 -3.32 116.94 113.10 2k89 h PHE 106 Ca -0.00 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.88 2k89 h PHE 106 Cb 0.53 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.60 2k89 h PHE 106 CO 0.00 0.16 0.42 1.25 -0.60 0.00 0.00 178.31 179.53 2k89 h LEU 107 N 0.00 0.54 -0.35 1.54 5.85 -1.64 -1.34 115.31 119.91 2k89 h LEU 107 Ca -0.01 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2k89 h LEU 107 Cb 1.13 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2k89 h LEU 107 CO 0.02 0.27 0.05 -0.78 -0.34 0.00 0.00 178.44 177.66 2k89 h ASP 108 N 0.66 0.56 -0.14 1.25 3.58 -1.75 -1.14 116.42 119.43 2k89 h ASP 108 Ca 0.41 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 2k89 h ASP 108 Cb 0.48 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2k89 h ASP 108 CO -0.30 0.68 0.08 -0.61 -2.88 0.00 0.00 179.24 176.21 2k89 h GLN 109 N 0.41 0.20 -0.22 0.28 4.15 -1.47 0.25 115.11 118.71 2k89 h GLN 109 Ca 0.10 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 2k89 h GLN 109 Cb 0.37 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 2k89 h GLN 109 CO 0.01 0.20 -0.22 -0.39 -1.93 0.00 0.00 178.83 176.50 2k89 h VAL 110 N 0.14 1.32 -0.73 2.39 -1.51 -1.30 -2.80 116.25 113.77 2k89 h VAL 110 Ca 0.05 -1.39 -0.05 0.00 -1.23 0.00 0.00 66.70 64.09 2k89 h VAL 110 Cb 0.06 1.72 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 2k89 h VAL 110 CO -0.01 0.43 0.26 0.00 -1.23 0.00 0.00 177.57 177.02 2k89 h ALA 111 N 0.66 1.08 -0.66 5.19 0.00 -1.08 -0.79 119.26 123.66 2k89 h ALA 111 Ca 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2k89 h ALA 111 Cb 0.77 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2k89 h ALA 111 CO 0.05 0.64 0.15 0.87 0.00 0.00 0.00 179.25 180.96 2k89 h LYS 112 N 1.07 1.05 -0.56 0.00 1.79 -0.94 0.16 116.57 119.13 2k89 h LYS 112 Ca 0.24 -0.25 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2k89 h LYS 112 Cb 0.25 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2k89 h LYS 112 CO -0.01 0.93 0.06 0.35 -1.08 0.00 0.00 179.45 179.69 2k89 h PHE 113 N 0.99 1.03 -0.60 -1.35 3.04 -1.18 -1.99 116.94 116.88 2k89 h PHE 113 Ca 0.21 -0.16 0.06 0.00 3.98 0.00 0.00 57.97 62.06 2k89 h PHE 113 Cb 0.37 -0.28 -0.05 0.00 2.56 0.00 0.00 35.95 38.55 2k89 h PHE 113 CO 0.03 0.91 0.30 0.82 -2.02 0.00 0.00 178.31 178.35 2k89 h ILE 114 N 0.85 0.93 -0.33 1.41 2.04 -0.57 -2.65 117.51 119.19 2k89 h ILE 114 Ca 0.17 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2k89 h ILE 114 Cb 0.46 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2k89 h ILE 114 CO 0.02 0.10 0.20 0.40 0.00 0.00 0.00 178.15 178.87 2k89 h ILE 115 N 0.57 1.11 -0.77 -0.67 2.04 -0.36 -2.57 117.51 116.86 2k89 h ILE 115 Ca 0.27 -0.26 0.08 0.00 1.00 0.00 0.00 64.86 65.95 2k89 h ILE 115 Cb 0.20 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2k89 h ILE 115 CO -0.19 0.11 0.50 -0.78 0.00 0.00 0.00 178.15 177.79 2k89 h ASP 116 N 0.43 0.68 -0.86 1.72 1.82 -1.02 1.00 116.42 120.19 2k89 h ASP 116 Ca 0.12 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.80 2k89 h ASP 116 Cb 