#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 6.28 0.10 0.00 2.47 -1.26 -4.93 114.94 117.61 2k8a s ASN 50 Ca 0.00 2.01 0.23 0.00 0.42 0.00 0.00 52.86 55.52 2k8a s ASN 50 Cb 0.00 -2.57 0.91 0.00 -1.45 0.00 0.00 41.25 38.14 2k8a s ASN 50 CO 0.00 -0.82 1.72 0.00 -3.72 0.00 0.00 177.10 174.27 2k8a n GLN 51 N -0.87 0.10 -3.83 0.43 3.00 -1.26 -4.65 117.38 110.30 2k8a n GLN 51 Ca 0.09 0.21 -0.16 0.00 -0.01 0.00 0.00 57.00 57.13 2k8a n GLN 51 Cb 0.52 -1.65 -0.16 0.00 0.00 0.00 0.00 30.24 28.95 2k8a n GLN 51 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2k8a s GLN 52 N -3.09 0.09 -0.40 -1.09 -2.07 -1.26 -5.03 119.66 106.81 2k8a s GLN 52 Ca 0.09 0.15 0.10 0.00 -1.82 0.00 0.00 55.36 53.88 2k8a s GLN 52 Cb 0.13 -0.34 0.38 0.00 -1.09 0.00 0.00 33.01 32.09 2k8a s GLN 52 CO 0.44 -0.16 1.12 2.41 -1.32 0.00 0.00 175.29 177.78 2k8a n THR 53 N 4.17 0.17 -4.59 3.63 -1.04 -1.26 -5.13 114.28 110.22 2k8a n THR 53 Ca -0.27 -2.24 -0.31 0.00 -2.04 0.00 0.00 64.05 59.19 2k8a n THR 53 Cb 0.50 0.90 -0.12 0.00 -1.82 0.00 0.00 70.33 69.78 2k8a n THR 53 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2k8a s SER 54 N -1.77 3.86 -0.68 8.00 0.01 -1.26 -4.62 113.70 117.24 2k8a s SER 54 Ca 0.26 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2k8a s SER 54 Cb 0.37 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2k8a s SER 54 CO -0.05 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.45 2k8a n GLY 55 N 1.42 0.38 3.16 3.44 0.00 -1.26 -5.03 105.19 107.30 2k8a n GLY 55 Ca -0.16 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.75 1.01 0.04 1.61 -0.14 -1.22 -4.31 119.74 112.99 2k8a s LYS 56 Ca 0.00 -0.77 0.08 0.00 -1.36 0.00 0.00 55.97 53.92 2k8a s LYS 56 Cb 0.00 -1.03 -0.03 0.00 -1.68 0.00 0.00 37.83 35.09 2k8a s LYS 56 CO 0.00 0.26 -0.22 0.08 -0.76 0.00 0.00 175.35 174.71 2k8a s VAL 57 N -0.82 2.48 -0.20 3.17 1.01 0.38 -4.93 120.40 121.49 2k8a s VAL 57 Ca 0.03 -1.27 -0.09 0.00 0.00 0.00 0.00 61.98 60.65 2k8a s VAL 57 Cb -0.08 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2k8a s VAL 57 CO 0.01 0.36 0.10 -0.22 0.00 0.00 0.00 175.10 175.35 2k8a s LEU 58 N -1.31 3.96 -0.06 3.92 2.96 -1.26 -0.31 118.68 126.58 2k8a s LEU 58 Ca 0.13 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2k8a s LEU 58 Cb -0.10 -2.02 0.03 0.00 0.50 0.00 0.00 46.19 44.60 2k8a s LEU 58 CO 0.03 0.15 0.03 -0.72 -1.32 0.00 0.00 176.35 174.52 2k8a s TYR 59 N 0.53 0.41 -1.54 5.38 1.13 0.92 -4.84 117.35 119.34 2k8a s TYR 59 Ca 0.05 0.00 0.00 0.00 -1.41 0.00 0.00 57.07 55.72 2k8a s TYR 59 Cb -0.12 -0.67 0.00 0.00 -1.10 0.00 0.00 41.96 40.07 2k8a s TYR 59 CO 0.00 -0.27 0.00 0.39 -2.51 0.00 0.00 175.55 173.16 2k8a n GLU 60 N 5.21 -1.61 0.00 -3.49 1.02 -1.26 -0.55 120.64 119.96 2k8a n GLU 60 Ca -0.05 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 2k8a n GLU 60 Cb 0.50 -5.29 0.00 0.00 -0.02 0.00 0.00 31.44 26.63 2k8a n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k8a n GLY 61 N -0.53 2.88 3.90 0.62 0.00 -1.26 -5.06 105.19 105.73 2k8a n GLY 61 