#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8a s ASN 50 N 0.00 -0.65 0.00 0.00 2.47 -1.26 -5.17 114.94 110.33 2k8a s ASN 50 Ca 0.00 1.21 0.00 0.00 0.42 0.00 0.00 52.86 54.49 2k8a s ASN 50 Cb 0.00 1.23 0.00 0.00 -1.45 0.00 0.00 41.25 41.03 2k8a s ASN 50 CO 0.00 -0.20 0.00 0.00 -3.72 0.00 0.00 177.10 173.18 2k8a n GLN 51 N 2.79 2.99 0.05 0.43 1.13 -1.26 -5.10 117.38 118.40 2k8a n GLN 51 Ca -0.14 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.91 2k8a n GLN 51 Cb 0.56 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.91 2k8a n GLN 51 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2k8a n GLN 52 N 0.00 0.00 -2.56 -1.09 6.02 -1.26 -5.12 117.38 113.37 2k8a n GLN 52 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2k8a n GLN 52 Cb 0.00 -0.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.75 2k8a n GLN 52 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2k8a n THR 53 N -3.46 -5.12 -1.52 5.09 -2.24 -1.26 -4.78 114.28 100.99 2k8a n THR 53 Ca -0.00 1.08 -0.30 0.00 -2.27 0.00 0.00 64.05 62.56 2k8a n THR 53 Cb 0.04 -3.61 0.19 0.00 -2.10 0.00 0.00 70.33 64.85 2k8a n THR 53 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k8a s SER 54 N -0.23 2.53 0.00 3.42 0.15 -1.26 -4.10 113.70 114.21 2k8a s SER 54 Ca -0.06 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2k8a s SER 54 Cb 0.00 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 2k8a s SER 54 CO 0.16 -3.13 0.00 0.61 1.20 0.00 0.00 173.24 172.08 2k8a n GLY 55 N -2.32 1.83 3.93 9.45 0.00 -1.26 -4.92 105.19 111.91 2k8a n GLY 55 Ca 0.12 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2k8a n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8a s LYS 56 N 0.00 3.23 -0.28 1.61 3.01 -1.26 -4.89 119.74 121.17 2k8a s LYS 56 Ca 0.00 -0.20 -0.08 0.00 -1.01 0.00 0.00 55.97 54.67 2k8a s LYS 56 Cb 0.00 -2.48 -0.01 0.00 -1.01 0.00 0.00 37.83 34.33 2k8a s LYS 56 CO 0.00 -0.25 0.10 0.08 0.51 0.00 0.00 175.35 175.79 2k8a s VAL 57 N -2.63 4.35 -0.44 3.17 1.01 0.13 -4.90 120.40 121.07 2k8a s VAL 57 Ca 0.47 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.85 2k8a s VAL 57 Cb -0.10 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.16 2k8a s VAL 57 CO 0.41 0.19 0.86 -0.22 0.00 0.00 0.00 175.10 176.33 2k8a s LEU 58 N 1.59 4.11 -0.17 3.92 2.96 -1.26 -0.58 118.68 129.27 2k8a s LEU 58 Ca 0.05 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2k8a s LEU 58 Cb -0.16 -3.09 0.01 0.00 0.50 0.00 0.00 46.19 43.44 2k8a s LEU 58 CO 0.04 -0.96 -0.17 -0.72 -1.32 0.00 0.00 176.35 173.22 2k8a s TYR 59 N 3.50 2.77 -1.30 5.38 1.13 0.21 -4.71 117.35 124.33 2k8a s TYR 59 Ca 0.34 -1.28 0.00 0.00 -1.41 0.00 0.00 57.07 54.71 2k8a s TYR 59 Cb -0.11 -1.90 0.00 0.00 -1.10 0.00 0.00 41.96 38.85 2k8a s TYR 59 CO 0.24 -0.62 0.00 0.39 -2.51 0.00 0.00 175.55 173.05 2k8a n GLU 60 N 4.31 -1.49 0.00 -3.49 -0.58 -1.26 -0.19 120.64 117.93 2k8a n GLU 60 Ca -0.20 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 2k8a n GLU 60 Cb 0.51 -5.04 0.00 0.00 -0.57 0.00 0.00 31.44 26.34 2k8a n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k8a n GLY 61 N -0.06 0.93 3.30 0.62 0.00 -1.26 -5.09 105.19 103.62 2k8a n GLY 61 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2k8a n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8a s LYS 62 N -0.88 1.16 -0.13 1.61 2.20 0.73 -5.08 119.74 119.36 2k8a s LYS 62 Ca 0.00 -1.20 -0.06 0.00 -0.36 0.00 0.00 55.97 54.35 2k8a s LYS 62 Cb 0.00 -1.43 -0.04 0.00 -1.51 0.00 0.00 37.83 34.85 2k8a s LYS 62 CO 0.00 0.33 0.10 -1.21 -0.36 0.00 0.00 175.35 174.21 2k8a s GLU 63 N -1.99 3.46 0.27 4.03 2.02 -1.26 0.64 118.70 125.88 2k8a s GLU 63 Ca 0.08 -0.23 0.02 0.00 0.02 0.00 0.00 54.97 54.86 2k8a s GLU 63 Cb -0.10 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 2k8a s GLU 63 CO 0.05 0.66 0.13 -0.06 0.02 0.00 0.00 175.26 176.06 2k8a s PHE 64 N -0.72 1.51 0.01 1.61 0.08 0.26 -4.93 117.98 115.81 2k8a s PHE 64 Ca 0.13 -1.29 -0.07 0.00 0.12 0.00 0.00 56.93 55.81 2k8a s PHE 64 Cb -0.12 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.46 2k8a s PHE 64 CO 0.03 -0.46 1.03 -0.44 -0.10 0.00 0.00 175.22 175.28 2k8a h ASP 65 N 2.34 -0.23 -2.59 1.36 3.32 -1.82 0.36 116.42 119.17 2k8a h ASP 65 Ca -0.36 0.01 -0.42 0.00 0.02 0.00 0.00 57.03 56.28 2k8a h ASP 65 Cb 1.25 0.06 -0.37 0.00 0.22 0.00 0.00 39.33 40.48 2k8a h ASP 65 CO 0.56 -0.15 -0.71 -0.31 -1.72 0.00 0.00 179.24 176.91 2k8a s TYR 66 N -3.43 -0.04 0.00 4.55 2.02 -0.08 -3.63 117.35 116.75 2k8a s TYR 66 Ca -0.04 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.09 2k8a s TYR 66 Cb 0.00 -0.64 -0.06 0.00 -0.40 0.00 0.00 41.96 40.86 2k8a s TYR 66 CO 0.12 -0.77 0.54 0.14 -1.57 0.00 0.00 175.55 174.00 2k8a s VAL 67 N 2.22 4.92 0.17 0.71 -7.23 -1.25 -1.16 120.40 118.78 2k8a s VAL 67 Ca 0.08 1.12 -0.14 0.00 -1.81 0.00 0.00 61.98 61.22 2k8a s VAL 67 Cb -0.15 -3.86 -0.07 0.00 0.56 0.00 0.00 36.38 32.85 2k8a s VAL 67 CO -0.27 0.47 0.58 0.12 -0.31 0.00 0.00 175.10 175.69 2k8a s PHE 68 N -0.50 3.58 -0.32 2.82 5.36 0.11 -4.72 117.98 124.31 2k8a s PHE 68 Ca 0.28 1.09 -0.13 0.00 -0.96 0.00 0.00 56.93 57.21 2k8a s PHE 68 Cb -0.18 -2.40 -0.02 0.00 -0.34 0.00 0.00 43.02 40.08 2k8a s PHE 68 CO 0.16 0.39 0.28 -1.12 -1.46 0.00 0.00 175.22 173.47 2k8a s SER 69 N -1.79 6.11 -0.24 6.13 0.01 -1.26 0.85 113.70 123.50 2k8a s SER 69 Ca 0.40 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 57.37 2k8a s SER 69 Cb -0.15 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.90 2k8a s SER 69 CO 0.19 -0.23 0.06 -0.63 0.41 0.00 0.00 173.24 173.04 2k8a s ILE 70 N 1.86 4.21 -0.12 1.44 1.01 0.23 -5.00 121.20 124.83 2k8a s ILE 70 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 2k8a s ILE 70 Cb -0.17 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2k8a s ILE 70 CO 0.11 0.35 0.00 -0.62 0.00 0.00 0.00 174.94 174.78 2k8a s ASP 71 N 1.57 5.18 0.00 3.58 2.15 -1.26 -2.13 116.67 125.76 2k8a s ASP 71 Ca 0.06 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.10 2k8a s ASP 71 Cb -0.15 -1.