#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 -1.69 0.00 0.00 -1.26 -5.12 117.12 109.06 2jht n MET 66 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 57.70 57.15 2jht n MET 66 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 2jht n MET 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2jht n VAL 67 N 0.00 0.28 -1.70 1.12 0.31 -1.26 -4.93 118.33 112.16 2jht n VAL 67 Ca 0.00 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 2jht n VAL 67 Cb 0.00 -1.24 -0.03 0.00 -0.91 0.00 0.00 33.84 31.65 2jht n VAL 67 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jht n PRO 68 N 5.02 2.68 -0.25 5.55 -0.02 -1.26 -4.92 135.00 141.80 2jht n PRO 68 Ca 0.24 0.97 -0.02 0.00 -2.02 0.00 0.00 63.50 62.68 2jht n PRO 68 Cb 0.16 -2.83 0.10 0.00 -0.02 0.00 0.00 33.50 30.90 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 7.70 0.67 -3.54 2.55 -1.24 -1.95 -3.41 115.58 116.37 2jht h ASN 69 Ca -0.45 0.01 -0.67 0.00 0.71 0.00 0.00 56.30 55.90 2jht h ASN 69 Cb 1.22 -0.12 -0.29 0.00 0.73 0.00 0.00 38.32 39.86 2jht h ASN 69 CO 0.94 0.45 -0.82 -0.69 -1.29 0.00 0.00 177.43 176.02 2jht s VAL 70 N -6.10 2.59 -0.17 2.57 1.01 -1.26 -0.35 120.40 118.69 2jht s VAL 70 Ca -0.13 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2jht s VAL 70 Cb 0.16 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.55 2jht s VAL 70 CO 0.77 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 175.65 2jht s VAL 71 N 0.13 1.30 -0.05 2.92 1.01 -0.85 -4.96 120.40 119.89 2jht s VAL 71 Ca -0.09 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 2jht s VAL 71 Cb -0.15 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2jht s VAL 71 CO 0.06 0.19 1.13 -0.69 0.00 0.00 0.00 175.10 175.79 2jht s VAL 72 N 1.56 4.43 -0.06 2.92 1.01 -1.26 -1.29 120.40 127.71 2jht s VAL 72 Ca 0.01 1.73 0.07 0.00 0.00 0.00 0.00 61.98 63.80 2jht s VAL 72 Cb -0.15 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 2jht s VAL 72 CO -0.08 0.03 0.07 0.35 0.00 0.00 0.00 175.10 175.46 2jht n THR 73 N 4.46 0.40 -3.65 3.92 -2.24 -0.25 -4.30 114.28 112.63 2jht n THR 73 Ca 0.10 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 2jht n THR 73 Cb 0.47 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.12 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 -3.71 -0.54 -0.10 3.38 0.00 -1.07 -1.09 107.32 104.19 2jht s GLY 74 Ca -0.04 2.04 -0.02 0.00 0.00 0.00 0.00 44.72 46.70 2jht s GLY 74 CO 0.33 1.86 -0.04 -2.27 0.00 0.00 0.00 173.10 172.98 2jht s LEU 75 N 0.76 3.33 -0.02 0.66 0.20 -0.77 -0.34 118.68 122.49 2jht s LEU 75 Ca -0.03 -0.01 0.02 0.00 0.69 0.00 0.00 54.13 54.80 2jht s LEU 75 Cb -0.05 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 43.96 2jht s LEU 75 CO -0.05 0.30 -0.06 -0.89 -0.29 0.00 0.00 176.35 175.36 2jht s THR 76 N -0.42 0.56 -0.67 3.68 2.01 0.21 0.12 115.64 121.13 2jht s THR 76 Ca 0.07 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 2jht s THR 76 Cb -0.12 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 71.93 2jht s THR 76 CO 0.02 0.19 1.00 -0.76 -0.69 0.00 0.00 174.62 174.38 2jht s LEU 77 N 0.35 4.27 -0.66 4.42 1.43 -0.01 -0.60 118.68 127.88 2jht s LEU 77 Ca -0.04 -0.95 -0.27 0.00 -1.03 0.00 0.00 54.13 51.83 2jht s LEU 77 Cb -0.09 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.73 2jht s LEU 77 CO 0.00 -1.48 1.30 -0.69 0.23 0.00 0.00 176.35 175.71 2jht s VAL 78 N 4.22 3.80 -0.15 -1.59 1.01 0.39 -4.53 120.40 123.54 2jht s VAL 78 Ca 0.24 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 2jht s VAL 78 Cb -0.16 -4.76 0.05 0.00 0.00 0.00 0.00 36.38 31.51 2jht s VAL 78 CO 0.10 -1.58 0.05 0.00 0.00 0.00 0.00 175.10 173.68 2jht h SER 80 N 8.34 0.00 1.80 0.00 4.64 -1.93 -2.11 113.55 124.29 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 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2jht h SER 80 CO 0.29 0.10 -0.05 0.28 -0.87 0.00 0.00 176.83 176.58 2jht h SER 81 N 0.00 0.00 -2.40 4.97 0.02 -1.95 -3.46 113.55 110.73 2jht h SER 81 Ca -0.00 -0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.40 2jht h SER 81 Cb 0.