#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jht n MET 66 N 0.00 0.00 -1.57 0.00 1.56 -1.26 -5.08 117.12 110.78 2jht n MET 66 Ca 0.00 0.00 -0.49 0.00 -0.27 0.00 0.00 57.70 56.94 2jht n MET 66 Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 2jht n MET 66 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 2jht n VAL 67 N 0.00 0.89 -2.25 1.12 0.24 -1.26 -4.87 118.33 112.20 2jht n VAL 67 Ca 0.00 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 61.70 2jht n VAL 67 Cb 0.00 -0.76 -0.01 0.00 -1.47 0.00 0.00 33.84 31.60 2jht n VAL 67 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2jht s PRO 68 N -0.38 3.87 0.08 7.34 0.04 -1.26 -4.97 135.00 139.72 2jht s PRO 68 Ca 0.74 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 63.46 2jht s PRO 68 Cb -0.88 -2.53 -0.14 0.00 0.04 0.00 0.00 34.50 31.00 2jht s PRO 68 CO 0.53 -0.47 1.32 -0.97 0.04 0.00 0.00 177.00 177.45 2jht h ASN 69 N 2.30 0.79 -3.17 6.66 -1.24 -1.95 -3.42 115.58 115.54 2jht h ASN 69 Ca -0.49 -0.58 -0.66 0.00 0.71 0.00 0.00 56.30 55.28 2jht h ASN 69 Cb 1.24 -0.23 -0.34 0.00 0.73 0.00 0.00 38.32 39.72 2jht h ASN 69 CO 0.61 1.23 -0.86 -0.69 -1.29 0.00 0.00 177.43 176.42 2jht s VAL 70 N -3.94 2.00 -0.34 2.57 1.01 -1.26 0.20 120.40 120.63 2jht s VAL 70 Ca -0.12 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 2jht s VAL 70 Cb 0.08 -1.78 0.07 0.00 0.00 0.00 0.00 36.38 34.75 2jht s VAL 70 CO 0.86 0.54 0.08 -0.69 0.00 0.00 0.00 175.10 175.88 2jht s VAL 71 N 0.96 3.14 -0.15 2.92 1.01 -0.73 -4.89 120.40 122.65 2jht s VAL 71 Ca -0.04 -1.62 -0.28 0.00 0.00 0.00 0.00 61.98 60.04 2jht s VAL 71 Cb -0.15 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2jht s VAL 71 CO -0.05 -0.33 0.95 -0.69 0.00 0.00 0.00 175.10 174.99 2jht s VAL 72 N 1.22 4.80 -0.11 2.92 1.01 -1.26 -0.33 120.40 128.65 2jht s VAL 72 Ca 0.00 1.90 0.04 0.00 0.00 0.00 0.00 61.98 63.92 2jht s VAL 72 Cb -0.21 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 2jht s VAL 72 CO -0.02 -0.02 0.12 0.35 0.00 0.00 0.00 175.10 175.53 2jht n THR 73 N 4.76 0.00 -3.51 3.92 -2.24 0.62 -4.48 114.28 113.34 2jht n THR 73 Ca 0.08 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 2jht n THR 73 Cb 0.48 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 2jht n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jht s GLY 74 N -1.73 -0.53 -0.03 3.38 0.00 -1.09 -1.37 107.32 105.95 2jht s GLY 74 Ca 0.00 1.29 0.06 0.00 0.00 0.00 0.00 44.72 46.08 2jht s GLY 74 CO 0.15 0.81 -0.23 -2.27 0.00 0.00 0.00 173.10 171.57 2jht s LEU 75 N -1.49 2.03 -0.03 0.66 0.20 -0.81 -1.05 118.68 118.20 2jht s LEU 75 Ca -0.07 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.34 2jht s LEU 75 Cb -0.00 -1.20 0.01 0.00 -0.43 0.00 0.00 46.19 44.57 2jht s LEU 75 CO 0.04 0.26 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.40 2jht s THR 76 N -0.37 0.60 -0.21 3.68 2.01 -0.29 -0.65 115.64 120.40 2jht s THR 76 Ca 0.04 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 2jht s THR 76 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 2jht s THR 76 CO 0.01 0.21 0.58 -0.76 -0.69 0.00 0.00 174.62 173.97 2jht s LEU 77 N 0.44 4.12 -0.42 4.42 1.43 -0.21 -0.47 118.68 128.00 2jht s LEU 77 Ca -0.06 0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 53.63 2jht s LEU 77 Cb -0.10 -2.80 0.05 0.00 0.03 0.00 0.00 46.19 43.37 2jht s LEU 77 CO 0.00 -0.26 0.30 -0.69 0.23 0.00 0.00 176.35 175.93 2jht s VAL 78 N 1.96 4.95 -0.23 -1.59 1.01 0.52 -4.47 120.40 122.54 2jht s VAL 78 Ca 0.26 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2jht s VAL 78 Cb -0.16 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.49 2jht s VAL 78 CO 0.10 -0.40 0.44 0.00 0.00 0.00 0.00 175.10 175.24 2jht h SER 80 N 8.15 0.00 -0.04 0.00 4.64 -1.95 -2.83 113.55 121.52 2jht h SER 80 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2jht h SER 80 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2jht h SER 80 CO 0.18 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.60 2jht n SER 81 N -2.70 2.77 -4.70 4.97 3.41 -1.26 -4.88 113.62 111.23 2jht n SER 81 Ca 0.02 -1.92 -0.42 0.00 -0.26 0.00 0.00 58.87 56.29 2jht n SER 81 Cb 0.30 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 2jht n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jht s ALA 82 N -1.98 3.68 0.33 7.33 0.00 -1.07 -4.92 121.76 125.13 2jht s ALA 82 Ca 0.30 1.19 0.24 0.00 0.00 0.00 0.00 51.96 53.68 2jht s ALA 82 Cb 0.20 -3.64 1.17 0.00 0.00 0.00 0.00 23.12 20.85 2jht s ALA 82 CO 0.31 -0.94 1.96 -1.00 0.00 0.00 0.00 175.76 176.08 2jht h PRO 83 N 7.72 0.00 -4.80 0.00 0.13 -1.90 -3.45 132.00 129.69 2jht h PRO 83 Ca -0.42 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.40 2jht h PRO 83 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 2jht h PRO 83 CO 0.91 