#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nub h PRO 54 N 0.00 0.00 0.00 0.00 0.11 -2.01 0.15 132.00 130.24 1nub h PRO 54 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nub h PRO 54 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1nub h PRO 54 CO 0.00 0.00 -1.27 0.00 -0.21 0.00 0.00 178.00 176.52 1nub h GLN 56 N 0.00 0.27 -0.15 0.00 4.15 -1.13 0.12 115.11 118.37 1nub h GLN 56 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1nub h GLN 56 Cb 0.80 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1nub h GLN 56 CO 0.00 0.18 0.00 0.09 -1.93 0.00 0.00 178.83 177.17 1nub n ASN 57 N -4.45 3.13 -4.44 -0.69 5.03 -1.26 -4.95 115.26 107.62 1nub n ASN 57 Ca 0.20 -2.92 -0.35 0.00 0.87 0.00 0.00 54.58 52.38 1nub n ASN 57 Cb 0.82 -0.45 -0.13 0.00 -1.02 0.00 0.00 39.78 39.00 1nub n ASN 57 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1nub s HIS 58 N -2.63 3.04 0.01 3.10 2.46 0.42 -5.10 115.29 116.60 1nub s HIS 58 Ca 0.35 -0.47 0.06 0.00 0.47 0.00 0.00 55.06 55.46 1nub s HIS 58 Cb 0.28 -2.09 -0.03 0.00 -0.13 0.00 0.00 32.58 30.61 1nub s HIS 58 CO 0.07 -0.26 -0.16 -1.01 -2.47 0.00 0.00 174.74 170.90 1nub s HIS 59 N 1.05 2.62 0.28 3.88 3.76 -1.26 -4.83 115.29 120.80 1nub s HIS 59 Ca 0.02 -0.22 0.10 0.00 -0.15 0.00 0.00 55.06 54.81 1nub s HIS 59 Cb -0.14 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 1nub s HIS 59 CO 0.02 0.24 -0.00 0.00 -0.85 0.00 0.00 174.74 174.14 1nub s LYS 61 N -3.69 -1.32 0.40 0.00 1.02 -1.26 -4.83 119.74 110.07 1nub s LYS 61 Ca 0.32 0.53 -0.27 0.00 0.02 0.00 0.00 55.97 56.58 1nub s LYS 61 Cb -0.05 -1.53 -0.10 0.00 -0.52 0.00 0.00 37.83 35.62 1nub s LYS 61 CO 0.20 -3.91 1.37 0.72 -0.92 0.00 0.00 175.35 172.81 1nub n HIS 62 N -5.00 2.52 -1.02 3.18 8.25 -1.26 -2.16 115.22 119.73 1nub n HIS 62 Ca 0.06 0.48 -0.01 0.00 -0.26 0.00 0.00 57.72 58.00 1nub n HIS 62 Cb 0.57 -2.45 -0.00 0.00 1.12 0.00 0.00 29.99 29.23 1nub n HIS 62 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nub n GLY 63 N 0.65 0.42 3.38 -1.41 0.00 -1.26 -4.92 105.19 102.05 1nub n GLY 63 Ca 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1nub n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nub s LYS 64 N -0.69 1.44 0.05 1.61 1.02 -0.92 -0.80 119.74 121.45 1nub s LYS 64 Ca 0.00 -1.72 -0.06 0.00 0.02 0.00 0.00 55.97 54.21 1nub s LYS 64 Cb 0.00 -0.96 -0.01 0.00 -0.52 0.00 0.00 37.83 36.34 1nub s LYS 64 CO 0.00 0.01 0.12 0.14 -0.92 0.00 0.00 175.35 174.70 1nub s VAL 65 N -3.15 0.14 -0.06 3.17 -7.23 0.18 -4.64 120.40 108.81 1nub s VAL 65 Ca 0.28 -1.12 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 1nub s VAL 65 Cb 0.04 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 1nub s VAL 65 CO 0.10 -0.62 0.43 0.00 -0.31 0.00 0.00 175.10 174.70 1nub s GLU 67 N -0.23 0.31 0.16 0.00 0.41 0.19 -4.90 118.70 114.65 1nub s GLU 67 Ca 0.24 -0.51 -0.23 0.00 -0.41 0.00 0.00 54.97 54.06 1nub s GLU 67 Cb -0.16 0.12 -0.08 0.00 -1.78 0.00 0.00 34.13 32.23 1nub s GLU 67 CO 0.11 -0.06 0.72 -0.51 -0.49 0.00 0.00 175.26 175.03 1nub s LEU 68 N -1.30 4.52 0.00 1.80 1.43 -1.26 0.64 118.68 124.51 1nub s LEU 68 Ca -0.14 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1nub s LEU 68 Cb -0.09 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1nub s LEU 68 CO -0.00 0.18 0.00 -0.90 0.23 0.00 0.00 176.35 175.86 1nub n ASP 69 N 1.42 0.00 -0.25 2.29 5.75 0.38 -4.84 116.55 121.29 1nub n ASP 69 Ca -0.06 -0.65 -0.04 0.00 -0.01 0.00 0.00 54.79 54.03 1nub n ASP 69 Cb 0.50 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.72 1nub n ASP 69 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1nub h GLU 70 N 0.00 1.09 0.00 0.11 5.08 -1.98 -0.74 114.58 118.14 1nub h GLU 70 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1nub h GLU 70 Cb 0.00 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1nub h GLU 70 CO 0.00 0.85 0.00 0.09 -1.00 0.00 0.00 179.01 178.95 1nub n ASN 71 N -4.31 0.00 0.00 1.42 3.02 -1.26 -4.84 115.26 109.29 1nub n ASN 71 Ca 0.07 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1nub n ASN 71 Cb 0.15 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1nub n ASN 71 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nub n ASN 72 N -1.29 -1.14 -4.72 6.41 5.15 -0.28 -5.02 115.26 114.37 1nub n ASN 72 Ca 0.12 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.68 1nub n ASN 72 Cb 0.21 -0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.24 1nub n ASN 72 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1nub s THR 73 N -2.87 2.94 0.44 -0.44 2.01 -1.26 -4.48 115.64 111.98 1nub s THR 73 Ca 0.00 0.70 -0.25 0.00 0.31 0.00 0.00 61.69 62.45 1nub s THR 73 Cb 0.00 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 1nub s THR 73 CO 0.00 0.07 1.27 -2.16 -0.69 0.00 0.00 174.62 173.11 1nub s PRO 74 N 0.80 3.78 -0.09 4.92 0.04 -1.26 -0.47 135.00 142.73 1nub s PRO 74 Ca 0.65 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 63.66 1nub s PRO 74 Cb -0.40 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 31.57 1nub s PRO 74 CO 0.33 -0.62 0.26 0.00 0.04 0.00 0.00 177.00 177.02 1nub s MET 75 N -2.46 0.35 -0.43 4.56 0.23 0.21 -4.86 119.30 116.91 1nub s MET 75 Ca 0.61 0.28 -0.21 0.00 -1.03 0.00 0.00 55.69 55.33 1nub s MET 75 Cb -0.36 0.17 0.02 0.00 -1.53 0.00 0.00 34.83 33.13 1nub s MET 75 CO 0.45 -0.05 0.67 0.00 -2.03 0.00 0.00 175.02 174.06 1nub s VAL 77 N 2.90 4.13 0.41 0.00 -7.23 0.20 -4.80 120.40 116.00 1nub s VAL 77 Ca 0.24 -1.49 -0.27 0.00 -1.81 0.00 0.00 61.98 58.65 1nub s VAL 77 Cb -0.14 -3.19 -0.10 0.00 0.56 0.00 0.00 36.38 33.51 1nub s VAL 77 CO 0.19 -0.30 1.48 0.00 -0.31 0.00 0.00 175.10 176.16 1nub s GLN 79 N -2.24 3.06 -0.27 0.00 0.74 0.02 -4.68 119.66 116.28 1nub s GLN 79 Ca 0.56 1.67 -0.24 0.00 0.05 0.00 0.00 55.36 57.40 1nub s GLN 79 Cb -0.46 -1.96 -0.00 0.00 1.10 0.00 0.00 33.01 31.69 1nub s GLN 79 CO 0.62 -1.10 0.79 0.34 -0.55 0.00 0.00 175.29 175.38 1nub s ASP 80 N -1.84 6.72 0.55 6.67 -1.08 -1.26 -4.80 116.67 121.62 1nub s ASP 80 Ca 0.74 0.82 0.25 0.00 -0.52 0.00 0.00 52.55 53.84 1nub s ASP 80 Cb -0.26 -2.41 1.44 0.00 -1.46 0.00 0.00 42.92 40.23 1nub s ASP 80 CO 0.32 -0.55 2.02 -0.65 0.52 0.00 0.00 175.17 176.84 1nub h PRO 81 N 7.92 0.00 0.00 4.34 0.11 -1.93 0.41 132.00 142.85 1nub h PRO 81 Ca -0.24 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.82 1nub h PRO 81 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1nub h PRO 81 CO 0.87 0.00 -0.25 1.79 -0.21 0.00 0.00 178.00 180.20 1nub h THR 82 N 0.00 0.85 -0.16 -1.15 1.35 -2.00 -1.39 112.91 110.41 1nub h THR 82 Ca 0.19 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1nub h THR 82 Cb 0.83 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1nub h THR 82 CO -0.00 0.24 0.00 -1.54 -0.25 0.00 0.00 175.52 173.97 1nub n SER 83 N -3.77 2.18 -4.65 5.36 3.41 0.14 -4.77 113.62 111.52 1nub n SER 83 Ca -0.01 -2.23 -0.35 0.00 -0.26 0.00 0.00 58.87 56.02 1nub n SER 83 Cb 0.35 -0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 1nub n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nub s PRO 85 N -0.35 1.03 0.08 0.00 0.02 -1.26 -4.99 135.00 129.53 1nub s PRO 85 Ca 0.07 1.24 -0.21 0.00 0.02 0.00 0.00 61.00 62.12 1nub s PRO 85 Cb -0.12 -1.75 -0.07 0.00 0.02 0.00 0.00 34.50 32.58 1nub s PRO 85 CO 0.02 -2.52 0.64 0.00 -0.33 0.00 0.00 177.00 174.81 1nub s ALA 86 N -2.72 3.53 0.57 -1.55 0.00 -1.26 -4.98 121.76 115.34 1nub s ALA 86 Ca 0.65 0.13 -0.21 0.00 0.00 0.00 0.00 51.96 52.54 1nub s ALA 86 Cb -0.21 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1nub