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 2k8a s ASP 71 CO 0.03 0.29 0.00 0.55 -0.17 0.00 0.00 175.17 175.87 2k8a n VAL 72 N 2.75 0.00 -3.37 1.11 3.14 -1.26 -5.07 118.33 115.63 2k8a n VAL 72 Ca -0.18 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.77 2k8a n VAL 72 Cb 0.53 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.22 2k8a n VAL 72 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2k8a s ASN 73 N -1.27 6.16 -0.20 6.55 0.01 -1.26 -5.05 114.94 119.87 2k8a s ASN 73 Ca 0.00 -0.86 -0.13 0.00 -0.71 0.00 0.00 52.86 51.15 2k8a s ASN 73 Cb 0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 2k8a s ASN 73 CO 0.00 -0.56 0.29 -0.70 -1.51 0.00 0.00 177.10 174.62 2k8a s GLU 74 N 1.92 4.17 0.00 -0.60 2.12 -1.26 -3.74 118.70 121.31 2k8a s GLU 74 Ca 0.08 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2k8a s GLU 74 Cb -0.19 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.70 2k8a s GLU 74 CO 0.11 0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.32 2k8a n GLY 75 N 3.87 0.64 0.00 -1.50 0.00 -1.26 -5.04 105.19 101.91 2k8a n GLY 75 Ca -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2k8a n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8a n GLY 76 N -2.61 3.28 3.73 -0.02 0.00 -1.25 -5.15 105.19 103.19 2k8a n GLY 76 Ca 0.00 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 2k8a n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k8a s PRO 77 N -1.27 4.52 0.40 1.61 0.04 -1.26 -4.94 135.00 134.09 2k8a s PRO 77 Ca 0.00 1.79 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 2k8a s PRO 77 Cb 0.00 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 2k8a s PRO 77 CO 0.00 -0.06 0.75 -1.54 0.04 0.00 0.00 177.00 176.20 2k8a s SER 78 N 0.23 6.50 -0.06 6.66 1.04 -1.26 -4.60 113.70 122.20 2k8a s SER 78 Ca 0.53 1.08 0.01 0.00 0.48 0.00 0.00 55.95 58.04 2k8a s SER 78 Cb -0.31 -2.30 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 2k8a s SER 78 CO 0.34 -0.39 -0.06 -0.31 0.98 0.00 0.00 173.24 173.80 2k8a s TYR 79 N -2.37 2.96 -0.02 5.02 2.02 -0.90 -5.00 117.35 119.05 2k8a s TYR 79 Ca 0.50 0.04 0.07 0.00 -0.37 0.00 0.00 57.07 57.31 2k8a s TYR 79 Cb -0.10 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.73 2k8a s TYR 79 CO 0.32 0.36 -0.24 0.15 -1.57 0.00 0.00 175.55 174.57 2k8a s LYS 80 N -0.90 2.00 -0.65 -0.62 -0.14 -1.26 0.78 119.74 118.94 2k8a s LYS 80 Ca 0.13 -0.85 -0.02 0.00 -1.36 0.00 0.00 55.97 53.87 2k8a s LYS 80 Cb -0.11 -1.90 0.17 0.00 -1.68 0.00 0.00 37.83 34.31 2k8a s LYS 80 CO 0.02 0.49 0.47 -1.17 -0.76 0.00 0.00 175.35 174.41 2k8a s LEU 81 N -0.50 5.16 -0.21 3.17 0.20 0.25 -4.83 118.68 121.92 2k8a s LEU 81 Ca 0.08 -3.03 -0.28 0.00 0.69 0.00 0.00 54.13 51.58 2k8a s LEU 81 Cb -0.10 -1.83 -0.05 0.00 -0.43 0.00 0.00 46.19 43.79 2k8a s LEU 81 CO -0.00 -0.32 2.07 -2.84 -0.29 0.00 0.00 176.35 174.96 2k8a s PRO 82 N -0.33 3.33 -0.17 0.98 0.02 -1.26 0.09 135.00 137.66 2k8a s PRO 82 Ca 0.19 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.13 2k8a s PRO 82 Cb -0.19 -4.29 -0.02 0.00 0.02 0.00 0.00 34.50 30.02 2k8a s PRO 82 CO -0.05 -1.88 -0.06 -0.47 -0.33 0.00 0.00 177.00 174.22 2k8a s TYR 83 N 7.39 2.94 -0.20 6.54 5.04 -0.31 -4.90 117.35 133.86 2k8a s TYR 83 Ca 0.93 -0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 54.88 2k8a s TYR 83 Cb -0.31 -1.97 -0.05 0.00 0.35 0.00 0.00 41.96 39.98 2k8a s TYR 83 CO 0.35 -0.25 0.11 1.21 -1.34 0.00 0.00 175.55 175.63 2k8a s ASN 84 N 0.72 6.00 0.00 4.32 2.47 -1.26 -0.90 114.94 126.29 2k8a s ASN 84 Ca -0.03 0.17 0.13 0.00 0.42 0.00 0.00 52.86 53.54 2k8a s ASN 84 Cb -0.15 -2.05 0.62 0.00 -1.45 0.00 0.00 41.25 38.23 2k8a s ASN 84 CO 0.02 0.17 1.34 0.35 -3.72 0.00 0.00 177.10 175.26 2k8a n THR 85 N 3.60 0.76 1.37 -5.21 -2.24 -1.26 -0.97 114.28 110.32 2k8a n THR 85 Ca -0.16 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 2k8a n THR 85 Cb 0.52 -0.98 0.42 0.00 -2.10 0.00 0.00 70.33 68.19 2k8a n THR 85 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k8a n SER 86 N -1.33 1.84 -4.68 3.42 7.64 -1.26 -4.94 113.62 114.31 2k8a n SER 86 Ca 0.05 -1.60 -0.26 0.00 1.01 0.00 0.00 58.87 58.08 2k8a n SER 86 Cb 0.11 0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 2k8a n SER 86 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k8a s ASP 87 N -2.02 4.86 0.37 6.43 1.01 -0.15 -5.11 116.67 122.07 2k8a s ASP 87 Ca 0.35 -0.38 -0.24 0.00 0.71 0.00 0.00 52.55 52.99 2k8a s ASP 87 Cb 0.21 -1.06 -0.10 0.00 1.01 0.00 0.00 42.92 42.97 2k8a s ASP 87 CO 0.34 0.07 0.95 -1.81 0.21 0.00 0.00 175.17 174.93 2k8a s ASP 88 N -3.06 7.15 0.09 0.27 1.11 -1.26 -4.89 116.67 116.08 2k8a s ASP 88 Ca 0.28 1.77 -0.34 0.00 0.18 0.00 0.00 52.55 54.45 2k8a s ASP 88 Cb -0.09 -2.56 -0.15 0.00 1.07 0.00 0.00 42.92 41.19 2k8a s ASP 88 CO 0.19 -0.21 1.53 1.55 1.18 0.00 0.00 175.17 179.42 2k8a h PRO 89 N 2.59 -0.79 0.00 8.23 0.13 -1.95 0.12 132.00 140.33 2k8a h PRO 89 Ca -0.48 0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2k8a h PRO 89 Cb 1.19 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 2k8a h PRO 89 CO 0.63 -0.53 -0.01 0.11 -0.23 0.00 0.00 178.00 177.97 2k8a h TRP 90 N -0.82 0.00 0.01 1.56 0.09 -1.89 0.22 115.95 115.11 2k8a h TRP 90 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.95 2k8a h TRP 90 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.01 2k8a h TRP 90 CO -0.37 0.01 -0.00 -0.07 0.09 0.00 0.00 178.44 178.10 2k8a h LEU 91 N 0.00 -0.01 -0.39 0.11 3.38 -1.74 -1.93 115.31 114.74 2k8a h LEU 91 Ca -0.00 -0.85 0.02 0.00 0.09 0.00 0.00 57.88 57.14 2k8a h LEU 91 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2k8a h LEU 91 CO 0.00 0.88 0.23 0.74 0.09 0.00 0.00 178.44 180.38 2k8a h THR 92 N -0.93 1.05 -0.49 0.22 2.02 -0.21 0.51 112.91 115.08 2k8a h THR 92 Ca -0.00 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 2k8a h THR 92 Cb 0.86 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 2k8a h THR 92 CO 0.00 0.08 -0.14 0.00 0.37 0.00 0.00 175.52 175.84 2k8a h ALA 93 N 1.17 0.84 -0.65 6.16 0.00 -0.71 -2.12 119.26 123.94 2k8a h ALA 93 Ca 0.15 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2k8a h ALA 93 Cb -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2k8a h ALA 93 CO -0.07 0.65 0.15 -0.92 0.00 0.00 0.00 179.25 179.06 2k8a h TYR 94 N 0.82 1.08 -0.25 0.00 5.03 -1.05 0.26 116.97 122.86 2k8a h TYR 94 Ca 0.13 -0.12 0.01 0.00 2.58 0.00 0.00 58.73 61.33 2k8a h TYR 94 Cb 0.67 