#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 2.75 -2.09 0.00 0.00 -1.26 -4.90 117.12 111.63 2jht n MET 66 Ca 0.00 -4.51 -0.30 0.00 0.00 0.00 0.00 57.70 52.89 2jht n MET 66 Cb 0.00 -2.11 0.02 0.00 0.00 0.00 0.00 33.22 31.13 2jht n MET 66 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 2jht n VAL 67 N -0.15 2.82 -1.77 1.12 3.14 -1.26 -5.10 118.33 117.13 2jht n VAL 67 Ca 0.30 -4.34 -0.30 0.00 -2.96 0.00 0.00 64.34 57.04 2jht n VAL 67 Cb 0.47 -1.21 0.21 0.00 -1.06 0.00 0.00 33.84 32.25 2jht n VAL 67 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2jht n PRO 68 N -0.62 -1.63 0.05 1.45 -0.02 -1.26 -4.68 135.00 128.29 2jht n PRO 68 Ca 0.47 -2.01 -0.02 0.00 -2.02 0.00 0.00 63.50 59.92 2jht n PRO 68 Cb 0.67 -1.42 -0.01 0.00 -0.02 0.00 0.00 33.50 32.72 2jht n PRO 68 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2jht h ASN 69 N -1.93 -0.11 -3.40 2.55 -0.73 -1.97 -3.43 115.58 106.57 2jht h ASN 69 Ca -0.43 0.00 -0.66 0.00 1.87 0.00 0.00 56.30 57.09 2jht h ASN 69 Cb 1.20 0.03 -0.25 0.00 0.27 0.00 0.00 38.32 39.57 2jht h ASN 69 CO 0.30 -0.07 -0.74 -0.69 -0.37 0.00 0.00 177.43 175.86 2jht s VAL 70 N -3.07 3.29 -0.33 2.57 1.01 -1.26 -1.02 120.40 121.58 2jht s VAL 70 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2jht s VAL 70 Cb 0.00 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 34.08 2jht s VAL 70 CO 0.06 0.53 0.05 -0.69 0.00 0.00 0.00 175.10 175.04 2jht s VAL 71 N 0.18 2.76 -0.16 2.92 1.01 0.15 -4.93 120.40 122.34 2jht s VAL 71 Ca -0.06 -1.83 -0.29 0.00 0.00 0.00 0.00 61.98 59.80 2jht s VAL 71 Cb -0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2jht s VAL 71 CO 0.04 -0.36 1.71 -0.69 0.00 0.00 0.00 175.10 175.80 2jht s VAL 72 N 1.12 3.55 -0.17 2.92 1.01 -1.26 -0.32 120.40 127.25 2jht s VAL 72 Ca 0.01 0.63 0.19 0.00 0.00 0.00 0.00 61.98 62.81 2jht s VAL 72 Cb -0.20 -3.53 -0.26 0.00 0.00 0.00 0.00 36.38 32.39 2jht s VAL 72 CO -0.04 -0.19 0.14 0.35 0.00 0.00 0.00 175.10 175.36 2jht n THR 73 N 6.24 1.15 -3.50 3.92 -2.24 0.40 -4.39 114.28 115.86 2jht n THR 73 Ca 0.20 -0.79 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 2jht n THR 73 Cb 0.44 -0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 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 -5.31 -0.51 -0.03 3.38 0.00 -1.05 -0.96 107.32 102.83 2jht s GLY 74 Ca -0.10 1.12 0.05 0.00 0.00 0.00 0.00 44.72 45.79 2jht s GLY 74 CO 0.84 0.57 -0.17 -2.27 0.00 0.00 0.00 173.10 172.07 2jht s LEU 75 N -1.98 1.94 -0.04 0.66 0.20 -0.80 -1.17 118.68 117.49 2jht s LEU 75 Ca -0.02 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.50 2jht s LEU 75 Cb -0.01 -0.93 0.00 0.00 -0.43 0.00 0.00 46.19 44.82 2jht s LEU 75 CO -0.03 0.17 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.17 2jht s THR 76 N -0.09 1.10 -0.47 3.68 2.01 -0.06 0.46 115.64 122.28 2jht s THR 76 Ca -0.01 -0.53 -0.21 0.00 0.31 0.00 0.00 61.69 61.26 2jht s THR 76 Cb -0.10 -0.97 0.03 0.00 0.01 0.00 0.00 72.50 71.48 2jht s THR 76 CO 0.01 0.33 0.67 -0.22 -0.69 0.00 0.00 174.62 174.72 2jht s LEU 77 N 0.17 4.59 -0.39 4.42 0.20 0.06 -0.70 118.68 127.03 2jht s LEU 77 Ca -0.05 -0.50 -0.23 0.00 0.69 0.00 0.00 54.13 54.05 2jht s LEU 77 Cb -0.11 -2.66 0.01 0.00 -0.43 0.00 0.00 46.19 43.00 2jht s LEU 77 CO 0.01 -0.86 0.75 -0.69 -0.29 0.00 0.00 176.35 175.28 2jht s VAL 78 N 2.88 4.74 -0.19 1.68 1.01 0.10 -4.45 120.40 126.18 2jht s VAL 78 Ca 0.21 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.83 2jht s VAL 78 Cb -0.15 -4.21 0.10 0.00 0.00 0.00 0.00 36.38 32.11 2jht s VAL 78 CO 0.17 -0.49 0.35 0.00 0.00 0.00 0.00 175.10 175.14 2jht h SER 80 N 8.21 0.00 -0.18 0.00 4.64 -1.95 -2.54 113.55 121.73 2jht h SER 80 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2jht h SER 80 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2jht h SER 80 CO 0.17 0.18 0.00 -1.54 -0.87 0.00 0.00 176.83 174.77 2jht n SER 81 N -3.63 3.14 -4.77 4.97 3.41 -1.26 -4.96 113.62 110.52 2jht n SER 81 Ca -0.01 -1.98 -0.39 0.00 -0.26 0.00 0.00 58.87 56.22 2jht n SER 81 Cb 0.31 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.79 3.28 -1.86 7.33 0.00 -0.96 -4.93 121.76 122.83 2jht s ALA 82 Ca 0.33 1.00 0.26 0.00 0.00 0.00 0.00 51.96 53.55 2jht s ALA 82 Cb 0.21 -3.38 1.51 0.00 0.00 0.00 0.00 23.12 21.46 2jht s ALA 82 CO 0.31 -0.45 1.92 -0.35 0.00 0.00 0.00 175.76 177.19 2jht n PRO 83 N 0.49 0.72 -3.55 0.00 -0.04 -1.26 -4.88 135.00 126.47 2jht n PRO 83 Ca 0.02 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 2jht n PRO 83 Cb 0.45 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 2jht n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2jht s GLY 84 N -2.14 -0.44 0.39 0.55 0.00 -1.26 -5.15 