#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8a n ASN 50 N 0.00 1.47 -4.81 0.00 6.94 -1.26 -4.84 115.26 112.76 2k8a n ASN 50 Ca 0.00 -1.17 -0.39 0.00 -0.02 0.00 0.00 54.58 53.01 2k8a n ASN 50 Cb 0.00 0.31 -0.06 0.00 -2.36 0.00 0.00 39.78 37.67 2k8a n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k8a s GLN 51 N -2.51 4.16 0.16 -3.83 -2.07 -1.26 -4.99 119.66 109.32 2k8a s GLN 51 Ca 0.21 0.69 0.13 0.00 -1.82 0.00 0.00 55.36 54.57 2k8a s GLN 51 Cb 0.19 -3.23 -0.08 0.00 -1.09 0.00 0.00 33.01 28.79 2k8a s GLN 51 CO 0.56 0.65 1.21 1.96 -1.32 0.00 0.00 175.29 178.34 2k8a h GLN 52 N 4.56 0.00 0.00 9.60 1.08 -2.02 -3.34 115.11 124.98 2k8a h GLN 52 Ca -0.50 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.50 2k8a h GLN 52 Cb 1.21 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.61 2k8a h GLN 52 CO 0.63 0.59 -1.15 1.79 -0.95 0.00 0.00 178.83 179.74 2k8a h THR 53 N 0.00 0.84 -5.08 -0.54 1.35 -1.94 -3.47 112.91 104.07 2k8a h THR 53 Ca -0.06 -2.06 -0.22 0.00 -0.55 0.00 0.00 66.41 63.52 2k8a h THR 53 Cb 1.58 2.02 0.17 0.00 -1.73 0.00 0.00 68.15 70.19 2k8a h THR 53 CO 0.08 0.28 -0.72 -1.20 -0.25 0.00 0.00 175.52 173.71 2k8a n SER 54 N -4.46 -5.56 0.00 5.36 7.64 -1.26 -4.13 113.62 111.22 2k8a n SER 54 Ca -0.29 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2k8a n SER 54 Cb 0.63 -4.49 0.00 0.00 -1.01 0.00 0.00 64.21 59.34 2k8a n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k8a n GLY 55 N -1.26 2.20 3.76 0.23 0.00 -1.26 -4.80 105.19 104.06 2k8a n GLY 55 Ca -0.08 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.28 -0.25 1.61 -0.14 -1.26 -4.72 119.74 119.26 2k8a s LYS 56 Ca 0.00 0.62 -0.17 0.00 -1.36 0.00 0.00 55.97 55.06 2k8a s LYS 56 Cb 0.00 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 2k8a s LYS 56 CO 0.00 0.34 0.48 0.08 -0.76 0.00 0.00 175.35 175.49 2k8a s VAL 57 N -0.04 5.10 -0.45 3.17 1.01 0.23 -4.79 120.40 124.63 2k8a s VAL 57 Ca 0.29 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 62.81 2k8a s VAL 57 Cb -0.17 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2k8a s VAL 57 CO 0.15 0.12 1.02 -0.22 0.00 0.00 0.00 175.10 176.17 2k8a s LEU 58 N 2.14 3.85 -0.19 3.92 2.96 -1.26 -0.08 118.68 130.02 2k8a s LEU 58 Ca 0.20 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 2k8a s LEU 58 Cb -0.16 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 43.18 2k8a s LEU 58 CO 0.09 -1.10 -0.14 -0.72 -1.32 0.00 0.00 176.35 173.16 2k8a s TYR 59 N 4.00 2.83 -1.56 5.38 1.13 0.32 -4.71 117.35 124.74 2k8a s TYR 59 Ca 0.42 -1.33 0.00 0.00 -1.41 0.00 0.00 57.07 54.76 2k8a s TYR 59 Cb -0.09 -1.97 0.00 0.00 -1.10 0.00 0.00 41.96 38.80 2k8a s TYR 59 CO 0.27 -0.67 0.00 0.39 -2.51 0.00 0.00 175.55 173.03 2k8a n GLU 60 N 4.58 -1.41 0.00 -3.49 -0.58 -1.26 -0.13 120.64 118.35 2k8a n GLU 60 Ca -0.20 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 2k8a n GLU 60 Cb 0.51 -5.18 0.00 0.00 -0.57 0.00 0.00 31.44 26.20 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 -0.20 0.79 3.61 0.62 0.00 -1.26 -5.09 105.19 103.65 2k8a n GLY 61 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.53 2.23 -0.11 1.61 2.20 0.82 -5.08 119.74 120.88 2k8a s LYS 62 Ca 0.00 -1.00 -0.04 0.00 -0.36 0.00 0.00 55.97 54.58 2k8a s LYS 62 Cb 0.00 -2.36 -0.04 0.00 -1.51 0.00 0.00 37.83 33.93 2k8a s LYS 62 CO 0.00 0.51 0.04 -1.21 -0.36 0.00 0.00 175.35 174.33 2k8a s GLU 63 N -2.30 3.24 0.23 4.03 2.02 -1.26 0.12 118.70 124.78 2k8a s GLU 63 Ca 0.23 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.89 2k8a s GLU 63 Cb -0.11 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2k8a s GLU 63 CO 0.15 0.65 0.15 -0.06 0.02 0.00 0.00 175.26 176.17 2k8a s PHE 64 N -0.72 1.30 0.00 1.61 0.08 0.88 -4.92 117.98 116.21 2k8a s PHE 64 Ca 0.12 -1.39 0.00 0.00 0.12 0.00 0.00 56.93 55.77 2k8a s PHE 64 Cb -0.12 -0.63 0.00 0.00 -0.57 0.00 0.00 43.02 41.70 2k8a s PHE 64 CO 0.02 -0.63 0.89 -0.25 -0.10 0.00 0.00 175.22 175.16 2k8a n ASP 65 N -0.48 0.00 -3.61 1.36 9.92 -1.24 0.76 116.55 123.27 2k8a n ASP 65 Ca 0.02 0.89 -0.27 0.00 -0.53 0.00 0.00 54.79 54.91 2k8a n ASP 65 Cb 0.66 -0.39 -0.16 0.00 -0.64 0.00 0.00 41.12 40.58 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 -2.57 0.30 -0.11 1.24 1.51 -0.31 -3.46 117.35 113.96 2k8a s TYR 66 Ca 0.00 -0.50 -0.10 0.00 -1.01 0.00 0.00 57.07 55.45 2k8a s TYR 66 Cb 0.00 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 41.03 2k8a s TYR 66 CO 0.00 -0.60 0.23 0.14 -1.11 0.00 0.00 175.55 174.21 2k8a s VAL 67 N 2.10 5.35 0.09 0.71 -7.23 -1.25 -0.32 120.40 119.85 2k8a s VAL 67 Ca 0.03 0.41 -0.16 0.00 -1.81 0.00 0.00 61.98 60.45 2k8a s VAL 67 Cb -0.16 -3.52 -0.07 0.00 0.56 0.00 0.00 36.38 33.19 2k8a s VAL 67 CO -0.16 0.54 0.54 0.12 -0.31 0.00 0.00 175.10 175.83 2k8a s PHE 68 N -0.55 3.71 -0.32 2.82 5.36 0.77 -4.71 117.98 125.06 2k8a s PHE 68 Ca 0.16 1.14 -0.12 0.00 -0.96 0.00 0.00 56.93 57.15 2k8a s PHE 68 Cb -0.13 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.12 2k8a s PHE 68 CO 0.05 0.53 0.21 0.45 -1.46 0.00 0.00 175.22 175.00 2k8a s SER 69 N -1.37 5.94 -0.26 6.13 0.15 -1.26 0.66 113.70 123.69 2k8a s SER 69 Ca 0.32 -0.35 -0.08 0.00 0.70 0.00 0.00 55.95 56.54 2k8a s SER 69 Cb -0.17 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2k8a s SER 69 CO 0.18 -0.18 0.09 -0.63 1.20 0.00 0.00 173.24 173.90 2k8a s ILE 70 N 1.71 4.44 0.02 6.45 1.01 0.33 -4.99 121.20 130.17 2k8a s ILE 70 Ca 0.06 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.59 2k8a s ILE 70 Cb -0.17 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 2k8a s ILE 70 CO 0.10 0.31 -0.05 -0.62 0.00 0.00 0.00 174.94 174.68 2k8a s ASP 71 N 1.63 4.74 0.04 3.58 2.15 -1.26 -2.58 116.67 124.97 2k8a s ASP 71 Ca 0.06 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.91 2k8a s ASP 71 Cb -0.15 -1.13 0.00 0.00 -0.30 0.00 0.00 42.92 41.34 2k8a s ASP 71 CO 0.05 0.27 0.00 0.55 -0.17 0.00 0.00 175.17 175.86 2k8a n VAL 72 N 1.39 0.00 -4.81 1.11 3.14 -1.26 -5.10 118.33 112.80 2k8a n VAL 72 