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.63 2k8a h TYR 94 CO 0.04 0.89 0.13 -0.97 -1.32 0.00 0.00 178.16 176.93 2k8a h ASN 95 N 0.98 0.21 -0.10 -2.11 -1.24 -0.45 0.20 115.58 113.07 2k8a h ASN 95 Ca 0.21 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.08 2k8a h ASN 95 Cb 0.36 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 2k8a h ASN 95 CO 0.00 0.16 -0.41 0.15 -1.29 0.00 0.00 177.43 176.04 2k8a h PHE 96 N 0.28 0.76 -0.49 0.67 3.57 -1.11 -0.81 116.94 119.81 2k8a h PHE 96 Ca 0.10 -0.23 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 2k8a h PHE 96 Cb 0.01 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2k8a h PHE 96 CO -0.08 0.94 0.22 1.25 -2.23 0.00 0.00 178.31 178.41 2k8a h LEU 97 N 0.52 0.66 -0.54 0.59 5.85 0.01 -0.17 115.31 122.23 2k8a h LEU 97 Ca 0.04 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 2k8a h LEU 97 Cb 0.94 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2k8a h LEU 97 CO 0.08 0.62 -0.44 0.06 -0.34 0.00 0.00 178.44 178.43 2k8a h GLN 98 N 0.65 0.00 -0.23 1.25 3.07 -0.59 0.45 115.11 119.72 2k8a h GLN 98 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.81 2k8a h GLN 98 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.70 2k8a h GLN 98 CO -0.02 0.44 -0.23 -0.22 0.09 0.00 0.00 178.83 178.89 2k8a h LYS 99 N 0.00 0.56 -0.03 0.06 3.11 -0.43 -3.18 116.57 116.66 2k8a h LYS 99 Ca -0.00 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.54 2k8a h LYS 99 Cb 1.12 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.36 2k8a h LYS 99 CO 0.06 0.88 -0.02 -1.71 -2.81 0.00 0.00 179.45 175.85 2k8a n ASN 100 N -4.39 2.82 -3.19 4.20 5.15 -0.14 -4.97 115.26 114.73 2k8a n ASN 100 Ca -0.05 -1.93 -0.15 0.00 -0.60 0.00 0.00 54.58 51.86 2k8a n ASN 100 Cb 0.43 0.02 0.07 0.00 -0.53 0.00 0.00 39.78 39.77 2k8a n ASN 100 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k8a n ASP 101 N 1.18 -6.25 -5.00 1.20 8.00 -0.47 -5.03 116.55 110.17 2k8a n ASP 101 Ca 0.14 -0.68 -0.19 0.00 0.71 0.00 0.00 54.79 54.78 2k8a n ASP 101 Cb 0.57 -5.04 0.02 0.00 -0.02 0.00 0.00 41.12 36.65 2k8a n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k8a s LEU 102 N -5.35 3.58 0.24 0.64 2.01 0.15 -5.02 118.68 114.93 2k8a s LEU 102 Ca 0.42 -0.25 -0.30 0.00 0.01 0.00 0.00 54.13 54.01 2k8a s LEU 102 Cb -0.05 -2.75 -0.09 0.00 0.01 0.00 0.00 46.19 43.31 2k8a s LEU 102 CO 0.71 -0.83 1.01 0.21 1.01 0.00 0.00 176.35 178.46 2k8a s ASN 103 N -4.35 7.48 0.36 2.29 3.84 -1.26 -4.79 114.94 118.51 2k8a s ASN 103 Ca 0.54 2.06 0.22 0.00 0.21 0.00 0.00 52.86 55.89 2k8a s ASN 103 Cb -0.10 -2.61 1.17 0.00 -0.55 0.00 0.00 41.25 39.16 2k8a s ASN 103 CO 0.35 0.01 1.63 -0.65 -2.79 0.00 0.00 177.10 175.65 2k8a h PRO 104 N 4.22 0.00 0.00 0.43 0.11 -1.98 0.11 132.00 134.90 2k8a h PRO 104 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2k8a h PRO 104 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k8a h PRO 104 CO 0.68 0.00 -0.03 1.98 -0.21 0.00 0.00 178.00 180.42 2k8a h MET 105 N 0.00 0.00 0.00 1.05 4.05 -2.04 -2.76 114.93 115.23 2k8a h MET 105 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2k8a h MET 105 Cb 0.19 