107.32 99.27 2jht s GLY 84 Ca 0.36 0.55 -0.27 0.00 0.00 0.00 0.00 44.72 45.36 2jht s GLY 84 CO 0.33 0.18 1.36 -4.14 0.00 0.00 0.00 173.10 170.83 2jht s PRO 85 N -3.45 4.06 -0.47 2.90 0.02 -1.26 -4.99 135.00 131.82 2jht s PRO 85 Ca 0.05 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.41 2jht s PRO 85 Cb -0.02 -2.87 0.12 0.00 0.02 0.00 0.00 34.50 31.75 2jht s PRO 85 CO -0.07 -0.47 0.21 -0.51 -0.33 0.00 0.00 177.00 175.83 2jht s LEU 86 N -2.23 4.54 -0.01 -5.54 1.43 -1.26 -5.08 118.68 110.53 2jht s LEU 86 Ca 0.54 -2.73 0.02 0.00 -1.03 0.00 0.00 54.13 50.93 2jht s LEU 86 Cb -0.41 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.15 2jht s LEU 86 CO 0.54 -0.29 -0.05 -1.61 0.23 0.00 0.00 176.35 175.17 2jht s GLU 87 N 0.11 0.45 -0.16 1.70 2.02 -1.26 -0.76 118.70 120.80 2jht s GLU 87 Ca 0.15 -0.19 -0.02 0.00 0.02 0.00 0.00 54.97 54.93 2jht s GLU 87 Cb -0.23 -0.44 -0.02 0.00 0.10 0.00 0.00 34.13 33.53 2jht s GLU 87 CO -0.03 0.10 -0.07 -0.51 0.02 0.00 0.00 175.26 174.77 2jht s LEU 88 N -0.07 2.97 -0.33 1.80 1.43 0.17 -4.99 118.68 119.67 2jht s LEU 88 Ca 0.01 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 2jht s LEU 88 Cb -0.03 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 2jht s LEU 88 CO -0.00 0.12 0.62 -0.62 0.23 0.00 0.00 176.35 176.70 2jht s ASP 89 N 0.61 6.45 0.00 2.29 2.15 -1.26 -1.90 116.67 125.00 2jht s ASP 89 Ca -0.05 0.27 0.23 0.00 0.43 0.00 0.00 52.55 53.43 2jht s ASP 89 Cb -0.15 -2.32 0.58 0.00 -0.30 0.00 0.00 42.92 40.73 2jht s ASP 89 CO 0.03 -0.52 1.50 0.18 -0.17 0.00 0.00 175.17 176.18 2jht n LEU 90 N 5.93 3.75 0.05 -1.34 4.77 -0.14 -4.35 117.00 125.66 2jht n LEU 90 Ca -0.01 -1.80 0.13 0.00 -0.03 0.00 0.00 56.01 54.29 2jht n LEU 90 Cb 0.49 -0.42 0.36 0.00 -2.33 0.00 0.00 43.42 41.53 2jht n LEU 90 CO 0.47 0.90 0.67 0.35 -1.33 0.00 0.00 177.39 178.45 2jht n THR 91 N 1.58 0.26 0.00 -5.08 -2.24 -1.25 -4.84 114.28 102.71 2jht n THR 91 Ca 0.23 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2jht n THR 91 Cb 0.61 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.40 2.50 3.76 3.38 0.00 -1.26 -5.09 105.19 109.88 2jht n GLY 92 Ca 0.05 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2jht n GLY 92 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jht n ASP 93 N 0.00 3.82 -0.03 1.61 2.03 -1.26 -4.94 116.55 117.78 2jht n ASP 93 Ca 0.00 1.19 -0.01 0.00 0.52 0.00 0.00 54.79 56.50 2jht n ASP 93 Cb 0.00 -1.61 -0.09 0.00 -0.72 0.00 0.00 41.12 38.70 2jht n ASP 93 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jht n LEU 94 N 1.22 0.00 0.31 -2.67 4.77 -1.26 -4.60 117.00 114.78 2jht n LEU 94 Ca 0.05 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.21 2jht n LEU 94 Cb 0.38 0.16 1.03 0.00 -2.33 0.00 0.00 43.42 42.66 2jht n LEU 94 CO 0.64 0.16 1.14 -0.33 -1.33 0.00 0.00 177.39 177.67 2jht h GLU 95 N 0.00 0.00 -0.06 3.23 4.39 -1.94 -2.55 114.58 117.65 2jht h GLU 95 Ca -0.18 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 2jht h GLU 95 Cb 1.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2jht h GLU 95 CO 0.01 0.00 -0.28 1.03 -1.16 0.00 0.00 179.01 178.61 2jht h SER 96 N 0.00 0.10 1.12 1.42 0.87 -1.96 -2.80 113.55 112.30 2jht h SER 96 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2jht h SER 96 Cb 0.02 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2jht h SER 96 CO 0.00 0.39 0.00 -0.26 -0.53 0.00 0.00 176.83 176.43 2jht h PHE 97 N 0.10 0.00 0.00 2.24 0.04 -1.73 -1.54 116.94 116.04 2jht h PHE 97 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2jht h PHE 97 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2jht h PHE 97 CO 0.00 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 179.34 2jht n LYS 98 N -3.05 0.09 -0.09 1.51 5.02 -1.06 -2.88 118.16 117.69 2jht n LYS 98 Ca 0.01 0.48 0.03 0.00 -2.02 0.00 0.00 58.31 56.81 2jht n LYS 98 Cb 0.33 -1.73 0.08 0.00 -0.02 0.00 0.00 35.03 33.69 2jht n LYS 98 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jht n LYS 99 N -1.90 2.81 -4.29 1.97 5.02 -0.58 -4.95 118.16 116.25 2jht n LYS 99 Ca 0.01 -1.85 -0.15 0.00 -2.02 0.00 0.00 58.31 54.30 2jht n LYS 99 Cb 0.09 -1.18 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.25 1.32 0.10 1.97 -0.21 -1.14 -5.14 119.66 115.30 2jht s GLN 100 Ca 0.13 -1.69 -0.11 0.00 0.02 0.00 0.00 55.36 53.70 2jht s GLN 100 Cb 0.08 -0.23 0.01 0.00 1.00 0.00 0.00 33.01 33.88 2jht s GLN 100 CO 0.06 -0.26 0.27 -1.54 -2.12 0.00 0.00 175.29 171.70 2jht s SER 101 N -3.26 -0.00 0.01 5.90 1.04 -1.26 -4.12 113.70 112.00 2jht s SER 101 Ca 0.34 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 56.16 2jht s SER 101 Cb 0.07 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2jht s SER 101 CO 0.11 -0.78 0.28 -0.36 0.98 0.00 0.00 173.24 173.47 2jht s PHE 102 N -3.84 3.58 -0.20 5.02 0.08 -0.51 -4.93 117.98 117.18 2jht s PHE 102 Ca 0.04 0.60 -0.09 0.00 0.12 0.00 0.00 56.93 57.60 2jht s PHE 102 Cb 0.04 -2.01 -0.05 0.00 -0.57 0.00 0.00 43.02 40.43 2jht s PHE 102 CO -0.11 0.61 0.12 0.08 -0.10 0.00 0.00 175.22 175.82 2jht s VAL 103 N -1.29 5.23 -0.07 -0.44 1.01 -1.26 0.29 120.40 123.86 2jht s VAL 103 Ca 0.27 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.42 2jht s VAL 103 Cb -0.13 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2jht s VAL 103 CO 0.16 0.42 -0.17 -0.76 0.00 0.00 0.00 175.10 174.75 2jht s LEU 104 N 0.53 2.53 0.34 3.92 1.43 -0.59 -4.95 118.68 121.89 2jht s LEU 104 Ca 0.07 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 2jht s LEU 104 Cb -0.12 -1.51 -0.10 0.00 0.03 0.00 0.00 46.19 44.49 2jht s LEU 104 CO -0.00 0.28 1.31 -0.75 0.23 0.00 0.00 176.35 177.42 2jht s LYS 105 N -0.33 4.31 0.58 1.70 2.20 -1.26 -1.60 119.74 125.34 2jht s LYS 105 Ca 0.03 2.23 -0.20 0.00 -0.36 0.00 0.00 55.97 57.66 2jht s LYS 105 Cb -0.13 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2jht s LYS 105 CO 0.02 -0.23 1.33 -1.83 -0.36 0.00 0.00 175.35 174.28 2jht s GLU 106 N -1.85 2.95 0.00 4.03 -1.05 -0.03 -3.14 118.70 119.62 2jht s GLU 106 Ca 0.50 2.16 0.00 0.00 -0.15 0.00 0.00 54.97 57.47 2jht s GLU 106 Cb -0.40 -2.11 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 2jht s GLU 106 CO 0.53 -1.32 0.00 0.41 0.95 0.00 0.00 175.26 175.83 2jht n GLY 107 N 0.77 2.02 3.84 -3.83 0.00 -0.89 -4.92 105.19 102.19 2jht n GLY 107 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.41 4.73 0.19 1.61 -7.23 -1.19 -4.53 120.40 110.57 2jht s VAL 108 Ca 0.00 0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 60.80 2jht s VAL 108 Cb 0.00 -3.70 -0.08 0.00 0.56 0.00 0.00 36.38 33.16 2jht s VAL 108 CO 0.00 0.03 0.94 -1.61 -0.31 0.00 0.00 175.10 174.15 2jht s GLU 109 N -2.47 4.79 0.18 4.82 2.02 -1.26 -0.63 118.70 126.15 2jht s GLU 109 Ca 0.46 1.46 -0.09 0.00 0.02 0.00 0.00 54.97 56.83 2jht s GLU 109 Cb -0.13 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.77 2jht s GLU 109 CO 0.19 0.40 0.31 1.52 0.02 0.00 0.00 175.26 177.71 2jht s TYR 110 N -0.72 0.45 0.06 1.61 1.13 -0.08 -4.64 117.35 115.15 2jht s TYR 110 Ca 0.43 -0.80 -0.01 0.00 -1.41 0.00 0.00 57.07 55.28 2jht s TYR 110 Cb -0.25 -0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.52 2jht s TYR 110 CO 0.31 -0.77 -0.03 1.03 -2.51 0.00 0.00 175.55 173.58 2jht s ARG 111 N -3.99 0.64 -0.07 -3.49 0.52 -0.60 -0.08 118.95 111.87 2jht s ARG 111 Ca 0.20 -1.23 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 2jht s ARG 111 Cb 0.03 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.64 2jht s ARG 111 CO 0.03 -0.10 -0.10 0.42 0.02 0.00 0.00 175.30 175.57 2jht s ILE 112 N -3.89 3.43 -0.11 1.52 1.01 -1.26 0.01 121.20 121.90 2jht s ILE 112 Ca 0.08 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2jht s ILE 112 Cb 0.08 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2jht s ILE 112 CO -0.09 0.58 -0.14 -0.75 0.00 0.00 0.00 174.94 174.54 2jht s LYS 113 N -0.59 2.14 -0.20 2.79 2.20 0.13 -0.85 119.74 125.36 2jht s LYS 113 Ca 0.09 -0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.12 2jht s LYS 113 Cb -0.12 -1.88 -0.03 0.00 -1.51 0.00 0.00 37.83 34.30 2jht s LYS 113 CO 0.02 -0.11 0.01 0.42 -0.36 0.00 0.00 175.35 175.32 2jht s ILE 114 N 1.14 4.07 -0.08 5.43 -1.09 -0.16 -0.88 121.20 129.64 2jht s ILE 114 Ca -0.04 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.08 2jht s ILE 114 Cb -0.14 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2jht s ILE 114 CO -0.04 0.43 0.05 -0.44 -1.23 0.00 0.00 174.94 173.70 2jht s SER 115 N 0.96 5.58 -0.01 3.58 0.01 -0.31 -0.63 113.70 122.88 2jht s SER 115 Ca 0.02 0.23 -0.26 0.00 1.31 0.00 0.00 55.95 57.25 2jht s SER 115 Cb -0.14 -1.64 0.06 0.00 0.21 0.00 0.00 66.02 64.50 2jht s SER 115 CO 0.02 0.37 0.57 0.72 0.41 0.00 0.00 173.24 175.34 2jht s PHE 116 N -0.96 -0.51 0.00 2.43 -0.71 -0.71 -0.45 117.98 117.07 2jht s PHE 116 Ca 0.15 0.77 0.06 0.00 -1.04 0.00 0.00 56.93 56.86 2jht s PHE 116 Cb -0.12 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 42.01 2jht s PHE 116 CO 0.04 -0.60 -0.16 1.03 -1.34 0.00 0.00 175.22 174.20 2jht s ARG 117 N -1.69 2.28 -0.10 1.99 0.52 0.56 -1.09 118.95 121.42 2jht s ARG 117 Ca -0.09 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.29 2jht s ARG 117 Cb -0.01 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 2jht s ARG 117 CO 0.05 0.58 -0.17 0.08 0.02 0.00 0.00 175.30 175.85 2jht s VAL 118 N -0.85 2.69 -0.03 3.52 1.01 -1.26 -0.67 120.40 124.81 2jht s VAL 118 Ca 0.14 