#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 4.65 0.06 0.00 2.47 -1.26 -4.99 114.94 115.86 2k8a s ASN 50 Ca 0.00 1.07 -0.24 0.00 0.42 0.00 0.00 52.86 54.11 2k8a s ASN 50 Cb 0.00 -1.75 -0.17 0.00 -1.45 0.00 0.00 41.25 37.89 2k8a s ASN 50 CO 0.00 -1.84 1.59 1.56 -3.72 0.00 0.00 177.10 174.69 2k8a h GLN 51 N -1.01 -0.08 0.00 0.43 4.20 -2.09 -3.46 115.11 113.10 2k8a h GLN 51 Ca -0.47 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2k8a h GLN 51 Cb 1.29 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2k8a h GLN 51 CO 0.63 0.08 0.00 1.04 -0.67 0.00 0.00 178.83 179.90 2k8a n GLN 52 N -5.06 1.52 -3.96 1.46 6.02 -1.26 -4.86 117.38 111.23 2k8a n GLN 52 Ca -0.08 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.63 2k8a n GLN 52 Cb 0.12 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.38 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 0.00 -2.56 0.07 5.09 -2.24 -1.26 -4.87 114.28 108.51 2k8a n THR 53 Ca 0.00 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.46 2k8a n THR 53 Cb 0.00 -2.67 0.08 0.00 -2.10 0.00 0.00 70.33 65.64 2k8a n THR 53 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2k8a h SER 54 N -1.83 0.33 0.00 3.42 0.02 -1.89 -3.47 113.55 110.13 2k8a h SER 54 Ca -0.60 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 2k8a h SER 54 Cb 1.37 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2k8a h SER 54 CO 0.66 0.90 0.00 0.61 -1.14 0.00 0.00 176.83 177.87 2k8a n GLY 55 N 0.42 2.92 3.89 -3.77 0.00 -1.26 -5.01 105.19 102.38 2k8a n GLY 55 Ca -0.03 0.00 -0.29 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 -0.12 3.71 -0.15 1.61 3.01 -1.26 -4.94 119.74 121.59 2k8a s LYS 56 Ca 0.00 0.23 -0.17 0.00 -1.01 0.00 0.00 55.97 55.02 2k8a s LYS 56 Cb 0.00 -2.53 -0.04 0.00 -1.01 0.00 0.00 37.83 34.25 2k8a s LYS 56 CO 0.00 0.11 0.43 0.08 0.51 0.00 0.00 175.35 176.48 2k8a s VAL 57 N -2.20 5.20 -0.22 3.17 1.01 0.17 -4.78 120.40 122.75 2k8a s VAL 57 Ca 0.47 0.84 -0.20 0.00 0.00 0.00 0.00 61.98 63.09 2k8a s VAL 57 Cb -0.11 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2k8a s VAL 57 CO 0.30 0.31 0.59 -0.22 0.00 0.00 0.00 175.10 176.07 2k8a s LEU 58 N 0.84 4.12 -0.15 3.92 2.96 -1.26 -0.32 118.68 128.79 2k8a s LEU 58 Ca 0.23 0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 54.87 2k8a s LEU 58 Cb -0.15 -2.81 0.03 0.00 0.50 0.00 0.00 46.19 43.76 2k8a s LEU 58 CO 0.09 -0.27 -0.09 -0.72 -1.32 0.00 0.00 176.35 174.04 2k8a s TYR 59 N 2.02 1.82 -1.16 5.38 1.13 0.25 -4.81 117.35 121.98 2k8a s TYR 59 Ca 0.26 -1.06 0.00 0.00 -1.41 0.00 0.00 57.07 54.86 2k8a s TYR 59 Cb -0.16 -1.39 0.00 0.00 -1.10 0.00 0.00 41.96 39.31 2k8a s TYR 59 CO 0.10 -0.61 0.00 0.39 -2.51 0.00 0.00 175.55 172.92 2k8a n GLU 60 N 4.85 -1.95 0.00 -3.49 1.02 -1.26 -0.50 120.64 119.31 2k8a n GLU 60 Ca -0.14 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2k8a n GLU 60 Cb 0.49 -5.16 0.00 0.00 -0.02 0.00 0.00 31.44 26.75 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 -0.66 0.31 3.65 0.62 0.00 -1.26 -5.07 105.19 102.78 2k8a n GLY 61 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 2.38 -0.09 1.61 2.20 0.34 -5.09 119.74 120.21 2k8a s LYS 62 Ca 0.00 -1.06 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 2k8a s LYS 62 Cb 0.00 -2.38 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 2k8a s LYS 62 CO 0.00 0.48 -0.08 -1.21 -0.36 0.00 0.00 175.35 174.18 2k8a s GLU 63 N -2.74 2.96 0.27 4.03 2.02 -1.26 0.85 118.70 124.83 2k8a s GLU 63 Ca 0.26 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.70 2k8a s GLU 63 Cb -0.10 -2.64 -0.05 0.00 0.10 0.00 0.00 34.13 31.44 2k8a s GLU 63 CO 0.18 0.54 0.07 -0.06 0.02 0.00 0.00 175.26 176.01 2k8a s PHE 64 N -0.47 1.62 0.04 1.61 0.08 0.56 -4.86 117.98 116.57 2k8a s PHE 64 Ca 0.07 -1.10 -0.23 0.00 0.12 0.00 0.00 56.93 55.79 2k8a s PHE 64 Cb -0.12 -0.97 -0.12 0.00 -0.57 0.00 0.00 43.02 41.24 2k8a s PHE 64 CO 0.02 -0.23 1.35 -0.44 -0.10 0.00 0.00 175.22 175.83 2k8a h ASP 65 N 2.35 -0.79 -2.40 1.36 3.32 -1.86 0.49 116.42 118.88 2k8a h ASP 65 Ca -0.39 0.05 -0.46 0.00 0.02 0.00 0.00 57.03 56.25 2k8a h ASP 65 Cb 1.24 0.24 -0.36 0.00 0.22 0.00 0.00 39.33 40.66 2k8a h ASP 65 CO 0.63 -0.47 -0.75 -0.31 -1.72 0.00 0.00 179.24 176.63 2k8a s TYR 66 N -4.81 0.12 -0.07 4.55 2.02 0.02 -4.13 117.35 115.05 2k8a s TYR 66 Ca -0.12 -0.92 -0.26 0.00 -0.37 0.00 0.00 57.07 55.40 2k8a s TYR 66 Cb 0.02 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.85 2k8a s TYR 66 CO 0.37 -0.88 0.81 0.14 -1.57 0.00 0.00 175.55 174.42 2k8a s VAL 67 N 1.72 4.96 0.20 0.71 -7.23 -1.25 -1.85 120.40 117.66 2k8a s VAL 67 Ca 0.13 1.66 -0.11 0.00 -1.81 0.00 0.00 61.98 61.86 2k8a s VAL 67 Cb -0.17 -4.14 -0.07 0.00 0.56 0.00 0.00 36.38 32.55 2k8a s VAL 67 CO -0.18 0.17 0.54 0.12 -0.31 0.00 0.00 175.10 175.44 2k8a s PHE 68 N 1.17 3.47 -0.25 2.82 5.36 0.76 -4.67 117.98 126.64 2k8a s PHE 68 Ca 0.42 0.90 -0.16 0.00 -0.96 0.00 0.00 56.93 57.12 2k8a s PHE 68 Cb -0.18 -2.27 -0.03 0.00 -0.34 0.00 0.00 43.02 40.19 2k8a s PHE 68 CO 0.20 0.32 0.44 0.45 -1.46 0.00 0.00 175.22 175.17 2k8a s SER 69 N -2.18 6.37 -0.25 6.13 0.15 -1.26 0.13 113.70 122.79 2k8a s SER 69 Ca 0.44 0.44 -0.17 0.00 0.70 0.00 0.00 55.95 57.36 2k8a s SER 69 Cb -0.12 -2.24 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2k8a s SER 69 CO 0.21 -0.20 0.49 -0.63 1.20 0.00 0.00 173.24 174.31 2k8a s ILE 70 N 1.97 5.10 -0.35 6.45 -1.09 0.31 -4.93 121.20 128.67 2k8a s ILE 70 Ca 0.19 0.84 -0.15 0.00 -2.23 0.00 0.00 60.65 59.30 2k8a s ILE 70 Cb -0.15 -3.81 -0.01 0.00 -1.58 0.00 0.00 42.46 36.91 2k8a s ILE 70 CO 0.09 0.12 0.35 -0.62 -1.23 0.00 0.00 174.94 173.66 2k8a s ASP 71 N 1.44 6.16 0.02 3.58 2.15 -1.26 -2.61 116.67 126.16 2k8a s ASP 71 Ca 0.21 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.91 2k8a s ASP 71 Cb -0.16 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2k8a s ASP 71 CO 0.09 -0.34 0.00 0.55 -0.17 0.00 0.00 175.17 175.31 2k8a n VAL 72 N 5.23 0.04 -3.96 1.11 3.14 -1.26 -5.01 118.33 117.61 2k8a n VAL 72 Ca -0.09 0.01 -0.34 0.00 -2.96 0.00 0.00 64.34 60.96 2k8a n VAL 72 Cb 0.49 -0.85 -0.14 0.00 -1.06 0.00 0.00 33.84 32.28 2k8a n VAL 72 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2k8a s ASN 73 N -5.03 4.75 -0.48 6.55 6.03 -1.26 -5.08 114.94 120.43 2k8a s ASN 73 Ca 0.00 -1.41 -0.26 0.00 -1.03 0.00 0.00 52.86 50.16 2k8a s ASN 73 Cb 0.00 -1.66 0.03 0.00 -3.03 0.00 0.00 41.25 36.59 2k8a s ASN 73 CO 0.00 -0.26 0.99 -0.70 -2.03 0.00 0.00 177.10 175.10 2k8a s GLU 74 N 1.17 3.56 0.00 3.55 2.56 -1.26 -2.84 118.70 125.44 2k8a s GLU 74 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 54.97 55.15 2k8a s GLU 74 Cb -0.20 -3.94 0.00 0.00 2.00 0.00 0.00 34.13 31.99 2k8a s GLU 74 CO -0.03 -1.30 0.00 0.41 -0.56 0.00 0.00 175.26 173.78 2k8a n GLY 75 N 4.94 1.87 0.00 -1.50 0.00 -1.26 -5.11 105.19 104.12 2k8a n GLY 75 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.52 2.49 3.73 -0.02 0.00 -1.13 -5.14 105.19 104.60 2k8a n GLY 76 Ca 0.00 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.07 4.35 0.14 1.61 0.04 -1.26 -4.97 135.00 133.85 2k8a s PRO 77 Ca 0.00 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 2k8a s PRO 77 Cb 0.00 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 2k8a s PRO 77 CO 0.00 -0.34 0.41 -1.12 0.04 0.00 0.00 177.00 175.98 2k8a s SER 78 N 0.68 6.54 0.18 6.66 0.01 -1.26 -4.69 113.70 121.82 2k8a s SER 78 Ca 0.60 0.68 0.04 0.00 1.31 0.00 0.00 55.95 58.58 2k8a s SER 78 Cb -0.37 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 2k8a s SER 78 CO 0.35 0.06 0.25 -0.31 0.41 0.00 0.00 173.24 173.99 2k8a s TYR 79 N -1.63 3.35 -0.07 2.43 2.02 -1.07 -4.89 117.35 117.49 2k8a s TYR 79 Ca 0.40 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.17 2k8a s TYR 79 Cb -0.12 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 2k8a s TYR 79 CO 0.23 0.50 -0.18 0.15 -1.57 0.00 0.00 175.55 174.68 2k8a s LYS 80 N -3.38 2.15 -0.74 -0.62 -0.14 -1.25 0.11 119.74 115.87 2k8a s LYS 80 Ca 0.33 -0.64 -0.08 0.00 -1.36 0.00 0.00 55.97 54.23 2k8a s LYS 80 Cb -0.10 -1.75 0.19 0.00 -1.68 0.00 0.00 37.83 34.49 2k8a s LYS 80 CO 0.27 0.16 0.62 -1.17 -0.76 0.00 0.00 175.35 174.47 2k8a s LEU 81 N 0.32 5.96 -0.25 3.17 0.20 0.35 -4.81 118.68 123.61 2k8a s LEU 81 Ca -0.12 -2.85 -0.28 0.00 0.69 0.00 0.00 54.13 51.58 2k8a s LEU 81 Cb -0.15 -2.02 -0.05 0.00 -0.43 0.00 0.00 46.19 43.54 2k8a s LEU 81 CO 0.05 -0.45 2.17 -2.84 -0.29 0.00 0.00 176.35 174.99 2k8a s PRO 82 N -0.06 3.09 -0.17 0.98 0.02 -1.26 -0.17 135.00 137.43 2k8a s PRO 82 Ca 0.18 1.90 -0.00 0.00 0.02 0.00 0.00 61.00 63.10 2k8a s PRO 82 Cb -0.15 -4.36 0.00 0.00 0.02 0.00 0.00 34.50 30.01 2k8a s PRO 82 CO -0.06 -2.15 -0.15 -0.47 -0.33 0.00 0.00 177.00 173.84 2k8a s TYR 83 N 8.37 2.80 -0.13 6.54 5.04 -0.77 -4.89 117.35 134.31 2k8a s TYR 83 Ca 0.98 -1.13 -0.07 0.00 -2.44 0.00 0.00 57.07 54.41 2k8a s TYR 83 Cb -0.31 -1.92 -0.04 0.00 0.35 0.00 0.00 41.96 40.04 2k8a s TYR 83 CO 0.34 -0.54 0.12 1.21 -1.34 0.00 0.00 175.55 175.34 2k8a s ASN 84 N 0.98 6.21 0.17 4.32 2.47 -1.26 -0.80 114.94 127.03 2k8a s ASN 84 Ca -0.02 0.39 0.24 0.00 0.42 0.00 0.00 52.86 53.88 2k8a s ASN 84 Cb -0.15 -2.00 0.91 0.00 -1.45 0.00 0.00 41.25 38.56 2k8a s ASN 84 CO -0.03 0.37 1.72 0.35 -3.72 0.00 0.00 177.10 175.79 2k8a n THR 85 N 2.27 0.67 1.16 -5.21 -2.24 -1.26 -1.94 114.28 107.73 2k8a n THR 85 Ca -0.19 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.75 2k8a n THR 85 Cb 0.54 -0.86 0.24 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.04 1.49 -4.79 3.42 7.64 -1.26 -4.93 113.62 113.14 2k8a n SER 86 Ca 0.04 -1.19 -0.27 0.00 1.01 0.00 0.00 58.87 58.46 2k8a n SER 86 Cb 0.30 0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.45 5.52 0.41 6.43 1.01 -0.82 -5.10 116.67 121.68 2k8a s ASP 87 Ca 0.23 -0.11 -0.23 0.00 0.71 0.00 0.00 52.55 53.16 2k8a s ASP 87 Cb 0.19 -1.45 -0.10 0.00 1.01 0.00 0.00 42.92 42.57 2k8a s ASP 87 CO 0.52 0.09 0.99 -1.81 0.21 0.00 0.00 175.17 175.17 2k8a s ASP 88 N -2.98 6.86 0.07 0.27 1.01 -1.26 -4.87 116.67 115.77 2k8a s ASP 88 Ca 0.31 1.84 -0.26 0.00 0.71 0.00 0.00 52.55 55.15 2k8a s ASP 88 Cb -0.10 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.15 2k8a s ASP 88 CO 0.23 -0.41 1.41 1.55 0.21 0.00 0.00 175.17 178.16 2k8a h PRO 89 N 2.22 -0.63 0.00 8.23 0.13 -1.94 0.14 132.00 140.16 2k8a h PRO 89 Ca -0.48 0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2k8a h PRO 89 Cb 1.20 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2k8a h PRO 89 CO 0.62 -0.42 -0.05 0.11 -0.23 0.00 0.00 178.00 178.02 2k8a h TRP 90 N -0.66 0.00 0.04 1.56 0.09 -1.88 0.21 115.95 115.31 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 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.85 2k8a h TRP 90 CO -0.30 0.05 -0.02 -0.07 0.09 0.00 0.00 178.44 178.19 2k8a h LEU 91 N 0.00 -0.05 -0.74 0.11 3.38 -1.87 -1.96 115.31 114.18 2k8a h LEU 91 Ca -0.00 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.52 2k8a h LEU 91 Cb 0.13 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2k8a h LEU 91 CO 0.01 0.68 0.43 0.74 0.09 0.00 0.00 178.44 180.38 2k8a h THR 92 N -0.96 0.97 -0.37 0.22 2.02 -0.25 0.20 112.91 114.74 2k8a h THR 92 Ca -0.01 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.75 2k8a h THR 92 Cb 0.56 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2k8a h THR 92 CO 0.01 0.14 -0.41 0.00 0.37 0.00 0.00 175.52 175.63 2k8a h ALA 93 N 1.38 0.56 -0.66 6.16 0.00 -0.73 -2.36 119.26 123.61 2k8a h ALA 93 Ca 0.33 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2k8a h ALA 93 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k8a h ALA 93 CO -0.19 0.68 0.25 -0.92 0.00 0.00 0.00 179.25 179.06 2k8a h TYR 94 N 0.75 1.03 -0.11 0.00 5.03 -0.75 0.16 116.97 123.08 2k8a h TYR 94 Ca 0.05 -0.09 0.04 0.00 2.58 0.00 0.00 58.73 61.32 2k8a h TYR 94 Cb 1.01 -0.30 -0.05 0.00 1.55 0.00 0.00 36.73 38.94 2k8a h TYR 94 CO 0.06 0.81 -0.16 -0.91 -1.32 0.00 0.00 178.16 176.64 2k8a h ASN 95 N 0.94 -0.50 -0.65 -2.11 2.35 -0.39 0.21 115.58 115.43 2k8a h ASN 95 Ca 0.22 