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 2k8a h MET 105 CO 0.00 0.03 -0.38 0.74 0.23 0.00 0.00 176.91 177.53 2k8a h PHE 106 N 0.00 0.00 -0.51 1.39 0.04 -1.15 -3.35 116.94 113.36 2k8a h PHE 106 Ca -0.00 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 2k8a h PHE 106 Cb 0.46 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.54 2k8a h PHE 106 CO 0.00 0.18 0.12 1.25 -0.60 0.00 0.00 178.31 179.26 2k8a h LEU 107 N 0.00 0.04 -0.67 1.54 5.85 -1.62 -1.46 115.31 119.00 2k8a h LEU 107 Ca -0.01 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2k8a h LEU 107 Cb 1.15 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 2k8a h LEU 107 CO 0.02 0.05 0.34 -0.78 -0.34 0.00 0.00 178.44 177.73 2k8a h ASP 108 N 0.26 0.85 0.42 1.25 3.58 -1.76 0.58 116.42 121.61 2k8a h ASP 108 Ca 0.25 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2k8a h ASP 108 Cb 0.33 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2k8a h ASP 108 CO -0.31 0.73 -0.20 -0.61 -2.88 0.00 0.00 179.24 175.96 2k8a h GLN 109 N 0.92 -0.54 -0.44 0.28 4.15 -1.50 0.75 115.11 118.73 2k8a h GLN 109 Ca 0.23 0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.63 2k8a h GLN 109 Cb 0.08 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2k8a h GLN 109 CO -0.03 -0.35 0.03 -0.39 -1.93 0.00 0.00 178.83 176.15 2k8a h VAL 110 N -0.58 1.26 -0.78 2.39 -1.51 -1.25 -2.57 116.25 113.20 2k8a h VAL 110 Ca -0.06 -0.98 -0.05 0.00 -1.23 0.00 0.00 66.70 64.38 2k8a h VAL 110 Cb 0.44 1.04 -0.03 0.00 -2.13 0.00 0.00 31.29 30.60 2k8a h VAL 110 CO 0.09 0.34 0.30 0.00 -1.23 0.00 0.00 177.57 177.07 2k8a h ALA 111 N 0.92 1.04 -0.63 5.19 0.00 -0.80 -1.10 119.26 123.88 2k8a h ALA 111 Ca 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2k8a h ALA 111 Cb 0.45 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2k8a h ALA 111 CO 0.02 0.67 0.24 0.87 0.00 0.00 0.00 179.25 181.04 2k8a h LYS 112 N 1.14 0.95 -0.51 0.00 6.56 -0.71 0.19 116.57 124.20 2k8a h LYS 112 Ca 0.26 -0.18 -0.02 0.00 -1.06 0.00 0.00 60.65 59.65 2k8a h LYS 112 Cb 0.24 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.72 2k8a h LYS 112 CO -0.02 0.81 0.23 0.35 -2.06 0.00 0.00 179.45 178.76 2k8a h PHE 113 N 0.89 0.76 -0.33 -1.35 3.04 -1.17 -0.02 116.94 118.75 2k8a h PHE 113 Ca 0.21 -0.05 0.07 0.00 3.98 0.00 0.00 57.97 62.19 2k8a h PHE 113 Cb 0.23 -0.23 -0.08 0.00 2.56 0.00 0.00 35.95 38.43 2k8a h PHE 113 CO 0.01 0.61 -0.23 0.82 -2.02 0.00 0.00 178.31 177.50 2k8a h ILE 114 N 0.68 0.39 0.12 1.41 2.04 -0.72 -2.48 117.51 118.97 2k8a h ILE 114 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.05 2k8a h ILE 114 Cb 0.15 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2k8a h ILE 114 CO -0.02 0.00 -0.27 0.40 0.00 0.00 0.00 178.15 178.26 2k8a h ILE 115 N -0.19 0.40 -0.44 -0.67 2.04 -0.13 -2.71 117.51 115.81 2k8a h ILE 115 Ca 0.17 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.12 2k8a h ILE 115 Cb 0.45 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2k8a h ILE 115 CO -0.44 0.00 0.30 -0.78 0.00 0.00 0.00 178.15 177.23 2k8a h ASP 116 N -0.49 0.15 -0.68 1.72 3.58 -0.73 1.10 116.42 