#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nx3 s PHE 4 N 0.00 2.98 -0.11 5.58 5.36 -1.25 -4.67 117.98 125.88 2nx3 s PHE 4 Ca 0.00 1.34 -0.13 0.00 -0.96 0.00 0.00 56.93 57.18 2nx3 s PHE 4 Cb 0.00 -3.74 -0.05 0.00 -0.34 0.00 0.00 43.02 38.89 2nx3 s PHE 4 CO 0.00 -2.10 0.29 -1.17 -1.46 0.00 0.00 175.22 170.78 2nx3 s LEU 5 N -1.68 4.34 -0.24 6.12 2.96 -0.91 -1.04 118.68 128.24 2nx3 s LEU 5 Ca 0.51 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 55.05 2nx3 s LEU 5 Cb -0.41 -2.36 0.06 0.00 0.50 0.00 0.00 46.19 43.98 2nx3 s LEU 5 CO 0.53 0.24 -0.05 -0.69 -1.32 0.00 0.00 176.35 175.05 2nx3 s VAL 6 N -0.32 1.54 -0.24 1.68 1.01 -0.03 -1.42 120.40 122.62 2nx3 s VAL 6 Ca 0.18 -1.24 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 2nx3 s VAL 6 Cb -0.14 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2nx3 s VAL 6 CO 0.07 -0.11 0.26 -0.63 0.00 0.00 0.00 175.10 174.69 2nx3 s ILE 7 N 1.39 5.28 0.08 2.22 1.01 -0.09 -0.92 121.20 130.17 2nx3 s ILE 7 Ca -0.06 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.82 2nx3 s ILE 7 Cb -0.19 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.71 2nx3 s ILE 7 CO -0.06 0.27 0.31 0.00 0.00 0.00 0.00 174.94 175.47 2nx3 s ALA 8 N 1.42 -0.67 0.00 9.38 0.00 -0.47 -0.50 121.76 130.92 2nx3 s ALA 8 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.93 2nx3 s ALA 8 Cb -0.15 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2nx3 s ALA 8 CO 0.07 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2nx3 n GLY 9 N 0.17 0.40 3.78 0.00 0.00 -1.23 -0.75 105.19 107.57 2nx3 n GLY 9 Ca -0.17 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 2nx3 n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nx3 s PRO 10 N -1.97 4.44 0.20 1.61 0.04 -1.21 -1.38 135.00 136.73 2nx3 s PRO 10 Ca 0.00 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 2nx3 s PRO 10 Cb 0.00 -2.75 0.20 0.00 0.04 0.00 0.00 34.50 31.99 2nx3 s PRO 10 CO 0.00 0.12 1.64 -0.97 0.04 0.00 0.00 177.00 177.84 2nx3 h ASN 11 N 3.01 -0.47 -3.86 6.66 -1.24 -1.85 -3.38 115.58 114.45 2nx3 h ASN 11 Ca -0.47 0.16 -0.55 0.00 0.71 0.00 0.00 56.30 56.15 2nx3 h ASN 11 Cb 1.20 0.33 -0.20 0.00 0.73 0.00 0.00 38.32 40.38 2nx3 h ASN 11 CO 0.64 -0.17 -0.81 0.00 -1.29 0.00 0.00 177.43 175.80 2nx3 s ALA 12 N -6.22 1.94 -1.35 1.57 0.00 -1.26 -1.76 121.76 114.68 2nx3 s ALA 12 Ca -0.14 -1.37 -0.16 0.00 0.00 0.00 0.00 51.96 50.28 2nx3 s ALA 12 Cb 0.18 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.14 2nx3 s ALA 12 CO 0.73 0.31 1.89 -0.89 0.00 0.00 0.00 175.76 177.80 2nx3 n ILE 13 N 0.70 3.81 0.17 0.00 5.41 -0.94 -4.71 119.36 123.80 2nx3 n ILE 13 Ca -0.16 -3.79 0.03 0.00 1.00 0.00 0.00 62.75 59.82 2nx3 n ILE 13 Cb 0.55 -2.44 0.38 0.00 -0.71 0.00 0.00 39.64 37.42 2nx3 n ILE 13 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2nx3 h GLU 14 N 6.96 0.07 -1.57 0.38 5.08 -1.96 -3.41 114.58 120.12 2nx3 h GLU 14 Ca 0.48 -0.02 0.23 0.00 -1.00 0.00 0.00 59.36 59.05 2nx3 h GLU 14 Cb 0.78 -0.01 -0.19 0.00 0.50 0.00 0.00 28.75 29.84 2nx3 h GLU 14 CO 1.60 0.35 0.77 -1.54 -1.00 0.00 0.00 179.01 179.19 2nx3 s SER 15 N -6.94 -0.17 0.24 1.42 1.04 -1.26 -5.00 113.70 103.03 2nx3 s SER 15 Ca -0.04 0.01 0.26 0.00 0.48 0.00 0.00 55.95 56.66 2nx3 s SER 15 Cb 0.15 0.18 0.85 0.00 0.10 0.00 0.00 66.02 67.29 2nx3 s SER 15 CO 0.72 -0.28 1.76 1.05 0.98 0.00 0.00 173.24 177.47 2nx3 h GLU 16 N 2.02 0.00 -0.52 4.02 4.11 -1.96 -2.61 114.58 119.64 2nx3 h GLU 16 Ca -0.11 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.22 2nx3 h GLU 16 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2nx3 h GLU 16 CO 0.24 0.00 -0.05 0.93 0.07 0.00 0.00 179.01 180.20 2nx3 h GLU 17 N 0.00 0.95 -0.03 1.06 5.08 -1.99 -1.24 114.58 118.40 2nx3 h GLU 17 Ca 0.00 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2nx3 h GLU 17 Cb 0.65 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2nx3 h GLU 17 CO 0.00 0.99 0.01 1.25 -1.00 0.00 0.00 179.01 180.26 2nx3 h LEU 18 N 0.81 0.05 -0.67 1.33 5.85 -1.88 -1.63 115.31 119.17 2nx3 h LEU 18 Ca 0.14 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2nx3 h LEU 18 Cb 0.60 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 2nx3 h LEU 18 CO 0.04 0.22 0.35 -0.07 -0.34 0.00 0.00 178.44 178.64 2nx3 h LEU 19 N -0.13 0.49 -0.59 2.25 4.07 -1.32 -1.41 115.31 118.67 2nx3 h LEU 19 Ca 0.01 0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.93 2nx3 h LEU 19 Cb 0.19 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 2nx3 h LEU 19 CO -0.00 0.30 0.06 -0.07 -1.08 0.00 0.00 178.44 177.65 2nx3 h LEU 20 N 0.63 0.98 -0.52 1.67 3.38 -1.13 0.33 115.31 120.65 2nx3 h LEU 20 Ca 0.31 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2nx3 h LEU 20 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2nx3 h LEU 20 CO -0.22 1.01 0.15 0.50 0.09 0.00 0.00 178.44 179.97 2nx3 h LYS 21 N 0.91 0.81 -0.19 1.13 3.64 -0.81 -0.66 116.57 121.40 2nx3 h LYS 21 Ca 0.18 -0.18 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 2nx3 h LYS 21 Cb 0.48 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2nx3 h LYS 21 CO 0.02 0.76 -0.66 0.28 -2.27 0.00 0.00 179.45 177.59 2nx3 h VAL 22 N 0.71 1.30 -0.32 2.00 2.07 -1.14 -3.06 116.25 117.81 2nx3 h VAL 22 Ca 0.16 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 2nx3 h VAL 22 Cb 0.30 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2nx3 h VAL 22 CO -0.00 0.60 0.11 1.23 0.02 0.00 0.00 177.57 179.53 2nx3 h GLY 23 N 0.81 0.49 0.99 2.17 0.00 -0.18 -1.38 103.07 105.96 2nx3 h GLY 23 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2nx3 h GLY 23 CO 0.13 0.22 0.14 -2.09 0.00 0.00 0.00 176.54 174.94 2nx3 h GLU 24 N 0.46 0.27 -0.42 4.80 4.81 -1.02 -0.12 114.58 123.35 2nx3 h GLU 24 Ca 0.11 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 2nx3 h GLU 24 Cb 0.12 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2nx3 h GLU 24 CO -0.01 0.18 -0.14 1.49 -0.73 0.00 0.00 179.01 179.80 2nx3 h GLU 25 N 0.28 0.78 -0.44 1.92 4.57 -1.37 -1.99 114.58 118.33 2nx3 h GLU 25 Ca 0.08 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 57.91 2nx3 h GLU 25 Cb -0.02 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2nx3 h GLU 25 CO -0.02 0.87 -0.06 0.82 -1.18 0.00 0.00 179.01 179.44 2nx3 h ILE 26 N 0.70 1.25 -0.31 2.32 1.08 -0.96 -1.01 117.51 120.57 2nx3 h ILE 26 Ca 0.11 -1.07 -0.05 0.00 -0.39 0.00 0.00 64.86 63.47 2nx3 h ILE 26 Cb 0.62 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 2nx3 h ILE 26 CO 0.04 0.37 -0.00 0.50 -0.69 0.00 0.00 178.15 178.37 2nx3 h LYS 27 N 0.69 0.55 -0.75 2.37 1.63 -0.78 0.40 116.57 120.68 2nx3 h LYS 27 Ca 0.13 -0.18 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2nx3 h LYS 27 Cb 0.51 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 2nx3 h LYS 27 CO 0.03 0.69 0.48 -0.09 -3.45 0.00 0.00 179.45 177.11 2nx3 h ARG 28 N 0.35 0.92 -0.40 1.90 2.43 -1.10 -0.72 114.38 117.75 2nx3 h ARG 28 Ca 0.09 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 2nx3 h ARG 28 Cb 0.44 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2nx3 h ARG 28 CO 0.02 0.61 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.94 2nx3 h LEU 29 N 0.95 0.67 -1.07 3.80 3.38 -0.85 -1.25 115.31 120.93 2nx3 h LEU 29 Ca 0.29 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2nx3 h LEU 29 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2nx3 h LEU 29 CO -0.10 0.79 -0.37 0.77 0.09 0.00 0.00 178.44 179.63 2nx3 h SER 30 N 0.64 