0.20 -0.62 0.20 -0.23 0.00 0.00 178.00 178.46 2jht s GLY 84 N -4.24 1.59 0.43 1.56 0.00 -1.26 -5.14 107.32 100.26 2jht s GLY 84 Ca -0.02 -1.79 -0.25 0.00 0.00 0.00 0.00 44.72 42.66 2jht s GLY 84 CO 0.62 -1.54 1.34 -4.14 0.00 0.00 0.00 173.10 169.38 2jht s PRO 85 N -4.05 3.82 -0.43 2.90 0.02 -1.26 -5.00 135.00 131.00 2jht s PRO 85 Ca 0.36 2.22 0.03 0.00 0.02 0.00 0.00 61.00 63.63 2jht s PRO 85 Cb 0.07 -2.68 0.12 0.00 0.02 0.00 0.00 34.50 32.04 2jht s PRO 85 CO 0.12 -0.64 0.18 -0.51 -0.33 0.00 0.00 177.00 175.81 2jht s LEU 86 N -2.62 3.89 0.01 -5.54 1.43 -1.26 -5.09 118.68 109.50 2jht s LEU 86 Ca 0.59 -2.53 0.00 0.00 -1.03 0.00 0.00 54.13 51.16 2jht s LEU 86 Cb -0.39 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2jht s LEU 86 CO 0.50 -0.30 -0.02 -1.61 0.23 0.00 0.00 176.35 175.15 2jht s GLU 87 N 0.40 0.17 -0.10 1.70 2.02 -1.26 -1.04 118.70 120.58 2jht s GLU 87 Ca 0.15 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.84 2jht s GLU 87 Cb -0.23 0.05 -0.01 0.00 0.10 0.00 0.00 34.13 34.05 2jht s GLU 87 CO -0.05 -0.02 -0.21 -0.51 0.02 0.00 0.00 175.26 174.49 2jht s LEU 88 N -0.78 2.29 -0.36 1.80 1.43 0.18 -5.00 118.68 118.23 2jht s LEU 88 Ca -0.08 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.31 2jht s LEU 88 Cb -0.05 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2jht s LEU 88 CO -0.01 0.18 0.79 -0.62 0.23 0.00 0.00 176.35 176.92 2jht s ASP 89 N 0.25 6.56 0.00 2.29 -1.08 -1.26 -1.92 116.67 121.52 2jht s ASP 89 Ca -0.14 0.37 0.23 0.00 -0.52 0.00 0.00 52.55 52.48 2jht s ASP 89 Cb -0.17 -2.40 0.64 0.00 -1.46 0.00 0.00 42.92 39.53 2jht s ASP 89 CO 0.07 -0.74 1.50 0.18 0.52 0.00 0.00 175.17 176.70 2jht n LEU 90 N 6.44 2.29 0.03 -1.34 4.77 -0.47 -4.21 117.00 124.51 2jht n LEU 90 Ca 0.03 -0.92 0.13 0.00 -0.03 0.00 0.00 56.01 55.22 2jht n LEU 90 Cb 0.48 -0.12 0.34 0.00 -2.33 0.00 0.00 43.42 41.80 2jht n LEU 90 CO 0.54 0.46 0.61 0.35 -1.33 0.00 0.00 177.39 178.02 2jht n THR 91 N 0.74 0.18 -0.25 -5.08 -2.24 -1.25 -4.85 114.28 101.53 2jht n THR 91 Ca 0.17 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2jht n THR 91 Cb 0.44 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2jht n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jht n GLY 92 N 1.43 3.46 3.75 3.38 0.00 -1.26 -5.05 105.19 110.90 2jht n GLY 92 Ca 0.05 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2jht n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jht s ASP 93 N -0.05 6.55 -0.00 1.61 2.15 -1.26 -4.92 116.67 120.74 2jht s ASP 93 Ca 0.00 2.78 0.13 0.00 0.43 0.00 0.00 52.55 55.89 2jht s ASP 93 Cb 0.00 -2.63 -0.16 0.00 -0.30 0.00 0.00 42.92 39.83 2jht s ASP 93 CO 0.00 -0.77 0.48 0.18 -0.17 0.00 0.00 175.17 174.88 2jht n LEU 94 N 2.14 0.45 0.02 -1.34 4.77 -1.26 -4.54 117.00 117.24 2jht n LEU 94 Ca 0.07 -0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 55.64 2jht n LEU 94 Cb 0.39 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.68 2jht n LEU 94 CO 0.62 0.11 0.73 -0.33 -1.33 0.00 0.00 177.39 177.19 2jht h GLU 95 N 0.00 0.48 0.00 3.23 4.39 -1.95 -3.07 114.58 117.66 2jht h GLU 95 Ca 0.00 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 2jht h GLU 95 Cb 0.38 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2jht h GLU 95 CO 0.00 0.70 -0.09 0.77 -1.16 0.00 0.00 179.01 179.23 2jht h SER 96 N 0.42 0.00 0.03 1.42 0.02 -1.98 -2.62 113.55 110.85 2jht h SER 96 Ca 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2jht h SER 96 Cb 0.68 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 2jht h SER 96 CO 0.05 0.09 -0.02 -0.26 -1.14 0.00 0.00 176.83 175.55 2jht h PHE 97 N 0.00 0.00 -0.26 3.45 0.04 -1.82 -3.03 116.94 115.32 2jht h PHE 97 Ca -0.00 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.84 2jht h PHE 97 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2jht h PHE 97 CO 0.00 0.02 0.22 0.87 -0.60 0.00 0.00 178.31 178.82 2jht h LYS 98 N 0.00 0.00 -0.36 1.51 1.57 -1.64 -1.84 116.57 115.81 2jht h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jht h LYS 98 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2jht h LYS 98 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 2jht n LYS 99 N -4.14 2.97 -3.78 3.15 5.02 -1.14 -4.94 118.16 115.30 2jht n LYS 99 Ca 0.03 -2.38 -0.23 0.00 -2.02 0.00 0.00 58.31 53.71 2jht n LYS 99 Cb 0.37 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.84 2jht n LYS 99 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jht s GLN 100 N -1.62 2.38 -0.03 1.97 -0.21 -0.69 -5.15 119.66 116.30 2jht s GLN 100 Ca 0.32 -1.75 -0.22 0.00 0.02 0.00 0.00 55.36 53.73 2jht s GLN 100 Cb 0.21 -2.21 0.04 0.00 1.00 0.00 0.00 33.01 32.05 2jht s GLN 100 CO 0.15 -0.31 0.48 0.45 -2.12 0.00 0.00 175.29 173.93 2jht s SER 101 N -4.13 -0.40 -0.17 5.90 0.15 -1.26 -4.10 113.70 109.69 2jht