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.82 2jht h SER 81 CO 0.01 0.00 1.23 0.00 -1.14 0.00 0.00 176.83 176.93 2jht s ALA 82 N -3.19 3.47 0.36 3.77 0.00 -0.80 -4.90 121.76 120.47 2jht s ALA 82 Ca 0.08 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.26 2jht s ALA 82 Cb 0.07 -3.85 0.83 0.00 0.00 0.00 0.00 23.12 20.17 2jht s ALA 82 CO 0.66 -1.71 1.86 -1.00 0.00 0.00 0.00 175.76 175.57 2jht h PRO 83 N 10.92 0.65 -5.26 0.00 0.13 -1.89 -3.44 132.00 133.12 2jht h PRO 83 Ca -0.45 -0.04 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 2jht h PRO 83 Cb 1.22 -0.15 -0.13 0.00 0.13 0.00 0.00 31.00 32.07 2jht h PRO 83 CO 0.95 0.43 -0.57 0.20 -0.23 0.00 0.00 178.00 178.78 2jht s GLY 84 N -3.69 2.44 0.45 1.56 0.00 -1.26 -5.13 107.32 101.69 2jht s GLY 84 Ca -0.10 -1.63 -0.24 0.00 0.00 0.00 0.00 44.72 42.75 2jht s GLY 84 CO 0.79 -1.94 1.22 -4.14 0.00 0.00 0.00 173.10 169.03 2jht s PRO 85 N -3.81 3.77 -0.32 2.90 0.02 -1.26 -5.02 135.00 131.27 2jht s PRO 85 Ca 0.28 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.24 2jht s PRO 85 Cb 0.06 -2.50 0.10 0.00 0.02 0.00 0.00 34.50 32.18 2jht s PRO 85 CO 0.14 -0.58 0.07 -0.51 -0.33 0.00 0.00 177.00 175.78 2jht s LEU 86 N -2.88 3.41 -0.05 -5.54 1.43 -1.26 -5.10 118.68 108.69 2jht s LEU 86 Ca 0.62 -1.85 -0.10 0.00 -1.03 0.00 0.00 54.13 51.77 2jht s LEU 86 Cb -0.32 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2jht s LEU 86 CO 0.40 -0.39 0.25 -1.61 0.23 0.00 0.00 176.35 175.23 2jht s GLU 87 N 1.28 0.46 -0.14 1.70 2.02 -1.26 -0.83 118.70 121.93 2jht s GLU 87 Ca 0.09 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2jht s GLU 87 Cb -0.18 0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.25 2jht s GLU 87 CO -0.16 -0.10 -0.15 -0.51 0.02 0.00 0.00 175.26 174.36 2jht s LEU 88 N -0.65 2.58 -0.62 1.80 1.43 0.32 -4.99 118.68 118.55 2jht s LEU 88 Ca -0.07 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 52.35 2jht s LEU 88 Cb -0.04 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.63 2jht s LEU 88 CO 0.02 0.13 1.26 -1.81 0.23 0.00 0.00 176.35 176.18 2jht s ASP 89 N 0.55 6.30 0.00 2.29 -0.00 -1.26 -1.85 116.67 122.70 2jht s ASP 89 Ca -0.09 -0.01 0.19 0.00 -0.00 0.00 0.00 52.55 52.63 2jht s ASP 89 Cb -0.16 -2.55 0.79 0.00 -0.00 0.00 0.00 42.92 41.00 2jht s ASP 89 CO 0.04 -1.63 1.55 0.18 -0.00 0.00 0.00 175.17 175.31 2jht n LEU 90 N 8.94 1.17 0.05 1.23 4.77 -0.25 -3.20 117.00 129.70 2jht n LEU 90 Ca 0.08 -0.50 0.12 0.00 -0.03 0.00 0.00 56.01 55.68 2jht n LEU 90 Cb 0.49 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.59 2jht n LEU 90 CO 0.71 0.25 0.16 0.35 -1.33 0.00 0.00 177.39 177.53 2jht n THR 91 N 0.00 0.29 -0.24 -5.08 -2.24 -1.25 -4.79 114.28 100.97 2jht n THR 91 Ca 0.15 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2jht n THR 91 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.34 0.97 3.59 3.38 0.00 -1.19 -4.98 105.19 108.29 2jht n GLY 92 Ca 0.02 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.00 6.48 0.38 1.61 -1.08 -1.26 -4.90 116.67 116.91 2jht s ASP 93 Ca 0.00 0.25 0.20 0.00 -0.52 0.00 0.00 52.55 52.48 2jht s ASP 93 Cb 0.00 -2.55 0.69 0.00 -1.46 0.00 0.00 42.92 39.59 2jht s ASP 93 CO 0.00 -1.42 1.73 -0.07 0.52 0.00 0.00 175.17 175.93 2jht h LEU 94 N 11.79 0.00 -1.64 -1.34 3.38 -1.93 -3.14 115.31 122.43 2jht h LEU 94 Ca -0.25 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2jht h LEU 94 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2jht h LEU 94 CO 1.17 0.34 -0.17 -0.33 0.09 0.00 0.00 178.44 179.54 2jht h GLU 95 N 0.00 0.00 -0.38 1.13 3.07 -1.94 -2.71 114.58 113.74 2jht h GLU 95 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2jht h GLU 95 Cb 0.90 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 2jht h GLU 95 CO 0.04 0.17 -0.13 0.66 -1.40 0.00 0.00 179.01 178.35 2jht h SER 96 N 0.00 0.68 0.00 1.42 4.64 -1.96 -3.05 113.55 115.28 2jht h SER 96 Ca -0.00 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2jht h SER 96 Cb 0.48 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2jht h SER 96 CO 0.02 0.83 -0.00 -0.26 -0.87 0.00 0.00 176.83 176.56 2jht h PHE 97 N 0.62 0.00 0.00 4.77 0.04 -1.65 -2.15 116.94 118.57 2jht h PHE 97 Ca 0.10 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 2jht h PHE 97 Cb 0.59 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 2jht h PHE 97 CO 0.03 0.00 -0.02 0.87 -0.60 0.00 0.00 178.31 178.59 2jht h LYS 98 N 0.00 0.00 -0.49 1.51 1.57 -1.67 -1.28 116.57 116.20 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jht h LYS 98 CO 0.00 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 2jht n LYS 99 N -3.22 3.21 -4.43 3.15 5.02 -0.81 -4.95 118.16 116.13 2jht n LYS 99 Ca -0.02 -2.60 -0.22 0.00 -2.02 0.00 0.00 58.31 53.46 2jht n LYS 99 Cb 0.16 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 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 -1.66 1.56 0.00 1.97 -0.21 -0.49 -5.17 119.66 115.67 2jht s GLN 100 Ca 0.41 -1.73 -0.03 0.00 0.02 0.00 0.00 55.36 54.02 2jht s GLN 100 Cb 0.26 -1.47 -0.01 0.00 1.00 0.00 0.00 33.01 32.79 2jht s GLN 100 CO 0.20 0.22 0.05 0.45 -2.12 0.00 0.00 175.29 174.10 2jht s SER 101 N -3.45 0.08 0.25 5.90 0.15 -1.26 -4.00 113.70 111.37 2jht s SER 101 Ca 0.28 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2jht s SER 101 Cb -0.02 