121.07 2k8a h ASP 116 Ca 0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2k8a h ASP 116 Cb 0.52 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2k8a h ASP 116 CO -0.16 0.09 0.41 -1.13 -2.88 0.00 0.00 179.24 175.58 2k8a h ASN 117 N 0.17 0.82 0.36 2.28 -1.24 -1.11 -2.41 115.58 114.45 2k8a h ASN 117 Ca 0.20 -0.06 -0.25 0.00 0.71 0.00 0.00 56.30 56.90 2k8a h ASN 117 Cb 0.59 -0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.39 2k8a h ASN 117 CO -0.03 0.64 -1.85 0.35 -1.29 0.00 0.00 177.43 175.25 2k8a n THR 118 N -4.55 1.26 0.00 -3.57 -2.24 -0.13 -4.53 114.28 100.52 2k8a n THR 118 Ca 0.06 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 2k8a n THR 118 Cb 0.06 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 2k8a n THR 118 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k8a n LYS 119 N -2.83 0.00 0.00 -0.78 4.81 0.36 -5.00 118.16 114.72 2k8a n LYS 119 Ca -0.18 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2k8a n LYS 119 Cb 0.97 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.71 2k8a n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k8a n GLY 120 N -0.88 -1.56 0.00 3.14 0.00 -0.91 -4.46 105.19 100.52 2k8a n GLY 120 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2k8a n GLY 120 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k8a n GLN 121 N 0.00 0.00 0.00 1.61 -0.06 -1.18 -4.47 117.38 113.28 2k8a n GLN 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2k8a n GLN 121 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2k8a n GLN 121 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 2k8a n MET 122 N 0.00 0.00 0.00 3.69 0.00 -1.26 -3.09 117.12 116.46 2k8a n MET 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2k8a n MET 122 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2k8a n MET 122 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2k8a n LEU 123 N 0.00 0.59 0.00 -0.89 7.94 -1.26 -5.02 117.00 118.35 2k8a n LEU 123 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k8a n LEU 123 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k8a n LEU 123 CO 0.00 -0.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.85 2k8a n GLY 124 N 2.49 0.00 0.00 -3.96 0.00 -1.18 -4.57 105.19 97.97 2k8a n GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k8a n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k8a n LEU 125 N 0.00 0.00 0.00 0.99 4.77 -1.20 -4.65 117.00 116.91 2k8a n LEU 125 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k8a n LEU 125 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k8a n LEU 125 CO 0.00 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2k8a n GLY 126 N 5.00 2.10 3.60 -0.72 0.00 -1.26 -3.12 105.19 110.79 2k8a n GLY 126 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 2k8a n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k8a s ASN 127 N 0.00 6.40 0.00 1.61 -0.87 -1.26 -5.14 114.94 115.68 2k8a s ASN 127 Ca 0.00 0.37 0.07 0.00 -1.57 0.00 0.00 52.86 51.73 2k8a s ASN 127 Cb 0.00 -2.28 0.43 0.00 -0.02 0.00 0.00 41.25 39.39 2k8a s ASN 127 CO 0.00 -0.34 0.89 -2.65 -2.57 0.00 0.00 177.10 172.43