s ALA 86 CO 0.58 0.32 1.32 -2.14 0.00 0.00 0.00 175.76 175.84 1nub s PRO 87 N -0.92 3.02 0.36 0.00 0.02 -1.26 -4.90 135.00 131.32 1nub s PRO 87 Ca 0.32 2.14 0.19 0.00 0.02 0.00 0.00 61.00 63.67 1nub s PRO 87 Cb -0.20 -2.14 0.38 0.00 0.02 0.00 0.00 34.50 32.55 1nub s PRO 87 CO 0.21 -1.25 1.59 -0.84 -0.33 0.00 0.00 177.00 176.38 1nub h ILE 88 N 1.21 0.58 -3.22 2.83 3.07 -1.96 -3.47 117.51 116.55 1nub h ILE 88 Ca -0.51 -1.63 0.02 0.00 1.55 0.00 0.00 64.86 64.29 1nub h ILE 88 Cb 1.31 2.14 -0.07 0.00 -0.27 0.00 0.00 36.82 39.93 1nub h ILE 88 CO 0.56 0.30 0.11 -0.83 -1.05 0.00 0.00 178.15 177.25 1nub s GLY 89 N -4.35 0.10 0.39 0.16 0.00 -1.26 -5.04 107.32 97.32 1nub s GLY 89 Ca 0.04 -0.47 0.07 0.00 0.00 0.00 0.00 44.72 44.36 1nub s GLY 89 CO 0.70 -0.27 1.99 -2.09 0.00 0.00 0.00 173.10 173.43 1nub h GLU 90 N 2.09 0.44 0.00 2.90 4.57 -1.99 -2.06 114.58 120.53 1nub h GLU 90 Ca -0.22 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1nub h GLU 90 Cb 1.25 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1nub h GLU 90 CO 0.28 0.39 0.00 0.27 -1.18 0.00 0.00 179.01 178.77 1nub h PHE 91 N 0.44 0.00 -0.00 0.92 -0.00 -1.98 -0.82 116.94 115.50 1nub h PHE 91 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.08 1nub h PHE 91 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.08 1nub h PHE 91 CO 0.00 0.00 -0.12 0.39 -0.00 0.00 0.00 178.31 178.59 1nub n GLU 92 N -2.97 0.05 -1.26 6.09 1.02 -0.78 -3.88 120.64 118.90 1nub n GLU 92 Ca -0.03 -0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 1nub n GLU 92 Cb 0.08 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.16 1nub n GLU 92 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1nub s LYS 93 N -2.96 0.80 0.08 3.49 1.02 -0.31 -4.26 119.74 117.59 1nub s LYS 93 Ca 0.15 0.54 0.01 0.00 0.02 0.00 0.00 55.97 56.68 1nub s LYS 93 Cb 0.19 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.68 1nub s LYS 93 CO 0.56 -2.48 -0.05 0.14 -0.92 0.00 0.00 175.35 172.60 1nub s VAL 94 N -3.03 0.48 -0.18 3.17 -7.23 -0.82 0.16 120.40 112.95 1nub s VAL 94 Ca 0.64 -1.86 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1nub s VAL 94 Cb -0.18 -1.59 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1nub s VAL 94 CO 0.56 -0.92 -0.14 0.00 -0.31 0.00 0.00 175.10 174.30 1nub s SER 96 N 1.19 1.82 0.30 0.00 1.04 0.10 -0.27 113.70 117.88 1nub s SER 96 Ca 0.02 0.68 0.26 0.00 0.48 0.00 0.00 55.95 57.39 1nub s SER 96 Cb -0.14 -0.98 0.87 0.00 0.10 0.00 0.00 66.02 65.86 1nub s SER 96 CO -0.06 -3.57 1.76 -0.55 0.98 0.00 0.00 173.24 171.80 1nub h ASN 97 N -2.20 0.00 -0.86 7.02 -1.07 -0.26 -3.00 115.58 115.20 1nub h ASN 97 Ca -0.47 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.40 1nub h ASN 97 Cb 1.29 0.00 -0.26 0.00 -2.07 0.00 0.00 38.32 37.28 1nub h ASN 97 CO 0.41 0.00 0.65 -0.90 0.07 0.00 0.00 177.43 177.66 1nub n ASP 98 N -2.49 5.22 -2.80 6.14 5.68 -1.26 -4.87 116.55 122.17 1nub n ASP 98 Ca 0.04 -3.47 -0.17 0.00 -0.50 0.00 0.00 54.79 50.69 1nub n ASP 98 Cb 0.37 -0.88 -0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1nub n ASP 98 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1nub n ASN 99 N -0.78 -3.97 -4.50 -1.12 5.15 -1.13 -4.96 115.26 103.95 1nub n ASN 99 Ca 0.53 -0.04 -0.36 0.00 -0.60 0.00 0.00 54.58 54.11 1nub n ASN 99 Cb 1.15 -3.33 -0.12 0.00 -0.53 0.00 0.00 39.78 36.95 1nub n ASN 99 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1nub s LYS 100 N -5.42 3.74 -0.60 1.20 1.02 -1.26 -4.92 119.74 113.50 1nub s LYS 100 Ca 0.16 -0.44 -0.22 0.00 0.02 0.00 0.00 55.97 55.49 1nub s LYS 100 Cb -0.08 -3.31 0.07 0.00 -0.52 0.00 0.00 37.83 33.98 1nub s LYS 100 CO 0.20 -0.08 0.88 -0.08 -0.92 0.00 0.00 175.35 175.35 1nub s THR 101 N 1.33 4.48 0.85 2.17 -1.32 -1.26 -0.72 115.64 121.16 1nub s THR 101 Ca 0.05 -0.30 -0.12 0.00 -1.21 0.00 0.00 61.69 60.11 1nub s THR 101 Cb -0.15 -4.57 0.10 0.00 -1.51 0.00 0.00 72.50 66.37 1nub s THR 101 CO 0.04 -1.24 1.11 -0.36 -2.21 0.00 0.00 174.62 171.95 1nub s PHE 102 N 3.66 2.66 -1.06 9.09 0.40 0.15 -4.87 117.98 128.02 1nub s PHE 102 Ca 0.22 1.07 0.28 0.00 -0.60 0.00 0.00 56.93 57.90 1nub s PHE 102 Cb -0.17 -3.21 1.09 0.00 0.51 0.00 0.00 43.02 41.25 1nub s PHE 102 CO 0.12 -2.05 1.82 -0.25 0.70 0.00 0.00 175.22 175.56 1nub n ASP 103 N -3.60 0.14 0.00 1.36 8.00 -1.26 -1.94 116.55 119.24 1nub n ASP 103 Ca 0.07 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1nub n ASP 103 Cb 0.57 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1nub n ASP 103 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1nub n SER 104 N -1.46 0.00 -0.02 -2.24 3.41 -1.26 -4.06 113.62 108.00 1nub n SER 104 Ca 0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1nub n SER 104 Cb 0.33 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.54 1nub n SER 104 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nub h SER 105 N 0.00 0.53 0.02 4.04 0.02 -1.92 -0.56 113.55 115.69 1nub h SER 105 Ca 0.00 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1nub h SER 105 Cb 0.00 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1nub h SER 105 CO 0.00 0.62 -0.10 0.00 -1.14 0.00 0.00 176.83 176.22 1nub h HIS 107 N -0.18 -0.13 0.59 0.00 -0.00 -1.81 -1.46 115.15 112.16 1nub h HIS 107 Ca 0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1nub h HIS 107 Cb 0.21 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 1nub h HIS 107 CO -0.15 -0.08 -0.49 0.35 -0.00 0.00 0.00 177.93 177.56 1nub h PHE 108 N -0.12 -1.34 -0.96 2.45 3.57 -0.53 -1.26 116.94 118.75 1nub h PHE 108 Ca -0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1nub h PHE 108 Cb 0.11 0.51 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 1nub h PHE 108 CO -0.09 -0.68 0.62 0.74 -2.23 0.00 0.00 178.31 176.66 1nub h PHE 109 N -1.06 1.10 -0.55 0.41 0.04 -0.25 0.52 116.94 117.15 1nub h PHE 109 Ca -0.07 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 1nub h PHE 109 Cb 0.89 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 1nub h PHE 109 CO -0.20 0.52 -0.05 0.00 -0.60 0.00 0.00 178.31 177.98 1nub h ALA 110 N 1.51 0.88 0.39 2.45 0.00 -1.10 -1.44 119.26 121.95 1nub h ALA 110 Ca 0.43 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1nub h ALA 110 Cb 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nub h ALA 110 CO -0.19 0.65 -0.19 1.15 0.00 0.00 0.00 179.25 180.67 1nub h THR 111 N 0.89 0.61 -0.10 0.00 2.02 -0.24 -2.72 112.91 113.37 1nub h THR 111 Ca 0.15 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1nub h THR 111 Cb 0.58 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1nub h THR 111 CO 0.04 0.06 0.23 0.50 0.37 0.00 0.00 175.52 176.71 1nub h LYS 112 N -0.69 0.00 -0.08 6.66 3.64 -0.80 -1.77 116.57 123.53 1nub h LYS 112 Ca -0.05 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.10 1nub h LYS 112 Cb 0.49 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1nub h LYS 112 CO 0.09 0.00 -0.86 0.00 -2.27 0.00 0.00 179.45 176.40 1nub h THR 114 N 0.42 1.18 -0.00 0.00 1.35 -1.25 -1.24 112.91 113.37 1nub h THR 114 Ca -0.07 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1nub h THR 114 Cb 1.49 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1nub h THR 114 CO 0.17 0.25 0.00 0.18 -0.25 0.00 0.00 175.52 175.87 1nub n LEU 115 N -4.27 0.02 -4.66 3.87 4.32 -1.15 -4.90 117.00 110.24 1nub n LEU 115 Ca -0.01 -0.01 -0.47 0.00 -0.02 0.00 0.00 56.01 55.51 1nub n LEU 115 Cb 0.27 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.03 1nub n LEU 115 CO 0.38 0.00 1.11 1.21 -1.22 0.00 0.00 177.39 178.87 