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2jht s VAL 118 Cb -0.11 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 2jht s VAL 118 CO 0.04 0.55 -0.03 0.59 0.00 0.00 0.00 175.10 176.25 2jht n ASN 119 N 3.28 1.91 -0.12 3.32 3.02 -0.19 -2.36 115.26 124.12 2jht n ASN 119 Ca -0.18 0.01 -0.16 0.00 -0.03 0.00 0.00 54.58 54.22 2jht n ASN 119 Cb 0.53 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.53 2jht n ASN 119 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jht n ARG 120 N -2.86 0.59 -4.28 3.52 0.63 -1.26 -4.79 116.66 108.21 2jht n ARG 120 Ca -0.05 0.14 -0.15 0.00 -0.92 0.00 0.00 57.85 56.87 2jht n ARG 120 Cb 0.54 -1.47 -0.10 0.00 0.45 0.00 0.00 32.46 31.88 2jht n ARG 120 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2jht s GLU 121 N -2.47 1.35 0.38 -0.14 2.02 -1.26 -4.91 118.70 113.68 2jht s GLU 121 Ca -0.32 -1.73 -0.28 0.00 0.02 0.00 0.00 54.97 52.67 2jht s GLU 121 Cb 0.08 -0.12 -0.10 0.00 0.10 0.00 0.00 34.13 34.09 2jht s GLU 121 CO 0.55 -0.32 1.44 0.42 0.02 0.00 0.00 175.26 177.37 2jht s ILE 122 N -3.87 2.18 -0.12 -1.63 1.01 -1.26 -4.12 121.20 113.39 2jht s ILE 122 Ca 0.38 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 61.20 2jht s ILE 122 Cb 0.08 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 2jht s ILE 122 CO 0.13 0.04 -0.09 0.68 0.00 0.00 0.00 174.94 175.70 2jht s VAL 123 N -1.14 3.48 0.15 2.92 -7.23 -0.09 -4.98 120.40 113.50 2jht s VAL 123 Ca 0.54 -0.52 0.11 0.00 -1.81 0.00 0.00 61.98 60.29 2jht s VAL 123 Cb -0.45 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 2jht s VAL 123 CO 0.60 0.54 -0.24 -0.94 -0.31 0.00 0.00 175.10 174.74 2jht s SER 124 N -0.01 3.47 -1.50 4.85 1.04 -1.26 -0.62 113.70 119.67 2jht s SER 124 Ca -0.01 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 2jht s SER 124 Cb -0.14 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.70 2jht s SER 124 CO 0.03 0.16 0.75 0.61 0.98 0.00 0.00 173.24 175.78 2jht n GLY 125 N 0.70 -0.53 3.75 7.32 0.00 -1.14 -3.61 105.19 111.69 2jht n GLY 125 Ca -0.16 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.89 3.31 0.01 1.61 -1.94 0.07 -2.52 119.30 113.94 2jht s MET 126 Ca 0.39 2.24 0.01 0.00 -1.71 0.00 0.00 55.69 56.62 2jht s MET 126 Cb -0.17 -2.36 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 2jht s MET 126 CO 0.48 -1.06 -0.05 0.15 -0.01 0.00 0.00 175.02 174.53 2jht s LYS 127 N -2.79 0.38 -0.21 2.03 1.02 0.63 -0.67 119.74 120.13 2jht s LYS 127 Ca 0.69 -0.29 -0.05 0.00 0.02 0.00 0.00 55.97 56.34 2jht s LYS 127 Cb -0.40 -0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 36.58 2jht s LYS 127 CO 0.49 0.08 0.01 -0.47 -0.92 0.00 0.00 175.35 174.53 2jht s TYR 128 N -0.41 3.04 -0.08 3.18 5.04 -0.16 -0.67 117.35 127.29 2jht s TYR 128 Ca -0.01 -0.50 0.03 0.00 -2.44 0.00 0.00 57.07 54.14 2jht s TYR 128 Cb -0.04 -2.11 -0.02 0.00 0.35 0.00 0.00 41.96 40.15 2jht s TYR 128 CO -0.00 -0.29 -0.16 0.42 -1.34 0.00 0.00 175.55 174.18 2jht s ILE 129 N 1.14 2.86 -0.09 3.14 1.01 0.11 -0.06 121.20 129.30 2jht s ILE 129 Ca 0.03 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2jht s ILE 129 Cb -0.14 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.19 2jht s ILE 129 CO 0.01 0.56 -0.18 -1.10 0.00 0.00 0.00 174.94 174.24 2jht s GLN 130 N -0.19 2.40 -0.22 2.79 -0.21 -0.03 -0.61 119.66 123.59 2jht s GLN 130 Ca -0.01 -0.65 -0.03 0.00 0.02 0.00 0.00 55.36 54.69 2jht s GLN 130 Cb -0.13 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2jht s GLN 130 CO 0.03 0.08 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.21 2jht s HIS 131 N 0.59 2.96 -0.15 0.91 3.76 -0.09 -0.36 115.29 122.90 2jht s HIS 131 Ca -0.15 -1.13 -0.04 0.00 -0.15 0.00 0.00 55.06 53.59 2jht s HIS 131 Cb -0.17 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 2jht s HIS 131 CO 0.05 -0.61 -0.00 0.99 -0.85 0.00 0.00 174.74 174.31 2jht s THR 132 N 1.43 4.21 0.17 1.30 2.01 0.63 -0.57 115.64 124.82 2jht s THR 132 Ca 0.05 -0.25 0.10 0.00 0.31 0.00 0.00 61.69 61.90 2jht s THR 132 Cb -0.15 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 2jht s THR 132 CO -0.05 0.50 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.86 2jht s TYR 133 N 0.16 2.08 -0.06 4.92 1.51 0.81 -0.27 117.35 126.49 2jht s TYR 133 Ca 0.01 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2jht s TYR 133 Cb -0.13 -1.05 0.02 0.00 -0.11 0.00 0.00 41.96 40.69 2jht s TYR 133 CO 0.02 0.39 -0.03 0.50 -1.11 0.00 0.00 175.55 175.32 2jht s ARG 134 N -2.55 0.87 -1.30 -0.62 3.52 0.31 -0.94 118.95 118.23 2jht s ARG 134 Ca 0.17 -0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 55.68 2jht s ARG 134 Cb -0.08 -1.00 0.03 0.00 -1.56 0.00 0.00 34.95 32.34 2jht s ARG 134 CO 0.08 -0.18 0.08 