s SER 101 Ca 0.43 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 57.32 2jht s SER 101 Cb -0.01 0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 64.66 2jht s SER 101 CO 0.25 -0.52 0.23 -0.36 1.20 0.00 0.00 173.24 174.04 2jht s PHE 102 N -1.28 3.46 0.07 3.44 0.08 -0.05 -4.91 117.98 118.80 2jht s PHE 102 Ca -0.12 0.51 -0.29 0.00 0.12 0.00 0.00 56.93 57.15 2jht s PHE 102 Cb -0.03 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.11 2jht s PHE 102 CO 0.07 0.29 0.91 0.08 -0.10 0.00 0.00 175.22 176.47 2jht s VAL 103 N 0.31 4.64 -0.02 -0.44 1.01 -1.26 -0.46 120.40 124.19 2jht s VAL 103 Ca 0.14 1.94 0.05 0.00 0.00 0.00 0.00 61.98 64.12 2jht s VAL 103 Cb -0.12 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 2jht s VAL 103 CO 0.02 0.30 -0.18 -0.76 0.00 0.00 0.00 175.10 174.48 2jht s LEU 104 N 0.21 2.03 0.25 3.92 1.43 0.03 -4.92 118.68 121.62 2jht s LEU 104 Ca 0.46 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 2jht s LEU 104 Cb -0.22 -0.93 -0.10 0.00 0.03 0.00 0.00 46.19 44.98 2jht s LEU 104 CO 0.27 0.22 1.35 -0.75 0.23 0.00 0.00 176.35 177.67 2jht s LYS 105 N -0.39 4.34 0.20 1.70 2.20 -1.26 -1.79 119.74 124.74 2jht s LYS 105 Ca 0.06 2.17 -0.32 0.00 -0.36 0.00 0.00 55.97 57.52 2jht s LYS 105 Cb -0.07 -3.14 -0.15 0.00 -1.51 0.00 0.00 37.83 32.97 2jht s LYS 105 CO -0.01 -0.29 1.32 -0.85 -0.36 0.00 0.00 175.35 175.17 2jht n GLU 106 N 2.08 1.65 -0.83 4.03 0.28 0.11 -1.97 120.64 126.00 2jht n GLU 106 Ca 0.05 0.59 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 2jht n GLU 106 Cb 0.42 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 31.09 2jht n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jht n GLY 107 N 2.22 1.28 3.79 -1.84 0.00 -0.91 -4.91 105.19 104.84 2jht n GLY 107 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2jht n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jht s VAL 108 N -3.75 3.65 -0.04 1.61 -7.23 -0.83 -4.42 120.40 109.38 2jht s VAL 108 Ca 0.00 0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 60.91 2jht s VAL 108 Cb 0.00 -3.35 -0.05 0.00 0.56 0.00 0.00 36.38 33.53 2jht s VAL 108 CO 0.00 -0.37 0.36 -1.61 -0.31 0.00 0.00 175.10 173.17 2jht s GLU 109 N -3.74 3.89 0.27 4.82 2.02 -1.26 -0.32 118.70 124.37 2jht s GLU 109 Ca 0.66 0.31 -0.11 0.00 0.02 0.00 0.00 54.97 55.85 2jht s GLU 109 Cb -0.18 -3.24 -0.00 0.00 0.10 0.00 0.00 34.13 30.81 2jht s GLU 109 CO 0.32 0.65 0.47 1.52 0.02 0.00 0.00 175.26 178.24 2jht s TYR 110 N -0.88 0.52 0.13 1.61 1.13 -0.15 -4.72 117.35 114.98 2jht s TYR 110 Ca 0.22 -0.86 0.02 0.00 -1.41 0.00 0.00 57.07 55.04 2jht s TYR 110 Cb -0.16 0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.79 2jht s TYR 110 CO 0.11 -1.02 -0.05 1.03 -2.51 0.00 0.00 175.55 173.10 2jht s ARG 111 N -3.79 0.98 -0.10 -3.49 3.00 -0.58 -0.29 118.95 114.68 2jht s ARG 111 Ca 0.24 -1.43 -0.00 0.00 0.00 0.00 0.00 55.73 54.55 2jht s ARG 111 Cb -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 34.95 34.59 2jht s ARG 111 CO 0.11 -0.03 -0.08 0.42 0.00 0.00 0.00 175.30 175.72 2jht s ILE 112 N -3.56 3.53 -0.15 1.52 1.01 -1.26 -0.36 121.20 121.93 2jht s ILE 112 Ca 0.17 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2jht s ILE 112 Cb 0.05 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 40.05 2jht s ILE 112 CO -0.01 0.55 -0.19 -0.75 0.00 0.00 0.00 174.94 174.54 2jht s LYS 113 N -0.22 3.07 -0.19 2.79 2.20 0.39 -1.52 119.74 126.25 2jht s LYS 113 Ca 0.02 -0.82 -0.05 0.00 -0.36 0.00 0.00 55.97 54.76 2jht s LYS 113 Cb -0.13 -2.52 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 2jht s LYS 113 CO 0.03 -0.05 0.01 0.42 -0.36 0.00 0.00 175.35 175.40 2jht s ILE 114 N 0.92 4.13 -0.09 5.43 -1.09 0.63 -1.14 121.20 129.99 2jht s ILE 114 Ca -0.04 -0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.09 2jht s ILE 114 Cb -0.15 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 2jht s ILE 114 CO -0.04 0.43 0.06 -0.44 -1.23 0.00 0.00 174.94 173.73 2jht s SER 115 N 0.85 5.71 0.06 3.58 0.01 -0.22 -1.27 113.70 122.42 2jht s SER 115 Ca 0.01 0.27 -0.26 0.00 1.31 0.00 0.00 55.95 57.28 2jht s SER 115 Cb -0.14 -1.71 0.08 0.00 0.21 0.00 0.00 66.02 64.46 2jht s SER 115 CO 0.02 0.39 0.73 0.72 0.41 0.00 0.00 173.24 175.51 2jht s PHE 116 N -0.96 -0.48 0.08 2.43 -0.71 -0.46 -0.28 117.98 117.61 2jht s PHE 116 Ca 0.14 0.39 0.06 0.00 -1.04 0.00 0.00 56.93 56.48 2jht s PHE 116 Cb -0.12 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 2jht s PHE 116 CO 0.04 -0.69 -0.11 1.03 -1.34 0.00 0.00 175.22 174.14 2jht s ARG 117 N -3.13 2.18 -0.12 1.99 1.81 0.55 -0.41 118.95 121.83 2jht s ARG 117 Ca 0.01 -0.97 0.02 0.00 -1.72 0.00 0.00 55.73 53.07 2jht s ARG 117 Cb -0.01 -2.32 -0.01 0.00 -0.45 0.00 0.00 34.95 32.17 2jht s ARG 117 CO -0.08 0.53 -0.18 0.08 -0.68 0.00 0.00 175.30 