1nub n GLU 116 N -0.87 1.96 -0.23 3.23 2.13 -0.47 -0.93 120.64 125.46 1nub n GLU 116 Ca 0.19 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.71 1nub n GLU 116 Cb 0.09 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.37 1nub n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nub n GLY 117 N 3.03 1.77 3.93 8.31 0.00 -1.26 -5.02 105.19 115.95 1nub n GLY 117 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1nub n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nub s THR 118 N -2.96 5.24 0.10 2.61 2.01 -0.10 -5.00 115.64 117.53 1nub s THR 118 Ca 0.00 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 1nub s THR 118 Cb 0.00 -3.75 -0.12 0.00 0.01 0.00 0.00 72.50 68.65 1nub s THR 118 CO 0.00 -0.17 1.71 0.11 -0.69 0.00 0.00 174.62 175.58 1nub h LYS 119 N 1.95 0.13 -0.78 4.92 1.57 -1.96 -0.59 116.57 121.82 1nub h LYS 119 Ca -0.48 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.37 1nub h LYS 119 Cb 1.19 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 1nub h LYS 119 CO 0.68 0.14 0.44 -0.22 -0.57 0.00 0.00 179.45 179.91 1nub h LYS 120 N 0.09 0.74 -0.56 3.15 3.64 -1.95 -0.45 116.57 121.23 1nub h LYS 120 Ca 0.04 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1nub h LYS 120 Cb 0.04 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1nub h LYS 120 CO -0.01 0.49 0.04 0.78 -2.27 0.00 0.00 179.45 178.48 1nub h GLY 121 N 0.76 1.00 1.02 5.01 0.00 -1.56 -0.32 103.07 108.97 1nub h GLY 121 Ca 0.37 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1nub h GLY 121 CO -0.23 0.62 0.53 0.45 0.00 0.00 0.00 176.54 177.91 1nub h HIS 122 N 0.86 1.15 0.00 5.60 3.86 0.49 -2.43 115.15 124.68 1nub h HIS 122 Ca 0.17 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1nub h HIS 122 Cb 0.45 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1nub h HIS 122 CO 0.03 0.76 -0.37 1.63 0.86 0.00 0.00 177.93 180.84 1nub n LYS 123 N -4.42 0.05 -2.47 2.45 5.02 -0.65 -4.83 118.16 113.31 1nub n LYS 123 Ca 0.09 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 1nub n LYS 123 Cb 0.06 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 1nub n LYS 123 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1nub s LEU 124 N -3.22 4.24 -0.01 -0.35 2.96 -0.16 -4.93 118.68 117.21 1nub s LEU 124 Ca 0.11 1.74 -0.11 0.00 -0.22 0.00 0.00 54.13 55.66 1nub s LEU 124 Cb 0.17 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1nub s LEU 124 CO 0.65 -0.63 0.22 -1.00 -1.32 0.00 0.00 176.35 174.28 1nub s HIS 125 N 2.60 -0.07 0.02 5.38 3.76 -1.26 -4.96 115.29 120.75 1nub s HIS 125 Ca 0.54 0.07 -0.30 0.00 -0.15 0.00 0.00 55.06 55.22 1nub s HIS 125 Cb -0.23 0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.44 1nub s HIS 125 CO 0.19 -0.33 1.20 -1.17 -0.85 0.00 0.00 174.74 173.77 1nub s LEU 126 N -1.33 4.34 -0.21 0.89 2.96 -1.26 0.48 118.68 124.55 1nub s LEU 126 Ca -0.14 1.93 -0.21 0.00 -0.22 0.00 0.00 54.13 55.49 1nub s LEU 126 Cb -0.06 -3.57 -0.19 0.00 0.50 0.00 0.00 46.19 42.86 1nub s LEU 126 CO 0.03 -0.51 0.22 -0.78 -1.32 0.00 0.00 176.35 173.99 1nub h ASP 127 N 7.07 0.01 -4.13 3.68 3.58 -0.81 -3.32 116.42 122.50 1nub h ASP 127 Ca -0.39 -0.52 0.11 0.00 0.42 0.00 0.00 57.03 56.65 1nub h ASP 127 Cb 1.20 -0.00 -0.22 0.00 1.72 0.00 0.00 39.33 42.02 1nub h ASP 127 CO 0.83 1.51 0.58 -0.72 -2.88 0.00 0.00 179.24 178.56 1nub s TYR 128 N -2.37 -0.33 0.50 0.28 -0.85 -0.96 -4.33 117.35 109.30 1nub s TYR 128 Ca -0.29 0.50 -0.22 0.00 -0.52 0.00 0.00 57.07 56.55 1nub s TYR 128 Cb 0.06 0.47 -0.06 0.00 0.38 0.00 0.00 41.96 42.80 1nub s TYR 128 CO 0.60 -0.34 1.19 0.42 -1.52 0.00 0.00 175.55 175.90 1nub s ILE 129 N -1.45 2.93 0.00 -3.49 1.09 -1.26 -0.76 121.20 118.26 1nub s ILE 129 Ca 0.01 0.66 0.00 0.00 -1.10 0.00 0.00 60.65 60.22 1nub s ILE 129 Cb -0.01 -3.32 0.00 0.00 -1.06 0.00 0.00 42.46 38.08 1nub s ILE 129 CO -0.01 -0.04 0.00 0.61 -0.10 0.00 0.00 174.94 175.40 1nub n GLY 130 N 0.44 2.08 3.75 6.18 0.00 0.42 -4.76 105.19 113.29 1nub n GLY 130 Ca 0.09 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 1nub n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nub s PRO 131 N -3.17 2.25 0.53 1.61 0.04 -1.24 -2.03 135.00 132.99 1nub s PRO 131 Ca 0.00 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.22 1nub s PRO 131 Cb 0.00 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1nub s PRO 131 CO 0.00 -1.68 1.37 0.00 0.04 0.00 0.00 177.00 176.73 1nub s LYS 133 N -2.79 1.50 0.04 0.00 -2.85 -1.26 -5.05 119.74 109.34 1nub s LYS 133 Ca 0.70 -1.17 -0.31 0.00 -1.00 0.00 0.00 55.97 54.19 1nub s LYS 133 Cb -0.43 0.48 -0.07 0.00 -2.06 0.00 0.00 37.83 35.76 1nub s LYS 133 CO 0.51 -0.63 1.44 -0.47 0.10 0.00 0.00 175.35 176.30 1nub s TYR 134 N -3.98 2.88 -0.22 1.78 5.04 -1.26 -4.98 117.35 116.60 1nub s TYR 134 Ca 0.19 0.77 -0.01 0.00 -2.44 0.00 0.00 57.07 55.58 1nub s TYR 134 Cb -0.01 -3.72 0.02 0.00 0.35 0.00 0.00 41.96 38.60 1nub s TYR 134 CO 0.06 -2.67 -0.11 0.42 -1.34 0.00 0.00 175.55 171.91 1nub s ILE 135 N 2.11 2.64 0.78 3.14 -1.09 -1.26 -5.11 121.20 122.41 1nub s ILE 135 Ca 0.66 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 58.02 1nub s ILE 135 Cb -0.34 -2.26 0.06 0.00 -1.58 0.00 0.00 42.46 38.34 1nub s ILE 135 CO 0.28 0.34 1.11 -2.16 -1.23 0.00 0.00 174.94 173.28 1nub s PRO 136 N 1.33 2.11 0.50 2.79 0.04 -1.26 -5.00 135.00 135.50 1nub s PRO 136 Ca 0.02 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 1nub s PRO 136 Cb -0.15 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1nub s PRO 136 CO -0.07 -1.77 1.03 -1.25 0.04 0.00 0.00 177.00 174.97 1nub s PRO 137 N -4.66 3.78 -0.57 0.56 0.04 -1.26 -4.92 135.00 127.96 1nub s PRO 137 Ca 0.64 1.29 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 1nub s PRO 137 Cb -0.19 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.28 1nub s PRO 137 CO 0.53 -0.44 1.09 0.00 0.04 0.00 0.00 177.00 178.23 1nub s LEU 139 N 4.56 3.40 0.46 0.00 2.01 -1.26 -4.83 118.68 123.02 1nub s LEU 139 Ca 0.38 2.14 0.16 0.00 0.01 0.00 0.00 54.13 56.82 1nub s LEU 139 Cb -0.09 -4.57 1.12 0.00 0.01 0.00 0.00 46.19 42.66 1nub s LEU 139 CO 0.23 -1.81 2.00 0.44 1.01 0.00 0.00 176.35 178.22 1nub h ASP 140 N 0.02 0.27 -0.25 2.29 5.19 -1.99 -1.81 116.42 120.13 1nub h ASP 140 Ca -0.47 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 55.87 1nub h ASP 140 Cb 1.26 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 1nub h ASP 140 CO 0.53 0.16 -0.15 0.77 -3.12 0.00 0.00 179.24 177.43 1nub h SER 141 N 0.30 0.56 -0.16 6.45 4.64 -2.00 -2.75 113.55 120.58 1nub h SER 141 Ca 0.24 -0.42 0.04 0.00 -0.47 0.00 0.00 61.79 61.18 1nub h SER 141 Cb 0.57 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1nub h SER 141 CO -0.05 0.86 -0.09 -0.33 -0.87 0.00 0.00 176.83 176.34 1nub h GLU 142 N 0.26 -0.08 -0.12 4.77 5.08 -1.74 -0.19 114.58 122.56 1nub h GLU 142 Ca 0.05 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1nub h GLU 142 Cb 0.66 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1nub h GLU 142 CO 0.04 -0.06 0.18 1.25 -1.00 0.00 0.00 179.01 179.42 1nub h LEU 143 N -0.09 0.00 0.02 1.33 5.85 -1.29 -0.55 115.31 120.59 1nub h LEU 143 Ca 0.09 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.59 1nub h LEU 143 Cb 0.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1nub h LEU 143 CO -0.22 0.00 -1.12 0.74 -0.34 0.00 0.00 178.44 177.51 1nub h THR 144 N 0.00 1.59 0.07 1.05 2.02 -0.74 -3.33 112.91 113.58 1nub h THR 144 Ca 0.06 -3.30 -0.27 0.00 0.77 0.00 0.00 66.41 63.67 1nub h THR 144 Cb 0.41 2.