0.18 0.49 -0.43 4.64 -0.00 0.18 113.55 119.24 2nx3 h SER 30 Ca 0.12 -0.07 -0.17 0.00 -0.47 0.00 0.00 61.79 61.20 2nx3 h SER 30 Cb 0.51 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2nx3 h SER 30 CO 0.03 0.54 -0.74 -0.33 -0.87 0.00 0.00 176.83 175.46 2nx3 h GLU 31 N 0.15 0.20 0.12 4.77 4.39 -0.62 -3.25 114.58 120.34 2nx3 h GLU 31 Ca 0.02 -0.18 -0.28 0.00 0.34 0.00 0.00 59.36 59.26 2nx3 h GLU 31 Cb 0.73 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2nx3 h GLU 31 CO 0.05 0.85 -1.35 -0.22 -1.16 0.00 0.00 179.01 177.19 2nx3 h LYS 32 N 0.13 0.24 -2.50 2.33 3.64 -0.78 -3.39 116.57 116.26 2nx3 h LYS 32 Ca -0.02 -0.42 -0.70 0.00 -1.27 0.00 0.00 60.65 58.24 2nx3 h LYS 32 Cb 1.30 0.16 -0.35 0.00 -0.41 0.00 0.00 32.23 32.92 2nx3 h LYS 32 CO 0.11 1.15 0.09 1.19 -2.27 0.00 0.00 179.45 179.72 2nx3 n PHE 33 N -3.48 3.03 0.25 1.91 3.72 0.58 -4.90 117.46 118.57 2nx3 n PHE 33 Ca -0.11 -3.38 0.18 0.00 -0.05 0.00 0.00 57.45 54.09 2nx3 n PHE 33 Cb 1.03 -0.88 0.85 0.00 -0.94 0.00 0.00 39.48 39.54 2nx3 n PHE 33 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2nx3 h LYS 34 N 4.60 0.00 -0.60 -1.08 1.79 -1.76 -1.13 116.57 118.39 2nx3 h LYS 34 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 2nx3 h LYS 34 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2nx3 h LYS 34 CO 1.07 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 179.83 2nx3 n GLU 35 N -3.31 2.34 -5.01 3.15 -0.58 -1.26 -4.83 120.64 111.14 2nx3 n GLU 35 Ca 0.01 -1.34 -0.27 0.00 -0.42 0.00 0.00 57.16 55.13 2nx3 n GLU 35 Cb 0.39 -1.59 -0.16 0.00 -0.57 0.00 0.00 31.44 29.51 2nx3 n GLU 35 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2nx3 s VAL 36 N -1.69 1.63 -0.35 2.62 1.01 -0.43 -3.74 120.40 119.45 2nx3 s VAL 36 Ca 0.24 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 2nx3 s VAL 36 Cb 0.16 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 2nx3 s VAL 36 CO 0.11 0.46 0.35 -0.70 0.00 0.00 0.00 175.10 175.32 2nx3 s GLU 37 N -0.49 3.49 -0.14 2.72 2.12 -0.20 -4.98 118.70 121.23 2nx3 s GLU 37 Ca 0.08 -0.49 -0.12 0.00 0.36 0.00 0.00 54.97 54.79 2nx3 s GLU 37 Cb -0.08 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.44 2nx3 s GLU 37 CO -0.01 -0.55 0.26 -0.06 -0.54 0.00 0.00 175.26 174.36 2nx3 s PHE 38 N 1.99 3.52 -0.13 5.30 0.08 -1.26 -0.85 117.98 126.62 2nx3 s PHE 38 Ca 0.11 0.61 0.02 0.00 0.12 0.00 0.00 56.93 57.78 2nx3 s PHE 38 Cb -0.17 -2.24 0.01 0.00 -0.57 0.00 0.00 43.02 40.05 2nx3 s PHE 38 CO 0.12 0.39 -0.18 0.08 -0.10 0.00 0.00 175.22 175.52 2nx3 s VAL 39 N -0.01 1.73 -0.09 -0.44 1.01 -0.10 -4.10 120.40 118.40 2nx3 s VAL 39 Ca 0.16 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 61.09 2nx3 s VAL 39 Cb -0.13 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2nx3 s VAL 39 CO 0.04 0.49 0.93 0.12 0.00 0.00 0.00 175.10 176.68 2nx3 s PHE 40 N 1.00 3.54 0.01 5.22 5.36 0.50 -1.37 117.98 132.23 2nx3 s PHE 40 Ca -0.05 1.51 0.07 0.00 -0.96 0.00 0.00 56.93 57.51 2nx3 s PHE 40 Cb -0.15 -3.10 -0.02 0.00 -0.34 0.00 0.00 43.02 39.41 2nx3 s PHE 40 CO -0.03 -0.14 -0.23 0.21 -1.46 0.00 0.00 175.22 173.56 2nx3 s LYS 41 N 1.68 1.75 -0.29 10.12 2.36 0.08 -1.02 119.74 134.41 2nx3 s LYS 41 Ca 0.46 -0.90 -0.20 0.00 -2.55 0.00 0.00 55.97 52.78 2nx3 s LYS 41 Cb -0.18 -1.77 0.16 0.00 -1.05 0.00 0.00 37.83 34.98 2nx3 s LYS 41 CO 0.19 0.47 1.13 0.45 1.55 0.00 0.00 175.35 179.15 2nx3 s SER 42 N -0.79 -0.33 -0.09 1.43 0.15 -1.16 -3.45 113.70 109.46 2nx3 s SER 42 Ca 0.09 0.57 -0.26 0.00 0.70 0.00 0.00 55.95 57.06 2nx3 s SER 42 Cb -0.09 0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 65.06 2nx3 s SER 42 CO 0.00 -0.09 0.82 -0.44 1.20 0.00 0.00 173.24 174.72 2nx3 s SER 43 N 0.71 7.06 0.13 5.45 0.01 -0.73 -4.58 113.70 121.75 2nx3 s SER 43 Ca -0.02 1.29 0.25 0.00 1.31 0.00 0.00 55.95 58.78 2nx3 s SER 43 Cb -0.04 -2.46 0.94 0.00 0.21 0.00 0.00 66.02 64.66 2nx3 s SER 43 CO -0.12 -0.26 1.76 2.22 0.41 0.00 0.00 173.24 177.25 2nx3 n PHE 44 N 4.39 0.50 -3.64 2.43 1.16 -1.26 -2.22 117.46 118.82 2nx3 n PHE 44 Ca 0.03 0.16 -0.09 0.00 -1.87 0.00 0.00 57.45 55.68 2nx3 n PHE 44 Cb 0.50 -0.76 -0.07 0.00 -1.61 0.00 0.00 39.48 37.54 2nx3 n PHE 44 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2nx3 s ASP 45 N -3.80 -0.89 -0.86 5.98 2.15 -1.26 -3.98 116.67 114.02 2nx3 s ASP 45 Ca 0.10 1.49 -0.15 0.00 0.43 0.00 0.00 52.55 54.42 2nx3 s ASP 45 Cb 0.13 1.41 0.20 0.00 -0.30 0.00 0.00 42.92 44.36 2nx3 s ASP 45 CO 0.49 -0.24 0.86 -0.54 -0.17 0.00 0.00 175.17 175.56 2nx3 s LYS 46 N 1.26 3.61 0.00 4.34 -0.14 1.00 -4.89 119.74 124.92 2nx3 s LYS 46 Ca -0.07 -2.31 0.29 0.00 -1.36 0.00 0.00 55.97 52.53 2nx3 s LYS 46 Cb -0.05 -4.55 1.32 0.00 -1.68 0.00 0.00 37.83 32.87 2nx3 s LYS 46 CO -0.14 -1.41 1.92 0.00 -0.76 0.00 0.00 175.35 174.96 2nx3 n ALA 47 N 4.58 2.69 -1.50 5.17 0.00 -1.26 -4.05 120.51 126.14 2nx3 n ALA 47 Ca 0.17 -0.23 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2nx3 n ALA 47 Cb 0.47 -1.38 0.16 0.00 0.00 0.00 0.00 19.45 18.70 2nx3 n ALA 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nx3 n ASN 48 N -1.06 1.80 -4.68 0.00 6.94 -1.26 -5.07 115.26 111.92 2nx3 n ASN 48 Ca 0.14 -3.37 -0.37 0.00 -0.02 0.00 0.00 54.58 50.96 2nx3 n ASN 48 Cb 0.26 -0.46 0.06 0.00 -2.36 0.00 0.00 39.78 37.29 2nx3 n ASN 48 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2nx3 n ARG 49 N -1.06 1.05 -0.15 -3.83 5.12 -1.26 -4.90 116.66 111.64 2nx3 n ARG 49 Ca 0.16 0.41 -0.08 0.00 -1.93 0.00 0.00 57.85 56.40 2nx3 n ARG 49 Cb 0.71 -2.38 0.06 0.00 -1.16 0.00 0.00 32.46 29.69 2nx3 n ARG 49 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2nx3 h SER 50 N 0.56 0.93 -3.74 0.55 0.02 -1.98 -3.44 113.55 106.44 2nx3 h SER 50 Ca -0.50 -0.30 -0.68 0.00 -0.84 0.00 0.00 61.79 59.47 2nx3 h SER 50 Cb 1.35 -0.25 -0.19 0.00 0.14 0.00 0.00 62.40 63.44 2nx3 h SER 50 CO 0.52 1.05 -0.72 -0.55 -1.14 0.00 0.00 176.83 175.99 2nx3 s SER 51 N -6.67 4.44 0.22 3.07 0.15 -1.25 -4.99 113.70 108.66 2nx3 s SER 51 Ca -0.11 -0.15 0.20 0.00 0.70 0.00 0.00 55.95 56.60 2nx3 s SER 51 Cb 0.13 -1.01 0.91 0.00 -1.71 0.00 0.00 66.02 64.34 2nx3 s SER 51 CO 0.85 0.31 1.62 0.00 1.20 0.00 0.00 173.24 177.22 2nx3 n ILE 52 N 1.88 0.98 0.57 6.45 0.13 -1.26 -2.21 119.36 125.90 2nx3 n ILE 52 Ca -0.16 0.37 0.12 0.00 -1.10 0.00 0.00 62.75 61.97 2nx3 n ILE 52 Cb 0.53 -1.29 0.19 0.00 -0.84 0.00 0.00 39.64 38.22 2nx3 n ILE 52 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 2nx3 n HIS 53 N -2.09 0.59 -1.79 9.51 8.25 -1.26 -4.95 115.22 123.48 2nx3 n HIS 53 Ca 0.01 0.17 -0.31 0.00 -0.26 0.00 0.00 57.72 57.33 2nx3 n HIS 53 Cb 0.16 -0.68 0.03 0.00 1.12 0.00 0.00 29.99 30.62 2nx3 n HIS 53 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2nx3 s SER 54 N -4.25 5.73 0.28 0.41 0.01 -0.94 -5.00 113.70 109.94 2nx3 s SER 54 Ca 0.06 1.61 -0.30 0.00 1.31 0.00 0.00 55.95 58.64 2nx3 s SER 54 Cb 0.13 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.76 2nx3 s SER 54 CO 0.71 -1.21 1.52 0.12 0.41 0.00 0.00 173.24 174.79 2nx3 s PHE 55 N -2.92 2.85 -0.11 2.43 5.36 -1.26 -4.95 117.98 119.39 2nx3 s PHE 55 Ca 0.59 0.93 -0.06 0.00 -0.96 0.00 0.00 56.93 57.43 2nx3 s PHE 55 Cb -0.13 -3.96 -0.05 0.00 -0.34 0.00 0.00 43.02 38.54 2nx3 s PHE 55 CO 0.49 -3.13 -0.14 0.54 -1.46 0.00 0.00 175.22 171.52 2nx3 n ARG 56 N 2.06 0.23 -2.56 10.12 1.74 -1.26 -4.73 116.66 122.26 2nx3 n ARG 56 Ca 0.07 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2nx3 n ARG 