0.25 -0.81 0.00 0.00 175.30 174.72 2jht n THR 135 N 4.57 -0.67 0.00 4.11 -2.24 -1.26 -0.68 114.28 118.11 2jht n THR 135 Ca -0.16 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2jht n THR 135 Cb 0.50 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.06 2.53 3.70 3.38 0.00 -1.26 -5.02 105.19 106.46 2jht n GLY 136 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2jht n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jht s VAL 137 N -2.19 5.15 0.16 1.61 1.01 0.15 -5.03 120.40 121.26 2jht s VAL 137 Ca 0.00 0.98 -0.32 0.00 0.00 0.00 0.00 61.98 62.64 2jht s VAL 137 Cb 0.00 -3.84 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 2jht s VAL 137 CO 0.00 0.26 1.58 -0.89 0.00 0.00 0.00 175.10 176.05 2jht s THR 138 N 1.06 2.60 -0.02 3.92 2.01 -1.26 -0.53 115.64 123.42 2jht s THR 138 Ca 0.26 0.42 0.04 0.00 0.31 0.00 0.00 61.69 62.72 2jht s THR 138 Cb -0.15 -3.27 -0.06 0.00 0.01 0.00 0.00 72.50 69.03 2jht s THR 138 CO 0.10 0.03 0.06 2.30 -0.69 0.00 0.00 174.62 176.43 2jht n ILE 139 N 4.00 0.10 -3.57 1.82 -5.35 0.63 -4.91 119.36 112.07 2jht n ILE 139 Ca 0.14 -0.12 -0.15 0.00 -0.27 0.00 0.00 62.75 62.34 2jht n ILE 139 Cb 0.38 -0.09 -0.06 0.00 -1.74 0.00 0.00 39.64 38.13 2jht n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jht s ASP 140 N -2.87 -0.67 -0.13 7.28 -1.08 -1.14 -5.00 116.67 113.06 2jht s ASP 140 Ca -0.02 1.00 0.00 0.00 -0.52 0.00 0.00 52.55 53.01 2jht s ASP 140 Cb 0.02 0.91 0.02 0.00 -1.46 0.00 0.00 42.92 42.41 2jht s ASP 140 CO 0.17 -0.43 -0.11 -0.89 0.52 0.00 0.00 175.17 174.43 2jht s THR 141 N -0.49 1.34 -0.06 1.71 2.01 -1.26 -0.27 115.64 118.63 2jht s THR 141 Ca -0.05 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.51 2jht s THR 141 Cb -0.02 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 2jht s THR 141 CO 0.05 0.42 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.31 2jht s THR 142 N 1.56 1.71 -0.07 -0.82 2.01 0.51 -4.99 115.64 115.54 2jht s THR 142 Ca 0.05 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.21 2jht s THR 142 Cb -0.13 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 2jht s THR 142 CO -0.09 0.48 -0.13 1.51 -0.69 0.00 0.00 174.62 175.70 2jht s ASP 143 N 0.03 4.08 -0.08 3.53 -4.77 -1.26 -0.85 116.67 117.35 2jht s ASP 143 Ca -0.06 -0.21 0.05 0.00 -3.30 0.00 0.00 52.55 49.03 2jht s ASP 143 Cb -0.13 -1.04 -0.01 0.00 -1.09 0.00 0.00 42.92 40.65 2jht s ASP 143 CO 0.03 0.31 -0.23 -0.31 0.70 0.00 0.00 175.17 175.67 2jht s TYR 144 N -0.50 2.52 -0.15 2.11 2.02 0.91 -4.99 117.35 119.28 2jht s TYR 144 Ca 0.07 -0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 55.67 2jht s TYR 144 Cb -0.12 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2jht s TYR 144 CO 0.02 -0.27 0.99 -1.64 -1.57 0.00 0.00 175.55 173.07 2jht s MET 145 N 0.03 4.36 -0.27 -0.62 -1.94 -1.26 -0.99 119.30 118.61 2jht s MET 145 Ca -0.09 1.32 -0.09 0.00 -1.71 0.00 0.00 55.69 55.12 2jht s MET 145 Cb -0.15 -3.57 -0.14 0.00 2.01 0.00 0.00 34.83 32.98 2jht s MET 145 CO 0.06 -0.39 -0.29 0.28 -0.01 0.00 0.00 175.02 174.66 2jht n VAL 146 N 4.77 1.52 0.00 -6.03 0.31 0.16 -4.95 118.33 114.11 2jht n VAL 146 Ca 0.09 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2jht n VAL 146 Cb 0.48 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 1.59 -0.26 3.69 2.92 0.00 -0.81 -4.91 105.19 107.40 2jht n GLY 147 Ca -0.51 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.01 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 5.17 0.00 1.61 0.01 -1.26 -0.75 113.70 114.48 2jht s SER 148 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2jht s SER 148 Cb 0.00 -1.38 -0.00 0.00 0.21 0.00 0.00 66.02 64.84 2jht s SER 148 CO 0.00 0.31 -0.02 -0.31 0.41 0.00 0.00 173.24 173.63 2jht s TYR 149 N -1.03 0.14 0.48 2.43 2.02 0.21 -4.99 117.35 116.60 2jht s TYR 149 Ca 0.18 -0.08 -0.04 0.00 -0.37 0.00 0.00 57.07 56.76 2jht s TYR 149 Cb -0.11 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.33 2jht s TYR 149 CO 0.08 -0.02 0.77 0.20 -1.57 0.00 0.00 175.55 175.00 2jht s GLY 150 N -0.21 1.50 0.34 0.71 0.00 -1.26 -0.91 107.32 107.49 2jht s GLY 150 Ca -0.01 -0.63 -0.27 0.00 0.00 0.00 0.00 44.72 43.80 2jht s GLY 150 CO -0.00 -0.46 1.18 2.56 0.00 0.00 0.00 173.10 176.38 2jht s PRO 151 N -4.71 4.32 0.22 2.90 0.04 -1.26 -4.77 135.00 131.74 2jht s PRO 151 Ca 0.48 1.91 -0.23 0.00 0.04 0.00 0.00 61.00 63.20 2jht s PRO 151 Cb -0.10 -2.93 0.04 0.00 0.04 0.00 0.00 34.50 31.55 2jht s PRO 151 CO 0.43 -0.11 0.77 -0.98 0.04 0.00 0.00 177.00 177.15 2jht s ARG 152 N -1.91 1.53 0.31 4.56 1.70 -1.00 -4.98 118.95 119.16 2jht s ARG 152 Ca 0.51 -0.80 0.06 0.00 -0.47 0.00 0.00 55.73 55.03 2jht s ARG 152 Cb -0.33 0.55 0.51 0.00 -0.57 0.00 0.00 34.95 35.11 2jht s ARG 152 CO 0.43 -0.70 1.75 0.00 -1.08 0.00 0.00 175.30 175.70 2jht h ALA 153 N 2.00 1.19 -2.68 7.88 0.00 -1.97 -3.41 119.26 122.26 2jht h ALA 153 Ca -0.22 -0.35 -0.52 0.00 0.00 0.00 0.00 54.91 53.81 2jht h ALA 153 Cb 1.