Ca -0.15 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 60.91 2k8a n VAL 72 Cb 0.52 -0.30 -0.13 0.00 -1.06 0.00 0.00 33.84 32.88 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 -3.78 4.01 -0.47 6.55 2.47 -1.26 -5.06 114.94 117.40 2k8a s ASN 73 Ca 0.00 -0.25 -0.28 0.00 0.42 0.00 0.00 52.86 52.75 2k8a s ASN 73 Cb 0.00 -0.81 -0.01 0.00 -1.45 0.00 0.00 41.25 38.98 2k8a s ASN 73 CO 0.00 0.32 1.70 -1.61 -3.72 0.00 0.00 177.10 173.79 2k8a s GLU 74 N -0.96 3.15 0.00 0.43 8.01 -1.26 -4.70 118.70 123.37 2k8a s GLU 74 Ca 0.13 0.95 0.00 0.00 0.01 0.00 0.00 54.97 56.06 2k8a s GLU 74 Cb -0.11 -4.22 0.00 0.00 -4.31 0.00 0.00 34.13 25.50 2k8a s GLU 74 CO 0.02 -2.09 0.00 0.41 0.01 0.00 0.00 175.26 173.61 2k8a n GLY 75 N 5.43 1.06 4.50 -1.39 0.00 -1.26 -5.12 105.19 108.41 2k8a n GLY 75 Ca 0.19 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 1.14 -1.85 3.73 -0.02 0.00 -1.26 -4.90 105.19 102.03 2k8a n GLY 76 Ca 0.00 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 0.00 4.43 0.02 1.61 0.04 -1.26 -5.02 135.00 134.81 2k8a s PRO 77 Ca 0.00 1.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.76 2k8a s PRO 77 Cb 0.00 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 2k8a s PRO 77 CO 0.00 -0.21 0.62 0.45 0.04 0.00 0.00 177.00 177.90 2k8a s SER 78 N 0.50 7.03 -0.25 6.66 0.15 -1.26 -4.99 113.70 121.54 2k8a s SER 78 Ca 0.57 1.23 -0.11 0.00 0.70 0.00 0.00 55.95 58.34 2k8a s SER 78 Cb -0.34 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 61.54 2k8a s SER 78 CO 0.35 0.11 0.20 -0.31 1.20 0.00 0.00 173.24 174.79 2k8a s TYR 79 N -0.31 3.28 -0.09 3.44 2.02 -1.07 -4.96 117.35 119.67 2k8a s TYR 79 Ca 0.32 0.22 0.03 0.00 -0.37 0.00 0.00 57.07 57.28 2k8a s TYR 79 Cb -0.19 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.02 2k8a s TYR 79 CO 0.19 -0.04 -0.19 0.15 -1.57 0.00 0.00 175.55 174.09 2k8a s LYS 80 N 1.38 2.95 -0.67 -0.62 -0.14 -1.25 0.12 119.74 121.52 2k8a s LYS 80 Ca 0.09 -0.80 -0.04 0.00 -1.36 0.00 0.00 55.97 53.86 2k8a s LYS 80 Cb -0.15 -2.38 0.17 0.00 -1.68 0.00 0.00 37.83 33.79 2k8a s LYS 80 CO 0.07 0.31 0.51 -1.17 -0.76 0.00 0.00 175.35 174.31 2k8a s LEU 81 N 0.06 5.42 -0.14 3.17 0.20 0.21 -4.82 118.68 122.78 2k8a s LEU 81 Ca -0.08 -2.93 -0.29 0.00 0.69 0.00 0.00 54.13 51.52 2k8a s LEU 81 Cb -0.15 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.67 2k8a s LEU 81 CO 0.05 -0.37 1.77 -2.84 -0.29 0.00 0.00 176.35 174.67 2k8a s PRO 82 N -0.18 3.86 -0.12 0.98 0.02 -1.26 -0.16 135.00 138.14 2k8a s PRO 82 Ca 0.18 2.00 0.03 0.00 0.02 0.00 0.00 61.00 63.23 2k8a s PRO 82 Cb -0.18 -4.09 0.01 0.00 0.02 0.00 0.00 34.50 30.25 2k8a s PRO 82 CO -0.05 -1.24 -0.23 -0.47 -0.33 0.00 0.00 177.00 174.69 2k8a s TYR 83 N 5.22 2.59 -0.06 6.54 5.04 0.56 -4.90 117.35 132.33 2k8a s TYR 83 Ca 0.79 -1.19 -0.13 0.00 -2.44 0.00 0.00 57.07 54.10 2k8a s TYR 83 Cb -0.31 -1.75 -0.05 0.00 0.35 0.00 0.00 41.96 40.20 2k8a s TYR 83 CO 0.32 -0.51 0.34 -0.80 -1.34 0.00 0.00 175.55 173.55 2k8a s ASN 84 N 