56 Cb 0.39 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 2nx3 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nx3 n GLY 57 N 2.32 -1.09 1.25 -0.13 0.00 -1.26 -0.00 105.19 106.29 2nx3 n GLY 57 Ca -0.21 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.37 2nx3 n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nx3 n HIS 58 N 3.17 1.30 0.00 1.61 8.25 -1.26 -5.04 115.22 123.26 2nx3 n HIS 58 Ca 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 2nx3 n HIS 58 Cb 0.00 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.77 2nx3 n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nx3 n GLY 59 N 0.13 2.16 0.15 -1.41 0.00 -1.26 -4.45 105.19 100.51 2nx3 n GLY 59 Ca 0.23 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 2nx3 n GLY 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nx3 h LEU 60 N 0.00 -0.32 -0.33 0.99 6.46 -1.98 -1.19 115.31 118.94 2nx3 h LEU 60 Ca 0.00 0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2nx3 h LEU 60 Cb 0.00 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2nx3 h LEU 60 CO 0.00 -0.14 0.19 -0.33 -0.62 0.00 0.00 178.44 177.54 2nx3 h GLU 61 N -0.11 0.38 -0.56 1.25 5.08 -1.96 0.18 114.58 118.83 2nx3 h GLU 61 Ca 0.09 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2nx3 h GLU 61 Cb 0.23 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2nx3 h GLU 61 CO -0.20 0.25 0.33 -0.92 -1.00 0.00 0.00 179.01 177.47 2nx3 h TYR 62 N 0.39 0.62 -0.28 4.33 3.20 -1.75 -1.53 116.97 121.95 2nx3 h TYR 62 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2nx3 h TYR 62 Cb 0.00 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2nx3 h TYR 62 CO -0.08 0.35 0.19 0.78 -1.64 0.00 0.00 178.16 177.76 2nx3 h GLY 63 N 0.66 0.40 1.55 1.82 0.00 -0.48 0.13 103.07 107.15 2nx3 h GLY 63 Ca 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 2nx3 h GLY 63 CO -0.10 0.14 0.18 -2.08 0.00 0.00 0.00 176.54 174.68 2nx3 h VAL 64 N 0.38 1.15 -0.21 4.60 2.07 -0.41 -0.24 116.25 123.59 2nx3 h VAL 64 Ca 0.10 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2nx3 h VAL 64 Cb -0.04 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2nx3 h VAL 64 CO -0.02 0.18 -0.08 0.11 0.02 0.00 0.00 177.57 177.78 2nx3 h LYS 65 N 0.58 0.43 -0.68 1.57 6.56 -0.65 0.35 116.57 124.73 2nx3 h LYS 65 Ca 0.15 -0.18 -0.05 0.00 -1.06 0.00 0.00 60.65 59.50 2nx3 h LYS 65 Cb 0.10 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.72 2nx3 h LYS 65 CO -0.02 0.70 0.22 0.00 -2.06 0.00 0.00 179.45 178.29 2nx3 h ALA 66 N 0.72 0.88 -0.55 3.86 0.00 -0.60 -1.04 119.26 122.53 2nx3 h ALA 66 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2nx3 h ALA 66 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2nx3 h ALA 66 CO 0.03 0.56 -0.11 -0.07 0.00 0.00 0.00 179.25 179.65 2nx3 h LEU 67 N 0.98 1.04 -0.79 0.00 3.38 -0.96 -2.42 115.31 116.53 2nx3 h LEU 67 Ca 0.22 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2nx3 h LEU 67 Cb 0.29 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2nx3 h LEU 67 CO -0.01 1.15 0.36 -0.09 0.09 0.00 0.00 178.44 179.94 2nx3 h ARG 68 N 0.92 1.15 -0.93 1.13 2.43 -0.61 -0.98 114.38 117.50 2nx3 h ARG 68 Ca 0.14 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2nx3 h ARG 68 Cb 0.68 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 2nx3 h ARG 68 CO 0.05 0.91 0.61 -0.22 -1.51 0.00 0.00 179.97 179.81 2nx3 h LYS 69 N 1.13 1.17 -0.23 0.20 1.63 -0.93 -0.00 116.57 119.53 2nx3 h LYS 69 Ca 0.27 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.94 2nx3 h LYS 69 Cb 0.15 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2nx3 h LYS 69 CO -0.03 0.77 -0.08 0.28 -3.45 0.00 0.00 179.45 176.94 2nx3 h VAL 70 N 1.21 1.29 -0.94 2.00 2.07 -0.94 -1.15 116.25 119.79 2nx3 h VAL 70 Ca 0.36 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2nx3 h VAL 70 Cb -0.05 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2nx3 h VAL 70 CO -0.10 0.35 0.62 0.50 0.02 0.00 0.00 177.57 178.96 2nx3 h LYS 71 N 0.19 1.19 0.15 1.57 3.64 -0.57 -1.30 116.57 121.44 2nx3 h LYS 71 Ca 0.05 -0.07 -0.29 0.00 -1.27 0.00 0.00 60.65 59.07 2nx3 h LYS 71 Cb 0.57 -0.27 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2nx3 h LYS 71 CO 0.03 0.79 -1.33 0.93 -2.27 0.00 0.00 179.45 177.60 2nx3 h GLU 72 N 1.23 0.31 -0.01 1.90 5.08 -0.99 -0.04 114.58 122.06 2nx3 h GLU 72 Ca 0.36 -0.53 -0.17 0.00 -1.00 0.00 0.00 59.36 58.02 2nx3 h GLU 72 Cb -0.08 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2nx3 h GLU 72 CO -0.10 1.24 -0.78 1.49 -1.00 0.00 0.00 179.01 179.86 2nx3 h GLU 73 N 0.08 0.11 -0.00 2.33 4.81 -1.11 -3.36 114.58 117.44 2nx3 h GLU 73 Ca -0.17 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2nx3 h GLU 73 Cb 2.01 0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.42 2nx3 h GLU 73 CO 0.21 0.83 -0.03 1.19 -0.73 0.00 0.00 179.01 180.48 2nx3 n PHE 74 N -3.68 0.00 -1.70 0.92 3.72 -0.50 -5.02 117.46 111.20 2nx3 n PHE 74 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.24 2nx3 n PHE 74 Cb 0.74 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.24 2nx3 n PHE 74 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nx3 n GLY 75 N 0.47 0.91 3.87 1.37 0.00 -0.03 -4.97 105.19 106.80 2nx3 n GLY 75 Ca 0.01 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 2nx3 n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nx3 s LEU 76 N -3.53 4.21 0.55 0.99 1.43 -1.22 -5.03 118.68 116.08 2nx3 s LEU 76 Ca 0.00 0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 53.89 2nx3 s LEU 76 Cb 0.00 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 2nx3 s LEU 76 CO 0.00 -0.02 1.04 -0.54 0.23 0.00 0.00 176.35 177.06 2nx3 s LYS 77 N -2.58 3.55 0.12 1.70 1.02 -1.26 -4.47 119.74 117.83 2nx3 s LYS 77 Ca 0.45 1.23 0.10 0.00 0.02 0.00 0.00 55.97 57.77 2nx3 s LYS 77 Cb -0.12 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2nx3 s LYS 77 CO 0.20 -0.62 -0.25 0.42 -0.92 0.00 0.00 175.35 174.18 2nx3 s ILE 78 N -2.31 2.08 -0.09 2.17 -1.09 -1.26 -0.37 121.20 120.32 2nx3 s ILE 78 Ca 0.64 -1.71 -0.09 0.00 -2.23 0.00 0.00 60.65 57.27 2nx3 s ILE 78 Cb -0.15 -1.86 0.02 0.00 -1.58 0.00 0.00 42.46 38.89 2nx3 s ILE 78 CO 0.30 0.02 0.25 0.28 -1.23 0.00 0.00 174.94 174.57 2nx3 s THR 79 N -1.14 0.00 0.11 2.92 -1.32 -0.19 -0.20 115.64 115.83 2nx3 s THR 79 Ca 0.12 -0.04 -0.17 0.00 -1.21 0.00 0.00 61.69 60.39 2nx3 s THR 79 Cb -0.10 -0.36 0.04 0.00 -1.51 0.00 0.00 72.50 70.57 2nx3 s THR 79 CO 0.06 -0.02 0.42 0.28 -2.21 0.00 0.00 174.62 173.15 2nx3 s THR 80 N 0.04 0.06 0.25 5.08 -1.32 -1.18 -2.96 115.64 115.60 2nx3 s THR 80 Ca -0.01 -0.50 -0.02 0.00 -1.21 0.00 0.00 61.69 59.96 2nx3 s THR 80 Cb -0.02 -1.11 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 2nx3 s THR 80 CO 0.00 -0.27 0.46 1.51 -2.21 0.00 0.00 174.62 174.11 2nx3 s ASP 81 N -2.63 6.39 0.26 8.08 -4.77 -1.26 -1.31 116.67 121.44 2nx3 s ASP 81 Ca 0.01 0.49 0.12 0.00 -3.30 0.00 0.00 52.55 49.86 2nx3 s ASP 81 Cb 0.01 -2.05 -0.05 0.00 -1.09 0.00 0.00 42.92 39.75 2nx3 s ASP 81 CO -0.10 -0.12 -0.20 0.27 0.70 0.00 0.00 175.17 175.72 2nx3 s ILE 82 N -1.99 2.50 0.00 2.11 -4.36 -0.92 -4.75 121.20 113.79 2nx3 s ILE 82 Ca 0.40 -2.31 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 2nx3 s ILE 82 Cb -0.11 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.31 2nx3 s ILE 82 CO 0.30 -0.34 0.00 1.41 0.24 0.00 0.00 174.94 176.55 2nx3 n HIS 83 N -0.46 0.00 -3.92 1.37 8.25 -1.26 -4.39 115.22 114.81 2nx3 n HIS 83 Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 2nx3 n HIS 83 Cb 0.59 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.60 2nx3 n HIS 83 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2nx3 s GLU 84 N -1.42 0.42 0.34 -0.41 2.02 -1.26 -5.07 118.70 113.31 2nx3 s GLU 84 Ca 0.00 -0.51 0.13 0.00 0.02 0.00 0.00 54.97 54.61 2nx3 s GLU 84 Cb 0.00 0.16 1.01 0.00 0.10 0.00 0.00 34.13 35.40 2nx3 s GLU 84 CO 0.00 -0.09 1.70 0.77 0.02 0.00 0.00 175.26 177.66 2nx3 h SER 85 N 4.39 0.58 0.43 -0.19 0.02 -1.91 -1.79 113.55 115.09 2nx3 h SER 85 Ca -0.31 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2nx3 h SER 85 Cb 1.20 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2nx3 h SER 85 CO 0.41 -0.02 0.00 4.11 -1.14 0.00 0.00 176.83 180.19 2nx3 h TRP 86 N 0.44 0.00 0.00 3.45 5.08 -1.97 -2.74 115.95 120.20 2nx3 h TRP 86 Ca 0.69 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.66 2nx3 h TRP 86 Cb 1.49 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.65 2nx3 h TRP 86 CO -0.01 0.00 -0.03 1.96 -1.28 0.00 0.00 178.44 179.09 2nx3 h GLN 87 N 0.00 0.00 0.02 0.12 4.20 -1.75 -3.36 115.11 114.34 2nx3 h GLN 87 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2nx3 h GLN 87 Cb 0.21 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 2nx3 h GLN 87 CO 0.00 0.03 -0.42 0.00 -0.67 0.00 0.00 178.83 177.77 2nx3 h ALA 88 N 1.97 -0.69 0.10 3.87 0.00 -1.65 -1.78 119.26 121.08 2nx3 h ALA 88 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2nx3 h ALA 88 Cb 0.96 0.74 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 2nx3 h ALA 88 CO 0.00 -0.96 -0.16 1.49 0.00 0.00 0.00 179.25 179.61 2nx3 h GLU 89 N -0.59 -0.31 -0.19 0.00 4.81 -1.80 0.31 114.58 116.82 2nx3 h GLU 89 Ca 0.04 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2nx3 h GLU 89 Cb 0.66 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2nx3 h GLU 89 CO -0.30 -0.21 -0.09 -1.00 -0.73 0.00 0.00 179.01 176.68 2nx3 h PRO 90 N -0.32 0.29 -0.15 0.92 0.13 -1.74 -2.84 132.00 128.29 2nx3 h PRO 90 Ca 0.02 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 64.90 2nx3 h PRO 90 Cb 0.34 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 2nx3 h PRO 90 CO -0.09 0.39 -0.68 0.28 -0.23 0.00 0.00 178.00 177.67 2nx3 h VAL 91 N 0.28 1.32 0.00 1.56 2.07 -1.00 -2.99 116.25 117.49 2nx3 h VAL 91 Ca 0.06 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.61 2nx3 h VAL 91 Cb 0.33 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2nx3 h VAL 91 CO 0.02 0.61 0.03 0.00 0.02 0.00 0.00 177.57 178.25 2nx3 h ALA 92 N 0.81 1.02 -0.40 1.67 0.00 -0.68 -0.12 119.26 121.56 2nx3 h ALA 92 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2nx3 h ALA 92 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2nx3 h ALA 92 CO 0.13 -0.02 0.05 0.93 0.00 0.00 0.00 179.25 180.34 2nx3 h GLU 93 N 0.00 0.61 0.00 0.00 4.39 -1.55 -3.35 114.58 114.69 2nx3 h GLU 93 Ca 0.00 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 2nx3 h GLU 93 Cb 0.06 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2nx3 h GLU 93 CO 0.00 0.60 -1.28 1.55 -1.16 0.00 0.00 179.01 178.72 2nx3 n VAL 94 N -4.29 0.28 -2.75 3.13 3.14 -0.47 -5.02 118.33 112.36 2nx3 n VAL 94 Ca 0.02 -0.17 -0.42 0.00 -2.96 0.00 0.00 64.34 60.80 2nx3 n VAL 94 Cb 0.23 -0.86 -0.03 0.00 -1.06 0.00 0.00 33.84 32.12 2nx3 n VAL 94 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2nx3 s ALA 95 N -2.11 3.59 0.16 1.55 0.00 -0.18 -4.54 121.76 120.24 2nx3 s ALA 95 Ca -0.02 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 2nx3 s ALA 95 Cb 0.01 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 2nx3 s ALA 95 CO 0.17 -0.86 1.38 -0.44 0.00 0.00 0.00 175.76 176.01 2nx3 h ASP 96 N 7.39 0.47 -3.20 0.00 3.32 -0.90 -3.43 116.42 120.06 2nx3 h ASP 96 Ca -0.24 -0.34 -0.57 0.00 0.02 0.00 0.00 57.03 55.90 2nx3 h ASP 96 Cb 1.10 -0.14 -0.35 0.00 0.22 0.00 0.00 39.33 40.15 2nx3 h ASP 96 CO 0.91 1.11 -0.83 -0.63 -1.72 0.00 0.00 179.24 178.08 2nx3 s ILE 97 N -3.44 1.40 -0.26 0.35 1.01 -0.67 -2.27 121.20 117.32 2nx3 s ILE 97 Ca -0.05 -0.55 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 2nx3 s ILE 97 Cb 0.10 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2nx3 s ILE 97 CO 0.85 0.43 0.41 -0.63 0.00 0.00 0.00 174.94 176.00 2nx3 s ILE 98 N 1.31 5.15 0.00 2.92 1.01 0.85 -3.13 121.20 129.31 2nx3 s ILE 98 Ca -0.00 0.68 -0.17 0.00 0.00 0.00 0.00 60.65 61.16 2nx3 s ILE 98 Cb -0.14 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 2nx3 s ILE 98 CO -0.06 0.16 0.47 -1.58 0.00 0.00 0.00 174.94 173.92 2nx3 s GLN 99 N 2.00 4.08 -0.23 2.79 0.74 -0.42 -1.05 119.66 127.56 2nx3 s GLN 99 Ca 0.17 0.52 -0.05 0.00 0.05 0.00 0.00 55.36 56.06 2nx3 s GLN 99 Cb -0.16 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.68 2nx3 s GLN 99 CO 0.09 0.59 -0.02 0.42 -0.55 0.00 0.00 175.29 175.82 2nx3 s ILE 100 N -0.80 3.54 0.48 -2.34 -1.09 0.55 -2.17 121.20 119.37 2nx3 s ILE 100 Ca 0.26 -0.47 -0.24 0.00 -2.23 0.00 0.00 60.65 57.98 2nx3 s ILE 100 Cb -0.17 -2.64 -0.08 0.00 -1.58 0.00 0.00 42.46 37.99 2nx3 s ILE 100 CO 0.15 0.38 1.28 -2.65 -1.23 0.00 0.00 174.94 172.87 2nx3 n PRO 101 N 4.82 1.79 -0.25 2.79 -0.02 -1.26 -1.66 135.00 141.20 2nx3 n PRO 101 Ca -0.18 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 2nx3 n PRO 101 Cb 0.51 -2.45 0.18 0.00 -0.02 0.00 0.00 33.50 31.72 2nx3 n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nx3 h ALA 102 N 1.75 1.03 0.00 3.55 0.00 -1.88 0.30 119.26 124.01 2nx3 h ALA 102 Ca -0.49 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2nx3 h ALA 102 Cb 1.30 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2nx3 h ALA 102 CO 0.58 -0.21 -0.11 0.74 0.00 0.00 0.00 179.25 180.26 2nx3 h PHE 103 N 0.44 0.00 -0.56 0.00 0.04 -1.91 -2.86 116.94 112.09 2nx3 h PHE 103 Ca 0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.17 2nx3 h PHE 103 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2nx3 h PHE 103 CO -0.17 0.11 0.00 1.28 -0.60 0.00 0.00 178.31 178.93 2nx3 n LEU 104 N -3.58 4.42 0.13 1.54 4.77 0.05 -4.61 117.00 119.72 2nx3 n LEU 104 Ca -0.02 -2.46 0.10 0.00 -0.03 0.00 0.00 56.01 53.61 2nx3 n LEU 104 Cb 0.24 -0.53 0.49 0.00 -2.33 0.00 0.00 43.42 41.29 2nx3 n LEU 104 CO 0.29 0.79 0.81 0.00 -1.33 0.00 0.00 177.39 177.95 2nx3 n ARG 106 N -2.15 1.26 -2.57 0.00 5.12 -1.26 -4.90 116.66 112.16 2nx3 n ARG 106 Ca 0.00 -1.48 -0.41 0.00 -1.93 0.00 0.00 57.85 54.03 2nx3 n ARG 106 Cb 0.11 -1.28 -0.03 0.00 -1.16 0.00 0.00 32.46 30.10 2nx3 n ARG 106 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2nx3 s GLN 107 N -1.15 3.52 0.20 5.56 -1.52 -0.85 -4.89 119.66 120.52 2nx3 s GLN 107 Ca 0.19 -0.97 -0.22 0.00 -1.95 0.00 0.00 55.36 52.40 2nx3 s GLN 107 Cb 0.12 -5.14 0.12 0.00 -0.22 0.00 0.00 33.01 27.89 2nx3 s GLN 107 CO 0.18 -2.19 1.50 2.41 -0.25 0.00 0.00 175.29 176.94 2nx3 n THR 108 N 6.77 -0.57 -0.04 -0.19 -1.04 -1.26 -0.99 114.28 116.96 2nx3 n THR 108 Ca 0.27 2.29 0.06 0.00 -2.04 0.00 0.00 64.05 64.64 2nx3 n THR 108 Cb 0.51 -2.95 0.43 0.00 -1.82 0.00 0.00 70.33 66.50 2nx3 n THR 108 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2nx3 h ASP 109 N 0.00 0.48 -0.41 8.00 3.32 -1.99 0.12 116.42 125.94 2nx3 h ASP 109 Ca 0.26 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.17 2nx3 h ASP 109 Cb 0.51 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2nx3 h ASP 109 CO -0.94 0.33 -0.27 0.25 -1.72 0.00 0.00 179.24 176.89 2nx3 h LEU 110 N 0.55 0.95 -0.01 1.55 5.85 -1.44 -0.43 115.31 122.33 2nx3 h LEU 110 Ca 0.20 -0.43 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2nx3 h LEU 110 Cb 0.12 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2nx3 h LEU 110 CO -0.05 1.17 0.00 -0.07 -0.34 0.00 0.00 178.44 179.15 2nx3 h LEU 111 N 0.73 0.02 -1.05 2.25 3.38 -0.80 -2.18 115.31 117.67 2nx3 h LEU 111 Ca 0.08 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2nx3 h LEU 111 Cb 0.85 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 2nx3 h LEU 111 CO 0.07 0.31 0.64 -0.07 0.09 0.00 0.00 178.44 179.49 2nx3 h LEU 112 N -0.27 1.10 -1.02 1.67 3.38 -0.78 -0.87 115.31 118.53 2nx3 h LEU 112 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2nx3 h LEU 112 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2nx3 h LEU 112 CO 0.00 0.78 0.09 0.00 0.09 0.00 0.00 178.44 179.40 2nx3 h ALA 113 N 1.41 1.20 -0.12 1.53 0.00 -0.94 -0.90 119.26 121.44 2nx3 h ALA 113 Ca 0.36 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2nx3 h ALA 113 Cb -0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2nx3 h ALA 113 CO -0.09 0.54 -0.19 0.00 0.00 0.00 0.00 179.25 179.51 2nx3 h ALA 114 N 1.33 0.18 -0.96 0.00 0.00 -0.78 -3.15 119.26 115.88 2nx3 h ALA 114 Ca 0.16 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2nx3 h ALA 114 Cb 0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2nx3 h ALA 114 CO 0.00 0.11 0.60 0.00 0.00 0.00 0.00 179.25 179.97 2nx3 h ALA 115 N 0.54 1.38 -0.02 0.00 0.00 -0.98 -2.27 119.26 117.92 2nx3 h ALA 115 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nx3 h ALA 115 Cb 0.76 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2nx3 h ALA 115 CO 0.04 0.28 0.02 -0.22 0.00 0.00 0.00 179.25 179.38 2nx3 h LYS 116 N 1.02 0.00 0.00 0.00 3.64 -1.12 -2.48 116.57 117.63 2nx3 h LYS 116 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2nx3 h LYS 116 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2nx3 h LYS 116 CO -0.22 0.00 0.00 1.79 -2.27 0.00 0.00 179.45 178.75 2nx3 h THR 117 N 0.00 0.00 0.00 1.00 1.35 -1.46 -3.46 112.91 110.34 2nx3 h THR 117 Ca 0.01 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2nx3 h THR 117 Cb 0.05 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2nx3 h THR 117 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2nx3 n GLY 118 N 0.26 1.57 3.85 5.82 0.00 -0.93 -5.03 105.19 110.72 2nx3 n GLY 118 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2nx3 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nx3 s ARG 119 N -0.48 2.15 0.56 1.61 1.81 -1.26 -4.88 118.95 118.45 2nx3 s ARG 119 Ca 0.00 0.41 -0.17 0.00 -1.72 0.00 0.00 55.73 54.25 2nx3 s ARG 119 Cb 0.00 -1.94 -0.05 0.00 -0.45 0.00 0.00 34.95 32.50 2nx3 s ARG 119 CO 0.00 -1.53 1.05 0.00 -0.68 0.00 0.00 175.30 174.15 2nx3 s ALA 120 N -3.33 2.79 -0.05 2.13 0.00 -0.96 -4.74 121.76 117.60 2nx3 s ALA 120 Ca 0.61 0.47 0.03 0.00 0.00 0.00 0.00 51.96 53.06 2nx3 s ALA 120 Cb -0.13 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.76 2nx3 s ALA 120 CO 0.52 -0.64 -0.13 0.08 0.00 0.00 0.00 175.76 175.60 2nx3 s VAL 121 N -2.29 1.13 -0.18 0.00 1.01 -0.46 -0.11 120.40 119.50 2nx3 s VAL 121 Ca 0.65 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2nx3 s VAL 121 Cb -0.16 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.24 2nx3 s VAL 121 CO 0.31 0.34 -0.14 0.21 0.00 0.00 0.00 175.10 175.82 2nx3 s ASN 122 N 0.35 3.08 -0.21 3.32 2.47 -0.22 -0.48 114.94 123.26 2nx3 s ASN 122 Ca -0.08 -0.69 -0.08 0.00 0.42 0.00 0.00 52.86 52.43 2nx3 s ASN 122 Cb -0.13 -1.29 -0.04 0.00 -1.45 0.00 0.00 41.25 38.35 2nx3 s ASN 122 CO 0.02 -0.07 0.08 -0.69 -3.72 0.00 0.00 177.10 172.72 2nx3 s VAL 123 N 1.39 4.79 0.09 -5.21 1.01 -0.15 -0.33 120.40 121.98 2nx3 s VAL 123 Ca 0.03 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2nx3 s VAL 123 Cb -0.14 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2nx3 s VAL 123 CO -0.10 0.41 1.01 -0.54 0.00 0.00 0.00 175.10 175.88 2nx3 s LYS 124 N 0.80 4.62 0.02 2.72 -0.14 -0.67 -0.46 119.74 126.64 2nx3 s LYS 124 Ca 0.04 1.52 -0.30 0.00 -1.36 0.00 0.00 55.97 55.87 2nx3 s LYS 124 Cb -0.13 -3.38 -0.05 0.00 -1.68 0.00 0.00 37.83 32.59 2nx3 s LYS 124 CO 0.02 0.07 1.26 0.21 -0.76 0.00 0.00 175.35 176.16 2nx3 s LYS 125 N 0.31 4.37 0.52 1.68 2.20 0.52 -4.07 119.74 125.26 2nx3 s LYS 125 Ca 0.50 1.81 -0.22 0.00 -0.36 0.00 0.00 55.97 57.70 2nx3 s LYS 125 Cb -0.24 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 2nx3 s LYS 125 CO 0.30 -0.39 1.31 0.41 -0.36 0.00 0.00 175.35 176.63 2nx3 n GLY 126 N 3.37 0.65 0.04 5.54 0.00 -1.25 -4.58 105.19 108.97 2nx3 n GLY 126 Ca 0.11 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.23 2nx3 n GLY 126 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nx3 n GLN 127 N -0.74 0.04 0.00 1.61 3.00 -1.26 -1.61 117.38 118.42 2nx3 n GLN 127 Ca 0.10 0.42 0.07 0.00 -0.01 0.00 0.00 57.00 57.58 2nx3 n GLN 127 Cb 0.44 -1.60 -0.02 0.00 0.00 0.00 0.00 30.24 29.05 2nx3 n GLN 127 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 2nx3 n PHE 128 N -1.68 0.00 -3.46 1.08 1.16 -1.26 -1.38 117.46 111.91 2nx3 n PHE 128 Ca 0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.22 2nx3 n PHE 128 Cb 0.09 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.90 2nx3 n PHE 128 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2nx3 s LEU 129 N -2.14 4.39 0.35 5.98 2.96 -0.63 -5.07 118.68 124.52 2nx3 s LEU 129 Ca 0.11 0.85 -0.21 0.00 -0.22 0.00 0.00 54.13 54.66 2nx3 s LEU 129 Cb 0.12 -2.57 -0.10 0.00 0.50 0.00 0.00 46.19 44.14 2nx3 s LEU 129 CO 0.43 0.21 0.87 0.00 -1.32 0.00 0.00 176.35 176.54 2nx3 s ALA 130 N -0.39 3.19 0.34 5.97 0.00 -1.26 -4.84 121.76 124.76 2nx3 s ALA 130 Ca 0.23 0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.58 2nx3 s ALA 130 Cb -0.16 -3.03 0.74 0.00 0.00 0.00 0.00 23.12 20.67 2nx3 s ALA 130 CO 0.11 0.21 1.87 -1.00 0.00 0.00 0.00 175.76 176.95 2nx3 h PRO 131 N 2.49 0.76 0.00 0.00 0.13 -1.97 -0.33 132.00 133.08 2nx3 h PRO 131 Ca -0.48 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.55 2nx3 h PRO 131 Cb 1.18 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2nx3 h PRO 131 CO 0.63 0.50 -0.24 0.11 -0.23 0.00 0.00 178.00 178.78 2nx3 h TRP 132 N 0.78 0.00 0.00 1.56 0.09 -1.94 -2.45 115.95 113.99 2nx3 h TRP 132 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.43 2nx3 h TRP 132 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.86 2nx3 h TRP 132 CO -0.00 0.24 0.00 -0.25 0.09 0.00 0.00 178.44 178.52 2nx3 n ASP 133 N -3.73 0.00 0.15 0.11 8.00 -0.13 -2.80 116.55 118.15 2nx3 n ASP 133 Ca -0.01 0.08 0.13 0.00 0.71 0.00 0.00 54.79 55.70 2nx3 n ASP 133 Cb 0.35 -0.30 0.39 0.00 -0.02 0.00 0.00 41.12 41.53 2nx3 n ASP 133 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2nx3 h THR 134 N 0.00 0.00 -0.85 -3.53 1.35 -1.49 -3.25 112.91 105.14 2nx3 h THR 134 Ca 0.00 -0.56 0.03 0.00 -0.55 0.00 0.00 66.41 65.34 2nx3 h THR 134 Cb 0.16 1.52 -0.05 0.00 -1.73 0.00 0.00 68.15 68.05 2nx3 h THR 134 CO 0.00 0.00 0.55 0.50 -0.25 0.00 0.00 175.52 176.32 2nx3 h LYS 135 N 0.00 1.03 -0.28 4.72 3.64 -1.73 -1.39 116.57 122.57 2nx3 h LYS 135 Ca 0.00 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2nx3 h LYS 135 Cb 0.72 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2nx3 h LYS 135 CO 0.00 0.68 -0.07 -0.91 -2.27 0.00 0.00 179.45 176.88 2nx3 h ASN 136 N 1.06 0.42 -0.36 4.20 2.35 -1.82 -1.01 115.58 120.43 2nx3 h ASN 136 Ca 0.34 