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1nub h THR 144 CO -0.00 0.92 -1.37 -0.33 0.37 0.00 0.00 175.52 175.10 1nub h GLU 145 N 0.01 0.15 -0.76 6.66 5.08 -0.81 -3.40 114.58 121.52 1nub h GLU 145 Ca -0.06 -0.26 0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1nub h GLU 145 Cb 1.83 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 31.05 1nub h GLU 145 CO 0.13 1.01 -0.32 0.34 -1.00 0.00 0.00 179.01 179.18 1nub n PHE 146 N -3.38 -0.03 -0.15 4.33 7.35 -0.35 0.23 117.46 125.47 1nub n PHE 146 Ca -0.11 0.93 -0.02 0.00 -0.76 0.00 0.00 57.45 57.50 1nub n PHE 146 Cb 1.01 -0.75 0.22 0.00 0.35 0.00 0.00 39.48 40.31 1nub n PHE 146 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1nub h PRO 147 N 0.00 0.85 0.14 -7.13 0.11 -1.79 0.20 132.00 124.39 1nub h PRO 147 Ca 0.24 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 1nub h PRO 147 Cb 0.43 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1nub h PRO 147 CO -0.75 0.70 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.61 1nub h LEU 148 N 0.84 -0.16 -0.86 2.35 3.38 -0.47 -1.84 115.31 118.55 1nub h LEU 148 Ca 0.20 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1nub h LEU 148 Cb 0.17 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1nub h LEU 148 CO -0.02 0.17 -0.15 0.03 0.09 0.00 0.00 178.44 178.57 1nub h ARG 149 N -0.52 0.69 0.54 1.13 3.08 -0.88 -3.09 114.38 115.34 1nub h ARG 149 Ca -0.02 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1nub h ARG 149 Cb 0.41 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1nub h ARG 149 CO 0.03 0.80 -0.26 1.98 -1.07 0.00 0.00 179.97 181.45 1nub h MET 150 N 0.62 -0.70 0.00 0.04 4.05 -0.54 -1.77 114.93 116.62 1nub h MET 150 Ca 0.10 0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1nub h MET 150 Cb 0.60 0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1nub h MET 150 CO 0.04 -0.44 -0.05 0.07 0.23 0.00 0.00 176.91 176.76 1nub h ARG 151 N -0.80 0.00 0.09 0.39 0.11 -1.34 0.20 114.38 113.02 1nub h ARG 151 Ca -0.07 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.73 1nub h ARG 151 Cb 0.59 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.70 1nub h ARG 151 CO 0.12 0.05 -1.13 -0.44 0.10 0.00 0.00 179.97 178.67 1nub h ASP 152 N 0.00 0.84 -0.38 0.08 3.32 -1.48 -2.49 116.42 116.31 1nub h ASP 152 Ca -0.00 -0.81 0.02 0.00 0.02 0.00 0.00 57.03 56.26 1nub h ASP 152 Cb 0.11 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1nub h ASP 152 CO 0.01 1.56 0.21 -0.25 -1.72 0.00 0.00 179.24 179.04 1nub h TRP 153 N 0.24 0.39 -0.71 4.55 7.01 -0.24 -0.95 115.95 126.23 1nub h TRP 153 Ca -0.17 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.85 1nub h TRP 153 Cb 1.81 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 28.72 1nub h TRP 153 CO 0.12 0.22 0.45 -0.07 -2.79 0.00 0.00 178.44 176.36 1nub h LEU 154 N 0.42 0.83 0.01 0.65 3.38 -0.70 0.16 115.31 120.06 1nub h LEU 154 Ca 0.16 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1nub h LEU 154 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1nub h LEU 154 CO -0.09 0.63 -0.00 0.50 0.09 0.00 0.00 178.44 179.56 1nub h LYS 155 N 0.96 -0.01 -0.69 1.13 3.64 -0.96 -1.02 116.57 119.62 1nub h LYS 155 Ca 0.26 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1nub h LYS 155 Cb -0.07 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1nub h LYS 155 CO -0.05 0.03 0.42 -0.91 -2.27 0.00 0.00 179.45 176.67 1nub h ASN 156 N -0.05 0.83 -0.97 4.20 2.35 -0.86 -0.29 115.58 120.79 1nub h ASN 156 Ca -0.00 -0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1nub h ASN 156 Cb 0.05 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.15 1nub h ASN 156 CO 0.00 0.64 0.63 0.58 -1.65 0.00 0.00 177.43 177.63 1nub h VAL 157 N 0.94 1.09 -0.20 2.81 2.07 -0.45 -1.56 116.25 120.95 1nub h VAL 157 Ca 0.25 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 1nub h VAL 157 Cb -0.04 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.58 1nub h VAL 157 CO -0.05 0.21 -0.47 0.25 0.02 0.00 0.00 177.57 177.53 1nub h LEU 158 N 1.13 0.56 -0.36 2.57 5.85 -0.36 -1.93 115.31 122.76 1nub h LEU 158 Ca 0.41 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 1nub h LEU 158 Cb 0.16 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1nub h LEU 158 CO -0.16 0.94 -0.28 -0.37 -0.34 0.00 0.00 178.44 178.23 1nub h VAL 159 N 0.41 1.28 0.00 1.05 -1.51 -0.09 -1.39 116.25 116.01 1nub h VAL 159 Ca 0.02 -1.44 0.00 0.00 -1.23 0.00 0.00 66.70 64.05 1nub h VAL 159 Cb 0.98 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1nub h VAL 159 CO 0.09 0.48 -0.40 0.71 -1.23 0.00 0.00 177.57 177.21 1nub h THR 160 N 0.62 0.00 0.01 7.19 1.35 -1.49 -3.35 112.91 117.24 1nub h THR 160 Ca 0.07 -0.66 -0.06 0.00 -0.55 0.00 0.00 66.41 65.20 1nub h THR 160 Cb 0.85 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1nub h THR 160 CO 0.07 0.00 -0.32 -0.07 -0.25 0.00 0.00 175.52 174.96 1nub h LEU 161 N 0.00 0.05 -7.77 3.87 3.38 -1.30 -3.41 115.31 110.13 1nub h LEU 161 Ca 0.00 -0.91 -0.74 0.00 0.09 0.00 0.00 57.88 56.32 1nub h LEU 161 Cb 0.83 -0.02 -0.30 0.00 0.09 0.00 0.00 40.66 41.26 1nub h LEU 161 CO 0.00 1.13 -0.21 -0.31 0.09 0.00 0.00 178.44 179.14 1nub s TYR 162 N -2.27 3.53 -0.16 1.13 1.51 -0.53 -4.85 117.35 115.71 1nub s TYR 162 Ca -0.20 -2.22 0.06 0.00 -1.01 0.00 0.00 57.07 53.69 1nub s TYR 162 Cb -0.01 -3.50 -0.14 0.00 -0.11 0.00 0.00 41.96 38.20 1nub s TYR 162 CO 0.69 -0.94 -0.07 0.39 -1.11 0.00 0.00 175.55 174.51 1nub n GLU 163 N 4.05 1.00 -4.42 -0.62 1.02 -1.26 -4.65 120.64 115.76 1nub n GLU 163 Ca 0.05 0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 57.04 1nub n GLU 163 Cb 0.42 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 1nub n GLU 163 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1nub s ARG 164 N -2.35 1.58 0.60 3.49 0.52 -1.26 -5.01 118.95 116.51 1nub s ARG 164 Ca -0.17 -1.86 0.30 0.00 -0.52 0.00 0.00 55.73 53.49 1nub s ARG 164 Cb 0.05 -0.83 1.81 0.00 0.52 0.00 0.00 34.95 36.51 1nub s ARG 164 CO 0.48 -0.15 2.22 -0.44 0.02 0.00 0.00 175.30 177.42 1nub h ASP 165 N 2.20 0.00 0.26 0.23 3.32 -1.97 0.28 116.42 120.74 1nub h ASP 165 Ca -0.40 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 1nub h ASP 165 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1nub h ASP 165 CO 0.68 0.00 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.40 1nub h GLU 166 N 0.00 0.26 -0.10 3.56 3.07 -2.01 -2.43 114.58 116.93 1nub h GLU 166 Ca 0.02 -0.14 -0.22 0.00 -0.50 0.00 0.00 59.36 58.53 1nub h GLU 166 Cb 0.13 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1nub h GLU 166 CO -0.00 0.68 -0.81 -0.44 -1.40 0.00 0.00 179.01 177.04 1nub h ASP 167 N 0.21 0.75 0.00 1.42 3.32 -0.83 -3.19 116.42 118.10 1nub h ASP 167 Ca 0.01 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1nub h ASP 167 Cb 0.91 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1nub h ASP 167 CO 0.07 1.29 0.00 0.59 -1.72 0.00 0.00 179.24 179.48 1nub n ASN 168 N -3.88 2.83 -0.02 6.45 5.03 -0.52 -4.42 115.26 120.73 1nub n ASN 168 Ca -0.07 -1.75 -0.12 0.00 0.87 0.00 0.00 54.58 53.51 1nub n ASN 168 Cb 0.76 -0.50 -0.08 0.00 -1.02 0.00 0.00 39.78 38.93 1nub n ASN 168 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 1nub h ASN 169 N 0.53 0.11 -0.17 6.41 2.35 -1.55 -3.23 115.58 120.03 1nub h ASN 169 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1nub h ASN 169 Cb 0.83 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.17 1nub h ASN 169 CO 0.00 0.43 0.00 0.18 -1.65 0.00 0.00 177.43 176.39 1nub n LEU 170 N -4.84 1.69 -4.80 1.61 4.77 -1.26 -4.90 117.00 109.26 