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2jht h ALA 153 CO 0.26 0.53 0.24 -2.00 0.00 0.00 0.00 179.25 178.28 2jht s GLU 154 N -4.35 4.62 0.41 0.00 2.12 -1.26 -5.01 118.70 115.23 2jht s GLU 154 Ca -0.05 1.24 -0.26 0.00 0.36 0.00 0.00 54.97 56.26 2jht s GLU 154 Cb 0.14 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 31.12 2jht s GLU 154 CO 0.77 0.41 1.37 -2.00 -0.54 0.00 0.00 175.26 175.26 2jht s GLU 155 N -0.60 3.90 0.27 4.30 2.12 -1.26 -4.82 118.70 122.61 2jht s GLU 155 Ca 0.40 2.30 0.02 0.00 0.36 0.00 0.00 54.97 58.04 2jht s GLU 155 Cb -0.23 -2.76 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 2jht s GLU 155 CO 0.27 -0.60 0.44 0.71 -0.54 0.00 0.00 175.26 175.54 2jht s TYR 156 N -1.22 3.48 -0.03 5.30 2.02 -0.25 -4.96 117.35 121.69 2jht s TYR 156 Ca 0.57 0.22 0.02 0.00 -0.37 0.00 0.00 57.07 57.52 2jht s TYR 156 Cb -0.41 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2jht s TYR 156 CO 0.53 0.30 -0.07 -1.21 -1.57 0.00 0.00 175.55 173.54 2jht s GLU 157 N -3.91 0.89 -0.12 -0.62 2.02 -1.26 -1.73 118.70 113.96 2jht s GLU 157 Ca 0.38 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 55.15 2jht s GLU 157 Cb -0.10 -0.85 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 2jht s GLU 157 CO 0.32 0.02 -0.09 0.12 0.02 0.00 0.00 175.26 175.64 2jht s PHE 158 N 0.52 2.88 -0.12 1.61 5.36 0.20 -4.98 117.98 123.45 2jht s PHE 158 Ca -0.07 -0.38 -0.00 0.00 -0.96 0.00 0.00 56.93 55.51 2jht s PHE 158 Cb -0.11 -1.83 -0.02 0.00 -0.34 0.00 0.00 43.02 40.72 2jht s PHE 158 CO 0.01 -0.03 -0.11 -0.51 -1.46 0.00 0.00 175.22 173.12 2jht s LEU 159 N 0.05 2.87 0.79 6.12 1.43 -1.26 -0.98 118.68 127.70 2jht s LEU 159 Ca -0.03 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2jht s LEU 159 Cb -0.14 -1.65 0.07 0.00 0.03 0.00 0.00 46.19 44.50 2jht s LEU 159 CO 0.04 0.21 1.09 0.42 0.23 0.00 0.00 176.35 178.33 2jht s THR 160 N 0.12 3.24 0.95 5.49 -4.23 -0.03 -4.99 115.64 116.19 2jht s THR 160 Ca -0.05 0.40 -0.12 0.00 -1.18 0.00 0.00 61.69 60.74 2jht s THR 160 Cb -0.14 -2.95 0.16 0.00 1.34 0.00 0.00 72.50 70.90 2jht s THR 160 CO 0.04 -0.53 1.09 -2.16 -0.54 0.00 0.00 174.62 172.53 2jht s PRO 161 N -4.96 0.85 0.21 3.99 0.04 -1.26 -4.57 135.00 129.31 2jht s PRO 161 Ca 0.61 0.68 -0.32 0.00 0.04 0.00 0.00 61.00 62.01 2jht s PRO 161 Cb -0.17 -1.77 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 2jht s PRO 161 CO 0.56 -2.49 1.70 0.28 0.04 0.00 0.00 177.00 177.09 2jht n VAL 162 N -4.03 0.10 -4.29 -0.36 0.31 -1.26 -4.73 118.33 104.08 2jht n VAL 162 Ca 0.06 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.13 2jht n VAL 162 Cb 0.56 -1.95 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 2jht n VAL 162 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2jht s GLU 163 N 0.98 2.16 -0.07 5.55 0.41 0.88 -4.97 118.70 123.65 2jht s GLU 163 Ca 0.74 -1.64 0.05 0.00 -0.41 0.00 0.00 54.97 53.72 2jht s GLU 163 Cb -0.52 -2.02 -0.00 0.00 -1.78 0.00 0.00 34.13 29.81 2jht s GLU 163 CO 0.34 0.19 -0.23 -2.00 -0.49 0.00 0.00 175.26 173.07 2jht s GLU 164 N -3.72 2.61 0.31 1.61 2.12 -1.26 -0.90 118.70 119.46 2jht s GLU 164 Ca 0.34 -0.84 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 2jht s GLU 164 Cb -0.02 -2.11 -0.10 0.00 0.26 0.00 0.00 34.13 32.16 2jht s GLU 164 CO 0.20 0.28 1.34 0.00 -0.54 0.00 0.00 175.26 176.54 2jht s ALA 165 N 0.08 3.53 0.80 6.30 0.00 0.20 -4.95 121.76 127.72 2jht s ALA 165 Ca -0.10 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 2jht s ALA 165 Cb -0.15 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.54 2jht s ALA 165 CO 0.05 -0.68 1.09 -1.25 0.00 0.00 0.00 175.76 174.97 2jht s PRO 166 N -1.43 2.03 0.30 0.00 0.04 -1.26 -2.09 135.00 132.59 2jht s PRO 166 Ca 0.52 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.58 2jht s PRO 166 Cb -0.40 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 2jht s PRO 166 CO 0.51 -1.75 0.08 -1.59 0.04 0.00 0.00 177.00 174.29 2jht s LYS 167 N -4.95 1.55 0.00 4.56 -2.85 -1.26 -3.06 119.74 113.74 2jht s LYS 167 Ca 0.61 -1.86 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 2jht s LYS 167 Cb -0.17 -0.56 0.00 0.00 -2.06 0.00 0.00 37.83 35.04 2jht s LYS 167 CO 0.56 -0.26 0.00 0.41 0.10 0.00 0.00 175.35 176.16 2jht n GLY 168 N -0.59 0.68 0.22 0.59 0.00 -1.26 -4.47 105.19 100.35 2jht n GLY 168 Ca -0.01 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.10 2jht n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jht