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2nx3 h ASN 136 Cb 0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2nx3 h ASN 136 CO -0.12 0.54 0.17 0.58 -1.65 0.00 0.00 177.43 176.95 2nx3 h VAL 137 N 0.42 1.17 -0.49 2.81 2.07 -1.42 -1.60 116.25 119.21 2nx3 h VAL 137 Ca 0.09 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 2nx3 h VAL 137 Cb 0.39 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2nx3 h VAL 137 CO 0.02 0.18 0.11 0.58 0.02 0.00 0.00 177.57 178.48 2nx3 h VAL 138 N 0.44 1.21 -1.00 2.57 2.07 -1.03 -2.59 116.25 117.92 2nx3 h VAL 138 Ca 0.12 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2nx3 h VAL 138 Cb 0.13 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 2nx3 h VAL 138 CO -0.01 0.29 0.66 -0.08 0.02 0.00 0.00 177.57 178.44 2nx3 h GLU 139 N 0.73 1.32 -0.19 1.57 4.81 -0.48 -0.55 114.58 121.79 2nx3 h GLU 139 Ca 0.16 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2nx3 h GLU 139 Cb 0.28 -0.30 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2nx3 h GLU 139 CO -0.00 0.87 0.02 0.87 -0.73 0.00 0.00 179.01 180.05 2nx3 h LYS 140 N 1.35 0.32 -0.47 1.92 1.57 -0.94 -1.69 116.57 118.63 2nx3 h LYS 140 Ca 0.37 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2nx3 h LYS 140 Cb -0.15 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2nx3 h LYS 140 CO -0.08 0.49 0.23 -0.07 -0.57 0.00 0.00 179.45 179.45 2nx3 h LEU 141 N 0.10 0.60 0.45 2.94 3.38 -1.22 -0.29 115.31 121.28 2nx3 h LEU 141 Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2nx3 h LEU 141 Cb 0.33 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2nx3 h LEU 141 CO 0.00 0.55 -0.24 0.11 0.09 0.00 0.00 178.44 178.96 2nx3 h LYS 142 N 0.61 -0.62 -0.91 1.13 1.57 -1.09 -0.33 116.57 116.94 2nx3 h LYS 142 Ca 0.16 0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.20 2nx3 h LYS 142 Cb 0.10 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 32.43 2nx3 h LYS 142 CO -0.02 -0.41 0.43 0.35 -0.57 0.00 0.00 179.45 179.22 2nx3 h PHE 143 N -0.64 0.72 0.00 -1.35 3.57 -1.11 0.83 116.94 118.95 2nx3 h PHE 143 Ca -0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2nx3 h PHE 143 Cb 0.51 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.07 2nx3 h PHE 143 CO -0.06 -0.01 0.00 0.41 -2.23 0.00 0.00 178.31 176.41 2nx3 n GLY 144 N -1.33 -0.79 0.00 2.40 0.00 -0.14 -4.87 105.19 100.47 2nx3 n GLY 144 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2nx3 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nx3 n GLY 145 N 0.35 0.64 3.77 -0.02 0.00 0.29 -3.91 105.19 106.31 2nx3 n GLY 145 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2nx3 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nx3 s ALA 146 N -2.00 3.40 -0.09 4.61 0.00 -0.19 -4.91 121.76 122.58 2nx3 s ALA 146 Ca 0.00 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.08 2nx3 s ALA 146 Cb 0.00 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 2nx3 s ALA 146 CO 0.00 -0.49 -0.07 1.63 0.00 0.00 0.00 175.76 176.83 2nx3 n LYS 147 N 0.75 0.41 -3.54 0.00 5.02 -1.26 -4.42 118.16 115.12 2nx3 n LYS 147 Ca 0.01 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2nx3 n LYS 147 Cb 0.43 -1.17 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 2nx3 n LYS 147 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2nx3 s GLU 148 N -2.17 2.78 -0.07 1.97 2.12 -1.26 -5.06 118.70 117.00 2nx3 s GLU 148 Ca -0.11 -1.31 0.05 0.00 0.36 0.00 0.00 54.97 53.96 2nx3 s GLU 148 Cb 0.03 -3.87 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 2nx3 s GLU 148 CO 0.21 -0.90 -0.23 0.42 -0.54 0.00 0.00 175.26 174.22 2nx3 s ILE 149 N 1.53 2.20 0.05 -3.70 1.01 -1.26 -1.36 121.20 119.68 2nx3 s ILE 149 Ca 0.03 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.75 2nx3 s ILE 149 Cb -0.22 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2nx3 s ILE 149 CO 0.05 0.56 -0.19 -0.31 0.00 0.00 0.00 174.94 175.05 2nx3 s TYR 150 N -0.03 1.67 -0.11 3.97 2.02 0.37 -2.98 117.35 122.27 2nx3 s TYR 150 Ca -0.07 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 2nx3 s TYR 150 Cb -0.15 -0.98 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 2nx3 s TYR 150 CO 0.05 0.10 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.42 2nx3 s LEU 151 N -1.33 1.94 -0.14 -1.29 1.43 -0.41 -0.98 118.68 117.90 2nx3 s LEU 151 Ca 0.06 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2nx3 s LEU 151 Cb -0.09 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 2nx3 s LEU 151 CO 0.02 0.09 -0.06 -0.89 0.23 0.00 0.00 176.35 175.74 2nx3 s THR 152 N 0.66 3.70 -0.17 5.49 2.01 0.39 -0.68 115.64 127.05 2nx3 s THR 152 Ca -0.12 -0.43 -0.24 0.00 0.31 0.00 0.00 61.69 61.20 2nx3 s THR 152 Cb -0.16 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 2nx3 s THR 152 CO 0.03 0.51 0.80 -0.70 -0.69 0.00 0.00 174.62 174.57 2nx3 s GLU 153 N 0.24 4.29 -0.02 4.92 2.56 0.57 -0.36 118.70 130.90 2nx3 s GLU 153 Ca -0.04 0.95 0.11 0.00 0.00 0.00 0.00 54.97 55.99 2nx3 s GLU 153 Cb -0.14 -3.57 0.19 0.00 2.00 0.00 0.00 34.13 32.61 2nx3 s GLU 153 CO 0.03 -0.30 1.08 2.89 -0.56 0.00 0.00 175.26 178.41 2nx3 n ARG 154 N 5.14 0.17 0.00 4.30 1.85 -1.26 -0.15 116.66 126.72 2nx3 n ARG 154 Ca 0.03 -1.57 0.00 0.00 -1.00 0.00 0.00 57.85 55.31 2nx3 n ARG 154 Cb 0.49 -0.46 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 2nx3 n ARG 154 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2nx3 n GLY 155 N 0.01 0.85 3.16 2.89 0.00 -1.26 -3.95 105.19 106.88 2nx3 n GLY 155 Ca 0.04 -1.80 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 2nx3 n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nx3 s THR 156 N -2.78 1.19 -0.12 2.61 2.01 0.11 -4.34 115.64 114.32 2nx3 s THR 156 Ca 0.00 -1.00 -0.32 0.00 0.31 0.00 0.00 61.69 60.68 2nx3 s THR 156 Cb 0.00 -1.07 -0.10 0.00 0.01 0.00 0.00 72.50 71.35 2nx3 s THR 156 CO 0.00 0.05 2.01 0.41 -0.69 0.00 0.00 174.62 176.40 2nx3 n THR 157 N 1.94 0.53 -3.81 -0.82 -1.04 -0.48 -1.42 114.28 109.19 2nx3 n THR 157 Ca -0.18 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.05 61.34 2nx3 n THR 157 Cb 0.55 -2.07 -0.13 0.00 -1.82 0.00 0.00 70.33 66.85 2nx3 n THR 157 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2nx3 s PHE 158 N 5.41 2.50 0.00 -1.42 5.36 -0.85 -4.89 117.98 124.10 2nx3 s PHE 158 Ca 0.96 -2.76 0.00 0.00 -0.96 0.00 0.00 56.93 54.17 2nx3 s PHE 158 Cb -0.59 -2.28 0.00 0.00 -0.34 0.00 0.00 43.02 39.81 2nx3 s PHE 158 CO 0.46 -0.76 0.00 0.41 -1.46 0.00 0.00 175.22 173.88 2nx3 n GLY 159 N 3.30 -1.13 3.84 13.12 0.00 -1.26 -4.35 105.19 118.71 2nx3 n GLY 159 Ca 0.08 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 2nx3 n GLY 159 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nx3 s TYR 160 N 0.00 3.59 -1.60 1.61 2.02 -1.26 -4.32 117.35 117.40 2nx3 s TYR 160 Ca 0.00 1.12 -0.15 0.00 -0.37 0.00 0.00 57.07 57.67 2nx3 s TYR 160 Cb 0.00 -2.42 0.11 0.00 -0.40 0.00 0.00 41.96 39.25 2nx3 s TYR 160 CO 0.00 0.39 0.90 0.09 -1.57 0.00 0.00 175.55 175.36 2nx3 n ASN 161 N 0.68 -4.17 -3.55 2.29 4.13 -1.26 -4.96 115.26 108.42 2nx3 n ASN 161 Ca -0.04 -0.87 -0.17 0.00 1.68 0.00 0.00 54.58 55.18 2nx3 n ASN 161 Cb 0.52 -3.45 -0.06 0.00 -1.54 0.00 0.00 39.78 35.24 2nx3 n ASN 161 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2nx3 s ASN 162 N -3.33 -0.61 0.06 6.41 2.47 -1.26 -4.17 114.94 114.51 2nx3 s ASN 162 Ca 0.68 0.67 0.06 0.00 0.42 0.00 0.00 52.86 54.69 2nx3 s ASN 162 Cb -0.35 0.54 -0.03 0.00 -1.45 0.00 0.00 41.25 39.96 