0.58 6.65 0.00 4.32 0.01 -1.26 -1.16 114.94 124.08 2k8a s ASN 84 Ca -0.13 0.77 0.06 0.00 -0.71 0.00 0.00 52.86 52.85 2k8a s ASN 84 Cb -0.17 -2.20 0.32 0.00 0.41 0.00 0.00 41.25 39.61 2k8a s ASN 84 CO 0.03 0.28 1.09 0.35 -1.51 0.00 0.00 177.10 177.35 2k8a n THR 85 N 2.29 1.06 0.53 1.60 -2.24 -1.26 -0.07 114.28 116.19 2k8a n THR 85 Ca -0.14 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 2k8a n THR 85 Cb 0.53 -1.16 0.17 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.34 3.28 -4.92 3.42 3.41 -1.26 -4.99 113.62 111.23 2k8a n SER 86 Ca 0.03 -1.98 -0.28 0.00 -0.26 0.00 0.00 58.87 56.38 2k8a n SER 86 Cb 0.06 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 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 -1.64 6.41 0.08 4.04 1.01 0.89 -5.09 116.67 122.37 2k8a s ASP 87 Ca 0.34 0.53 -0.21 0.00 0.71 0.00 0.00 52.55 53.93 2k8a s ASP 87 Cb 0.21 -2.07 -0.07 0.00 1.01 0.00 0.00 42.92 42.01 2k8a s ASP 87 CO 0.31 -0.12 0.61 -1.81 0.21 0.00 0.00 175.17 174.37 2k8a s ASP 88 N -3.20 7.11 0.07 0.27 1.11 -1.26 -4.95 116.67 115.83 2k8a s ASP 88 Ca 0.41 1.32 -0.28 0.00 0.18 0.00 0.00 52.55 54.18 2k8a s ASP 88 Cb -0.11 -2.39 -0.12 0.00 1.07 0.00 0.00 42.92 41.37 2k8a s ASP 88 CO 0.30 0.23 1.43 1.55 1.18 0.00 0.00 175.17 179.86 2k8a h PRO 89 N 4.68 -0.67 0.00 8.23 0.13 -1.95 -0.51 132.00 141.91 2k8a h PRO 89 Ca -0.48 0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 2k8a h PRO 89 Cb 1.21 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 2k8a h PRO 89 CO 0.65 -0.44 -0.12 -1.49 -0.23 0.00 0.00 178.00 176.37 2k8a h TRP 90 N -0.69 0.00 0.05 1.56 6.55 -1.88 0.19 115.95 121.72 2k8a h TRP 90 Ca -0.03 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.81 2k8a h TRP 90 Cb 0.64 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.94 2k8a h TRP 90 CO -0.32 0.12 -0.02 -0.07 -1.05 0.00 0.00 178.44 177.10 2k8a h LEU 91 N 0.00 -0.05 -0.65 -4.49 3.38 -1.86 -0.91 115.31 110.72 2k8a h LEU 91 Ca -0.00 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.37 2k8a h LEU 91 Cb 0.32 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2k8a h LEU 91 CO 0.02 0.62 0.43 0.74 0.09 0.00 0.00 178.44 180.34 2k8a h THR 92 N -0.78 1.17 -0.58 0.22 2.02 -0.59 0.99 112.91 115.36 2k8a h THR 92 Ca -0.01 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.77 2k8a h THR 92 Cb 0.65 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2k8a h THR 92 CO 0.01 0.16 -0.04 0.00 0.37 0.00 0.00 175.52 176.03 2k8a h ALA 93 N 1.24 0.84 -0.64 6.16 0.00 -0.73 -1.88 119.26 124.25 2k8a h ALA 93 Ca 0.24 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2k8a h ALA 93 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2k8a h ALA 93 CO -0.05 0.67 0.07 -0.92 0.00 0.00 0.00 179.25 179.01 2k8a h TYR 94 N 0.94 1.15 -0.02 0.00 5.03 -0.71 0.12 116.97 123.48 2k8a h TYR 94 Ca 0.16 -0.17 0.02 0.00 2.58 0.00 0.00 58.73 61.32 2k8a h TYR 94 Cb 0.59 -0.31 -0.03 0.00 1.55 0.00 0.00 36.73 38.53 2k8a h TYR 94 CO 0.04 0.98 -0.11 -0.91 -1.32 