1nub n LEU 170 Ca -0.07 -0.70 -0.38 0.00 -0.03 0.00 0.00 56.01 54.83 1nub n LEU 170 Cb 0.21 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1nub n LEU 170 CO 0.35 0.35 0.38 -0.76 -1.33 0.00 0.00 177.39 176.38 1nub s LEU 171 N -1.58 4.48 1.11 2.23 1.43 -1.22 -5.07 118.68 120.05 1nub s LEU 171 Ca 0.32 1.42 -0.17 0.00 -1.03 0.00 0.00 54.13 54.68 1nub s LEU 171 Cb 0.18 -3.28 0.24 0.00 0.03 0.00 0.00 46.19 43.36 1nub s LEU 171 CO 0.26 0.16 1.13 0.42 0.23 0.00 0.00 176.35 178.56 1nub s THR 172 N -1.28 1.76 0.12 5.49 -4.23 -1.26 -4.74 115.64 111.50 1nub s THR 172 Ca 0.36 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 1nub s THR 172 Cb -0.19 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 1nub s THR 172 CO 0.22 0.00 1.49 -0.33 -0.54 0.00 0.00 174.62 175.46 1nub h GLU 173 N -2.24 0.79 -0.88 3.99 4.39 -1.97 -0.24 114.58 118.41 1nub h GLU 173 Ca -0.47 -0.35 0.08 0.00 0.34 0.00 0.00 59.36 58.95 1nub h GLU 173 Cb 1.30 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.86 1nub h GLU 173 CO 0.42 0.98 0.54 -0.22 -1.16 0.00 0.00 179.01 179.56 1nub h LYS 174 N 0.58 0.91 -0.09 2.33 3.64 -1.98 -0.19 116.57 121.77 1nub h LYS 174 Ca 0.08 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1nub h LYS 174 Cb 0.76 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1nub h LYS 174 CO 0.06 0.60 -0.32 1.96 -2.27 0.00 0.00 179.45 179.48 1nub h GLN 175 N 0.94 0.37 -0.83 1.90 4.20 -1.90 -2.65 115.11 117.14 1nub h GLN 175 Ca 0.40 -0.28 0.15 0.00 0.06 0.00 0.00 58.65 58.98 1nub h GLN 175 Cb 0.27 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.00 1nub h GLN 175 CO -0.21 0.91 0.40 0.87 -0.67 0.00 0.00 178.83 180.13 1nub h LYS 176 N -0.09 0.54 -0.65 1.46 1.57 -0.45 0.58 116.57 119.53 1nub h LYS 176 Ca -0.01 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1nub h LYS 176 Cb 0.95 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1nub h LYS 176 CO 0.07 0.35 0.17 1.25 -0.57 0.00 0.00 179.45 180.72 1nub h LEU 177 N 0.55 0.98 -0.49 2.94 5.85 -1.02 -1.78 115.31 122.33 1nub h LEU 177 Ca 0.46 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1nub h LEU 177 Cb 0.69 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1nub h LEU 177 CO -0.39 0.95 0.32 0.03 -0.34 0.00 0.00 178.44 179.01 1nub h ARG 178 N 0.96 0.65 -0.16 1.25 2.47 -0.54 -1.75 114.38 117.26 1nub h ARG 178 Ca 0.21 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.78 1nub h ARG 178 Cb 0.34 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1nub h ARG 178 CO -0.00 0.44 -0.36 -0.39 0.56 0.00 0.00 179.97 180.23 1nub h VAL 179 N 0.67 1.29 -0.10 2.04 -1.51 -1.15 -0.88 116.25 116.61 1nub h VAL 179 Ca 0.18 -1.42 0.04 0.00 -1.23 0.00 0.00 66.70 64.26 1nub h VAL 179 Cb -0.07 1.56 -0.05 0.00 -2.13 0.00 0.00 31.29 30.61 1nub h VAL 179 CO -0.04 0.44 -0.17 0.50 -1.23 0.00 0.00 177.57 177.07 1nub h LYS 180 N 0.29 -0.22 -0.46 5.19 3.64 -0.80 0.12 116.57 124.33 1nub h LYS 180 Ca 0.03 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1nub h LYS 180 Cb 0.77 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 1nub h LYS 180 CO 0.06 -0.14 0.25 0.87 -2.27 0.00 0.00 179.45 178.21 1nub h LYS 181 N -0.23 0.48 -0.62 1.90 1.79 -0.94 0.11 116.57 119.06 1nub h LYS 181 Ca 0.09 -0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.64 1nub h LYS 181 Cb 0.35 -0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 30.81 1nub h LYS 181 CO -0.23 0.32 0.18 0.82 -1.08 0.00 0.00 179.45 179.46 1nub h ILE 182 N 0.49 0.69 -0.56 1.86 1.08 -0.25 0.60 117.51 121.43 1nub h ILE 182 Ca 0.19 -0.11 -0.08 0.00 -0.39 0.00 0.00 64.86 64.47 1nub h ILE 182 Cb 0.07 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1nub h ILE 182 CO -0.12 0.06 0.04 0.45 -0.69 0.00 0.00 178.15 177.89 1nub h HIS 183 N 0.33 0.99 -0.57 1.37 3.86 0.36 0.04 115.15 121.53 1nub h HIS 183 Ca 0.32 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1nub h HIS 183 Cb 0.46 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1nub h HIS 183 CO -0.21 0.87 0.30 0.93 0.86 0.00 0.00 177.93 180.68 1nub h GLU 184 N 0.87 0.79 -0.25 2.45 5.08 0.93 -2.15 114.58 122.30 1nub h GLU 184 Ca 0.17 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1nub h GLU 184 Cb 0.45 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1nub h GLU 184 CO 0.02 0.62 0.00 -0.97 -1.00 0.00 0.00 179.01 177.68 1nub h ASN 185 N 0.76 0.44 -0.44 1.42 -1.24 -0.54 -2.69 115.58 113.28 1nub h ASN 185 Ca 0.20 -0.31 0.04 0.00 0.71 0.00 0.00 56.30 56.94 1nub h ASN 185 Cb 0.06 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 38.95 1nub h ASN 185 CO -0.03 0.63 0.21 -0.08 -1.29 0.00 0.00 177.43 176.87 1nub h GLU 186 N 0.22 0.40 -0.71 6.67 4.57 -0.85 0.27 114.58 125.15 1nub h GLU 186 Ca 0.07 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1nub h GLU 186 Cb 0.41 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1nub h GLU 186 CO 0.01 0.26 0.47 0.87 -1.18 0.00 0.00 179.01 179.45 1nub h LYS 187 N 0.41 0.71 -0.39 1.92 1.57 -1.31 -0.45 116.57 119.04 1nub h LYS 187 Ca 0.20 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1nub h LYS 187 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1nub h LYS 187 CO -0.16 0.47 -0.37 -0.09 -0.57 0.00 0.00 179.45 178.74 1nub h ARG 188 N 0.74 0.94 0.00 3.15 2.43 -0.81 -2.46 114.38 118.36 1nub h ARG 188 Ca 0.31 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1nub h ARG 188 Cb 0.27 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1nub h ARG 188 CO -0.10 1.14 0.00 -0.07 -1.51 0.00 0.00 179.97 179.43 1nub h LEU 189 N 0.77 0.00 -1.20 3.80 3.38 0.64 0.15 115.31 122.85 1nub h LEU 189 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nub h LEU 189 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1nub h LEU 189 CO 0.09 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.00 1nub n GLU 190 N -3.01 1.78 0.00 1.13 1.02 -0.81 -4.47 120.64 116.28 1nub n GLU 190 Ca -0.01 -1.18 0.00 0.00 -0.02 0.00 0.00 57.16 55.94 1nub n GLU 190 Cb 0.16 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1nub n GLU 190 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nub n ALA 191 N 0.42 0.00 -2.68 0.62 0.00 -0.25 -5.09 120.51 113.53 1nub n ALA 191 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 1nub n ALA 191 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 1nub n ALA 191 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nub s GLY 192 N 0.00 2.24 0.21 0.00 0.00 0.38 -4.96 107.32 105.18 1nub s GLY 192 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.66 1nub s GLY 192 CO 0.00 1.50 1.23 1.22 0.00 0.00 0.00 173.10 177.05 1nub n ASP 193 N 4.83 -0.36 -3.94 1.64 9.92 -1.26 -3.78 116.55 123.60 1nub n ASP 193 Ca 0.02 1.36 -0.30 0.00 -0.53 0.00 0.00 54.79 55.35 1nub n ASP 193 Cb 0.50 -0.38 -0.16 0.00 -0.64 0.00 0.00 41.12 40.44 1nub n ASP 193 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1nub s HIS 194 N -5.91 2.31 0.51 1.24 3.76 -1.26 -5.12 115.29 110.82 1nub s HIS 194 Ca -0.12 -1.64 -0.23 0.00 -0.15 0.00 0.00 55.06 52.92 1nub s HIS 194 Cb 0.20 -1.56 -0.06 0.00 1.11 0.00 0.00 32.58 32.26 1nub s HIS 194 CO 0.60 -0.75 1.31 -2.30 -0.85 0.00 0.00 174.74 172.74 1nub n PRO 195 N 4.70 1.74 -4.23 8.40 -0.02 -1.25 -5.02 135.00 139.31 1nub n PRO 195 Ca -0.12 0.63 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 1nub n PRO 195 Cb 0.45 -2.49 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 1nub n PRO 195 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1nub s GLU 204 N -2.66 2.36 -0.24 -0.52 2.02 -1.26 -5.10 118.70 113.31 1nub s GLU 204 Ca 0.68 -1.43 -0.21 0.00 0.02 0.00 0.00 54.97 54.04 1nub s GLU 204 Cb -0.44 -2.