174.96 2jht s VAL 118 N -1.13 2.57 -0.18 3.52 1.01 -1.26 -1.77 120.40 123.16 2jht s VAL 118 Ca 0.19 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2jht s VAL 118 Cb -0.11 -2.04 -0.15 0.00 0.00 0.00 0.00 36.38 34.08 2jht s VAL 118 CO 0.11 0.54 -0.10 0.59 0.00 0.00 0.00 175.10 176.25 2jht n ASN 119 N 3.53 1.98 0.00 3.32 3.02 0.13 -1.70 115.26 125.55 2jht n ASN 119 Ca -0.19 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 2jht n ASN 119 Cb 0.53 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 2jht n ASN 119 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jht n ARG 120 N -2.91 0.00 -3.87 3.52 1.74 -1.26 -4.68 116.66 109.20 2jht n ARG 120 Ca -0.32 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.65 2jht n ARG 120 Cb 0.92 -0.49 -0.10 0.00 -1.02 0.00 0.00 32.46 31.77 2jht n ARG 120 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2jht s GLU 121 N -2.00 0.42 0.30 5.56 -1.05 -1.26 -4.86 118.70 115.80 2jht s GLU 121 Ca 0.00 -0.33 -0.26 0.00 -0.15 0.00 0.00 54.97 54.23 2jht s GLU 121 Cb 0.00 0.17 -0.15 0.00 -0.44 0.00 0.00 34.13 33.72 2jht s GLU 121 CO 0.00 -0.09 0.73 -0.89 0.95 0.00 0.00 175.26 175.95 2jht n ILE 122 N 1.71 1.92 -4.84 1.83 5.41 -1.26 -4.38 119.36 119.75 2jht n ILE 122 Ca -0.21 -0.50 -0.30 0.00 1.00 0.00 0.00 62.75 62.74 2jht n ILE 122 Cb 0.56 -0.56 -0.17 0.00 -0.71 0.00 0.00 39.64 38.76 2jht n ILE 122 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2jht s VAL 123 N -1.15 1.74 0.20 1.39 -7.23 -0.86 -4.98 120.40 109.51 2jht s VAL 123 Ca 0.61 -0.82 0.10 0.00 -1.81 0.00 0.00 61.98 60.06 2jht s VAL 123 Cb -0.75 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 2jht s VAL 123 CO 0.58 0.49 -0.19 -0.44 -0.31 0.00 0.00 175.10 175.23 2jht s SER 124 N 0.62 3.02 0.00 4.85 0.01 -1.26 -0.65 113.70 120.29 2jht s SER 124 Ca -0.14 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2jht s SER 124 Cb -0.16 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.86 2jht s SER 124 CO 0.04 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2jht n GLY 125 N -0.04 0.50 3.76 3.44 0.00 -1.22 -4.47 105.19 107.16 2jht n GLY 125 Ca -0.10 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 2jht n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2jht s MET 126 N -1.39 3.20 -0.12 1.61 -1.94 -0.84 -2.97 119.30 116.85 2jht s MET 126 Ca 0.00 1.73 -0.12 0.00 -1.71 0.00 0.00 55.69 55.59 2jht s MET 126 Cb 0.00 -2.00 0.03 0.00 2.01 0.00 0.00 34.83 34.87 2jht s MET 126 CO 0.00 -1.00 0.34 0.21 -0.01 0.00 0.00 175.02 174.57 2jht s LYS 127 N -3.26 0.44 -0.18 2.03 2.20 -0.52 -0.61 119.74 119.84 2jht s LYS 127 Ca 0.74 0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 56.74 2jht s LYS 127 Cb -0.27 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.25 2jht s LYS 127 CO 0.31 -0.07 -0.12 -0.47 -0.36 0.00 0.00 175.35 174.64 2jht s TYR 128 N -0.00 2.85 -0.12 4.03 5.04 0.11 -1.10 117.35 128.17 2jht s TYR 128 Ca -0.02 -1.02 0.02 0.00 -2.44 0.00 0.00 57.07 53.62 2jht s TYR 128 Cb -0.03 -1.96 -0.00 0.00 0.35 0.00 0.00 41.96 40.32 2jht s TYR 128 CO 0.01 -0.50 -0.20 0.42 -1.34 0.00 0.00 175.55 173.94 2jht s ILE 129 N 1.04 2.37 -0.08 3.14 1.01 -0.05 0.60 121.20 129.23 2jht s ILE 129 Ca -0.01 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2jht s ILE 129 Cb -0.15 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.39 2jht s ILE 129 CO -0.02 0.54 -0.15 -1.58 0.00 0.00 0.00 174.94 173.73 2jht s GLN 130 N 0.46 2.03 -0.17 2.79 0.74 0.34 -0.45 119.66 125.40 2jht s GLN 130 Ca -0.14 -0.52 -0.06 0.00 0.05 0.00 0.00 55.36 54.70 2jht s GLN 130 Cb -0.17 -1.65 -0.04 0.00 1.10 0.00 0.00 33.01 32.25 2jht s GLN 130 CO 0.06 0.03 0.02 -1.01 -0.55 0.00 0.00 175.29 173.84 2jht s HIS 131 N 0.69 3.17 -0.19 1.67 3.76 0.90 -0.98 115.29 124.30 2jht s HIS 131 Ca -0.14 -0.05 -0.05 0.00 -0.15 0.00 0.00 55.06 54.67 2jht s HIS 131 Cb -0.16 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.49 2jht s HIS 131 CO 0.03 0.11 0.01 0.99 -0.85 0.00 0.00 174.74 175.03 2jht s THR 132 N 0.27 4.13 -0.06 1.30 2.01 0.11 -0.49 115.64 122.91 2jht s THR 132 Ca 0.01 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.78 2jht s THR 132 Cb -0.13 -2.86 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 2jht s THR 132 CO 0.01 0.44 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.94 2jht s TYR 133 N 0.77 2.74 -0.18 4.92 2.02 0.35 -0.62 117.35 127.35 2jht s TYR 133 Ca 0.01 -0.19 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2jht s TYR 133 Cb -0.14 -1.67 0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2jht s TYR 133 CO 0.02 0.16 -0.05 0.50 -1.57 0.00 0.00 175.55 174.61 2jht s ARG 134 N -0.61 1.43 -0.93 -0.62 6.06 -0.21 -1.21 118.95 122.86 2jht s ARG 134 Ca 0.09 -0.58 -0.02 0.00 -2.50 0.00 0.00 55.73 52.73 2jht s ARG 134 