2nx3 s ASN 162 CO 0.87 -0.58 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.75 2nx3 s LEU 163 N -1.16 2.21 0.02 3.21 1.43 -1.26 -2.00 118.68 121.13 2nx3 s LEU 163 Ca -0.11 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.52 2nx3 s LEU 163 Cb -0.01 -0.68 -0.02 0.00 0.03 0.00 0.00 46.19 45.51 2nx3 s LEU 163 CO 0.09 0.03 -0.18 0.54 0.23 0.00 0.00 176.35 177.06 2nx3 s VAL 164 N -0.99 1.46 -0.36 -1.59 0.11 -0.51 -4.86 120.40 113.66 2nx3 s VAL 164 Ca 0.02 -1.01 -0.15 0.00 -2.93 0.00 0.00 61.98 57.92 2nx3 s VAL 164 Cb -0.09 -1.26 -0.00 0.00 -1.53 0.00 0.00 36.38 33.50 2nx3 s VAL 164 CO 0.02 0.23 0.33 -0.69 -3.33 0.00 0.00 175.10 171.66 2nx3 s VAL 165 N -0.68 5.20 -0.73 2.04 1.01 -1.26 -0.71 120.40 125.28 2nx3 s VAL 165 Ca 0.06 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 2nx3 s VAL 165 Cb -0.08 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.55 2nx3 s VAL 165 CO 0.01 -0.15 0.98 -0.62 0.00 0.00 0.00 175.10 175.32 2nx3 s ASP 166 N 1.73 6.30 0.00 3.32 -1.08 -1.26 -4.89 116.67 120.79 2nx3 s ASP 166 Ca 0.09 -1.32 0.04 0.00 -0.52 0.00 0.00 52.55 50.84 2nx3 s ASP 166 Cb -0.17 -2.40 0.21 0.00 -1.46 0.00 0.00 42.92 39.09 2nx3 s ASP 166 CO 0.11 -1.31 1.06 0.49 0.52 0.00 0.00 175.17 176.04 2nx3 n PHE 167 N 7.25 0.00 0.28 -5.34 3.72 -1.26 -1.51 117.46 120.60 2nx3 n PHE 167 Ca 0.03 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.60 2nx3 n PHE 167 Cb 0.46 -0.39 0.75 0.00 -0.94 0.00 0.00 39.48 39.36 2nx3 n PHE 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nx3 h ARG 168 N 0.00 0.00 0.00 -1.08 3.08 -2.04 -2.77 114.38 111.57 2nx3 h ARG 168 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2nx3 h ARG 168 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2nx3 h ARG 168 CO 0.00 0.04 -0.16 0.66 -1.07 0.00 0.00 179.97 179.44 2nx3 h SER 169 N 0.00 0.00 0.53 7.04 4.64 -1.69 -3.09 113.55 120.98 2nx3 h SER 169 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2nx3 h SER 169 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2nx3 h SER 169 CO 0.01 0.16 -0.26 -0.07 -0.87 0.00 0.00 176.83 175.80 2nx3 h LEU 170 N 0.00 -0.61 -0.94 5.97 4.07 -1.71 -0.96 115.31 121.13 2nx3 h LEU 170 Ca -0.00 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 2nx3 h LEU 170 Cb 0.44 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.32 2nx3 h LEU 170 CO 0.02 -0.39 -0.53 1.55 -1.08 0.00 0.00 178.44 178.02 2nx3 h PRO 171 N -0.79 0.02 0.03 1.13 0.13 -1.77 -2.10 132.00 128.65 2nx3 h PRO 171 Ca -0.07 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2nx3 h PRO 171 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 2nx3 h PRO 171 CO 0.12 0.54 -0.01 0.82 -0.23 0.00 0.00 178.00 179.23 2nx3 h ILE 172 N 0.01 1.06 0.00 -3.56 2.04 -1.48 -3.01 117.51 112.57 2nx3 h ILE 172 Ca -0.00 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.52 2nx3 h ILE 172 Cb 0.93 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2nx3 h ILE 172 CO 0.07 0.07 -0.29 0.24 0.00 0.00 0.00 178.15 178.24 2nx3 h MET 173 N -0.16 0.00 0.00 2.37 2.86 -1.15 -2.74 114.93 116.11 2nx3 h MET 173 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2nx3 h MET 173 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2nx3 h MET 173 CO 0.01 0.29 0.00 1.17 1.06 0.00 0.00 176.91 179.44 2nx3 n LYS 174 N -3.55 0.13 0.16 1.72 3.00 -0.80 -1.72 118.16 117.10 2nx3 n LYS 174 Ca -0.01 0.49 0.01 0.00 -0.00 0.00 0.00 58.31 58.81 2nx3 n LYS 174 Cb 0.43 -1.82 0.33 0.00 0.00 0.00 0.00 35.03 33.97 2nx3 n LYS 174 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2nx3 h GLN 175 N 0.00 0.07 0.00 1.64 4.20 -1.52 -3.32 115.11 116.18 2nx3 h GLN 175 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2nx3 h GLN 175 Cb 0.17 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2nx3 h GLN 175 CO 0.00 0.43 -0.27 0.91 -0.67 0.00 0.00 178.83 179.23 2nx3 n TRP 176 N -4.09 0.00 -3.69 2.96 8.01 -0.70 -5.09 117.44 114.84 2nx3 n TRP 176 Ca -0.02 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.13 2nx3 n TRP 176 Cb 0.42 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.31 29.69 2nx3 n TRP 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2nx3 s ALA 177 N -1.48 -1.72 0.39 6.99 0.00 -0.80 -5.00 121.76 120.14 2nx3 s ALA 177 Ca 0.01 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 2nx3 s ALA 177 Cb 0.03 0.58 -0.09 0.00 0.00 0.00 0.00 23.12 23.65 2nx3 s ALA 177 CO 0.18 -0.97 1.23 0.15 0.00 0.00 0.00 175.76 176.36 2nx3 s LYS 178 N -3.21 4.08 -0.13 0.00 1.02 -1.16 -3.99 119.74 116.34 2nx3 s LYS 178 Ca 0.11 1.99 -0.01 0.00 0.02 0.00 0.00 55.97 58.08 2nx3 s LYS 178 Cb -0.01 -2.77 -0.02 0.00 -0.52 0.00 0.00 37.83 34.51 2nx3 s LYS 178 CO -0.00 -0.34 -0.12 0.08 -0.92 0.00 0.00 175.35 174.04 2nx3 s VAL 179 N -1.31 3.14 -0.08 3.17 1.01 -1.26 -1.29 120.40 123.77 2nx3 s VAL 179 Ca 0.55 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2nx3 s VAL 179 Cb -0.34 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2nx3 s VAL 179 CO 0.44 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 175.32 2nx3 s ILE 180 N 0.36 3.28 -0.32 2.22 -1.09 0.15 -0.08 121.20 125.72 2nx3 s ILE 180 Ca -0.10 -0.62 -0.10 0.00 -2.23 0.00 0.00 60.65 57.60 2nx3 s ILE 180 Cb -0.16 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.38 2nx3 s ILE 180 CO 0.05 0.57 0.18 -0.47 -1.23 0.00 0.00 174.94 174.03 2nx3 s TYR 181 N -0.36 3.19 -0.77 3.97 5.04 0.28 -0.32 117.35 128.39 2nx3 s TYR 181 Ca 0.04 -0.48 -0.25 0.00 -2.44 0.00 0.00 57.07 53.95 2nx3 s TYR 181 Cb -0.12 -2.39 0.05 0.00 0.35 0.00 0.00 41.96 39.85 2nx3 s TYR 181 CO 0.02 -0.43 1.21 0.34 -1.34 0.00 0.00 175.55 175.35 2nx3 s ASP 182 N 1.64 6.24 0.41 4.32 -1.08 0.79 -0.66 116.67 128.33 2nx3 s ASP 182 Ca 0.05 -0.83 0.19 0.00 -0.52 0.00 0.00 52.55 51.44 2nx3 s ASP 182 Cb -0.17 -2.51 0.88 0.00 -1.46 0.00 0.00 42.92 39.65 2nx3 s ASP 182 CO 0.07 -1.64 1.84 0.00 0.52 0.00 0.00 175.17 175.96 2nx3 h ALA 183 N 9.80 1.17 0.08 3.66 0.00 -1.26 -3.13 119.26 129.59 2nx3 h ALA 183 Ca -0.19 -0.28 -0.30 0.00 0.00 0.00 0.00 54.91 54.14 2nx3 h ALA 183 Cb 1.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2nx3 h ALA 183 CO 1.26 0.39 -1.61 1.79 0.00 0.00 0.00 179.25 181.09 2nx3 h THR 184 N 0.00 0.82 0.00 0.00 1.35 -1.90 -3.38 112.91 109.80 2nx3 h THR 184 Ca -0.00 -2.30 0.00 0.00 -0.55 0.00 0.00 66.41 63.56 2nx3 h THR 184 Cb 0.70 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2nx3 h THR 184 CO 0.04 0.66 0.00 1.41 -0.25 0.00 0.00 175.52 177.38 2nx3 n HIS 185 N -3.91 0.56 0.41 4.73 8.25 -1.26 -3.34 115.22 120.67 2nx3 n HIS 185 Ca -0.30 0.17 0.13 0.00 -0.26 0.00 0.00 57.72 57.46 2nx3 n HIS 185 Cb 0.89 -0.78 0.44 0.00 1.12 0.00 0.00 29.99 31.65 2nx3 n HIS 185 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2nx3 h SER 186 N 0.00 0.00 -0.35 0.41 0.02 -1.67 -2.64 113.55 109.32 2nx3 h SER 186 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2nx3 h SER 186 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2nx3 h SER 186 CO 0.00 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 177.02 2nx3 n VAL 187 N -2.59 1.08 -2.70 2.27 0.24 -1.21 -4.69 118.33 110.73 2nx3 n VAL 187 Ca 0.03 -1.05 -0.40 0.00 -2.04 0.00 0.00 64.34 60.88 2nx3 n VAL 187 Cb 0.37 0.46 -0.05 0.00 -1.47 0.00 0.00 33.84 33.14 2nx3 n VAL 187 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2nx3 s GLN 188 N -1.11 4.77 -0.57 7.34 0.74 -1.00 -2.14 119.66 127.70 2nx3 s GLN 188 Ca 0.25 1.53 -0.12 0.00 0.05 0.00 0.00 