0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.98 2k8a h ASN 95 Cb 0.24 0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 2k8a h ASN 95 CO -0.01 -0.21 0.11 0.15 -1.65 0.00 0.00 177.43 175.81 2k8a h PHE 96 N -0.22 1.14 -0.64 1.19 3.57 -1.22 0.15 116.94 120.91 2k8a h PHE 96 Ca 0.09 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.44 2k8a h PHE 96 Cb 0.34 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2k8a h PHE 96 CO -0.27 0.96 0.42 1.25 -2.23 0.00 0.00 178.31 178.44 2k8a h LEU 97 N 0.99 0.73 -0.10 0.59 5.85 -0.01 0.51 115.31 123.87 2k8a h LEU 97 Ca 0.20 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 2k8a h LEU 97 Cb 0.44 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2k8a h LEU 97 CO 0.01 0.53 -0.58 0.06 -0.34 0.00 0.00 178.44 178.12 2k8a h GLN 98 N 0.86 0.00 -0.54 1.25 3.07 -0.52 0.76 115.11 119.99 2k8a h GLN 98 Ca 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.93 2k8a h GLN 98 Cb -0.09 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.44 2k8a h GLN 98 CO -0.05 0.58 0.19 -0.22 0.09 0.00 0.00 178.83 179.42 2k8a h LYS 99 N 0.00 0.83 -0.01 0.06 3.11 0.13 -3.07 116.57 117.63 2k8a h LYS 99 Ca -0.01 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 2k8a h LYS 99 Cb 1.41 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.51 2k8a h LYS 99 CO 0.08 0.75 -0.71 -1.71 -2.81 0.00 0.00 179.45 175.05 2k8a n ASN 100 N -4.48 1.47 -2.82 4.20 4.05 0.09 -5.00 115.26 112.78 2k8a n ASN 100 Ca 0.02 -1.23 -0.09 0.00 0.45 0.00 0.00 54.58 53.73 2k8a n ASN 100 Cb 0.19 0.74 0.04 0.00 1.23 0.00 0.00 39.78 41.98 2k8a n ASN 100 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2k8a n ASP 101 N -0.76 -5.74 -5.00 1.20 2.03 0.19 -5.05 116.55 103.42 2k8a n ASP 101 Ca 0.06 -0.46 -0.18 0.00 0.52 0.00 0.00 54.79 54.74 2k8a n ASP 101 Cb 0.38 -4.16 0.01 0.00 -0.72 0.00 0.00 41.12 36.63 2k8a n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k8a s LEU 102 N -4.60 3.69 0.13 -2.67 2.01 0.24 -5.00 118.68 112.49 2k8a s LEU 102 Ca 0.29 -0.28 -0.30 0.00 0.01 0.00 0.00 54.13 53.84 2k8a s LEU 102 Cb -0.04 -2.73 -0.07 0.00 0.01 0.00 0.00 46.19 43.37 2k8a s LEU 102 CO 0.57 -0.72 1.06 0.21 1.01 0.00 0.00 176.35 178.48 2k8a s ASN 103 N -4.31 7.33 0.36 2.29 2.47 -1.26 -4.78 114.94 117.04 2k8a s ASN 103 Ca 0.53 1.96 0.20 0.00 0.42 0.00 0.00 52.86 55.96 2k8a s ASN 103 Cb -0.10 -2.59 1.07 0.00 -1.45 0.00 0.00 41.25 38.17 2k8a s ASN 103 CO 0.33 -0.20 1.55 -0.65 -3.72 0.00 0.00 177.10 174.42 2k8a h PRO 104 N 5.53 0.00 -0.13 0.43 0.11 -1.98 0.79 132.00 136.75 2k8a h PRO 104 Ca -0.43 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 2k8a h PRO 104 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2k8a h PRO 104 CO 0.73 0.00 0.12 1.98 -0.21 0.00 0.00 178.00 180.62 2k8a h MET 105 N 0.00 0.00 0.00 1.05 4.05 -2.04 -1.83 114.93 116.16 2k8a h MET 105 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2k8a h MET 105 Cb 0.32 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2k8a h MET 105 CO 0.00 0.00 -0.16 