Cb -0.11 -2.09 0.01 0.00 0.06 0.00 0.00 34.95 32.82 2jht s ARG 134 CO 0.01 -0.46 0.08 0.25 -2.50 0.00 0.00 175.30 172.68 2jht n THR 135 N 4.86 -0.56 -0.98 4.11 -2.24 -1.26 -1.85 114.28 116.36 2jht n THR 135 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2jht n THR 135 Cb 0.47 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 2jht n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jht n GLY 136 N -0.82 0.60 0.00 3.38 0.00 -1.26 -4.78 105.19 102.31 2jht n GLY 136 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jht n GLY 136 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jht n VAL 137 N -2.57 0.00 -4.11 1.61 0.24 -0.77 -5.07 118.33 107.67 2jht n VAL 137 Ca 0.00 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 2jht n VAL 137 Cb 0.04 1.21 -0.13 0.00 -1.47 0.00 0.00 33.84 33.48 2jht n VAL 137 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jht s THR 138 N -0.19 0.45 -0.01 3.34 2.01 -0.90 -5.00 115.64 115.33 2jht s THR 138 Ca 0.00 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 2jht s THR 138 Cb 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 72.50 72.06 2jht s THR 138 CO 0.00 -0.12 0.05 -0.51 -0.69 0.00 0.00 174.62 173.35 2jht s ILE 139 N -0.70 0.03 -0.01 1.82 2.07 -1.26 -1.04 121.20 122.11 2jht s ILE 139 Ca -0.04 -0.23 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 2jht s ILE 139 Cb -0.06 -0.16 0.01 0.00 0.13 0.00 0.00 42.46 42.38 2jht s ILE 139 CO 0.00 -0.13 -0.04 -0.62 -1.91 0.00 0.00 174.94 172.24 2jht s ASP 140 N -0.38 0.57 -0.05 4.50 -1.08 0.20 -4.98 116.67 115.45 2jht s ASP 140 Ca -0.04 -0.08 0.06 0.00 -0.52 0.00 0.00 52.55 51.97 2jht s ASP 140 Cb -0.03 -0.14 -0.01 0.00 -1.46 0.00 0.00 42.92 41.28 2jht s ASP 140 CO 0.00 0.02 -0.25 -0.89 0.52 0.00 0.00 175.17 174.57 2jht s THR 141 N 0.22 2.11 -0.02 1.71 2.01 -1.26 0.05 115.64 120.45 2jht s THR 141 Ca -0.02 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 60.98 2jht s THR 141 Cb -0.06 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 2jht s THR 141 CO -0.00 0.57 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.42 2jht s THR 142 N -0.25 1.47 -0.21 -0.82 2.01 -0.16 -5.00 115.64 112.70 2jht s THR 142 Ca -0.01 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 2jht s THR 142 Cb -0.13 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2jht s THR 142 CO 0.03 0.42 -0.14 -0.62 -0.69 0.00 0.00 174.62 173.62 2jht s ASP 143 N -0.34 3.67 -0.15 3.53 2.15 -1.26 -0.51 116.67 123.76 2jht s ASP 143 Ca 0.05 -0.67 -0.03 0.00 0.43 0.00 0.00 52.55 52.32 2jht s ASP 143 Cb -0.08 -1.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.94 2jht s ASP 143 CO -0.00 -0.04 -0.04 -0.31 -0.17 0.00 0.00 175.17 174.61 2jht s TYR 144 N 1.33 3.03 0.09 -5.34 2.02 0.20 -4.95 117.35 113.72 2jht s TYR 144 Ca 0.04 -0.26 -0.31 0.00 -0.37 0.00 0.00 57.07 56.16 2jht s TYR 144 Cb -0.14 -1.94 -0.10 0.00 -0.40 0.00 0.00 41.96 39.38 2jht s TYR 144 CO -0.09 0.00 1.89 -0.12 -1.57 0.00 0.00 175.55 175.66 2jht n MET 145 N 3.41 2.82 -0.10 -0.62 0.00 -1.26 -0.71 117.12 120.66 2jht n MET 145 Ca -0.17 1.03 -0.19 0.00 0.00 0.00 0.00 57.70 58.37 2jht n MET 145 Cb 0.53 -2.94 -0.12 0.00 0.00 0.00 0.00 33.22 30.68 2jht n MET 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2jht n VAL 146 N 4.99 1.55 0.00 1.12 0.31 0.23 -4.88 118.33 121.65 2jht n VAL 146 Ca 0.19 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2jht n VAL 146 Cb 0.38 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 2jht n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jht n GLY 147 N 2.19 0.28 3.19 2.92 0.00 -1.22 -4.98 105.19 107.57 2jht n GLY 147 Ca -0.43 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 42.99 2jht n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jht s SER 148 N -4.00 3.22 -0.09 1.61 0.01 -1.26 -1.99 113.70 111.20 2jht s SER 148 Ca 0.00 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.71 2jht s SER 148 Cb 0.00 -1.47 0.01 0.00 0.21 0.00 0.00 66.02 64.77 2jht s SER 148 CO 0.00 0.08 -0.15 -0.31 0.41 0.00 0.00 173.24 173.27 2jht s TYR 149 N 0.80 1.83 0.52 2.43 2.02 0.18 -4.98 117.35 120.16 2jht s TYR 149 Ca -0.07 -0.78 -0.16 0.00 -0.37 0.00 0.00 57.07 55.69 2jht s TYR 149 Cb -0.16 -1.31 -0.08 0.00 -0.40 0.00 0.00 41.96 40.01 2jht s TYR 149 CO -0.01 -0.38 0.99 0.20 -1.57 0.00 0.00 175.55 174.77 2jht s GLY 150 N 0.77 2.03 0.56 0.71 0.00 -1.26 -2.02 107.32 108.11 2jht s GLY 150 Ca -0.12 0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.56 2jht s GLY 150 CO 0.02 0.43 1.23 2.56 0.00 0.00 0.00 173.10 177.34 2jht s PRO 151 N -4.15 3.15 -0.27 2.90 0.04 -1.26 -4.73 135.00 130.68 2jht s PRO 151 Ca 0.59 1.89 -0.35 0.00 0.04 0.00 0.00 61.00 63.17 2jht s PRO 151 Cb -0.10 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.53 2jht s PRO 