0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 2jht s SER 101 CO 0.12 -0.24 0.43 -0.36 1.20 0.00 0.00 173.24 174.40 2jht s PHE 102 N -0.99 3.48 -0.12 3.44 0.08 -0.29 -4.96 117.98 118.62 2jht s PHE 102 Ca -0.11 0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.25 2jht s PHE 102 Cb -0.06 -1.82 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 2jht s PHE 102 CO 0.00 0.31 -0.19 0.08 -0.10 0.00 0.00 175.22 175.32 2jht s VAL 103 N -2.02 2.45 -0.04 -0.44 1.01 -1.26 0.14 120.40 120.25 2jht s VAL 103 Ca 0.38 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2jht s VAL 103 Cb -0.10 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2jht s VAL 103 CO 0.31 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 175.00 2jht s LEU 104 N 0.49 2.43 0.21 3.92 1.43 -0.43 -4.96 118.68 121.77 2jht s LEU 104 Ca -0.13 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 2jht s LEU 104 Cb -0.17 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.51 2jht s LEU 104 CO 0.05 0.33 1.20 -0.75 0.23 0.00 0.00 176.35 177.41 2jht s LYS 105 N -0.64 4.49 0.35 1.70 2.20 -1.26 -1.46 119.74 125.12 2jht s LYS 105 Ca 0.10 1.90 -0.26 0.00 -0.36 0.00 0.00 55.97 57.35 2jht s LYS 105 Cb -0.11 -3.22 -0.12 0.00 -1.51 0.00 0.00 37.83 32.87 2jht s LYS 105 CO 0.00 -0.07 1.04 -0.85 -0.36 0.00 0.00 175.35 175.12 2jht n GLU 106 N 2.23 1.46 0.00 4.03 0.28 -0.57 -3.16 120.64 124.91 2jht n GLU 106 Ca 0.03 0.52 0.00 0.00 -0.16 0.00 0.00 57.16 57.55 2jht n GLU 106 Cb 0.44 -1.99 0.00 0.00 1.43 0.00 0.00 31.44 31.32 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 1.14 3.26 3.80 -1.84 0.00 -0.85 -4.93 105.19 105.77 2jht n GLY 107 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.06 3.79 0.35 1.61 -7.23 -1.19 -4.41 120.40 111.27 2jht s VAL 108 Ca 0.00 0.82 -0.23 0.00 -1.81 0.00 0.00 61.98 60.76 2jht s VAL 108 Cb 0.00 -3.36 -0.10 0.00 0.56 0.00 0.00 36.38 33.48 2jht s VAL 108 CO 0.00 -0.53 0.92 -1.61 -0.31 0.00 0.00 175.10 173.57 2jht s GLU 109 N -4.17 4.40 0.35 4.82 2.02 -1.26 -0.58 118.70 124.28 2jht s GLU 109 Ca 0.63 1.19 -0.05 0.00 0.02 0.00 0.00 54.97 56.76 2jht s GLU 109 Cb -0.16 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.52 2jht s GLU 109 CO 0.39 0.17 0.53 1.52 0.02 0.00 0.00 175.26 177.89 2jht s TYR 110 N -1.83 0.90 0.02 1.61 1.13 -0.69 -4.57 117.35 113.91 2jht s TYR 110 Ca 0.54 -1.20 -0.26 0.00 -1.41 0.00 0.00 57.07 54.74 2jht s TYR 110 Cb -0.15 0.08 0.06 0.00 -1.10 0.00 0.00 41.96 40.85 2jht s TYR 110 CO 0.19 -1.21 0.60 0.50 -2.51 0.00 0.00 175.55 173.12 2jht s ARG 111 N -2.94 1.07 -0.18 -3.49 3.52 -0.83 -1.21 118.95 114.89 2jht s ARG 111 Ca 0.28 -0.04 -0.02 0.00 -0.13 0.00 0.00 55.73 55.82 2jht s ARG 111 Cb -0.01 0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 2jht s ARG 111 CO 0.19 -0.37 -0.11 0.42 -0.81 0.00 0.00 175.30 174.62 2jht s ILE 112 N -2.03 3.01 -0.18 4.11 1.01 -1.26 -0.46 121.20 125.40 2jht s ILE 112 Ca -0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 2jht s ILE 112 Cb -0.01 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2jht s ILE 112 CO 0.02 0.48 0.01 -0.75 0.00 0.00 0.00 174.94 174.71 2jht s LYS 113 N 1.00 3.77 -0.17 2.79 2.20 0.23 -1.07 119.74 128.50 2jht s LYS 113 Ca -0.01 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 2jht s LYS 113 Cb -0.15 -3.08 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 2jht s LYS 113 CO -0.01 0.19 -0.18 0.42 -0.36 0.00 0.00 175.35 175.40 2jht s ILE 114 N 0.55 2.26 -0.09 5.43 1.01 0.10 -0.61 121.20 129.85 2jht s ILE 114 Ca -0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2jht s ILE 114 Cb -0.14 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2jht s ILE 114 CO 0.02 0.53 0.12 -0.44 0.00 0.00 0.00 174.94 175.17 2jht s SER 115 N 1.13 6.19 0.09 3.58 0.01 0.54 -0.20 113.70 125.04 2jht s SER 115 Ca 0.01 0.39 -0.25 0.00 1.31 0.00 0.00 55.95 57.40 2jht s SER 115 Cb -0.14 -1.95 0.07 0.00 0.21 0.00 0.00 66.02 64.20 2jht s SER 115 CO -0.08 0.38 0.62 0.72 0.41 0.00 0.00 173.24 175.29 2jht s PHE 116 N -1.06 -0.57 0.10 2.43 -0.71 -0.49 -1.09 117.98 116.59 2jht s PHE 116 Ca 0.17 0.58 0.09 0.00 -1.04 0.00 0.00 56.93 56.73 2jht s PHE 116 Cb -0.12 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.16 2jht s PHE 116 CO 0.06 -0.76 -0.24 -0.98 -1.34 0.00 0.00 175.22 171.96 2jht s ARG 117 N -2.89 1.34 -0.15 1.99 1.70 -0.41 0.68 118.95 121.21 2jht s ARG 117 Ca -0.03 -1.19 0.01 0.00 -0.47 0.00 0.00 55.73 54.05 2jht s ARG 117 Cb -0.01 -1.65 0.00 0.00 -0.57 0.00 0.00 34.95 32.72 2jht s ARG 117 CO -0.05 0.40 -0.17 0.08 -1.08 0.00 0.00 175.30 174.47 2jht s VAL 118 N -1.03 2.48 -0.26 4.99 1.01 -1.26 -2.01 120.40 124.32 2jht s VAL 118 Ca 0.10 