0.74 0.23 0.00 0.00 176.91 177.72 2k8a h PHE 106 N 0.00 0.00 -0.63 1.39 0.04 -1.22 -3.36 116.94 113.16 2k8a h PHE 106 Ca 0.06 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.93 2k8a h PHE 106 Cb 0.30 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.37 2k8a h PHE 106 CO 0.00 0.08 0.24 1.25 -0.60 0.00 0.00 178.31 179.28 2k8a h LEU 107 N 0.00 0.24 -0.52 1.54 5.85 -1.49 -1.10 115.31 119.83 2k8a h LEU 107 Ca -0.00 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2k8a h LEU 107 Cb 1.06 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2k8a h LEU 107 CO 0.01 0.14 0.13 -0.78 -0.34 0.00 0.00 178.44 177.60 2k8a h ASP 108 N 0.42 0.79 0.16 1.25 3.58 -1.76 -0.54 116.42 120.33 2k8a h ASP 108 Ca 0.32 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2k8a h ASP 108 Cb 0.40 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2k8a h ASP 108 CO -0.32 0.81 -0.08 -0.61 -2.88 0.00 0.00 179.24 176.17 2k8a h GLN 109 N 0.72 -0.21 -0.61 0.28 4.15 -1.46 0.24 115.11 118.22 2k8a h GLN 109 Ca 0.16 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 2k8a h GLN 109 Cb 0.33 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2k8a h GLN 109 CO 0.00 -0.06 0.21 -0.39 -1.93 0.00 0.00 178.83 176.66 2k8a h VAL 110 N -0.32 1.24 -0.66 2.39 -1.51 -1.33 -2.11 116.25 113.96 2k8a h VAL 110 Ca -0.02 -0.80 -0.06 0.00 -1.23 0.00 0.00 66.70 64.59 2k8a h VAL 110 Cb 0.25 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 29.99 2k8a h VAL 110 CO 0.04 0.31 0.17 0.00 -1.23 0.00 0.00 177.57 176.85 2k8a h ALA 111 N 1.07 1.06 0.00 5.19 0.00 -0.90 -1.33 119.26 124.35 2k8a h ALA 111 Ca 0.20 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2k8a h ALA 111 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k8a h ALA 111 CO -0.01 0.62 -0.45 0.87 0.00 0.00 0.00 179.25 180.28 2k8a h LYS 112 N 0.98 0.00 -0.25 0.00 1.79 -0.26 0.31 116.57 119.15 2k8a h LYS 112 Ca 0.21 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.53 2k8a h LYS 112 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2k8a h LYS 112 CO -0.00 0.45 -0.45 0.35 -1.08 0.00 0.00 179.45 178.72 2k8a h PHE 113 N 0.00 0.93 -0.25 -1.35 3.04 -0.99 0.49 116.94 118.80 2k8a h PHE 113 Ca -0.00 -0.33 0.06 0.00 3.98 0.00 0.00 57.97 61.68 2k8a h PHE 113 Cb 0.85 -0.17 -0.06 0.00 2.56 0.00 0.00 35.95 39.12 2k8a h PHE 113 CO 0.00 1.12 -0.14 0.82 -2.02 0.00 0.00 178.31 178.09 2k8a h ILE 114 N 0.47 0.58 -0.88 1.41 2.04 -0.84 -0.99 117.51 119.30 2k8a h ILE 114 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2k8a h ILE 114 Cb 1.05 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2k8a h ILE 114 CO 0.10 0.00 0.56 0.40 0.00 0.00 0.00 178.15 179.21 2k8a h ILE 115 N -0.11 1.23 -0.48 -0.67 2.04 -0.26 -1.54 117.51 117.72 2k8a h ILE 115 Ca 0.14 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2k8a h ILE 115 Cb 0.32 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 2k8a h ILE 115 CO -0.32 0.23 0.08 -0.78 0.00 0.00 0.00 178.15 177.36 2k8a h ASP 116 N 1.20 0.69 0.19 1.72 3.58 0.60 