151 CO 0.33 -1.08 1.34 -0.98 0.04 0.00 0.00 177.00 176.65 2jht s ARG 152 N -3.13 0.09 0.14 4.56 1.70 -0.69 -4.98 118.95 116.64 2jht s ARG 152 Ca 0.74 -0.02 -0.15 0.00 -0.47 0.00 0.00 55.73 55.83 2jht s ARG 152 Cb -0.32 0.04 0.00 0.00 -0.57 0.00 0.00 34.95 34.11 2jht s ARG 152 CO 0.36 -0.04 1.63 0.00 -1.08 0.00 0.00 175.30 176.18 2jht h ALA 153 N 2.02 0.58 -2.63 7.88 0.00 -1.95 -3.40 119.26 121.76 2jht h ALA 153 Ca -0.05 -0.20 -0.49 0.00 0.00 0.00 0.00 54.91 54.17 2jht h ALA 153 Cb 1.15 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2jht h ALA 153 CO 0.20 0.27 0.42 -2.00 0.00 0.00 0.00 179.25 178.14 2jht s GLU 154 N -5.28 4.47 0.61 0.00 2.12 -1.26 -4.96 118.70 114.40 2jht s GLU 154 Ca -0.13 1.59 -0.17 0.00 0.36 0.00 0.00 54.97 56.62 2jht s GLU 154 Cb 0.11 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 2jht s GLU 154 CO 0.78 0.12 1.12 -1.83 -0.54 0.00 0.00 175.26 174.91 2jht s GLU 155 N -1.92 3.02 0.30 4.30 -1.05 -1.26 -4.80 118.70 117.29 2jht s GLU 155 Ca 0.50 1.51 0.08 0.00 -0.15 0.00 0.00 54.97 56.90 2jht s GLU 155 Cb -0.25 -1.97 -0.03 0.00 -0.44 0.00 0.00 34.13 31.43 2jht s GLU 155 CO 0.32 -1.10 0.22 0.71 0.95 0.00 0.00 175.26 176.36 2jht s TYR 156 N -2.07 2.92 -0.05 4.83 2.02 0.45 -4.96 117.35 120.50 2jht s TYR 156 Ca 0.70 -0.25 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 2jht s TYR 156 Cb -0.22 -1.60 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 2jht s TYR 156 CO 0.35 0.34 0.03 -1.21 -1.57 0.00 0.00 175.55 173.49 2jht s GLU 157 N -3.90 0.23 -0.09 -0.62 2.02 -1.26 -1.36 118.70 113.72 2jht s GLU 157 Ca 0.37 0.22 -0.05 0.00 0.02 0.00 0.00 54.97 55.53 2jht s GLU 157 Cb -0.06 -0.65 -0.04 0.00 0.10 0.00 0.00 34.13 33.48 2jht s GLU 157 CO 0.25 -0.28 0.11 0.12 0.02 0.00 0.00 175.26 175.49 2jht s PHE 158 N 1.84 3.48 -0.03 1.61 5.36 -0.40 -4.95 117.98 124.89 2jht s PHE 158 Ca 0.02 0.42 0.05 0.00 -0.96 0.00 0.00 56.93 56.46 2jht s PHE 158 Cb -0.12 -1.88 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 2jht s PHE 158 CO -0.03 0.66 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.69 2jht s LEU 159 N -1.17 1.98 0.78 6.12 1.43 -1.26 -0.27 118.68 126.29 2jht s LEU 159 Ca 0.17 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 2jht s LEU 159 Cb -0.12 -1.00 0.06 0.00 0.03 0.00 0.00 46.19 45.16 2jht s LEU 159 CO 0.06 0.20 1.08 0.42 0.23 0.00 0.00 176.35 178.35 2jht s THR 160 N -0.21 3.32 1.12 5.49 -4.23 -0.58 -4.98 115.64 115.57 2jht s THR 160 Ca 0.02 0.43 -0.13 0.00 -1.18 0.00 0.00 61.69 60.83 2jht s THR 160 Cb -0.10 -3.02 0.24 0.00 1.34 0.00 0.00 72.50 70.97 2jht s THR 160 CO 0.01 -0.56 0.93 -2.65 -0.54 0.00 0.00 174.62 171.80 2jht n PRO 161 N -3.49 -1.95 -1.96 3.99 -0.02 -1.26 -4.59 135.00 125.72 2jht n PRO 161 Ca 0.08 -0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 60.61 2jht n PRO 161 Cb 0.54 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 2jht n PRO 161 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jht s VAL 162 N -2.43 2.53 0.35 -1.45 1.01 -1.26 -4.68 120.40 114.47 2jht s VAL 162 Ca 0.67 0.45 0.09 0.00 0.00 0.00 0.00 61.98 63.18 2jht s VAL 162 Cb -0.24 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2jht s VAL 162 CO 0.64 0.07 0.04 -1.61 0.00 0.00 0.00 175.10 174.24 2jht s GLU 163 N -0.40 2.11 -0.11 2.72 0.41 0.60 -4.95 118.70 119.08 2jht s GLU 163 Ca 0.60 -1.76 0.03 0.00 -0.41 0.00 0.00 54.97 53.43 2jht s GLU 163 Cb -0.43 -1.94 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 2jht s GLU 163 CO 0.44 0.10 -0.23 -2.00 -0.49 0.00 0.00 175.26 173.08 2jht s GLU 164 N -3.74 2.95 0.54 1.61 2.12 -1.26 -0.98 118.70 119.94 2jht s GLU 164 Ca 0.36 -0.84 -0.21 0.00 0.36 0.00 0.00 54.97 54.64 2jht s GLU 164 Cb 0.01 -2.28 -0.07 0.00 0.26 0.00 0.00 34.13 32.05 2jht s GLU 164 CO 0.20 0.12 1.02 0.00 -0.54 0.00 0.00 175.26 176.06 2jht n ALA 165 N 3.69 0.36 -1.60 6.30 0.00 0.56 -4.91 120.51 124.92 2jht n ALA 165 Ca -0.19 0.09 -0.45 0.00 0.00 0.00 0.00 53.44 52.88 2jht n ALA 165 Cb 0.53 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 2jht n ALA 165 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2jht n PRO 166 N -0.63 1.44 -4.79 0.00 -0.02 -1.26 -2.17 135.00 127.56 2jht n PRO 166 Ca 0.12 0.51 -0.27 0.00 -2.02 0.00 0.00 63.50 61.84 2jht n PRO 166 Cb 0.45 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 31.84 2jht n PRO 166 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2jht s LYS 167 N -1.28 1.54 0.00 -0.52 2.47 -1.26 -2.13 119.74 118.56 2jht s LYS 167 Ca 0.62 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 54.12 2jht s LYS 167 Cb -0.71 -1.61 0.00 0.00 -1.46 0.00 0.00 37.83 34.05 2jht s LYS 167 CO 0.58 0.42 0.00 0.41 0.16 0.00 0.00 175.35 176.92 2jht n GLY 168 N 2.05 2.88 0.27 5.54 0.00 -1.26 -4.52 105.19 110.15 2jht n GLY 168 Ca -0.17 