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2jht s VAL 118 Cb -0.10 -2.03 -0.17 0.00 0.00 0.00 0.00 36.38 34.08 2jht s VAL 118 CO 0.04 0.52 -0.22 0.59 0.00 0.00 0.00 175.10 176.04 2jht n ASN 119 N 4.08 1.98 0.00 3.32 3.02 0.53 -1.54 115.26 126.65 2jht n ASN 119 Ca -0.19 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 2jht n ASN 119 Cb 0.52 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 -3.31 2.83 -3.66 3.52 1.74 -1.26 -4.72 116.66 111.80 2jht n ARG 120 Ca -0.46 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.48 2jht n ARG 120 Cb 0.99 -0.89 -0.08 0.00 -1.02 0.00 0.00 32.46 31.46 2jht n ARG 120 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2jht s GLU 121 N -1.74 0.74 0.45 5.56 2.12 -1.26 -4.83 118.70 119.73 2jht s GLU 121 Ca 0.00 0.67 -0.25 0.00 0.36 0.00 0.00 54.97 55.75 2jht s GLU 121 Cb 0.00 0.36 -0.09 0.00 0.26 0.00 0.00 34.13 34.66 2jht s GLU 121 CO 0.00 -0.12 1.40 -0.89 -0.54 0.00 0.00 175.26 175.10 2jht n ILE 122 N 2.39 2.75 -5.10 -3.70 5.41 -1.26 -4.41 119.36 115.45 2jht n ILE 122 Ca -0.15 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 62.78 2jht n ILE 122 Cb 0.56 -1.78 -0.15 0.00 -0.71 0.00 0.00 39.64 37.56 2jht n ILE 122 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2jht s VAL 123 N -1.19 2.50 -0.13 1.39 1.01 -0.47 -4.99 120.40 118.52 2jht s VAL 123 Ca 0.61 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2jht s VAL 123 Cb -0.46 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2jht s VAL 123 CO 0.58 0.57 -0.05 -0.44 0.00 0.00 0.00 175.10 175.76 2jht s SER 124 N -0.41 4.71 -0.63 3.32 0.01 -1.26 -1.33 113.70 118.11 2jht s SER 124 Ca 0.04 -0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 2jht s SER 124 Cb -0.12 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2jht s SER 124 CO 0.02 0.22 0.54 0.61 0.41 0.00 0.00 173.24 175.03 2jht n GLY 125 N 3.20 0.26 3.63 3.44 0.00 -1.06 -2.89 105.19 111.76 2jht n GLY 125 Ca -0.18 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2jht n GLY 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jht n MET 126 N -2.58 0.82 -3.67 1.61 2.81 -0.20 -3.20 117.12 112.70 2jht n MET 126 Ca 0.00 0.33 -0.14 0.00 -1.81 0.00 0.00 57.70 56.08 2jht n MET 126 Cb 0.53 -2.24 -0.08 0.00 -0.71 0.00 0.00 33.22 30.72 2jht n MET 126 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2jht s LYS 127 N -3.01 0.70 -0.15 0.03 -2.85 0.40 -0.76 119.74 114.10 2jht s LYS 127 Ca 0.77 0.65 -0.02 0.00 -1.00 0.00 0.00 55.97 56.37 2jht s LYS 127 Cb -0.39 0.34 -0.02 0.00 -2.06 0.00 0.00 37.83 35.70 2jht s LYS 127 CO 0.46 -0.11 -0.08 -0.47 0.10 0.00 0.00 175.35 175.25 2jht s TYR 128 N 0.02 2.92 -0.14 1.78 5.04 -0.09 -1.27 117.35 125.62 2jht s TYR 128 Ca -0.02 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.15 2jht s TYR 128 Cb -0.04 -1.91 0.02 0.00 0.35 0.00 0.00 41.96 40.38 2jht s TYR 128 CO 0.02 -0.13 -0.17 0.42 -1.34 0.00 0.00 175.55 174.35 2jht s ILE 129 N 0.38 1.73 -0.13 3.14 1.01 -0.11 0.97 121.20 128.19 2jht s ILE 129 Ca -0.07 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.85 2jht s ILE 129 Cb -0.15 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.75 2jht s ILE 129 CO 0.04 0.49 -0.22 -1.58 0.00 0.00 0.00 174.94 173.67 2jht s GLN 130 N 1.18 3.04 -0.20 2.79 0.74 -0.06 -0.27 119.66 126.89 2jht s GLN 130 Ca -0.01 -0.85 -0.05 0.00 0.05 0.00 0.00 55.36 54.50 2jht s GLN 130 Cb -0.14 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 31.52 2jht s GLN 130 CO -0.07 0.02 0.00 -1.01 -0.55 0.00 0.00 175.29 173.69 2jht s HIS 131 N 0.73 3.04 -0.13 1.67 3.76 0.29 -1.58 115.29 123.07 2jht s HIS 131 Ca -0.09 -0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 54.36 2jht s HIS 131 Cb -0.16 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 2jht s HIS 131 CO 0.00 -0.23 -0.09 0.99 -0.85 0.00 0.00 174.74 174.56 2jht s THR 132 N 0.97 3.40 0.13 1.30 2.01 0.99 -1.17 115.64 123.27 2jht s THR 132 Ca 0.02 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 61.55 2jht s THR 132 Cb -0.14 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2jht s THR 132 CO 0.02 0.53 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.97 2jht s TYR 133 N 0.15 1.79 -0.30 4.92 1.51 0.10 -0.23 117.35 125.29 2jht s TYR 133 Ca -0.05 -0.44 -0.15 0.00 -1.01 0.00 0.00 57.07 55.42 2jht s TYR 133 Cb -0.14 -0.94 0.18 0.00 -0.11 0.00 0.00 41.96 40.94 2jht s TYR 133 CO 0.04 0.26 1.09 0.50 -1.11 0.00 0.00 175.55 176.33 2jht s ARG 134 N -2.33 0.19 -0.44 -0.62 3.52 -0.45 -1.32 118.95 117.49 2jht s ARG 134 Ca 0.11 0.