h MET 169 N 0.00 0.19 -0.51 1.61 -0.00 -1.99 -2.53 114.93 111.70 2jht h MET 169 Ca 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.63 2jht h MET 169 Cb 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 31.60 31.56 2jht h MET 169 CO 0.00 0.45 0.29 -0.07 -0.00 0.00 0.00 176.91 177.58 2jht h LEU 170 N 0.18 0.61 0.00 -0.10 3.38 -2.02 -3.19 115.31 114.17 2jht h LEU 170 Ca 0.03 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2jht h LEU 170 Cb 0.57 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2jht h LEU 170 CO 0.04 0.49 -1.00 0.00 0.09 0.00 0.00 178.44 178.06 2jht h ALA 171 N 1.61 0.58 -2.91 1.53 0.00 -1.68 -3.47 119.26 114.93 2jht h ALA 171 Ca 0.18 -0.81 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 2jht h ALA 171 Cb 0.01 0.04 0.10 0.00 0.00 0.00 0.00 17.79 17.93 2jht h ALA 171 CO -0.03 1.01 0.63 1.03 0.00 0.00 0.00 179.25 181.89 2jht s ARG 172 N -2.82 3.82 0.00 0.00 0.52 -1.14 -4.76 118.95 114.57 2jht s ARG 172 Ca 0.01 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 2jht s ARG 172 Cb 0.09 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.87 2jht s ARG 172 CO 0.79 -0.64 0.00 0.41 0.02 0.00 0.00 175.30 175.89 2jht n GLY 173 N 0.63 0.61 3.82 -3.53 0.00 -0.32 -4.94 105.19 101.45 2jht n GLY 173 Ca 0.05 -2.16 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.12 6.94 0.04 1.61 0.15 -1.26 -0.98 113.70 117.09 2jht s SER 174 Ca 0.00 1.12 0.07 0.00 0.70 0.00 0.00 55.95 57.84 2jht s SER 174 Cb 0.00 -2.31 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 2jht s SER 174 CO 0.00 0.30 -0.19 -0.31 1.20 0.00 0.00 173.24 174.23 2jht s TYR 175 N -1.08 1.69 -0.08 3.44 1.51 0.57 -4.32 117.35 119.07 2jht s TYR 175 Ca 0.26 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 2jht s TYR 175 Cb -0.18 -1.00 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 2jht s TYR 175 CO 0.16 0.08 -0.10 -1.12 -1.11 0.00 0.00 175.55 173.47 2jht s SER 176 N -1.20 4.39 -0.11 2.29 0.01 -0.11 -1.06 113.70 117.91 2jht s SER 176 Ca 0.06 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.21 2jht s SER 176 Cb -0.09 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 64.90 2jht s SER 176 CO 0.02 0.30 -0.18 -0.63 0.41 0.00 0.00 173.24 173.16 2jht s ILE 177 N -0.45 2.65 -0.30 1.44 1.09 0.11 -0.14 121.20 125.60 2jht s ILE 177 Ca 0.06 -0.82 -0.08 0.00 -1.10 0.00 0.00 60.65 58.72 2jht s ILE 177 Cb -0.12 -2.07 0.00 0.00 -1.06 0.00 0.00 42.46 39.21 2jht s ILE 177 CO 0.02 0.54 0.11 -0.54 -0.10 0.00 0.00 174.94 174.97 2jht s LYS 178 N 0.23 3.20 -0.08 2.79 1.02 0.26 -1.02 119.74 126.14 2jht s LYS 178 Ca -0.12 -0.80 -0.03 0.00 0.02 0.00 0.00 55.97 55.05 2jht s LYS 178 Cb -0.16 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 2jht s LYS 178 CO 0.06 -0.43 0.05 -1.12 -0.92 0.00 0.00 175.35 173.00 2jht s SER 179 N 1.55 5.60 -0.01 2.83 0.01 0.83 -0.91 113.70 123.59 2jht s SER 179 Ca 0.03 0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.53 2jht s SER 179 Cb -0.17 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.42 2jht s SER 179 CO 0.04 0.37 -0.01 -0.13 0.41 0.00 0.00 173.24 173.92 2jht s ARG 180 N -1.08 0.19 -0.23 12.44 0.52 0.22 -1.27 118.95 129.74 2jht s ARG 180 Ca 0.15 -0.00 -0.05 0.00 -0.52 0.00 0.00 55.73 55.31 2jht s ARG 180 Cb -0.12 -0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.07 2jht s ARG 180 CO 0.05 -0.03 -0.00 0.12 0.02 0.00 0.00 175.30 175.46 2jht s PHE 181 N 0.39 3.01 0.11 -0.53 2.19 -0.13 0.04 117.98 123.06 2jht s PHE 181 Ca -0.04 -0.71 0.02 0.00 0.33 0.00 0.00 56.93 56.54 2jht s PHE 181 Cb -0.06 -2.15 -0.01 0.00 -1.31 0.00 0.00 43.02 39.50 2jht s PHE 181 CO -0.01 -0.45 0.10 -2.37 1.83 0.00 0.00 175.22 174.32 2jht n THR 182 N 4.77 0.00 -4.04 0.12 5.66 0.16 -1.46 114.28 119.49 2jht n THR 182 Ca -0.17 -0.81 -0.06 0.00 -3.05 0.00 0.00 64.05 59.95 2jht n THR 182 Cb 0.51 0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 69.67 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 -2.52 -0.28 0.23 1.09 5.68 -1.24 -0.27 116.55 119.24 2jht n ASP 183 Ca 0.02 -1.74 0.14 0.00 -0.50 0.00 0.00 54.79 52.71 2jht n ASP 183 Cb 0.20 0.62 0.37 0.00 -1.14 0.00 0.00 41.12 41.17 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 0.70 0.00 0.52 -1.12 2.03 -1.55 -1.34 116.42 115.66 2jht h ASP 184 Ca -0.08 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 2jht h ASP 184 Cb 0.41 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 2jht h ASP 184 CO 0.12 0.00 0.00 0.47 -1.03 0.00 0.00 179.24 178.80 2jht n ASP 185 N -3.03 0.00 -0.19 4.15 9.92 -1.26 -4.92 116.55 121.22 2jht n ASP 185 Ca 0.03 0.25 -0.03 0.00 -0.53 0.00 0.00 54.79 54.52 2jht n ASP 185 Cb 0.44 -0.39 -0.01 0.00 -0.64 0.00 