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.58 1nub s GLU 204 CO 0.52 0.30 0.64 0.15 0.02 0.00 0.00 175.26 176.89 1nub s LYS 205 N -3.73 4.14 -0.40 1.61 3.01 -1.26 -5.03 119.74 118.09 1nub s LYS 205 Ca 0.33 0.59 0.02 0.00 -1.01 0.00 0.00 55.97 55.89 1nub s LYS 205 Cb -0.05 -3.63 0.12 0.00 -1.01 0.00 0.00 37.83 33.26 1nub s LYS 205 CO 0.21 -0.36 0.19 1.21 0.51 0.00 0.00 175.35 177.11 1nub s ASN 206 N 1.38 3.83 0.40 2.83 3.04 -1.26 -4.93 114.94 120.24 1nub s ASN 206 Ca 0.27 -2.35 0.13 0.00 0.04 0.00 0.00 52.86 50.95 1nub s ASN 206 Cb -0.16 -1.04 0.83 0.00 -1.54 0.00 0.00 41.25 39.34 1nub s ASN 206 CO 0.09 -0.31 1.90 0.22 -3.04 0.00 0.00 177.10 175.96 1nub h TYR 207 N 7.13 0.05 -0.90 0.43 5.03 -2.02 -2.84 116.97 123.84 1nub h TYR 207 Ca -0.05 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.34 1nub h TYR 207 Cb 0.95 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 39.16 1nub h TYR 207 CO 0.45 0.30 0.58 -0.91 -1.32 0.00 0.00 178.16 177.27 1nub h ASN 208 N 0.04 0.85 0.00 -2.11 2.35 -2.01 0.09 115.58 114.79 1nub h ASN 208 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1nub h ASN 208 Cb 0.49 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1nub h ASN 208 CO 0.04 0.52 0.00 0.23 -1.65 0.00 0.00 177.43 176.57 1nub n MET 209 N -4.51 0.35 -0.07 0.81 2.81 -1.07 -1.56 117.12 113.87 1nub n MET 209 Ca 0.14 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.98 1nub n MET 209 Cb 0.26 -1.37 -0.13 0.00 -0.71 0.00 0.00 33.22 31.27 1nub n MET 209 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1nub n TYR 210 N -0.87 0.00 -0.09 2.03 4.01 0.02 -4.55 117.16 117.71 1nub n TYR 210 Ca 0.06 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.68 1nub n TYR 210 Cb 0.03 -0.75 -0.07 0.00 -0.31 0.00 0.00 39.34 38.24 1nub n TYR 210 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1nub h ILE 211 N 0.00 0.06 -0.12 -0.72 2.04 -1.33 -1.43 117.51 116.01 1nub h ILE 211 Ca -0.37 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 1nub h ILE 211 Cb 1.81 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1nub h ILE 211 CO 0.02 0.00 -0.02 0.15 0.00 0.00 0.00 178.15 178.30 1nub h PHE 212 N -0.42 0.26 -0.80 1.37 3.57 -1.83 -1.85 116.94 117.24 1nub h PHE 212 Ca 0.09 -0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.70 1nub h PHE 212 Cb 0.62 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.19 1nub h PHE 212 CO -0.63 0.50 0.33 -1.35 -2.23 0.00 0.00 178.31 174.94 1nub h PRO 213 N -0.06 0.44 -0.62 6.41 0.11 -1.76 0.42 132.00 136.94 1nub h PRO 213 Ca 0.03 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1nub h PRO 213 Cb 0.41 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1nub h PRO 213 CO 0.01 0.29 0.16 0.28 -0.21 0.00 0.00 178.00 178.53 1nub h VAL 214 N 0.45 1.25 -0.22 3.15 2.07 -1.14 -1.11 116.25 120.70 1nub h VAL 214 Ca 0.45 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1nub h VAL 214 Cb 0.73 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1nub h VAL 214 CO -0.43 0.34 -0.15 0.45 0.02 0.00 0.00 177.57 177.79 1nub h HIS 215 N 0.90 0.59 -0.00 1.57 3.86 -0.34 -3.00 115.15 118.72 1nub h HIS 215 Ca 0.20 -0.16 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1nub h HIS 215 Cb 0.34 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.63 1nub h HIS 215 CO 0.02 0.81 -0.46 2.35 0.86 0.00 0.00 177.93 181.51 1nub h TRP 216 N 0.20 -1.34 -0.93 2.45 7.01 -0.06 -1.96 115.95 121.31 1nub h TRP 216 Ca 0.04 0.04 0.23 0.00 2.11 0.00 0.00 58.89 61.32 1nub h TRP 216 Cb 0.68 0.59 -0.13 0.00 -2.10 0.00 0.00 29.16 28.20 1nub h TRP 216 CO 0.07 -0.49 0.45 0.37 -2.79 0.00 0.00 178.44 176.05 1nub h GLN 217 N -0.57 0.42 0.12 2.65 5.75 -1.23 -0.42 115.11 121.83 1nub h GLN 217 Ca 0.01 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1nub h GLN 217 Cb 0.61 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 1nub h GLN 217 CO -0.31 0.28 -0.11 0.35 -2.65 0.00 0.00 178.83 176.39 1nub h PHE 218 N 0.44 -0.29 -0.90 3.99 3.57 -1.22 -1.57 116.94 120.96 1nub h PHE 218 Ca 0.59 0.00 0.03 0.00 3.53 0.00 0.00 57.97 62.12 1nub h PHE 218 Cb 1.14 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.94 1nub h PHE 218 CO -0.10 -0.17 0.59 0.78 -2.23 0.00 0.00 178.31 177.18 1nub h GLY 219 N -0.25 1.29 0.99 2.40 0.00 -0.71 0.88 103.07 107.68 1nub h GLY 219 Ca 0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1nub h GLY 219 CO -0.03 0.41 0.28 1.46 0.00 0.00 0.00 176.54 178.66 1nub h GLN 220 N 1.16 0.61 -0.18 4.80 1.08 -0.79 -3.16 115.11 118.64 1nub h GLN 220 Ca 0.35 -0.05 -0.21 0.00 -1.45 0.00 0.00 58.65 57.29 1nub h GLN 220 Cb -0.03 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1nub h GLN 220 CO -0.10 0.44 -0.69 -0.07 -0.95 0.00 0.00 178.83 177.46 1nub h LEU 221 N 0.61 0.92 -7.81 1.46 3.38 -0.61 -3.39 115.31 109.85 1nub h LEU 221 Ca 0.16 -0.61 -0.30 0.00 0.09 0.00 0.00 57.88 57.23 1nub h LEU 221 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1nub h LEU 221 CO -0.03 1.37 0.96 -0.67 0.09 0.00 0.00 178.44 180.16 1nub n ASP 222 N -3.99 2.54 0.00 -0.43 2.03 0.24 -4.37 116.55 112.57 1nub n ASP 222 Ca -0.07 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.60 1nub n ASP 222 Cb 0.70 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1nub n ASP 222 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nub n GLN 223 N 8.11 0.00 -3.65 -0.67 1.13 -1.26 -4.30 117.38 116.73 1nub n GLN 223 Ca 0.45 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 55.14 1nub n GLN 223 Cb 0.46 -0.56 -0.07 0.00 0.11 0.00 0.00 30.24 30.17 1nub n GLN 223 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1nub s HIS 224 N -1.95 3.75 0.32 1.08 0.09 -1.26 -1.39 115.29 115.92 1nub s HIS 224 Ca 0.00 -2.91 0.07 0.00 -0.00 0.00 0.00 55.06 52.22 1nub s HIS 224 Cb 0.00 -3.25 -0.02 0.00 -0.00 0.00 0.00 32.58 29.31 1nub s HIS 224 CO 0.00 -0.77 0.36 -1.25 -0.00 0.00 0.00 174.74 173.08 1nub s PRO 225 N -0.95 2.98 -0.73 8.40 0.04 -1.26 -4.88 135.00 138.60 1nub s PRO 225 Ca 0.24 -1.10 -0.26 0.00 0.04 0.00 0.00 61.00 59.92 1nub s PRO 225 Cb -0.11 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.74 1nub s PRO 225 CO -0.10 0.15 1.84 0.42 0.04 0.00 0.00 177.00 179.36 1nub s ILE 226 N -2.20 3.43 0.00 0.56 1.01 -0.49 -4.58 121.20 118.93 1nub s ILE 226 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1nub s ILE 226 Cb -0.08 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1nub s ILE 226 CO 0.28 -1.02 0.00 -0.90 0.00 0.00 0.00 174.94 173.31 1nub n ASP 227 N 12.82 0.01 0.00 3.58 5.75 -1.26 -5.02 116.55 132.42 1nub n ASP 227 Ca 0.26 -0.25 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1nub n ASP 227 Cb 0.50 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 1nub n ASP 227 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nub n GLY 228 N 0.48 0.73 3.17 6.12 0.00 -1.26 -5.08 105.19 109.36 1nub n GLY 228 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1nub n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nub s TYR 229 N -2.00 1.12 -0.18 1.61 1.51 -1.26 -3.52 117.35 114.63 1nub s TYR 229 Ca 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.47 1nub s TYR 229 Cb 0.00 -0.62 -0.01 0.00 -0.11 0.00 0.00 41.96 41.22 1nub s TYR 229 CO 0.00 0.03 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.87 1nub s LEU 230 N -2.17 2.79 0.58 -1.29 1.43 -0.20 -4.80 118.68 115.02 1nub s LEU 230 Ca 0.03 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1nub s LEU 230 Cb -0.06 