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.18 2jht n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2jht h MET 169 N 0.00 0.34 0.00 1.61 4.05 -2.00 -0.57 114.93 118.36 2jht h MET 169 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2jht h MET 169 Cb 0.00 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2jht h MET 169 CO 0.00 0.22 0.00 1.28 0.23 0.00 0.00 176.91 178.64 2jht n LEU 170 N -5.08 0.00 -0.71 3.39 4.32 -1.26 -2.45 117.00 115.21 2jht n LEU 170 Ca 0.14 0.39 0.12 0.00 -0.02 0.00 0.00 56.01 56.63 2jht n LEU 170 Cb 0.43 -0.39 0.08 0.00 -1.62 0.00 0.00 43.42 41.91 2jht n LEU 170 CO 0.16 -0.18 0.49 0.00 -1.22 0.00 0.00 177.39 176.63 2jht n ALA 171 N -1.39 2.99 -1.51 -1.18 0.00 -0.23 -5.00 120.51 114.20 2jht n ALA 171 Ca 0.06 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 2jht n ALA 171 Cb 0.15 -0.83 0.11 0.00 0.00 0.00 0.00 19.45 18.88 2jht n ALA 171 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jht s ARG 172 N -2.24 1.75 0.55 0.00 0.52 -1.02 -4.81 118.95 113.69 2jht s ARG 172 Ca 0.24 0.57 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 2jht s ARG 172 Cb 0.19 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.78 2jht s ARG 172 CO 0.43 -1.84 0.00 0.41 0.02 0.00 0.00 175.30 174.32 2jht n GLY 173 N -2.01 -0.97 3.83 -3.53 0.00 0.75 -4.85 105.19 98.40 2jht n GLY 173 Ca 0.07 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 2jht n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jht s SER 174 N -4.00 6.74 -0.01 1.61 0.15 -1.26 -0.01 113.70 116.91 2jht s SER 174 Ca 0.00 0.88 0.05 0.00 0.70 0.00 0.00 55.95 57.58 2jht s SER 174 Cb 0.00 -2.23 -0.01 0.00 -1.71 0.00 0.00 66.02 62.07 2jht s SER 174 CO 0.00 0.30 -0.17 -0.31 1.20 0.00 0.00 173.24 174.26 2jht s TYR 175 N -0.86 1.50 -0.02 3.44 1.51 0.85 -4.55 117.35 119.22 2jht s TYR 175 Ca 0.23 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.96 2jht s TYR 175 Cb -0.16 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 2jht s TYR 175 CO 0.12 -0.03 0.18 -1.12 -1.11 0.00 0.00 175.55 173.59 2jht s SER 176 N -0.38 6.38 -0.08 2.29 0.01 -0.35 -1.49 113.70 120.08 2jht s SER 176 Ca 0.06 0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.72 2jht s SER 176 Cb -0.07 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.16 2jht s SER 176 CO -0.01 0.28 -0.14 -0.63 0.41 0.00 0.00 173.24 173.15 2jht s ILE 177 N -1.29 1.30 -0.24 1.44 -1.09 0.13 -0.49 121.20 120.96 2jht s ILE 177 Ca 0.26 -0.56 -0.03 0.00 -2.23 0.00 0.00 60.65 58.08 2jht s ILE 177 Cb -0.13 -1.18 0.01 0.00 -1.58 0.00 0.00 42.46 39.58 2jht s ILE 177 CO 0.17 0.39 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.69 2jht s LYS 178 N 0.71 3.14 -0.09 2.79 -0.14 0.35 -1.36 119.74 125.14 2jht s LYS 178 Ca -0.13 -0.78 0.01 0.00 -1.36 0.00 0.00 55.97 53.70 2jht s LYS 178 Cb -0.16 -3.02 -0.02 0.00 -1.68 0.00 0.00 37.83 32.94 2jht s LYS 178 CO 0.03 -0.30 -0.10 -1.12 -0.76 0.00 0.00 175.35 173.11 2jht s SER 179 N 1.42 4.35 -0.03 2.83 0.01 0.11 -0.07 113.70 122.31 2jht s SER 179 Ca 0.04 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.15 2jht s SER 179 Cb -0.15 -1.25 0.03 0.00 0.21 0.00 0.00 66.02 64.85 2jht s SER 179 CO -0.04 0.29 -0.01 -0.13 0.41 0.00 0.00 173.24 173.76 2jht s ARG 180 N -0.38 0.47 -0.32 12.44 3.00 0.40 -0.91 118.95 133.65 2jht s ARG 180 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 55.73 55.70 2jht s ARG 180 Cb -0.12 -0.59 0.01 0.00 0.00 0.00 0.00 34.95 34.25 2jht s ARG 180 CO 0.02 -0.11 0.14 0.12 0.00 0.00 0.00 175.30 175.47 2jht s PHE 181 N 0.96 3.18 0.00 -0.53 2.19 0.41 -0.87 117.98 123.32 2jht s PHE 181 Ca -0.11 -0.79 0.00 0.00 0.33 0.00 0.00 56.93 56.36 2jht s PHE 181 Cb -0.14 -2.33 0.00 0.00 -1.31 0.00 0.00 43.02 39.24 2jht s PHE 181 CO -0.01 -0.53 0.00 -2.37 1.83 0.00 0.00 175.22 174.14 2jht n THR 182 N 4.94 0.00 -3.01 0.12 5.66 -0.26 -1.22 114.28 120.53 2jht n THR 182 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 2jht n THR 182 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2jht n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2jht n ASP 183 N -0.24 0.00 0.16 1.09 5.68 -1.25 -1.44 116.55 120.54 2jht n ASP 183 Ca 0.00 -0.93 0.03 0.00 -0.50 0.00 0.00 54.79 53.38 2jht n ASP 183 Cb 0.00 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.38 2jht n ASP 183 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2jht h ASP 184 N 0.00 0.12 -0.12 -1.12 2.03 -1.75 -1.72 116.42 113.86 2jht h ASP 184 Ca 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2jht h ASP 184 Cb 0.00 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 2jht h ASP 184 CO 0.00 0.35 0.00 0.47 -1.03 0.00 0.00 179.24 179.03 2jht n ASP 185 N -4.23 0.96 -1.14 4.15 8.00 -1.26 -4.92 116.55 118.11 2jht n ASP 185 Ca -0.01 -1.68 -0.13 0.00 0.71 0.00 