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.17 2jht s ARG 134 Cb -0.08 0.24 0.19 0.00 -1.56 0.00 0.00 34.95 33.74 2jht s ARG 134 CO 0.05 -0.12 0.40 0.25 -0.81 0.00 0.00 175.30 175.08 2jht n THR 135 N 5.08 -0.74 0.00 4.11 -2.24 -1.26 -3.93 114.28 115.30 2jht n THR 135 Ca -0.08 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 57.97 2jht n THR 135 Cb 0.54 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 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 2.40 1.37 3.55 3.38 0.00 -1.26 -5.06 105.19 109.58 2jht n GLY 136 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.31 3.77 0.14 1.61 1.01 -1.25 -5.06 120.40 118.31 2jht s VAL 137 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 2jht s VAL 137 Cb 0.00 -2.58 -0.10 0.00 0.00 0.00 0.00 36.38 33.70 2jht s VAL 137 CO 0.00 0.56 1.66 -0.89 0.00 0.00 0.00 175.10 176.43 2jht s THR 138 N -0.40 2.62 -0.11 3.92 2.01 -1.26 -1.34 115.64 121.08 2jht s THR 138 Ca 0.06 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.40 2jht s THR 138 Cb -0.12 -3.21 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 2jht s THR 138 CO 0.02 0.01 -0.08 2.30 -0.69 0.00 0.00 174.62 176.18 2jht n ILE 139 N 4.29 0.61 -3.82 1.82 -5.35 0.68 -4.91 119.36 112.68 2jht n ILE 139 Ca 0.15 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 2jht n ILE 139 Cb 0.38 -0.87 -0.11 0.00 -1.74 0.00 0.00 39.64 37.30 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 -4.96 -0.14 -0.10 7.28 -1.08 -1.03 -5.01 116.67 111.64 2jht s ASP 140 Ca -0.14 0.21 0.03 0.00 -0.52 0.00 0.00 52.55 52.13 2jht s ASP 140 Cb 0.04 0.35 0.01 0.00 -1.46 0.00 0.00 42.92 41.86 2jht s ASP 140 CO 0.26 -0.19 -0.19 -0.89 0.52 0.00 0.00 175.17 174.67 2jht s THR 141 N -0.45 1.72 -0.01 1.71 2.01 -1.26 -0.01 115.64 119.34 2jht s THR 141 Ca -0.06 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2jht s THR 141 Cb -0.04 -1.52 0.01 0.00 0.01 0.00 0.00 72.50 70.96 2jht s THR 141 CO 0.01 0.48 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.52 2jht s THR 142 N 0.62 0.19 -0.22 -0.82 2.01 -0.62 -5.02 115.64 111.79 2jht s THR 142 Ca -0.14 -0.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 2jht s THR 142 Cb -0.16 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 2jht s THR 142 CO 0.04 0.09 0.01 -1.81 -0.69 0.00 0.00 174.62 172.26 2jht s ASP 143 N 0.33 4.78 -0.19 3.53 1.01 -1.26 -0.88 116.67 124.00 2jht s ASP 143 Ca -0.03 -0.25 -0.09 0.00 0.71 0.00 0.00 52.55 52.89 2jht s ASP 143 Cb -0.06 -1.83 -0.05 0.00 1.01 0.00 0.00 42.92 42.00 2jht s ASP 143 CO -0.01 0.02 0.10 -0.31 0.21 0.00 0.00 175.17 175.18 2jht s TYR 144 N 1.28 3.36 -0.12 4.23 2.02 0.27 -4.95 117.35 123.44 2jht s TYR 144 Ca 0.04 0.25 -0.29 0.00 -0.37 0.00 0.00 57.07 56.69 2jht s TYR 144 Cb -0.15 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.28 2jht s TYR 144 CO 0.01 0.27 1.32 -1.64 -1.57 0.00 0.00 175.55 173.95 2jht s MET 145 N 0.26 4.24 -0.24 -0.62 -1.94 -1.26 -0.91 119.30 118.82 2jht s MET 145 Ca 0.07 1.77 -0.09 0.00 -1.71 0.00 0.00 55.69 55.72 2jht s MET 145 Cb -0.12 -3.76 -0.17 0.00 2.01 0.00 0.00 34.83 32.80 2jht s MET 145 CO -0.01 -0.69 -0.14 0.28 -0.01 0.00 0.00 175.02 174.46 2jht n VAL 146 N 5.24 1.55 0.00 -6.03 0.31 0.06 -4.94 118.33 114.52 2jht n VAL 146 Ca 0.14 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2jht n VAL 146 Cb 0.45 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 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 1.70 0.38 3.61 2.92 0.00 -1.06 -4.91 105.19 107.83 2jht n GLY 147 Ca -0.46 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 42.98 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 4.76 -0.01 1.61 0.01 -1.26 -1.03 113.70 113.77 2jht s SER 148 Ca 0.00 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 2jht s SER 148 Cb 0.00 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.06 2jht s SER 148 CO 0.00 0.31 0.05 -0.31 0.41 0.00 0.00 173.24 173.70 2jht s TYR 149 N -0.96 0.00 0.35 2.43 2.02 -0.44 -5.00 117.35 115.75 2jht s TYR 149 Ca 0.16 0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.86 2jht s TYR 149 Cb -0.11 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.39 2jht s TYR 149 CO 0.06 -0.09 0.58 0.20 -1.57 0.00 0.00 175.55 174.73 2jht s GLY 150 N -0.39 1.45 0.30 0.71 0.00 -1.26 -1.36 107.32 106.77 2jht s GLY 150 Ca -0.04 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 43.59 2jht s GLY 150 CO 0.00 -0.72 1.32 2.56 0.00 0.00 0.00 173.10 176.26 2jht s PRO 151 N -4.22 4.36 0.27 2.90 0.04 -1.26 -4.70 135.00 132.38 2jht s PRO 151 Ca 0.41 2.19 -0.21 0.00 0.04 0.00 0.00 61.00 63.44 2jht s PRO 151 Cb -0.10 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.37 2jht s PRO 151 CO 0.36 -0.21 0.76 -0.98 0.04 0.00 0.00 177.00 176.97 2jht s ARG 152 N -1.36 1.75 0.02 4.56 1.70 -0.59 -4.97 118.95 120.05 2jht s ARG 152 Ca 0.51 -0.99 -0.26 0.00 -0.47 0.00 0.00 55.73 54.53 2jht s ARG 152 Cb -0.39 0.58 -0.17 0.00 -0.57 0.00 0.00 34.95 34.40 2jht s ARG 152 CO 0.49 -0.81 1.29 0.00 -1.08 0.00 0.00 175.30 175.20 2jht h ALA 153 N 2.00 -0.42 -2.70 7.88 0.00 -1.96 -3.40 119.26 120.66 2jht h ALA 153 Ca -0.21 -0.18 -0.50 0.00 0.00 0.00 0.00 54.91 54.02 2jht h ALA 153 Cb 1.25 0.16 0.03 0.00 0.00 0.00 0.00 17.79 19.23 2jht h ALA 153 CO 0.25 -0.58 0.47 -2.00 0.00 0.00 0.00 179.25 177.39 2jht s GLU 154 N -4.84 4.31 0.48 0.00 2.12 -1.26 -4.97 118.70 114.54 2jht s GLU 154 Ca -0.14 1.75 -0.23 0.00 0.36 0.00 0.00 54.97 56.71 2jht s GLU 154 Cb 0.02 -2.84 -0.07 0.00 0.26 0.00 0.00 34.13 31.51 2jht s GLU 154 CO 0.56 -0.07 1.20 -1.83 -0.54 0.00 0.00 175.26 174.58 2jht s GLU 155 N -2.03 3.63 0.25 4.30 -1.05 -1.26 -4.82 118.70 117.72 2jht s GLU 155 Ca 0.52 1.86 -0.13 0.00 -0.15 0.00 0.00 54.97 57.07 2jht s GLU 155 Cb -0.29 -2.37 -0.08 0.00 -0.44 0.00 0.00 34.13 30.95 2jht s GLU 155 CO 0.37 -0.68 0.64 0.71 0.95 0.00 0.00 175.26 177.25 2jht s TYR 156 N -1.51 3.45 -0.17 4.83 2.02 0.22 -4.91 117.35 121.28 2jht s TYR 156 Ca 0.65 1.08 -0.01 0.00 -0.37 0.00 0.00 57.07 58.42 2jht s TYR 156 Cb -0.31 -2.42 -0.01 0.00 -0.40 0.00 0.00 41.96 38.83 2jht s TYR 156 CO 0.37 0.23 -0.11 -1.21 -1.57 0.00 0.00 175.55 173.25 2jht s GLU 157 N -2.69 3.31 -0.23 -0.62 2.02 -1.26 -1.39 118.70 117.84 2jht s GLU 157 Ca 0.48 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.73 2jht s GLU 157 Cb -0.12 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 2jht s GLU 157 CO 0.19 -0.00 0.00 0.12 0.02 0.00 0.00 175.26 175.60 2jht s PHE 158 N 0.90 3.01 -0.16 1.61 5.36 0.72 -4.95 117.98 124.47 2jht s PHE 158 Ca -0.03 -0.72 -0.06 0.00 -0.96 0.00 0.00 56.93 55.16 2jht s PHE 158 Cb -0.15 -2.16 -0.04 0.00 -0.34 0.00 0.00 43.02 40.34 2jht s PHE 158 CO -0.00 -0.47 0.04 -0.51 -1.46 0.00 0.00 175.22 172.82 2jht s LEU 159 N 1.52 3.73 0.83 6.12 1.43 -1.26 0.02 118.68 131.07 2jht s LEU 159 Ca 0.06 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 2jht s LEU 159 Cb -0.15 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.25 2jht s LEU 159 CO -0.00 0.23 1.09 0.42 0.23 0.00 0.00 176.35 178.32 2jht s THR 160 N 0.03 2.94 0.97 5.49 -4.23 -0.23 -4.98 115.64 115.62 2jht s THR 160 Ca 0.05 0.31 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 2jht s THR 160 Cb -0.12 -2.95 0.17 0.00 1.34 0.00 0.00 72.50 70.94 2jht s THR 160 CO 0.01 -0.40 1.11 -2.16 -0.54 0.00 0.00 174.62 172.64 2jht s PRO 161 N -5.07 0.62 0.14 3.99 0.04 -1.26 -4.58 135.00 128.89 2jht s PRO 161 Ca 0.62 1.33 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 2jht s PRO 161 Cb -0.16 -1.70 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 2jht s PRO 161 CO 0.55 -2.83 1.72 0.08 0.04 0.00 0.00 177.00 176.57 2jht s VAL 162 N -2.63 2.49 0.30 -0.36 1.01 -1.26 -4.71 120.40 115.24 2jht s VAL 162 Ca 0.67 0.18 0.09 0.00 0.00 0.00 0.00 61.98 62.92 2jht s VAL 162 Cb -0.23 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2jht s VAL 162 CO 0.59 0.01 0.04 -1.61 0.00 0.00 0.00 175.10 174.13 2jht s GLU 163 N 2.01 2.29 -0.09 2.72 0.41 -0.35 -4.99 118.70 120.71 2jht s GLU 163 Ca 0.76 -1.50 0.03 0.00 -0.41 0.00 0.00 54.97 53.85 2jht s GLU 163 Cb -0.46 -2.14 0.01 0.00 -1.78 0.00 0.00 34.13 29.76 2jht s GLU 163 CO 0.34 0.26 -0.18 -2.00 -0.49 0.00 0.00 175.26 173.18 2jht s GLU 164 N -3.73 2.36 0.33 1.61 2.12 -1.26 -1.71 118.70 118.42 2jht s GLU 164 Ca 0.34 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 2jht s GLU 164 Cb -0.04 -1.87 -0.10 0.00 0.26 0.00 0.00 34.13 32.37 2jht s GLU 164 CO 0.21 0.07 1.28 0.00 -0.54 0.00 0.00 175.26 176.28 2jht s ALA 165 N 0.59 3.48 0.65 6.30 0.00 0.26 -4.96 121.76 128.07 2jht s ALA 165 Ca -0.15 1.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 2jht s ALA 165 Cb -0.17 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 2jht s ALA 165 CO 0.05 -0.58 1.03 -1.25 0.00 0.00 0.00 175.76 175.01 2jht s PRO 166 N -1.76 3.10 0.07 0.00 0.04 -1.26 -2.00 135.00 133.18 2jht s PRO 166 Ca 0.48 0.43 0.08 0.00 0.04 0.00 0.00 61.00 62.04 2jht s PRO 166 Cb -0.39 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2jht s PRO 166 CO 0.51 -0.81 -0.21 0.21 0.04 0.00 0.00 177.00 176.75 2jht s LYS 167 N -5.21 1.89 0.00 4.56 2.20 -1.26 -3.30 119.74 118.61 2jht s LYS 167 Ca 0.56 -1.