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.96 3.68 -0.12 1.61 2.20 0.28 -5.07 119.74 121.36 2k8a s LYS 62 Ca 0.00 0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.68 2k8a s LYS 62 Cb 0.00 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.63 2k8a s LYS 62 CO 0.00 0.27 -0.11 -1.21 -0.36 0.00 0.00 175.35 173.94 2k8a s GLU 63 N -3.26 3.32 0.32 4.03 2.02 -1.26 -0.06 118.70 123.82 2k8a s GLU 63 Ca 0.45 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.83 2k8a s GLU 63 Cb -0.11 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.40 2k8a s GLU 63 CO 0.27 0.29 0.09 -0.06 0.02 0.00 0.00 175.26 175.87 2k8a s PHE 64 N 0.16 1.78 0.00 1.61 0.08 0.58 -4.93 117.98 117.26 2k8a s PHE 64 Ca -0.06 -1.12 0.00 0.00 0.12 0.00 0.00 56.93 55.87 2k8a s PHE 64 Cb -0.15 -1.12 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 2k8a s PHE 64 CO 0.04 -0.19 0.56 -0.25 -0.10 0.00 0.00 175.22 175.28 2k8a n ASP 65 N -0.77 0.00 -3.67 1.36 9.92 -1.20 0.14 116.55 122.33 2k8a n ASP 65 Ca -0.02 0.72 -0.30 0.00 -0.53 0.00 0.00 54.79 54.66 2k8a n ASP 65 Cb 0.66 -0.42 -0.14 0.00 -0.64 0.00 0.00 41.12 40.59 2k8a n ASP 65 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2k8a s TYR 66 N -1.94 1.62 -0.02 1.24 1.51 0.74 -2.73 117.35 117.76 2k8a s TYR 66 Ca 0.00 -2.01 -0.27 0.00 -1.01 0.00 0.00 57.07 53.78 2k8a s TYR 66 Cb 0.00 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 2k8a s TYR 66 CO 0.00 -0.82 0.87 0.14 -1.11 0.00 0.00 175.55 174.63 2k8a s VAL 67 N 0.96 4.91 0.25 0.71 -7.23 -1.25 -1.83 120.40 116.91 2k8a s VAL 67 Ca 0.15 1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 62.02 2k8a s VAL 67 Cb -0.22 -4.21 -0.08 0.00 0.56 0.00 0.00 36.38 32.44 2k8a s VAL 67 CO -0.09 0.21 0.60 0.12 -0.31 0.00 0.00 175.10 175.63 2k8a s PHE 68 N 0.84 3.43 -0.31 2.82 5.36 0.11 -4.66 117.98 125.57 2k8a s PHE 68 Ca 0.46 0.99 -0.11 0.00 -0.96 0.00 0.00 56.93 57.31 2k8a s PHE 68 Cb -0.20 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.10 2k8a s PHE 68 CO 0.24 0.23 0.19 0.45 -1.46 0.00 0.00 175.22 174.88 2k8a s SER 69 N -2.27 5.89 -0.29 6.13 0.15 -1.26 0.13 113.70 122.18 2k8a s SER 69 Ca 0.48 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.70 2k8a s SER 69 Cb -0.11 -2.09 -0.02 0.00 -1.71 0.00 0.00 66.02 62.08 2k8a s SER 69 CO 0.20 -0.14 0.44 -0.63 1.20 0.00 0.00 173.24 174.31 2k8a s ILE 70 N 1.71 5.11 -0.11 6.45 -1.09 0.34 -4.92 121.20 128.70 2k8a s ILE 70 Ca 0.06 0.55 -0.01 0.00 -2.23 0.00 0.00 60.65 59.02 2k8a s ILE 70 Cb -0.17 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 2k8a s ILE 70 CO 0.09 0.02 -0.06 -1.81 -1.23 0.00 0.00 174.94 171.95 2k8a s ASP 71 N 1.65 4.63 0.00 3.58 1.01 -1.26 -0.17 116.67 126.11 2k8a s ASP 71 Ca 0.17 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.34 2k8a s ASP 71 Cb -0.16 -1.44 0.00 0.00 1.01 0.00 0.00 42.92 42.34 2k8a s ASP 71 CO 0.11 0.27 0.00 0.55 0.21 0.00 0.00 175.17 176.31 2k8a n VAL 72 N 2.83 0.00 -4.08 -1.27 3.14 -1.26 -5.05 118.33 112.64 2k8a n VAL 72 Ca -0.18 