0.40 116.42 124.80 2k8a h ASP 116 Ca 0.32 -0.13 -0.25 0.00 0.42 0.00 0.00 57.03 57.39 2k8a h ASP 116 Cb -0.10 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 40.78 2k8a h ASP 116 CO -0.07 0.71 -1.02 -1.13 -2.88 0.00 0.00 179.24 174.86 2k8a h ASN 117 N 0.71 0.72 0.50 2.28 -1.24 -0.90 0.22 115.58 117.86 2k8a h ASN 117 Ca 0.15 -0.58 -0.13 0.00 0.71 0.00 0.00 56.30 56.45 2k8a h ASN 117 Cb 0.32 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2k8a h ASN 117 CO 0.00 1.39 -0.60 0.71 -1.29 0.00 0.00 177.43 177.64 2k8a h THR 118 N 0.30 1.41 0.00 -3.57 1.35 -0.97 -3.30 112.91 108.13 2k8a h THR 118 Ca -0.11 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 2k8a h THR 118 Cb 1.66 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 2k8a h THR 118 CO 0.19 0.58 0.00 1.17 -0.25 0.00 0.00 175.52 177.21 2k8a n LYS 119 N -3.85 0.00 -3.21 4.72 4.81 0.14 -4.95 118.16 115.82 2k8a n LYS 119 Ca -0.02 0.20 0.04 0.00 -0.87 0.00 0.00 58.31 57.66 2k8a n LYS 119 Cb 0.60 -1.04 -0.03 0.00 0.02 0.00 0.00 35.03 34.58 2k8a n LYS 119 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2k8a s GLY 120 N -0.70 -0.06 -0.87 3.14 0.00 0.74 -3.91 107.32 105.66 2k8a s GLY 120 Ca 0.00 3.19 -0.23 0.00 0.00 0.00 0.00 44.72 47.68 2k8a s GLY 120 CO 0.00 3.59 2.45 -0.18 0.00 0.00 0.00 173.10 178.96 2k8a n GLN 121 N 5.08 0.27 0.00 2.90 7.27 -1.12 -3.24 117.38 128.54 2k8a n GLN 121 Ca -0.08 -0.13 0.00 0.00 0.07 0.00 0.00 57.00 56.87 2k8a n GLN 121 Cb 0.54 -2.04 0.00 0.00 2.41 0.00 0.00 30.24 31.16 2k8a n GLN 121 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 2k8a n MET 122 N 7.77 0.00 -0.07 3.69 0.00 -1.26 -3.82 117.12 123.42 2k8a n MET 122 Ca 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 58.22 2k8a n MET 122 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.41 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 1.70 0.00 -0.89 7.94 -1.20 -5.11 117.00 119.44 2k8a n LEU 123 Ca 0.00 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 2k8a n LEU 123 Cb 0.00 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.19 2k8a n LEU 123 CO 0.00 -0.36 0.00 0.61 -1.11 0.00 0.00 177.39 176.53 2k8a n GLY 124 N 1.52 2.32 0.00 -3.96 0.00 -1.21 -4.80 105.19 99.06 2k8a n GLY 124 Ca -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.70 0.00 0.99 4.77 -1.25 -4.35 117.00 118.86 2k8a n LEU 125 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 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 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2k8a n GLY 126 N 2.38 -0.40 3.37 -0.72 0.00 -1.26 -5.02 105.19 103.54 2k8a n GLY 126 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 46.02 46.48 2k8a n GLY 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k8a s ASN 127 N 1.93 -0.36 0.00 1.61 2.47 -1.26 -5.17 114.94 114.17 2k8a s ASN 127 Ca 0.00 0.50 0.20 0.00 0.42 0.00 0.00 52.86 53.98 2k8a s ASN 127 Cb 0.00 1.37 1.19 0.00 -1.45 0.00 0.00 41.25 42.35 2k8a s ASN 127 CO 0.00 -0.07 1.57 -2.65 -3.72 0.00 0.00 177.10 172.23