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 2jht s LYS 167 Cb -0.11 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 2jht s LYS 167 CO 0.51 0.51 0.00 0.41 -0.36 0.00 0.00 175.35 176.42 2jht n GLY 168 N 1.39 2.35 0.35 5.54 0.00 -1.26 -4.48 105.19 109.08 2jht n GLY 168 Ca -0.16 -2.00 0.03 0.00 0.00 0.00 0.00 46.02 43.89 2jht n GLY 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jht n MET 169 N 0.59 -0.14 0.20 1.61 2.81 -1.26 -0.93 117.12 120.00 2jht n MET 169 Ca 0.00 1.48 0.08 0.00 -1.81 0.00 0.00 57.70 57.45 2jht n MET 169 Cb 0.00 -2.21 0.29 0.00 -0.71 0.00 0.00 33.22 30.59 2jht n MET 169 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2jht h LEU 170 N 0.00 0.00 0.20 4.03 4.07 -2.02 -3.22 115.31 118.38 2jht h LEU 170 Ca 0.41 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 58.06 2jht h LEU 170 Cb 0.65 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.41 2jht h LEU 170 CO -0.97 0.29 -1.41 0.00 -1.08 0.00 0.00 178.44 175.27 2jht h ALA 171 N 1.71 -0.04 -2.58 1.53 0.00 -1.26 -3.46 119.26 115.16 2jht h ALA 171 Ca -0.00 -0.89 -0.58 0.00 0.00 0.00 0.00 54.91 53.44 2jht h ALA 171 Cb 0.98 0.13 0.14 0.00 0.00 0.00 0.00 17.79 19.04 2jht h ALA 171 CO 0.04 0.83 0.14 0.54 0.00 0.00 0.00 179.25 180.80 2jht n ARG 172 N -3.63 1.19 0.00 0.00 1.74 -0.83 -4.75 116.66 110.39 2jht n ARG 172 Ca -0.14 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 2jht n ARG 172 Cb 1.07 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2jht n ARG 172 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jht n GLY 173 N 1.23 0.30 3.65 -0.13 0.00 0.15 -4.91 105.19 105.48 2jht n GLY 173 Ca 0.11 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 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 6.52 -0.03 1.61 0.15 -1.26 -0.82 113.70 115.87 2jht s SER 174 Ca 0.00 0.62 0.07 0.00 0.70 0.00 0.00 55.95 57.35 2jht s SER 174 Cb 0.00 -2.29 -0.02 0.00 -1.71 0.00 0.00 66.02 62.01 2jht s SER 174 CO 0.00 -0.21 -0.25 -0.31 1.20 0.00 0.00 173.24 173.67 2jht s TYR 175 N 1.83 2.33 0.00 3.44 1.51 0.32 -4.67 117.35 122.12 2jht s TYR 175 Ca 0.23 -0.52 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2jht s TYR 175 Cb -0.15 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 2jht s TYR 175 CO 0.09 -0.10 0.00 -1.12 -1.11 0.00 0.00 175.55 173.32 2jht s SER 176 N -0.46 5.13 -0.04 2.29 0.01 -0.44 0.51 113.70 120.69 2jht s SER 176 Ca 0.06 -0.01 0.03 0.00 1.31 0.00 0.00 55.95 57.34 2jht s SER 176 Cb -0.11 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.79 2jht s SER 176 CO 0.00 0.28 -0.13 -0.63 0.41 0.00 0.00 173.24 173.17 2jht s ILE 177 N -1.10 1.12 -0.26 1.44 1.01 0.24 -0.72 121.20 122.93 2jht s ILE 177 Ca 0.20 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2jht s ILE 177 Cb -0.12 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.39 2jht s ILE 177 CO 0.11 0.34 -0.01 -0.54 0.00 0.00 0.00 174.94 174.83 2jht s LYS 178 N 0.28 2.95 0.05 2.79 1.02 -0.32 -0.39 119.74 126.12 2jht s LYS 178 Ca -0.07 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.02 2jht s LYS 178 Cb -0.12 -3.12 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2jht s LYS 178 CO 0.02 -0.40 0.12 -1.12 -0.92 0.00 0.00 175.35 173.04 2jht s SER 179 N 1.39 5.81 0.03 2.83 0.01 0.13 -0.55 113.70 123.36 2jht s SER 179 Ca 0.01 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.42 2jht s SER 179 Cb -0.17 -1.66 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 2jht s SER 179 CO -0.02 0.20 -0.08 -0.13 0.41 0.00 0.00 173.24 173.62 2jht s ARG 180 N -2.23 0.58 -0.15 12.44 0.52 0.63 -1.33 118.95 129.41 2jht s ARG 180 Ca 0.29 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2jht s ARG 180 Cb -0.12 -0.46 0.01 0.00 0.52 0.00 0.00 34.95 34.90 2jht s ARG 180 CO 0.21 0.10 -0.21 0.12 0.02 0.00 0.00 175.30 175.54 2jht s PHE 181 N -0.97 2.66 0.00 -0.53 2.19 -0.29 -0.94 117.98 120.10 2jht s PHE 181 Ca -0.05 -1.41 0.00 0.00 0.33 0.00 0.00 56.93 55.80 2jht s PHE 181 Cb -0.08 -1.82 0.00 0.00 -1.31 0.00 0.00 43.02 39.81 2jht s PHE 181 CO 0.00 -0.66 0.00 -2.37 1.83 0.00 0.00 175.22 174.02 2jht n THR 182 N 4.24 0.00 -3.42 0.12 5.66 -0.39 -1.11 114.28 119.37 2jht n THR 182 Ca -0.20 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.77 2jht n THR 182 Cb 0.51 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.29 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 -1.54 -0.36 0.05 1.09 5.68 -1.24 -0.45 116.55 119.77 2jht n ASP 183 Ca 0.00 -1.35 0.13 0.00 -0.50 0.00 0.00 54.79 53.07 2jht n ASP 183 Cb 0.00 0.63 0.51 0.00 -1.14 0.00 0.00 41.12 41.12 2jht n ASP 183 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2jht n ASP 184 N -1.59 0.35 0.02 -1.12 5.68 -1.14 -1.23 116.55 117.52 2jht n ASP 184 Ca -0.01 0.54 0.12 0.00 -0.50 0.00 0.00 54.79 54.94 2jht n ASP 184 Cb 0.12 -0.63 0.49 0.00 -1.14 0.00 0.00 41.12 39.96 2jht n ASP 184 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2jht n ASP 185 N -1.83 0.14 -0.02 -1.12 9.92 -1.26 -4.91 116.55 117.47 2jht n ASP 185 Ca 0.06 0.52 -0.00 0.00 -0.53 0.00 0.00 54.79 54.84 2jht n