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.86 2k8a n VAL 72 Cb 0.53 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.16 2k8a n VAL 72 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2k8a s ASN 73 N -2.16 3.94 -0.00 6.55 3.04 -1.26 -5.07 114.94 119.98 2k8a s ASN 73 Ca 0.00 -0.45 -0.30 0.00 0.04 0.00 0.00 52.86 52.14 2k8a s ASN 73 Cb 0.00 -1.65 -0.06 0.00 -1.54 0.00 0.00 41.25 38.00 2k8a s ASN 73 CO 0.00 0.01 1.52 -1.83 -3.04 0.00 0.00 177.10 173.76 2k8a s GLU 74 N 1.28 4.23 0.00 0.43 1.03 -1.26 -1.27 118.70 123.15 2k8a s GLU 74 Ca 0.03 2.10 0.00 0.00 0.03 0.00 0.00 54.97 57.13 2k8a s GLU 74 Cb -0.14 -3.68 0.00 0.00 -0.80 0.00 0.00 34.13 29.51 2k8a s GLU 74 CO -0.05 -0.68 0.00 0.41 -1.33 0.00 0.00 175.26 173.61 2k8a n GLY 75 N 3.84 0.42 0.00 -3.83 0.00 -1.26 -4.97 105.19 99.40 2k8a n GLY 75 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.64 3.47 3.73 -0.02 0.00 -0.39 -5.07 105.19 105.27 2k8a n GLY 76 Ca 0.00 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.45 4.23 -0.14 1.61 0.04 -1.26 -4.87 135.00 134.17 2k8a s PRO 77 Ca 0.00 2.34 -0.05 0.00 0.04 0.00 0.00 61.00 63.34 2k8a s PRO 77 Cb 0.00 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2k8a s PRO 77 CO 0.00 -0.52 0.03 -1.12 0.04 0.00 0.00 177.00 175.43 2k8a s SER 78 N 0.72 5.38 0.26 6.66 0.01 -1.26 -4.39 113.70 121.08 2k8a s SER 78 Ca 0.64 0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.98 2k8a s SER 78 Cb -0.43 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2k8a s SER 78 CO 0.38 0.27 0.48 -0.31 0.41 0.00 0.00 173.24 174.47 2k8a s TYR 79 N -0.21 3.48 -0.02 2.43 2.02 0.76 -4.87 117.35 120.94 2k8a s TYR 79 Ca 0.06 0.46 0.05 0.00 -0.37 0.00 0.00 57.07 57.28 2k8a s TYR 79 Cb -0.12 -1.96 -0.01 0.00 -0.40 0.00 0.00 41.96 39.47 2k8a s TYR 79 CO 0.02 0.26 -0.18 0.15 -1.57 0.00 0.00 175.55 174.23 2k8a s LYS 80 N -3.57 1.50 -0.64 -0.62 -0.14 -1.25 0.13 119.74 115.14 2k8a s LYS 80 Ca 0.41 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 2k8a s LYS 80 Cb -0.11 -1.42 0.16 0.00 -1.68 0.00 0.00 37.83 34.79 2k8a s LYS 80 CO 0.30 0.35 0.44 -1.17 -0.76 0.00 0.00 175.35 174.52 2k8a s LEU 81 N -0.33 4.94 -0.20 3.17 0.20 0.34 -4.82 118.68 121.99 2k8a s LEU 81 Ca 0.05 -3.17 -0.28 0.00 0.69 0.00 0.00 54.13 51.41 2k8a s LEU 81 Cb -0.08 -1.77 -0.05 0.00 -0.43 0.00 0.00 46.19 43.86 2k8a s LEU 81 CO -0.00 -0.26 2.12 -2.84 -0.29 0.00 0.00 176.35 175.08 2k8a s PRO 82 N -0.52 3.30 -0.09 0.98 0.02 -1.26 0.07 135.00 137.50 2k8a s PRO 82 Ca 0.20 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.27 2k8a s PRO 82 Cb -0.18 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 30.03 2k8a s PRO 82 CO -0.05 -1.91 -0.21 -0.47 -0.33 0.00 0.00 177.00 174.02 2k8a s TYR 83 N 7.58 2.30 -0.12 6.54 5.04 -0.76 -4.89 117.35 133.04 2k8a s TYR 83 Ca 0.96 -0.94 -0.06 0.00 -2.44 0.00 0.00 57.07 54.58 2k8a s TYR 83 Cb -0.33 -1.56 -0.04 0.00 0.35 0.00 0.00 41.96 40.38 2k8a s TYR 83 CO 0.35 -0.40 0.11 -0.80 -1.34 0.00 0.00 175.55 173.48 2k8a s ASN 84 N 0.45 6.14 0.00 4.32 -0.87 -1.26 -0.19 114.94 123.53 2k8a s ASN 84 Ca -0.17 0.38 0.09 0.00 -1.57 0.00 0.00 52.86 51.59 2k8a s ASN 84 Cb -0.17 -1.96 0.42 0.00 -0.02 0.00 0.00 41.25 39.52 2k8a s ASN 84 CO 0.07 0.38 1.26 0.35 -2.57 0.00 0.00 177.10 176.58 2k8a n THR 85 N 2.19 1.17 -0.03 1.60 -2.24 -1.26 -0.55 114.28 115.17 2k8a n THR 85 Ca -0.19 0.29 0.11 0.00 -2.27 0.00 0.00 64.05 61.99 2k8a n THR 85 Cb 0.54 -1.14 0.24 0.00 -2.10 0.00 0.00 70.33 67.88 2k8a n THR 85 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2k8a n SER 86 N -1.43 3.51 -4.68 3.42 3.41 -1.26 -4.98 113.62 111.61 2k8a n SER 86 Ca 0.03 -1.97 -0.27 0.00 -0.26 0.00 0.00 58.87 56.40 2k8a n SER 86 Cb 0.10 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 2k8a n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k8a s ASP 87 N -1.19 4.89 0.26 4.04 1.11 0.29 -5.10 116.67 120.96 2k8a s ASP 87 Ca 0.39 -0.34 -0.28 0.00 0.18 0.00 0.00 52.55 52.50 2k8a s ASP 87 Cb 0.22 -1.09 -0.09 0.00 1.07 0.00 0.00 42.92 43.03 2k8a s ASP 87 CO 0.29 0.09 0.92 -1.81 1.18 0.00 0.00 175.17 175.84 2k8a s ASP 88 N -2.91 7.49 0.09 0.27 1.11 -1.26 -4.89 116.67 116.56 2k8a s ASP 88 Ca 0.28 1.86 -0.35 0.00 0.18 0.00 0.00 52.55 54.52 2k8a s ASP 88 Cb -0.10 -2.58 -0.16 0.00 1.07 0.00 0.00 42.92 41.15 2k8a s ASP 88 CO 0.19 0.07 1.57 1.55 1.18 0.00 0.00 175.17 179.74 2k8a h PRO 89 N 3.77 -0.90 0.00 8.23 0.13 -1.96 0.06 132.00 141.34 2k8a h PRO 89 Ca -0.46 0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.72 2k8a h PRO 89 Cb 1.20 0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.53 2k8a h PRO 89 CO 0.67 -0.60 -0.06 0.11 -0.23 0.00 0.00 178.00 177.88 2k8a h TRP 90 N -0.93 0.00 0.06 1.56 5.08 -1.88 0.16 115.95 120.00 2k8a h TRP 90 Ca -0.05 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.92 2k8a h TRP 90 Cb 0.83 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.99 2k8a h TRP 90 CO -0.28 0.06 -0.03 -0.07 -1.28 0.00 0.00 178.44 176.84 2k8a h LEU 91 N 0.00 -0.07 -0.61 0.11 3.38 -1.84 -2.05 115.31 114.24 2k8a h LEU 91 Ca -0.00 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 57.61 2k8a h LEU 91 Cb 0.18 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 2k8a h LEU 91 CO 0.01 0.61 0.28 0.74 0.09 0.00 0.00 178.44 180.17 2k8a h THR 92 N -0.96 0.86 -0.30 0.22 2.02 -0.56 0.12 112.91 114.30 2k8a h THR 92 Ca -0.01 -0.17 -0.16 0.00 0.77 0.00 0.00 66.41 66.84 2k8a h THR 92 Cb 0.50 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2k8a h THR 92 CO 0.01 0.09 -0.47 0.00 0.37 0.00 0.00 175.52 175.53 2k8a h ALA 93 N 1.37 0.60 -0.56 6.16 0.00 -0.82 -2.63 119.26 123.39 2k8a h ALA 93 Ca 0.29 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2k8a h ALA 93 Cb 0.29 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k8a h ALA 93 CO -0.24 0.68 0.27 -0.92 0.00 0.00 0.00 179.25 179.03 2k8a h TYR 94 N 0.64 0.81 -0.19 0.00 5.03 -0.79 0.23 116.97 122.70 2k8a h TYR 94 Ca 0.03 -0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.36 2k8a h TYR 94 Cb 1.05 -0.25 -0.06 0.00 1.55 0.00 0.00 36.73 39.02 2k8a h TYR 94 CO 0.06 