0.01 -0.14 -0.05 0.00 0.68 0.00 0.00 39.33 39.83 2k89 h ASP 116 CO -0.02 0.43 0.56 -1.13 -1.61 0.00 0.00 179.24 177.47 2k89 h ASN 117 N 0.77 0.93 0.07 2.28 -1.24 -1.23 -0.45 115.58 116.72 2k89 h ASN 117 Ca 0.34 -0.01 -0.37 0.00 0.71 0.00 0.00 56.30 56.97 2k89 h ASN 117 Cb 0.32 -0.21 -0.06 0.00 0.73 0.00 0.00 38.32 39.09 2k89 h ASN 117 CO -0.12 0.65 -2.30 0.35 -1.29 0.00 0.00 177.43 174.72 2k89 n THR 118 N -4.53 1.48 0.38 -3.57 -2.24 -0.62 -4.46 114.28 100.71 2k89 n THR 118 Ca 0.10 -0.75 -0.17 0.00 -2.27 0.00 0.00 64.05 60.96 2k89 n THR 118 Cb 0.07 -0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 67.31 2k89 n THR 118 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2k89 h LYS 119 N 0.01 -1.01 0.00 -0.78 3.64 0.99 -3.46 116.57 115.96 2k89 h LYS 119 Ca -0.51 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2k89 h LYS 119 Cb 2.10 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 34.15 2k89 h LYS 119 CO 0.01 -0.67 0.00 0.41 -2.27 0.00 0.00 179.45 176.92 2k89 n GLY 120 N -1.54 1.08 0.13 5.01 0.00 -0.18 -4.36 105.19 105.32 2k89 n GLY 120 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2k89 n GLY 120 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2k89 h GLN 121 N 0.00 0.37 0.00 1.61 4.15 -1.90 0.45 115.11 119.79 2k89 h GLN 121 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 58.65 58.82 2k89 h GLN 121 Cb 0.00 0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2k89 h GLN 121 CO 0.00 1.28 0.00 0.00 -1.93 0.00 0.00 178.83 178.18 2k89 h MET 122 N -0.22 0.00 0.00 1.69 -0.00 -1.97 -3.37 114.93 111.06 2k89 h MET 122 Ca -0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.30 2k89 h MET 122 Cb 1.73 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 33.29 2k89 h MET 122 CO 0.18 0.00 -1.33 -0.11 -0.00 0.00 0.00 176.91 175.64 2k89 n LEU 123 N -3.00 1.87 0.00 -0.10 7.94 -1.20 -5.03 117.00 117.48 2k89 n LEU 123 Ca 0.04 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2k89 n LEU 123 Cb 0.50 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.51 2k89 n LEU 123 CO 0.33 0.25 0.00 0.61 -1.11 0.00 0.00 177.39 177.47 2k89 n GLY 124 N 1.43 1.02 7.00 -3.96 0.00 0.12 -5.08 105.19 105.72 2k89 n GLY 124 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2k89 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k89 n LEU 125 N 0.00 0.00 0.00 0.99 4.77 0.10 -5.03 117.00 117.83 2k89 n LEU 125 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k89 n LEU 125 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k89 n LEU 125 CO 0.00 -1.19 0.00 0.61 -1.33 0.00 0.00 177.39 175.48 2k89 n GLY 126 N 0.00 0.68 0.90 -0.72 0.00 -1.26 -4.84 105.19 99.95 2k89 n GLY 126 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 2k89 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k89 n ASN 127 N 0.00 1.00 0.00 1.61 4.13 -1.26 -5.02 115.26 115.72 2k89 n ASN 127 Ca 0.00 0.13 0.09 0.00 1.68 0.00 0.00 54.58 56.49 2k89 n ASN 127 Cb 0.00 -0.33 0.56 0.00 -1.54 0.00 0.00 39.78 38.46 2k89 n ASN 127 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89