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.52 1nub s LEU 230 CO 0.01 0.06 0.83 -0.94 0.23 0.00 0.00 176.35 176.55 1nub s SER 231 N 0.96 5.27 0.44 2.29 1.04 -1.26 -1.67 113.70 120.77 1nub s SER 231 Ca -0.01 0.23 0.18 0.00 0.48 0.00 0.00 55.95 56.83 1nub s SER 231 Cb -0.15 -1.12 1.12 0.00 0.10 0.00 0.00 66.02 65.97 1nub s SER 231 CO -0.00 -1.18 1.90 -0.74 0.98 0.00 0.00 173.24 174.19 1nub h HIS 232 N -0.08 0.44 -0.20 5.02 2.76 -1.92 -0.32 115.15 120.85 1nub h HIS 232 Ca -0.44 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 57.69 1nub h HIS 232 Cb 1.29 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 1nub h HIS 232 CO 0.38 0.14 -0.10 1.15 -1.30 0.00 0.00 177.93 178.20 1nub h THR 233 N 0.35 1.31 0.00 6.26 2.02 -1.92 -3.10 112.91 117.83 1nub h THR 233 Ca 0.41 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 1nub h THR 233 Cb 1.06 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1nub h THR 233 CO -0.13 0.36 -0.08 -0.33 0.37 0.00 0.00 175.52 175.70 1nub h GLU 234 N 0.12 0.00 -0.01 6.66 5.08 -1.39 -1.05 114.58 123.99 1nub h GLU 234 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1nub h GLU 234 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nub h GLU 234 CO 0.03 0.08 -0.11 1.28 -1.00 0.00 0.00 179.01 179.30 1nub n LEU 235 N -3.49 0.74 -0.29 1.33 4.77 -0.80 -4.17 117.00 115.08 1nub n LEU 235 Ca -0.02 -0.15 0.10 0.00 -0.03 0.00 0.00 56.01 55.91 1nub n LEU 235 Cb 0.22 -0.11 0.26 0.00 -2.33 0.00 0.00 43.42 41.46 1nub n LEU 235 CO 0.28 0.13 1.04 0.00 -1.33 0.00 0.00 177.39 177.52 1nub h ALA 236 N 3.82 1.31 -0.35 -1.18 0.00 -1.17 0.98 119.26 122.66 1nub h ALA 236 Ca 0.00 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1nub h ALA 236 Cb 0.38 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1nub h ALA 236 CO 0.00 -0.27 0.25 -1.35 0.00 0.00 0.00 179.25 177.88 1nub h PRO 237 N 0.44 0.06 0.00 0.00 0.11 -1.80 0.18 132.00 130.99 1nub h PRO 237 Ca 0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1nub h PRO 237 Cb 0.89 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1nub h PRO 237 CO -0.48 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 178.63 1nub n LEU 238 N -4.45 0.00 -1.14 2.35 4.77 0.34 -3.00 117.00 115.87 1nub n LEU 238 Ca 0.05 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1nub n LEU 238 Cb 0.38 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.74 1nub n LEU 238 CO 0.35 0.00 0.73 0.54 -1.33 0.00 0.00 177.39 177.68 1nub n ARG 239 N -0.94 2.78 -2.31 3.23 1.74 0.05 -4.72 116.66 116.50 1nub n ARG 239 Ca 0.20 -2.48 -0.33 0.00 -0.77 0.00 0.00 57.85 54.47 1nub n ARG 239 Cb 0.09 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 1nub n ARG 239 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nub s ALA 240 N -1.00 2.85 0.60 7.54 0.00 -1.16 -4.85 121.76 125.74 1nub s ALA 240 Ca 0.41 0.43 0.29 0.00 0.00 0.00 0.00 51.96 53.09 1nub s ALA 240 Cb 0.21 -3.22 1.49 0.00 0.00 0.00 0.00 23.12 21.61 1nub s ALA 240 CO 0.28 -0.50 1.90 -1.35 0.00 0.00 0.00 175.76 176.09 1nub h PRO 241 N 0.97 0.00 -0.05 0.00 0.11 -1.94 -1.28 132.00 129.81 1nub h PRO 241 Ca -0.48 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 1nub h PRO 241 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1nub h PRO 241 CO 0.59 0.00 -0.78 1.25 -0.21 0.00 0.00 178.00 178.85 1nub h LEU 242 N 0.00 0.43 -9.90 2.35 5.85 -1.96 -3.45 115.31 108.63 1nub h LEU 242 Ca 0.17 -0.30 -0.54 0.00 0.84 0.00 0.00 57.88 58.06 1nub h LEU 242 Cb 1.08 -0.13 0.10 0.00 0.37 0.00 0.00 40.66 42.08 1nub h LEU 242 CO -0.00 1.05 0.79 -0.63 -0.34 0.00 0.00 178.44 179.31 1nub s ILE 243 N -3.50 2.11 -0.12 4.05 1.09 -0.49 -4.93 121.20 119.42 1nub s ILE 243 Ca -0.05 0.11 -0.30 0.00 -1.10 0.00 0.00 60.65 59.32 1nub s ILE 243 Cb 0.10 -3.07 -0.02 0.00 -1.06 0.00 0.00 42.46 38.42 1nub s ILE 243 CO 0.84 0.02 1.14 -2.16 -0.10 0.00 0.00 174.94 174.68 1nub s PRO 244 N -1.68 4.33 -1.21 2.79 0.04 -1.26 -3.36 135.00 134.65 1nub s PRO 244 Ca 0.55 1.55 -0.03 0.00 0.04 0.00 0.00 61.00 63.10 1nub s PRO 244 Cb -0.46 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1nub s PRO 244 CO 0.59 -0.50 1.03 -1.33 0.04 0.00 0.00 177.00 176.83 1nub n MET 245 N 5.61 -6.86 0.16 4.56 2.81 -1.26 -4.84 117.12 117.31 1nub n MET 245 Ca 0.11 0.80 0.14 0.00 -1.81 0.00 0.00 57.70 56.94 1nub n MET 245 Cb 0.47 -5.72 0.69 0.00 -0.71 0.00 0.00 33.22 27.94 1nub n MET 245 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1nub h GLU 246 N -2.13 0.00 0.00 0.03 9.09 -1.84 0.05 114.58 119.79 1nub h GLU 246 Ca -0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.86 1nub h GLU 246 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 1nub h GLU 246 CO 0.50 0.00 0.00 -2.39 0.05 0.00 0.00 179.01 177.17 1nub n HIS 247 N -4.37 0.38 1.12 2.06 1.44 -1.26 -1.19 115.22 113.41 1nub n HIS 247 Ca 0.02 0.18 0.12 0.00 -2.01 0.00 0.00 57.72 56.03 1nub n HIS 247 Cb 0.31 -0.79 0.18 0.00 0.12 0.00 0.00 29.99 29.81 1nub n HIS 247 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nub h THR 249 N 2.07 0.37 -0.22 0.00 2.02 -1.27 0.29 112.91 116.17 1nub h THR 249 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1nub h THR 249 Cb 0.66 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1nub h THR 249 CO 0.00 0.00 0.05 0.74 0.37 0.00 0.00 175.52 176.68 1nub h THR 250 N -0.41 1.22 0.10 3.16 2.02 -1.80 0.69 112.91 117.89 1nub h THR 250 Ca 0.07 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1nub h THR 250 Cb 0.51 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1nub h THR 250 CO -0.26 0.22 -0.08 -0.09 0.37 0.00 0.00 175.52 175.68 1nub h ARG 251 N 0.18 -0.19 0.51 6.66 2.43 -1.80 -0.41 114.38 121.76 1nub h ARG 251 Ca 0.07 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1nub h ARG 251 Cb 0.29 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1nub h ARG 251 CO 0.00 -0.12 -0.45 0.35 -1.51 0.00 0.00 179.97 178.24 1nub h PHE 252 N -0.19 -1.21 -0.34 2.20 3.57 -0.32 -1.33 116.94 119.32 1nub h PHE 252 Ca -0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1nub h PHE 252 Cb 0.18 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1nub h PHE 252 CO -0.10 -0.62 0.23 0.74 -2.23 0.00 0.00 178.31 176.33 1nub h PHE 253 N -0.95 0.27 -0.30 0.41 0.04 -0.77 0.29 116.94 115.93 1nub h PHE 253 Ca -0.06 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1nub h PHE 253 Cb 0.82 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1nub h PHE 253 CO -0.20 0.15 0.20 0.93 -0.60 0.00 0.00 178.31 178.79 1nub h GLU 254 N 0.27 0.40 -0.74 1.51 5.08 -0.55 0.30 114.58 120.85 1nub h GLU 254 Ca 0.14 -0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.67 1nub h GLU 254 Cb 0.23 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1nub h GLU 254 CO -0.03 0.27 0.52 1.15 -1.00 0.00 0.00 179.01 179.92 1nub h THR 255 N 0.40 0.68 0.00 1.13 2.02 0.66 0.37 112.91 118.18 1nub h THR 255 Ca 0.11 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 1nub h THR 255 Cb -0.04 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1nub h THR 255 CO -0.02 0.03 -0.64 0.00 0.37 0.00 0.00 175.52 175.25 1nub n ASP 257 N -3.20 2.30 -0.00 0.00 2.03 0.12 -4.82 116.55 112.98 1nub n ASP 257 Ca 0.01 -2.64 -0.06 0.00 0.52 0.00 0.00 54.79 52.62 1nub n ASP 257 Cb 0.76 -1.17 -0.04 0.00 -0.72 0.00 0.00 41.12 39.95 1nub n ASP 257 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1nub h LEU 258 N 15.86 -0.68 0.00 -2.67 3.38 -1.82 -2.06 115.31 127.33 1nub h LEU 258 Ca 0.33 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1nub h LEU 258 Cb 0.75 