0.63 -0.18 -0.97 -1.32 0.00 0.00 178.16 176.37 2k8a h ASN 95 N 0.76 -0.58 -0.45 -2.11 -1.24 -0.56 0.20 115.58 111.60 2k8a h ASN 95 Ca 0.19 0.11 -0.11 0.00 0.71 0.00 0.00 56.30 57.20 2k8a h ASN 95 Cb 0.12 0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 2k8a h ASN 95 CO -0.02 -0.23 -0.12 0.15 -1.29 0.00 0.00 177.43 175.92 2k8a h PHE 96 N -0.20 1.02 -0.49 0.67 3.57 -1.26 -1.05 116.94 119.21 2k8a h PHE 96 Ca 0.12 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2k8a h PHE 96 Cb 0.38 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2k8a h PHE 96 CO -0.32 0.98 0.27 1.25 -2.23 0.00 0.00 178.31 178.25 2k8a h LEU 97 N 0.82 0.61 -0.46 0.59 5.85 0.27 0.35 115.31 123.33 2k8a h LEU 97 Ca 0.13 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2k8a h LEU 97 Cb 0.65 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2k8a h LEU 97 CO 0.05 0.52 -0.47 0.06 -0.34 0.00 0.00 178.44 178.26 2k8a h GLN 98 N 0.64 0.00 -0.27 1.25 3.07 -0.61 0.61 115.11 119.80 2k8a h GLN 98 Ca 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.84 2k8a h GLN 98 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.60 2k8a h GLN 98 CO -0.03 0.47 -0.11 -0.22 0.09 0.00 0.00 178.83 179.03 2k8a h LYS 99 N 0.00 0.55 -0.08 0.06 3.64 -0.37 -3.09 116.57 117.28 2k8a h LYS 99 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2k8a h LYS 99 Cb 1.17 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2k8a h LYS 99 CO 0.06 0.79 0.00 -1.71 -2.27 0.00 0.00 179.45 176.32 2k8a n ASN 100 N -4.47 2.53 -3.32 4.20 5.15 0.04 -4.96 115.26 114.43 2k8a n ASN 100 Ca -0.04 -1.83 -0.17 0.00 -0.60 0.00 0.00 54.58 51.94 2k8a n ASN 100 Cb 0.35 -0.04 0.06 0.00 -0.53 0.00 0.00 39.78 39.62 2k8a n ASN 100 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k8a n ASP 101 N 0.95 -6.49 -4.99 1.20 -0.08 -0.62 -5.02 116.55 101.51 2k8a n ASP 101 Ca 0.16 -0.73 -0.19 0.00 -1.51 0.00 0.00 54.79 52.52 2k8a n ASP 101 Cb 0.51 -4.87 0.01 0.00 2.34 0.00 0.00 41.12 39.11 2k8a n ASP 101 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2k8a s LEU 102 N -5.49 3.66 0.14 -2.67 2.01 0.20 -5.01 118.68 111.52 2k8a s LEU 102 Ca 0.43 -0.15 -0.30 0.00 0.01 0.00 0.00 54.13 54.12 2k8a s LEU 102 Cb -0.08 -2.81 -0.07 0.00 0.01 0.00 0.00 46.19 43.24 2k8a s LEU 102 CO 0.76 -0.75 1.16 0.21 1.01 0.00 0.00 176.35 178.75 2k8a s ASN 103 N -4.30 7.15 0.34 2.29 2.47 -1.26 -4.78 114.94 116.84 2k8a s ASN 103 Ca 0.52 2.11 0.19 0.00 0.42 0.00 0.00 52.86 56.09 2k8a s ASN 103 Cb -0.10 -2.60 1.03 0.00 -1.45 0.00 0.00 41.25 38.14 2k8a s ASN 103 CO 0.34 -0.35 1.54 -0.65 -3.72 0.00 0.00 177.10 174.27 2k8a h PRO 104 N 5.72 0.00 0.00 0.43 0.11 -1.97 0.80 132.00 137.09 2k8a h PRO 104 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 2k8a h PRO 104 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k8a h PRO 104 CO 0.76 0.00 -0.08 1.98 -0.21 0.00 0.00 178.00 180.45 2k8a h MET 105 N 0.00 0.00 0.00 1.05 4.05 -2.04 -2.55 114.93 115.44 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 0.24 