ASP 185 Cb 0.36 -0.56 -0.00 0.00 -0.64 0.00 0.00 41.12 40.28 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 -1.64 -0.22 -1.64 -1.24 4.76 -0.36 -5.00 118.16 112.82 2jht n LYS 186 Ca 0.05 0.11 -0.47 0.00 -2.87 0.00 0.00 58.31 55.14 2jht n LYS 186 Cb 0.29 -3.32 -0.03 0.00 -1.84 0.00 0.00 35.03 30.13 2jht n LYS 186 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2jht n THR 187 N -2.89 0.80 -2.76 -0.18 -1.04 -1.26 -4.78 114.28 102.17 2jht n THR 187 Ca -0.00 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.05 61.38 2jht n THR 187 Cb 0.06 -1.25 -0.02 0.00 -1.82 0.00 0.00 70.33 67.30 2jht n THR 187 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jht s ASP 188 N 0.26 6.69 0.24 8.00 2.15 -1.26 -3.69 116.67 129.05 2jht s ASP 188 Ca 0.71 -2.06 -0.04 0.00 0.43 0.00 0.00 52.55 51.59 2jht s ASP 188 Cb -0.73 -2.48 0.26 0.00 -0.30 0.00 0.00 42.92 39.67 2jht s ASP 188 CO 0.49 -1.17 1.74 0.45 -0.17 0.00 0.00 175.17 176.51 2jht h HIS 189 N 8.70 0.96 -1.32 -5.34 3.86 -1.47 -3.45 115.15 117.09 2jht h HIS 189 Ca 0.24 -0.13 0.13 0.00 -1.16 0.00 0.00 60.37 59.45 2jht h HIS 189 Cb 0.97 -0.26 -0.30 0.00 1.06 0.00 0.00 27.41 28.88 2jht h HIS 189 CO 1.23 0.85 0.65 -1.17 0.86 0.00 0.00 177.93 180.35 2jht s LEU 190 N -9.27 -0.25 0.03 2.43 2.96 -1.12 -4.73 118.68 108.72 2jht s LEU 190 Ca -0.10 0.47 0.09 0.00 -0.22 0.00 0.00 54.13 54.37 2jht s LEU 190 Cb 0.15 1.47 -0.03 0.00 0.50 0.00 0.00 46.19 48.28 2jht s LEU 190 CO 0.82 -0.08 -0.25 -0.44 -1.32 0.00 0.00 176.35 175.08 2jht s SER 191 N 0.32 2.96 0.22 3.68 0.01 -1.26 -1.14 113.70 118.50 2jht s SER 191 Ca 0.03 -0.54 -0.13 0.00 1.31 0.00 0.00 55.95 56.61 2jht s SER 191 Cb -0.05 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2jht s SER 191 CO -0.11 0.25 0.46 -1.66 0.41 0.00 0.00 173.24 172.59 2jht s TRP 192 N -0.75 0.25 -0.03 2.43 -2.14 -0.45 -5.01 118.94 113.24 2jht s TRP 192 Ca 0.10 -0.61 0.03 0.00 2.66 0.00 0.00 56.10 58.28 2jht s TRP 192 Cb -0.10 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.48 2jht s TRP 192 CO 0.01 -0.94 -0.10 -1.21 -2.66 0.00 0.00 176.95 172.05 2jht s GLU 193 N -3.98 1.08 0.25 3.25 2.02 -1.26 -0.70 118.70 119.36 2jht s GLU 193 Ca 0.18 -0.35 -0.12 0.00 0.02 0.00 0.00 54.97 54.70 2jht s GLU 193 Cb -0.00 -0.99 -0.01 0.00 0.10 0.00 0.00 34.13 33.23 2jht s GLU 193 CO 0.05 0.13 0.47 1.67 0.02 0.00 0.00 175.26 177.60 2jht s TRP 194 N 0.17 0.39 0.08 1.61 1.48 0.48 -4.16 118.94 118.99 2jht s TRP 194 Ca -0.03 -0.74 0.05 0.00 -1.06 0.00 0.00 56.10 54.31 2jht s TRP 194 Cb -0.09 0.17 -0.03 0.00 -1.16 0.00 0.00 33.47 32.36 2jht s TRP 194 CO 0.01 -0.99 -0.13 -0.80 -4.06 0.00 0.00 176.95 170.98 2jht s ASN 195 N -3.02 1.62 -0.03 -2.66 0.01 -1.26 0.80 114.94 110.40 2jht s ASN 195 Ca 0.23 -0.66 -0.00 0.00 -0.71 0.00 0.00 52.86 51.71 2jht s ASN 195 Cb -0.01 -0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.65 2jht s ASN 195 CO 0.09 -0.12 0.02 -0.22 -1.51 0.00 0.00 177.10 175.36 2jht s LEU 196 N -1.92 0.89 -0.17 0.60 2.96 0.18 -1.14 118.68 120.10 2jht s LEU 196 Ca -0.00 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2jht s LEU 196 Cb -0.08 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.43 2jht s LEU 196 CO 0.02 -0.15 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.85 2jht s THR 197 N 1.34 2.47 -0.25 3.68 2.01 0.12 0.12 115.64 125.13 2jht s THR 197 Ca -0.05 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 2jht s THR 197 Cb -0.13 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2jht s THR 197 CO -0.03 0.52 0.43 -0.63 -0.69 0.00 0.00 174.62 174.22 2jht s ILE 198 N 1.01 5.14 0.27 1.82 -1.09 0.00 -1.31 121.20 127.04 2jht s ILE 198 Ca -0.02 0.72 0.10 0.00 -2.23 0.00 0.00 60.65 59.22 2jht s ILE 198 Cb -0.15 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 2jht s ILE 198 CO -0.04 0.16 -0.15 -0.54 -1.23 0.00 0.00 174.94 173.13 2jht s LYS 199 N 1.96 1.61 0.23 2.79 1.02 -0.54 0.30 119.74 127.12 2jht s LYS 199 Ca 0.18 -1.76 -0.08 0.00 0.02 0.00 0.00 55.97 54.33 2jht s LYS 199 Cb -0.15 -1.54 0.37 0.00 -0.52 0.00 0.00 37.83 35.99 2jht s LYS 199 CO 0.09 0.23 1.66 0.87 -0.92 0.00 0.00 175.35 177.28 2jht h LYS 200 N 2.29 0.15 -4.30 1.68 6.56 -1.97 -1.51 116.57 119.47 2jht h LYS 200 Ca -0.40 -0.01 -0.30 0.00 -1.06 0.00 0.00 60.65 58.88 2jht h LYS 200 Cb 1.25 -0.03 -0.10 0.00 -0.57 0.00 0.00 32.23 32.78 2jht h LYS 200 CO 0.63 0.10 -0.29 0.16 -2.06 0.00 0.00 179.45 177.99 2jht s ASP 201 N -5.23 0.96 0.00 0.86 3.84 -1.26 -4.45 116.67 111.40 2jht s ASP 201 Ca -0.13 -1.50 0.18 0.00 -0.00 0.00 0.00 52.55 51.10 2jht s ASP 201 Cb 0.20 0.61 1.10 0.00 -1.38 0.00 0.00 42.92 43.45 2jht s ASP 201 CO 0.75 -1.20 1.49 0.79 -0.00 0.00 0.00 175.17 177.00