0.00 54.79 53.67 2jht n ASP 185 Cb 0.31 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 2jht n ASP 185 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jht n LYS 186 N -0.11 -0.96 -2.00 -1.24 4.01 -0.65 -4.97 118.16 112.25 2jht n LYS 186 Ca 0.13 0.89 -0.42 0.00 -0.51 0.00 0.00 58.31 58.41 2jht n LYS 186 Cb 0.20 -5.00 -0.03 0.00 -0.51 0.00 0.00 35.03 29.70 2jht n LYS 186 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2jht s THR 187 N -2.54 2.70 -1.11 -0.18 2.01 -1.26 -4.85 115.64 110.41 2jht s THR 187 Ca 0.00 0.55 -0.19 0.00 0.31 0.00 0.00 61.69 62.36 2jht s THR 187 Cb 0.00 -3.35 0.10 0.00 0.01 0.00 0.00 72.50 69.26 2jht s THR 187 CO 0.00 0.07 1.45 -0.62 -0.69 0.00 0.00 174.62 174.83 2jht s ASP 188 N 0.66 6.74 0.14 3.53 2.15 -1.26 -3.82 116.67 124.81 2jht s ASP 188 Ca 0.63 -2.18 -0.15 0.00 0.43 0.00 0.00 52.55 51.29 2jht s ASP 188 Cb -0.42 -2.50 0.01 0.00 -0.30 0.00 0.00 42.92 39.71 2jht s ASP 188 CO 0.39 -1.16 1.68 0.45 -0.17 0.00 0.00 175.17 176.36 2jht h HIS 189 N 8.43 0.69 -1.75 -5.34 3.86 -1.52 -3.44 115.15 116.08 2jht h HIS 189 Ca 0.28 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.47 2jht h HIS 189 Cb 0.95 -0.20 -0.24 0.00 1.06 0.00 0.00 27.41 28.97 2jht h HIS 189 CO 1.26 0.60 0.31 -1.17 0.86 0.00 0.00 177.93 179.79 2jht s LEU 190 N -9.76 -0.59 -0.03 2.43 2.96 -1.19 -4.73 118.68 107.77 2jht s LEU 190 Ca -0.13 1.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 2jht s LEU 190 Cb 0.11 2.08 -0.02 0.00 0.50 0.00 0.00 46.19 48.86 2jht s LEU 190 CO 0.76 -0.18 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.98 2jht s SER 191 N 0.52 3.61 0.19 3.68 0.01 -1.26 -0.44 113.70 120.00 2jht s SER 191 Ca -0.00 -0.32 -0.16 0.00 1.31 0.00 0.00 55.95 56.78 2jht s SER 191 Cb -0.05 -0.62 0.02 0.00 0.21 0.00 0.00 66.02 65.58 2jht s SER 191 CO -0.06 0.33 0.47 -1.66 0.41 0.00 0.00 173.24 172.72 2jht s TRP 192 N -0.69 -0.01 -0.03 2.43 -2.14 -0.09 -5.01 118.94 113.40 2jht s TRP 192 Ca 0.11 -0.34 0.04 0.00 2.66 0.00 0.00 56.10 58.57 2jht s TRP 192 Cb -0.10 0.29 -0.00 0.00 -3.10 0.00 0.00 33.47 30.55 2jht s TRP 192 CO 0.00 -0.87 -0.14 -2.00 -2.66 0.00 0.00 176.95 171.28 2jht s GLU 193 N -3.89 1.38 0.30 3.25 2.12 -1.26 0.06 118.70 120.66 2jht s GLU 193 Ca 0.11 -0.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.85 2jht s GLU 193 Cb 0.00 -1.26 0.00 0.00 0.26 0.00 0.00 34.13 33.13 2jht s GLU 193 CO -0.03 0.23 0.49 1.67 -0.54 0.00 0.00 175.26 177.09 2jht s TRP 194 N -0.04 0.68 0.03 5.30 1.48 -0.47 -4.24 118.94 121.68 2jht s TRP 194 Ca -0.01 -1.01 0.04 0.00 -1.06 0.00 0.00 56.10 54.06 2jht s TRP 194 Cb -0.09 0.10 -0.02 0.00 -1.16 0.00 0.00 33.47 32.30 2jht s TRP 194 CO 0.01 -1.10 -0.11 -0.80 -4.06 0.00 0.00 176.95 170.89 2jht s ASN 195 N -3.13 1.25 0.07 -2.66 0.01 -1.26 0.20 114.94 109.42 2jht s ASN 195 Ca 0.26 -0.42 0.07 0.00 -0.71 0.00 0.00 52.86 52.06 2jht s ASN 195 Cb -0.01 -0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.56 2jht s ASN 195 CO 0.14 -0.03 -0.17 -0.76 -1.51 0.00 0.00 177.10 174.77 2jht s LEU 196 N -1.09 2.69 -0.14 0.60 1.43 -0.55 -0.87 118.68 120.76 2jht s LEU 196 Ca -0.02 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2jht s LEU 196 Cb -0.07 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.60 2jht s LEU 196 CO 0.01 0.23 -0.16 -0.89 0.23 0.00 0.00 176.35 175.77 2jht s THR 197 N -1.01 1.64 -0.19 5.49 2.01 0.39 -0.10 115.64 123.87 2jht s THR 197 Ca 0.16 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 2jht s THR 197 Cb -0.11 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 2jht s THR 197 CO 0.07 0.47 0.27 -0.63 -0.69 0.00 0.00 174.62 174.12 2jht s ILE 198 N 1.20 5.31 0.21 1.82 -1.09 0.99 -0.79 121.20 128.85 2jht s ILE 198 Ca -0.01 0.47 0.09 0.00 -2.23 0.00 0.00 60.65 58.98 2jht s ILE 198 Cb -0.14 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2jht s ILE 198 CO -0.06 0.36 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.29 2jht s LYS 199 N 0.72 1.42 0.34 2.79 -0.14 -0.74 -0.18 119.74 123.95 2jht s LYS 199 Ca 0.14 -1.57 0.02 0.00 -1.36 0.00 0.00 55.97 53.21 2jht s LYS 199 Cb -0.13 -1.41 0.61 0.00 -1.68 0.00 0.00 37.83 35.22 2jht s LYS 199 CO 0.04 0.27 1.97 -0.22 -0.76 0.00 0.00 175.35 176.65 2jht h LYS 200 N 2.76 0.88 -4.08 1.68 3.64 -1.97 0.35 116.57 119.83 2jht h LYS 200 Ca -0.41 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 58.78 2jht h LYS 200 Cb 1.22 -0.20 -0.18 0.00 -0.41 0.00 0.00 32.23 32.67 2jht h LYS 200 CO 0.57 0.58 -0.68 -0.51 -2.27 0.00 0.00 179.45 177.14 2jht s ASP 201 N -6.29 0.35 0.00 4.20 1.01 -1.26 -4.54 116.67 110.13 2jht s ASP 201 Ca -0.10 -0.73 0.00 0.00 0.71 0.00 0.00 52.55 52.43 2jht s ASP 201 Cb 0.18 0.16 0.00 0.00 1.01 0.00 0.00 42.92 44.27 2jht s ASP 201 CO 0.78 -0.45 0.46 0.79 0.21 0.00 0.00 175.17 176.95