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1nub h LEU 258 CO 1.77 -0.19 0.00 -0.90 0.09 0.00 0.00 178.44 179.21 1nub n ASP 259 N -3.69 0.00 -3.55 -0.43 5.68 -1.26 -4.90 116.55 108.40 1nub n ASP 259 Ca -0.02 -0.47 -0.20 0.00 -0.50 0.00 0.00 54.79 53.59 1nub n ASP 259 Cb 0.15 -0.08 0.07 0.00 -1.14 0.00 0.00 41.12 40.12 1nub n ASP 259 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1nub n ASN 260 N -1.08 -3.19 -1.04 -1.12 5.15 -0.78 -4.91 115.26 108.29 1nub n ASN 260 Ca 0.14 -0.64 0.12 0.00 -0.60 0.00 0.00 54.58 53.59 1nub n ASN 260 Cb 0.09 -4.84 0.15 0.00 -0.53 0.00 0.00 39.78 34.65 1nub n ASN 260 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1nub n ASP 261 N -3.07 3.20 -0.30 1.20 5.75 -1.26 -4.95 116.55 117.12 1nub n ASP 261 Ca -0.19 -1.99 -0.04 0.00 -0.01 0.00 0.00 54.79 52.55 1nub n ASP 261 Cb 0.63 -0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 1nub n ASP 261 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nub n LYS 262 N 1.41 -0.35 -4.40 0.11 4.76 -1.26 -5.03 118.16 113.41 1nub n LYS 262 Ca 0.16 0.58 -0.19 0.00 -2.87 0.00 0.00 58.31 55.99 1nub n LYS 262 Cb 0.60 -4.22 -0.14 0.00 -1.84 0.00 0.00 35.03 29.43 1nub n LYS 262 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1nub s TYR 263 N -2.11 0.91 -0.35 2.13 1.51 -1.26 -4.41 117.35 113.76 1nub s TYR 263 Ca 0.00 -0.20 -0.13 0.00 -1.01 0.00 0.00 57.07 55.73 1nub s TYR 263 Cb 0.00 -0.58 -0.01 0.00 -0.11 0.00 0.00 41.96 41.26 1nub s TYR 263 CO 0.00 -0.01 0.25 0.42 -1.11 0.00 0.00 175.55 175.10 1nub s ILE 264 N -0.33 5.28 0.54 2.71 -1.09 -0.67 -4.82 121.20 122.81 1nub s ILE 264 Ca 0.03 -0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.12 1nub s ILE 264 Cb -0.04 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1nub s ILE 264 CO -0.00 -0.05 0.87 0.00 -1.23 0.00 0.00 174.94 174.53 1nub s ALA 265 N 1.73 3.30 0.24 9.38 0.00 -1.26 -1.03 121.76 134.12 1nub s ALA 265 Ca 0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 1nub s ALA 265 Cb -0.18 -2.71 0.44 0.00 0.00 0.00 0.00 23.12 20.67 1nub s ALA 265 CO 0.11 -0.54 1.68 1.25 0.00 0.00 0.00 175.76 178.26 1nub h LEU 266 N 0.00 -0.05 -1.15 0.00 5.85 -1.98 0.25 115.31 118.23 1nub h LEU 266 Ca -0.46 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 1nub h LEU 266 Cb 1.21 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1nub h LEU 266 CO 0.62 -0.06 -0.15 -2.24 -0.34 0.00 0.00 178.44 176.26 1nub h ASP 267 N 0.23 0.40 -0.25 1.25 3.04 -1.94 0.24 116.42 119.39 1nub h ASP 267 Ca 0.40 -0.10 -0.08 0.00 -3.24 0.00 0.00 57.03 54.01 1nub h ASP 267 Cb 0.68 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 38.86 1nub h ASP 267 CO -0.52 0.58 -0.15 -0.33 -2.04 0.00 0.00 179.24 176.77 1nub h GLU 268 N 0.38 0.54 0.67 4.15 5.08 -1.30 0.26 114.58 124.36 1nub h GLU 268 Ca 0.07 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1nub h GLU 268 Cb 0.50 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1nub h GLU 268 CO 0.03 0.82 -0.32 2.35 -1.00 0.00 0.00 179.01 180.89 1nub h TRP 269 N 0.26 -0.83 0.01 4.33 2.91 -0.28 -1.21 115.95 121.14 1nub h TRP 269 Ca 0.05 -0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.08 1nub h TRP 269 Cb 0.67 0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 29.56 1nub h TRP 269 CO 0.07 -0.49 -0.24 0.00 -1.03 0.00 0.00 178.44 176.75 1nub h ALA 270 N -0.76 -0.33 -0.55 2.65 0.00 -0.57 -2.28 119.26 117.41 1nub h ALA 270 Ca -0.09 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1nub h ALA 270 Cb 0.72 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1nub h ALA 270 CO 0.15 -0.75 0.05 0.78 0.00 0.00 0.00 179.25 179.48 1nub h GLY 271 N -0.39 0.62 1.83 0.00 0.00 -0.94 0.39 103.07 104.59 1nub h GLY 271 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1nub h GLY 271 CO -0.21 -0.14 0.08 0.00 0.00 0.00 0.00 176.54 176.27 1nub n PHE 273 N -3.26 0.18 -1.02 0.00 3.72 0.08 -4.87 117.46 112.29 1nub n PHE 273 Ca -0.02 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1nub n PHE 273 Cb 0.15 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1nub n PHE 273 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nub n GLY 274 N 1.28 0.65 3.72 1.37 0.00 0.27 -4.99 105.19 107.49 1nub n GLY 274 Ca 0.15 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1nub n GLY 274 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nub s ILE 275 N -2.00 5.05 0.56 -0.61 -1.09 -0.96 -5.01 121.20 117.14 1nub s ILE 275 Ca 0.00 1.33 -0.20 0.00 -2.23 0.00 0.00 60.65 59.55 1nub s ILE 275 Cb 0.00 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1nub s ILE 275 CO 0.00 0.29 1.27 -0.54 -1.23 0.00 0.00 174.94 174.73 1nub s LYS 276 N 0.61 3.10 0.59 2.79 1.02 -1.26 -4.28 119.74 122.31 1nub s LYS 276 Ca 0.35 2.01 0.32 0.00 0.02 0.00 0.00 55.97 58.67 1nub s LYS 276 Cb -0.17 -2.12 1.83 0.00 -0.52 0.00 0.00 37.83 36.85 1nub s LYS 276 CO 0.17 -1.16 2.22 1.96 -0.92 0.00 0.00 175.35 177.62 1nub h GLN 277 N 1.24 0.00 -0.13 1.68 4.20 -1.97 -0.51 115.11 119.62 1nub h GLN 277 Ca -0.51 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.08 1nub h GLN 277 Cb 1.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 1nub h GLN 277 CO 0.56 0.04 -0.44 -0.22 -0.67 0.00 0.00 178.83 178.09 1nub h LYS 278 N 0.00 0.31 -0.48 1.46 3.64 -2.03 -3.02 116.57 116.45 1nub h LYS 278 Ca -0.00 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1nub h LYS 278 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1nub h LYS 278 CO 0.00 0.70 0.00 -0.25 -2.27 0.00 0.00 179.45 177.64 1nub n ASP 279 N -4.00 2.49 -4.52 4.20 8.00 -0.21 -4.80 116.55 117.72 1nub n ASP 279 Ca -0.02 -2.09 -0.43 0.00 0.71 0.00 0.00 54.79 52.96 1nub n ASP 279 Cb 0.51 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 1nub n ASP 279 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nub s ILE 280 N -1.53 4.61 -0.11 0.53 1.01 -1.14 -4.92 121.20 119.64 1nub s ILE 280 Ca 0.29 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1nub s ILE 280 Cb 0.16 -4.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1nub s ILE 280 CO 0.17 -0.85 -0.16 -0.62 0.00 0.00 0.00 174.94 173.49 1nub s ASP 281 N 2.42 3.82 0.18 3.58 -1.08 -1.26 -5.01 116.67 119.32 1nub s ASP 281 Ca 0.28 -0.35 0.16 0.00 -0.52 0.00 0.00 52.55 52.12 1nub s ASP 281 Cb -0.13 -1.41 -0.03 0.00 -1.46 0.00 0.00 42.92 39.89 1nub s ASP 281 CO 0.20 0.20 1.13 0.50 0.52 0.00 0.00 175.17 177.72 1nub h LYS 282 N 6.44 0.00 -0.71 4.34 3.64 -2.01 -3.30 116.57 124.96 1nub h LYS 282 Ca -0.28 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.17 1nub h LYS 282 Cb 1.20 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1nub h LYS 282 CO 0.53 0.36 0.47 -0.44 -2.27 0.00 0.00 179.45 178.10 1nub h ASP 283 N 0.00 0.61 0.34 4.20 3.32 -1.97 0.97 116.42 123.89 1nub h ASP 283 Ca -0.08 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1nub h ASP 283 Cb 1.44 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1nub h ASP 283 CO 0.05 0.39 0.00 0.18 -1.72 0.00 0.00 179.24 178.14 1nub n LEU 284 N -4.48 0.00 -0.28 1.55 4.77 -1.24 -1.54 117.00 115.77 1nub n LEU 284 Ca 0.11 0.48 0.07 0.00 -0.03 0.00 0.00 56.01 56.64 1nub n LEU 284 Cb 0.27 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1nub n LEU 284 CO 0.33 -0.31 0.20 0.52 -1.33 0.00 0.00 177.39 176.80 1nub n VAL 285 N -1.48 0.00 0.72 4.08 0.31 0.32 -4.28 118.33 118.00 1nub n VAL 285 Ca 0.03 -0.31 0.06 0.00 -0.01 0.00 0.00 64.34 64.11 1nub n VAL 285 Cb 0.12 1.14 0.34 0.00 -0.91 0.00 0.00 33.84 34.53 1nub n VAL 285 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13