0.00 0.00 178.16 176.84 2k8a h ASN 95 N 1.00 -0.31 -0.62 -2.11 2.35 -0.43 0.23 115.58 115.69 2k8a h ASN 95 Ca 0.19 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 2k8a h ASN 95 Cb 0.48 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 2k8a h ASN 95 CO 0.02 -0.15 0.09 0.15 -1.65 0.00 0.00 177.43 175.89 2k8a h PHE 96 N -0.17 1.12 -0.62 1.19 3.57 -1.15 0.50 116.94 121.36 2k8a h PHE 96 Ca 0.05 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 2k8a h PHE 96 Cb 0.24 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2k8a h PHE 96 CO -0.18 0.94 0.34 1.25 -2.23 0.00 0.00 178.31 178.43 2k8a h LEU 97 N 0.98 0.77 0.02 0.59 5.85 -0.29 0.65 115.31 123.88 2k8a h LEU 97 Ca 0.19 -0.06 -0.23 0.00 0.84 0.00 0.00 57.88 58.62 2k8a h LEU 97 Cb 0.44 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2k8a h LEU 97 CO 0.01 0.62 -1.08 1.56 -0.34 0.00 0.00 178.44 179.22 2k8a h GLN 98 N 0.87 0.11 -0.41 1.25 1.08 -0.15 0.50 115.11 118.36 2k8a h GLN 98 Ca 0.22 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2k8a h GLN 98 Cb 0.03 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 2k8a h GLN 98 CO -0.04 1.07 0.18 -0.22 -0.95 0.00 0.00 178.83 178.87 2k8a h LYS 99 N 0.03 0.61 -0.01 1.46 3.11 0.96 -3.12 116.57 119.61 2k8a h LYS 99 Ca -0.06 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 2k8a h LYS 99 Cb 1.82 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.95 2k8a h LYS 99 CO 0.16 0.55 -0.46 -1.71 -2.81 0.00 0.00 179.45 175.17 2k8a n ASN 100 N -4.65 1.68 -2.81 4.20 5.15 0.13 -5.00 115.26 113.97 2k8a n ASN 100 Ca 0.00 -1.34 -0.09 0.00 -0.60 0.00 0.00 54.58 52.55 2k8a n ASN 100 Cb 0.13 0.55 0.04 0.00 -0.53 0.00 0.00 39.78 39.97 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 -0.26 -5.72 -4.98 1.20 2.03 -0.41 -5.05 116.55 103.36 2k8a n ASP 101 Ca 0.07 -0.45 -0.19 0.00 0.52 0.00 0.00 54.79 54.74 2k8a n ASP 101 Cb 0.38 -4.14 0.05 0.00 -0.72 0.00 0.00 41.12 36.70 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 -4.58 3.26 0.22 -2.67 2.01 0.16 -5.01 118.68 112.08 2k8a s LEU 102 Ca 0.28 -0.62 -0.30 0.00 0.01 0.00 0.00 54.13 53.50 2k8a s LEU 102 Cb -0.04 -2.03 -0.09 0.00 0.01 0.00 0.00 46.19 44.04 2k8a s LEU 102 CO 0.57 -1.22 0.93 0.21 1.01 0.00 0.00 176.35 177.84 2k8a s ASN 103 N -4.57 7.61 0.46 2.29 3.84 -1.26 -4.85 114.94 118.46 2k8a s ASN 103 Ca 0.60 1.91 0.30 0.00 0.21 0.00 0.00 52.86 55.88 2k8a s ASN 103 Cb -0.07 -2.60 1.62 0.00 -0.55 0.00 0.00 41.25 39.65 2k8a s ASN 103 CO 0.38 0.14 1.91 -0.65 -2.79 0.00 0.00 177.10 176.08 2k8a h PRO 104 N 4.33 0.00 0.00 0.43 0.11 -1.98 -0.29 132.00 134.59 2k8a h PRO 104 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k8a h PRO 104 Cb 1.20 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 0.00 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 -2.05 -2.12 114.93 115.87 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 0.05 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 2k8a h MET 105 CO 0.00 0.00 -0.53 0.74 0.23 0.00 