0.00 41.12 40.52 2jht n ASP 185 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2jht n LYS 186 N -1.39 -0.27 -1.85 -1.24 4.01 -0.50 -5.00 118.16 111.92 2jht n LYS 186 Ca 0.07 0.47 -0.42 0.00 -0.51 0.00 0.00 58.31 57.92 2jht n LYS 186 Cb 0.19 -4.00 -0.03 0.00 -0.51 0.00 0.00 35.03 30.68 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 -2.05 2.41 -1.28 -0.18 2.01 -1.26 -4.82 115.64 110.48 2jht s THR 187 Ca 0.00 0.27 -0.19 0.00 0.31 0.00 0.00 61.69 62.08 2jht s THR 187 Cb 0.00 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.36 2jht s THR 187 CO 0.00 0.02 1.82 -0.67 -0.69 0.00 0.00 174.62 175.10 2jht n ASP 188 N 4.11 4.42 0.32 3.53 2.03 -1.26 -3.70 116.55 125.99 2jht n ASP 188 Ca 0.15 -2.86 -0.17 0.00 0.52 0.00 0.00 54.79 52.43 2jht n ASP 188 Cb 0.37 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 38.96 2jht n ASP 188 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2jht h HIS 189 N 7.94 -0.85 -2.72 -0.67 3.86 -1.60 -3.44 115.15 117.67 2jht h HIS 189 Ca 0.41 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.50 2jht h HIS 189 Cb 0.87 0.30 -0.22 0.00 1.06 0.00 0.00 27.41 29.41 2jht h HIS 189 CO 1.38 -0.50 -0.17 -1.17 0.86 0.00 0.00 177.93 178.32 2jht s LEU 190 N -10.10 0.39 0.01 2.43 2.96 -1.16 -4.81 118.68 108.40 2jht s LEU 190 Ca -0.17 0.55 0.07 0.00 -0.22 0.00 0.00 54.13 54.36 2jht s LEU 190 Cb 0.04 1.56 -0.02 0.00 0.50 0.00 0.00 46.19 48.27 2jht s LEU 190 CO 0.62 -0.33 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.68 2jht s SER 191 N -0.57 2.36 0.19 3.68 0.01 -1.26 -0.95 113.70 117.14 2jht s SER 191 Ca -0.07 -0.43 -0.21 0.00 1.31 0.00 0.00 55.95 56.55 2jht s SER 191 Cb -0.03 -0.23 0.05 0.00 0.21 0.00 0.00 66.02 66.02 2jht s SER 191 CO 0.03 0.20 0.59 -1.66 0.41 0.00 0.00 173.24 172.81 2jht s TRP 192 N -0.62 -0.36 -0.01 2.43 -2.14 -0.40 -5.01 118.94 112.83 2jht s TRP 192 Ca 0.07 0.07 0.04 0.00 2.66 0.00 0.00 56.10 58.94 2jht s TRP 192 Cb -0.08 0.53 -0.01 0.00 -3.10 0.00 0.00 33.47 30.81 2jht s TRP 192 CO 0.00 -0.92 -0.11 -2.00 -2.66 0.00 0.00 176.95 171.26 2jht s GLU 193 N -3.81 0.91 0.28 3.25 2.12 -1.26 -0.12 118.70 120.07 2jht s GLU 193 Ca 0.05 -0.43 -0.14 0.00 0.36 0.00 0.00 54.97 54.81 2jht s GLU 193 Cb -0.02 -0.88 0.01 0.00 0.26 0.00 0.00 34.13 33.50 2jht s GLU 193 CO -0.07 0.24 0.57 1.67 -0.54 0.00 0.00 175.26 177.12 2jht s TRP 194 N -0.31 0.28 0.04 5.30 1.48 -0.19 -4.05 118.94 121.49 2jht s TRP 194 Ca 0.04 -0.69 0.05 0.00 -1.06 0.00 0.00 56.10 54.45 2jht s TRP 194 Cb -0.05 0.35 -0.02 0.00 -1.16 0.00 0.00 33.47 32.59 2jht s TRP 194 CO -0.00 -1.13 -0.16 -0.80 -4.06 0.00 0.00 176.95 170.80 2jht s ASN 195 N -3.02 1.87 -0.03 -2.66 0.01 -1.26 0.06 114.94 109.90 2jht s ASN 195 Ca 0.20 -0.47 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 2jht s ASN 195 Cb -0.02 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.51 2jht s ASN 195 CO 0.10 0.07 -0.12 -0.22 -1.51 0.00 0.00 177.10 175.42 2jht s LEU 196 N -1.14 1.82 -0.19 0.60 2.96 -0.22 -1.43 118.68 121.08 2jht s LEU 196 Ca 0.03 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.68 2jht s LEU 196 Cb -0.08 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.90 2jht s LEU 196 CO 0.01 0.09 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.10 2jht s THR 197 N 0.17 2.53 -0.17 3.68 2.01 0.14 -0.31 115.64 123.69 2jht s THR 197 Ca -0.04 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.00 2jht s THR 197 Cb -0.10 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 2jht s THR 197 CO 0.01 0.50 0.45 -0.63 -0.69 0.00 0.00 174.62 174.26 2jht s ILE 198 N 1.26 5.18 0.26 1.82 -1.09 -0.15 -1.54 121.20 126.94 2jht s ILE 198 Ca 0.03 0.84 0.02 0.00 -2.23 0.00 0.00 60.65 59.32 2jht s ILE 198 Cb -0.14 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 2jht s ILE 198 CO -0.08 0.27 0.05 -0.54 -1.23 0.00 0.00 174.94 173.41 2jht s LYS 199 N 1.07 1.41 0.27 2.79 1.02 -0.62 -1.18 119.74 124.50 2jht s LYS 199 Ca 0.22 -1.75 0.03 0.00 0.02 0.00 0.00 55.97 54.49 2jht s LYS 199 Cb -0.15 -0.49 0.38 0.00 -0.52 0.00 0.00 37.83 37.05 2jht s LYS 199 CO 0.09 -0.20 1.69 -0.22 -0.92 0.00 0.00 175.35 175.79 2jht h LYS 200 N 2.38 0.44 -4.30 1.68 3.64 -1.96 -0.03 116.57 118.42 2jht h LYS 200 Ca -0.39 -0.19 -0.21 0.00 -1.27 0.00 0.00 60.65 58.59 2jht h LYS 200 Cb 1.24 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 2jht h LYS 200 CO 0.64 0.71 -0.42 -0.51 -2.27 0.00 0.00 179.45 177.60 2jht s ASP 201 N -6.84 0.30 0.00 4.20 1.01 -1.26 -4.52 116.67 109.56 2jht s ASP 201 Ca -0.06 -1.30 0.32 0.00 0.71 0.00 0.00 52.55 52.21 2jht s ASP 201 Cb 0.13 0.48 1.90 0.00 1.01 0.00 0.00 42.92 46.45 2jht s ASP 201 CO 0.79 -0.99 2.22 0.79 0.21 0.00 0.00 175.17 178.19