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 2k8a h MET 105 CO 0.00 0.08 -0.44 0.74 0.23 0.00 0.00 176.91 177.52 2k8a h PHE 106 N 0.00 0.00 -0.93 1.39 0.04 -1.21 -3.33 116.94 112.89 2k8a h PHE 106 Ca -0.00 0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.94 2k8a h PHE 106 Cb 0.33 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.38 2k8a h PHE 106 CO 0.00 0.19 0.53 1.25 -0.60 0.00 0.00 178.31 179.68 2k8a h LEU 107 N 0.00 0.66 -0.43 1.54 5.85 -1.60 0.29 115.31 121.63 2k8a h LEU 107 Ca -0.02 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2k8a h LEU 107 Cb 1.16 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2k8a h LEU 107 CO 0.02 0.25 -0.09 -0.78 -0.34 0.00 0.00 178.44 177.50 2k8a h ASP 108 N 0.70 0.83 0.51 1.25 3.58 -1.75 -1.49 116.42 120.05 2k8a h ASP 108 Ca 0.52 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2k8a h ASP 108 Cb 0.78 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.61 2k8a h ASP 108 CO -0.37 0.99 -0.24 -0.61 -2.88 0.00 0.00 179.24 176.12 2k8a h GLN 109 N 0.65 -0.66 -0.75 0.28 4.15 -1.18 0.92 115.11 118.53 2k8a h GLN 109 Ca 0.11 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 2k8a h GLN 109 Cb 0.62 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 2k8a h GLN 109 CO 0.04 -0.41 0.34 -0.39 -1.93 0.00 0.00 178.83 176.48 2k8a h VAL 110 N -0.74 1.24 -0.41 2.39 -1.51 -1.32 -2.48 116.25 113.43 2k8a h VAL 110 Ca -0.07 -0.71 -0.08 0.00 -1.23 0.00 0.00 66.70 64.61 2k8a h VAL 110 Cb 0.55 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.02 2k8a h VAL 110 CO 0.11 0.29 -0.06 0.00 -1.23 0.00 0.00 177.57 176.68 2k8a h ALA 111 N 1.17 0.56 -0.09 5.19 0.00 -1.14 -1.09 119.26 123.86 2k8a h ALA 111 Ca 0.25 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2k8a h ALA 111 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k8a h ALA 111 CO -0.03 0.40 -0.24 0.87 0.00 0.00 0.00 179.25 180.25 2k8a h LYS 112 N 0.58 0.16 -0.19 0.00 1.79 -0.68 -0.03 116.57 118.20 2k8a h LYS 112 Ca 0.11 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2k8a h LYS 112 Cb 0.58 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 2k8a h LYS 112 CO 0.03 0.39 -0.08 0.35 -1.08 0.00 0.00 179.45 179.06 2k8a h PHE 113 N 0.14 0.45 -0.47 -1.35 3.04 -1.21 -2.47 116.94 115.08 2k8a h PHE 113 Ca 0.02 -0.11 0.09 0.00 3.98 0.00 0.00 57.97 61.96 2k8a h PHE 113 Cb 0.50 -0.10 -0.10 0.00 2.56 0.00 0.00 35.95 38.81 2k8a h PHE 113 CO 0.01 0.68 -0.30 0.82 -2.02 0.00 0.00 178.31 177.49 2k8a h ILE 114 N 0.09 0.24 -0.08 1.41 2.04 -0.47 -2.07 117.51 118.65 2k8a h ILE 114 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2k8a h ILE 114 Cb 0.56 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2k8a h ILE 114 CO 0.03 0.00 -0.11 0.40 0.00 0.00 0.00 178.15 178.47 2k8a h ILE 115 N -0.20 0.71 0.00 -0.67 2.04 -1.01 -2.67 117.51 115.71 2k8a h ILE 115 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2k8a h ILE 115 Cb 0.53 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2k8a h ILE 115 CO -0.58 0.00 -0.04 -0.78 0.00 0.00 0.00 178.15 176.75 