0.00 176.91 177.35 2k8a h PHE 106 N 0.00 0.00 0.04 1.39 0.04 -1.44 -3.39 116.94 113.58 2k8a h PHE 106 Ca 0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2k8a h PHE 106 Cb 0.32 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 2k8a h PHE 106 CO 0.00 0.18 -0.16 1.25 -0.60 0.00 0.00 178.31 178.98 2k8a h LEU 107 N 0.00 -0.46 -1.05 1.54 5.85 -1.53 0.21 115.31 119.87 2k8a h LEU 107 Ca -0.02 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2k8a h LEU 107 Cb 1.16 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2k8a h LEU 107 CO 0.02 -0.23 -0.47 -0.78 -0.34 0.00 0.00 178.44 176.65 2k8a h ASP 108 N -0.29 0.02 0.30 1.25 3.58 -1.76 -0.14 116.42 119.38 2k8a h ASP 108 Ca 0.04 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2k8a h ASP 108 Cb 0.33 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2k8a h ASP 108 CO -0.12 0.48 -0.14 -0.61 -2.88 0.00 0.00 179.24 175.97 2k8a h GLN 109 N 0.02 -0.38 -0.77 0.28 4.15 -1.53 0.13 115.11 117.01 2k8a h GLN 109 Ca -0.00 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2k8a h GLN 109 Cb 0.83 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 2k8a h GLN 109 CO 0.06 -0.10 0.35 -0.39 -1.93 0.00 0.00 178.83 176.82 2k8a h VAL 110 N -0.65 1.25 -0.71 2.39 -1.51 -0.91 -2.53 116.25 113.57 2k8a h VAL 110 Ca -0.04 -0.73 -0.06 0.00 -1.23 0.00 0.00 66.70 64.64 2k8a h VAL 110 Cb 0.46 0.30 -0.03 0.00 -2.13 0.00 0.00 31.29 29.89 2k8a h VAL 110 CO 0.07 0.30 0.21 0.00 -1.23 0.00 0.00 177.57 176.92 2k8a h ALA 111 N 1.18 0.94 -0.72 5.19 0.00 -0.94 -1.34 119.26 123.56 2k8a h ALA 111 Ca 0.26 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2k8a h ALA 111 Cb 0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2k8a h ALA 111 CO -0.03 0.63 0.21 0.87 0.00 0.00 0.00 179.25 180.93 2k8a h LYS 112 N 1.06 1.13 -0.55 0.00 1.79 -0.52 -0.18 116.57 119.30 2k8a h LYS 112 Ca 0.23 -0.25 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 2k8a h LYS 112 Cb 0.33 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2k8a h LYS 112 CO -0.00 0.97 0.19 0.35 -1.08 0.00 0.00 179.45 179.87 2k8a h PHE 113 N 1.08 0.88 -0.42 -1.35 3.04 -1.18 -0.45 116.94 118.54 2k8a h PHE 113 Ca 0.23 -0.08 0.09 0.00 3.98 0.00 0.00 57.97 62.19 2k8a h PHE 113 Cb 0.32 -0.26 -0.09 0.00 2.56 0.00 0.00 35.95 38.49 2k8a h PHE 113 CO 0.03 0.73 -0.19 0.82 -2.02 0.00 0.00 178.31 177.68 2k8a h ILE 114 N 0.77 0.43 0.23 1.41 2.04 -0.77 -2.40 117.51 119.21 2k8a h ILE 114 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 2k8a h ILE 114 Cb 0.26 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2k8a h ILE 114 CO -0.01 0.00 -0.16 0.40 0.00 0.00 0.00 178.15 178.38 2k8a h ILE 115 N -0.10 0.65 -0.29 -0.67 2.04 -0.55 -3.08 117.51 115.51 2k8a h ILE 115 Ca 0.20 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.08 2k8a h ILE 115 Cb 0.42 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2k8a h ILE 115 CO -0.49 0.00 0.20 -0.78 0.00 0.00 0.00 178.15 177.08 2k8a h ASP 116 N -0.39 0.30 -0.93 1.72 3.58 -0.81 0.17 116.42 120.05 2k8a h ASP 116 Ca -0.02 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.48 2k8a h ASP 116 Cb 0.34 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.26 2k8a h ASP 116 CO 0.00 0.21 0.59 -1.13 -2.88 0.00 0.00 179.24 176.04 2k8a h ASN 117 N 0.35 0.96 -0.51 2.28 -1.24 -1.34 -1.87 115.58 114.20 2k8a h ASN 117 Ca 0.11 0.01 -0.21 0.00 0.71 0.00 0.00 56.30 56.92 2k8a h ASN 117 Cb 0.03 -0.20 -0.13 0.00 0.73 0.00 0.00 38.32 38.76 2k8a h ASN 117 CO -0.02 0.62 0.12 0.35 -1.29 0.00 0.00 177.43 177.21 2k8a n THR 118 N -4.54 2.68 -4.43 -3.57 -2.24 0.24 -4.96 114.28 97.45 2k8a n THR 118 Ca 0.13 -2.27 -0.21 0.00 -2.27 0.00 0.00 64.05 59.43 2k8a n THR 118 Cb 0.15 -0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 2k8a n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k8a s LYS 119 N -3.14 1.65 -0.16 -0.78 2.36 0.33 -5.03 119.74 114.97 2k8a s LYS 119 Ca 0.48 -1.93 -0.36 0.00 -2.55 0.00 0.00 55.97 51.60 2k8a s LYS 119 Cb 0.41 -0.68 -0.13 0.00 -1.05 0.00 0.00 37.83 36.38 2k8a s LYS 119 CO 0.05 -0.27 1.84 0.41 1.55 0.00 0.00 175.35 178.94 2k8a n GLY 120 N -0.68 1.24 3.47 5.54 0.00 -1.26 -4.76 105.19 108.74 2k8a n GLY 120 Ca -0.02 0.89 -0.51 0.00 0.00 0.00 0.00 46.02 46.38 2k8a n GLY 120 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k8a n GLN 121 N 6.26 1.17 0.00 1.61 1.13 -1.26 -3.01 117.38 123.28 2k8a n GLN 121 Ca 0.24 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 2k8a n GLN 121 Cb 0.24 -2.49 0.00 0.00 0.11 0.00 0.00 30.24 28.10 2k8a n GLN 121 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2k8a n MET 122 N 8.02 0.00 -0.02 -1.09 1.56 -1.26 -3.91 117.12 120.42 2k8a n MET 122 Ca 0.39 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.80 2k8a n MET 122 Cb 0.24 0.00 -0.01 0.00 2.15 0.00 0.00 33.22 35.60 2k8a n MET 122 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 2k8a n LEU 123 N 0.00 0.67 0.00 -0.89 -0.00 -1.16 -5.10 117.00 110.51 2k8a n LEU 123 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 2k8a n LEU 123 Cb 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 2k8a n LEU 123 CO 0.00 -0.46 0.00 0.61 -0.00 0.00 0.00 177.39 177.54 2k8a n GLY 124 N 1.99 -1.60 3.25 -3.96 0.00 -1.18 -4.73 105.19 98.96 2k8a n GLY 124 Ca -0.04 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.13 0.99 4.77 -1.26 -4.31 117.00 117.05 2k8a n LEU 125 Ca 0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.97 2k8a n LEU 125 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2k8a n LEU 125 CO 0.00 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 175.94 2k8a n GLY 126 N -1.01 0.68 2.55 -0.72 0.00 -1.26 -5.10 105.19 100.33 2k8a n GLY 126 Ca 0.14 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.40 3.33 0.00 1.61 3.04 -1.26 -5.28 114.94 114.98 2k8a s ASN 127 Ca 0.00 -1.93 0.18 0.00 0.04 0.00 0.00 52.86 51.15 2k8a s ASN 127 Cb 0.00 -0.52 1.06 0.00 -1.54 0.00 0.00 41.25 40.25 2k8a s ASN 127 CO 0.00 -0.35 1.46 -2.65 -3.04 0.00 0.00 177.10 172.52