2k8a h ASP 116 N -0.14 0.00 -0.35 1.72 3.58 -0.94 0.44 116.42 120.72 2k8a h ASP 116 Ca 0.07 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.54 2k8a h ASP 116 Cb 0.24 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2k8a h ASP 116 CO -0.17 0.04 0.23 -1.13 -2.88 0.00 0.00 179.24 175.33 2k8a h ASN 117 N 0.00 0.33 0.00 2.28 -1.24 -1.02 -2.63 115.58 113.30 2k8a h ASN 117 Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2k8a h ASN 117 Cb 0.34 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.31 2k8a h ASN 117 CO 0.00 0.23 -1.19 0.35 -1.29 0.00 0.00 177.43 175.54 2k8a n THR 118 N -4.49 0.00 0.00 -3.57 -2.24 -0.40 -4.56 114.28 99.02 2k8a n THR 118 Ca 0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 2k8a n THR 118 Cb 0.13 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.68 0.00 0.00 -0.78 4.81 0.14 -4.87 118.16 115.77 2k8a n LYS 119 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 2k8a n LYS 119 Cb 0.25 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 34.83 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 1.70 1.00 0.08 3.14 0.00 -1.01 -4.55 105.19 105.55 2k8a n GLY 120 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2k8a n GLY 120 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2k8a h GLN 121 N 0.00 0.00 0.48 1.61 4.15 -1.96 -3.34 115.11 116.05 2k8a h GLN 121 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2k8a h GLN 121 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2k8a h GLN 121 CO 0.00 0.50 -0.23 1.98 -1.93 0.00 0.00 178.83 179.15 2k8a h MET 122 N 0.00 -0.62 0.00 1.69 4.05 -1.96 -3.46 114.93 114.63 2k8a h MET 122 Ca -0.25 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2k8a h MET 122 Cb 1.94 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.88 2k8a h MET 122 CO 0.08 -0.39 0.00 -0.11 0.23 0.00 0.00 176.91 176.72 2k8a n LEU 123 N -5.35 -1.54 0.00 3.39 7.94 -1.26 -5.07 117.00 115.11 2k8a n LEU 123 Ca -0.12 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 2k8a n LEU 123 Cb 0.28 1.61 0.00 0.00 0.53 0.00 0.00 43.42 45.84 2k8a n LEU 123 CO 0.36 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 176.96 2k8a n GLY 124 N -0.29 -1.80 5.09 -3.96 0.00 -1.25 -4.99 105.19 97.99 2k8a n GLY 124 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 -3.28 0.99 4.32 -1.26 -4.45 117.00 113.31 2k8a n LEU 125 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.02 2k8a n LEU 125 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2k8a n LEU 125 CO 0.00 0.00 0.69 -0.83 -1.22 0.00 0.00 177.39 176.03 2k8a s GLY 126 N 0.00 -0.09 -0.25 -0.72 0.00 -1.26 -4.87 107.32 100.13 2k8a s GLY 126 Ca 0.00 3.16 -0.29 0.00 0.00 0.00 0.00 44.72 47.59 2k8a s GLY 126 CO 0.00 3.40 1.10 0.21 0.00 0.00 0.00 173.10 177.81 2k8a s ASN 127 N 2.45 7.01 0.00 1.64 3.04 -1.26 -5.20 114.94 122.61 2k8a s ASN 127 Ca -0.01 1.34 0.23 0.00 0.04 0.00 0.00 52.86 54.45 2k8a s ASN 127 Cb -0.05 -2.54 1.36 0.00 -1.54 0.00 0.00 41.25 38.47 2k8a s ASN 127 CO -0.16 -0.76 1.73 -2.65 -3.04 0.00 0.00 177.10 172.22