55.36 57.07 2nx3 s GLN 188 Cb 0.14 -3.30 0.14 0.00 1.10 0.00 0.00 33.01 31.10 2nx3 s GLN 188 CO 0.16 0.37 0.49 -0.51 -0.55 0.00 0.00 175.29 175.25 2nx3 s LEU 189 N -0.84 6.05 0.02 3.68 1.43 -0.74 -4.24 118.68 124.05 2nx3 s LEU 189 Ca 0.44 -2.07 -0.37 0.00 -1.03 0.00 0.00 54.13 51.09 2nx3 s LEU 189 Cb -0.26 -2.11 -0.17 0.00 0.03 0.00 0.00 46.19 43.68 2nx3 s LEU 189 CO 0.33 -0.72 1.41 -0.81 0.23 0.00 0.00 176.35 176.80 2nx3 n PRO 190 N 4.78 1.14 -3.23 1.29 -0.04 -1.26 0.03 135.00 137.69 2nx3 n PRO 190 Ca -0.05 0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 63.63 2nx3 n PRO 190 Cb 0.41 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 2nx3 n PRO 190 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nx3 n GLY 191 N 2.83 -0.47 0.17 0.55 0.00 -1.25 -4.31 105.19 102.70 2nx3 n GLY 191 Ca 0.20 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.32 2nx3 n GLY 191 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2nx3 h GLY 192 N -0.52 0.00 -4.54 -0.02 0.00 -0.88 -3.34 103.07 93.78 2nx3 h GLY 192 Ca -0.31 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.30 2nx3 h GLY 192 CO 0.41 0.00 0.92 1.04 0.00 0.00 0.00 176.54 178.91 2nx3 n LEU 193 N -3.18 7.52 0.00 3.11 4.77 0.55 -4.85 117.00 124.93 2nx3 n LEU 193 Ca 0.03 -4.61 0.00 0.00 -0.03 0.00 0.00 56.01 51.40 2nx3 n LEU 193 Cb 0.67 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2nx3 n LEU 193 CO 0.38 1.65 0.00 0.61 -1.33 0.00 0.00 177.39 178.70 2nx3 n GLY 194 N -0.71 1.96 1.98 -0.72 0.00 -1.25 -3.40 105.19 103.05 2nx3 n GLY 194 Ca 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 2nx3 n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2nx3 n ASP 195 N 6.53 5.10 -3.91 1.61 5.75 -1.26 -4.93 116.55 125.44 2nx3 n ASP 195 Ca 0.00 -3.13 -0.08 0.00 -0.01 0.00 0.00 54.79 51.57 2nx3 n ASP 195 Cb 0.00 -0.73 -0.04 0.00 -1.03 0.00 0.00 41.12 39.32 2nx3 n ASP 195 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2nx3 s LYS 196 N -2.90 1.64 0.36 0.11 1.02 -1.22 -3.81 119.74 114.94 2nx3 s LYS 196 Ca 0.55 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.45 2nx3 s LYS 196 Cb 0.43 0.54 -0.02 0.00 -0.52 0.00 0.00 37.83 38.25 2nx3 s LYS 196 CO 0.14 -0.72 0.56 -1.12 -0.92 0.00 0.00 175.35 173.29 2nx3 s SER 197 N -2.96 6.15 0.00 2.83 0.01 -1.26 -0.33 113.70 118.14 2nx3 s SER 197 Ca 0.16 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.74 2nx3 s SER 197 Cb -0.03 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2nx3 s SER 197 CO 0.07 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2nx3 n GLY 198 N -1.82 4.83 3.63 3.44 0.00 0.10 -4.46 105.19 110.92 2nx3 n GLY 198 Ca -0.03 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.89 2nx3 n GLY 198 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2nx3 s GLY 199 N -0.68 -0.11 -0.53 -0.02 0.00 -1.26 -1.79 107.32 102.93 2nx3 s GLY 199 Ca 0.00 2.20 0.04 0.00 0.00 0.00 0.00 44.72 46.96 2nx3 s GLY 199 CO 0.00 0.80 0.32 1.06 0.00 0.00 0.00 173.10 175.28 2nx3 s MET 200 N -1.71 1.71 0.49 2.90 -1.94 -0.91 -4.87 119.30 114.98 2nx3 s MET 200 Ca 0.10 -2.52 0.21 0.00 -1.71 0.00 0.00 55.69 51.78 2nx3 s MET 200 Cb -0.01 -2.75 1.27 0.00 2.01 0.00 0.00 34.83 35.36 2nx3 s MET 200 CO -0.05 -1.21 1.98 -0.09 -0.01 0.00 0.00 175.02 175.65 2nx3 h ARG 201 N 6.20 0.14 -0.00 2.03 2.43 -1.88 -1.99 114.38 121.31 2nx3 h ARG 201 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2nx3 h ARG 201 Cb 0.87 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2nx3 h ARG 201 CO 0.58 0.09 0.03 1.05 -1.51 0.00 0.00 179.97 180.21 2nx3 h GLU 202 N 0.14 0.00 -0.00 0.20 4.11 -1.95 -1.06 114.58 116.02 2nx3 h GLU 202 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2nx3 h GLU 202 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2nx3 h GLU 202 CO -0.04 0.00 -0.78 1.19 0.07 0.00 0.00 179.01 179.45 2nx3 n PHE 203 N -3.08 0.00 0.21 2.06 3.72 -0.75 -4.56 117.46 115.06 2nx3 n PHE 203 Ca -0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.21 2nx3 n PHE 203 Cb 0.10 -0.04 -0.09 0.00 -0.94 0.00 0.00 39.48 38.51 2nx3 n PHE 203 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 2nx3 h ILE 204 N 0.62 0.00 0.20 4.37 2.04 -1.28 -2.52 117.51 120.94 2nx3 h ILE 204 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2nx3 h ILE 204 Cb 0.56 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2nx3 h ILE 204 CO 0.00 0.00 -0.14 0.15 0.00 0.00 0.00 178.15 178.16 2nx3 h PHE 205 N -0.84 -0.38 -0.96 1.37 3.57 -1.80 -2.30 116.94 115.60 2nx3 h PHE 205 Ca -0.04 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.56 2nx3 h PHE 205 Cb 0.77 0.14 -0.08 0.00 2.79 0.00 0.00 35.95 39.57 2nx3 h PHE 205 CO -0.32 -0.23 0.59 -1.00 -2.23 0.00 0.00 178.31 175.13 2nx3 h PRO 206 N -0.35 0.96 -0.07 6.41 0.13 -1.80 -1.56 132.00 135.73 2nx3 h PRO 206 Ca -0.01 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 2nx3 h PRO 206 Cb 0.30 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 2nx3 h PRO 206 CO -0.00 0.64 -0.38 -0.07 -0.23 0.00 0.00 178.00 177.95 2nx3 h LEU 207 N 0.99 0.15 -0.53 1.56 3.38 -1.33 -1.76 115.31 117.78 2nx3 h LEU 207 Ca 0.45 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 2nx3 h LEU 207 Cb 0.37 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2nx3 h LEU 207 CO -0.24 0.52 0.19 0.40 0.09 0.00 0.00 178.44 179.41 2nx3 h ILE 208 N 0.13 1.22 -0.71 1.22 2.04 -0.74 0.22 117.51 120.90 2nx3 h ILE 208 Ca 0.01 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.18 2nx3 h ILE 208 Cb 0.74 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 2nx3 h ILE 208 CO 0.06 0.27 0.45 0.03 0.00 0.00 0.00 178.15 178.96 2nx3 h ARG 209 N 0.72 0.86 -0.06 2.37 3.08 -0.86 -1.93 114.38 118.55 2nx3 h ARG 209 Ca 0.17 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.18 2nx3 h ARG 209 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2nx3 h ARG 209 CO -0.01 0.57 -0.00 0.00 -1.07 0.00 0.00 179.97 179.46 2nx3 h ALA 210 N 1.30 0.05 -0.34 0.04 0.00 -0.82 -1.53 119.26 117.95 2nx3 h ALA 210 Ca 0.28 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2nx3 h ALA 210 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2nx3 h ALA 210 CO -0.10 -0.48 -0.07 0.00 0.00 0.00 0.00 179.25 178.60 2nx3 h ALA 211 N 1.05 0.24 0.00 0.00 0.00 -0.36 0.19 119.26 120.38 2nx3 h ALA 211 Ca 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2nx3 h ALA 211 Cb 0.03 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2nx3 h ALA 211 CO -0.05 -0.45 -0.41 -0.39 0.00 0.00 0.00 179.25 177.95 2nx3 h VAL 212 N 0.01 1.08 -0.24 0.00 -1.51 -1.26 0.12 116.25 114.45 2nx3 h VAL 212 Ca 0.16 -1.53 -0.09 0.00 -1.23 0.00 0.00 66.70 64.02 2nx3 h VAL 212 Cb 0.25 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2nx3 h VAL 212 CO -0.34 0.40 -0.19 0.00 -1.23 0.00 0.00 177.57 176.21 2nx3 h ALA 213 N 1.59 0.35 -0.19 5.19 0.00 -0.51 -3.13 119.26 122.56 2nx3 h ALA 213 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2nx3 h ALA 213 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2nx3 h ALA 213 CO 0.05 0.28 -0.01 0.28 0.00 0.00 0.00 179.25 179.85 2nx3 h VAL 214 N 0.27 1.26 0.00 0.00 2.07 -0.80 -3.47 116.25 115.57 2nx3 h VAL 214 Ca 0.04 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2nx3 h VAL 214 Cb 0.73 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2nx3 h VAL 214 CO 0.05 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.52 2nx3 n GLY 215 N -0.26 2.70 3.42 2.17 0.00 0.41 -4.85 105.19 108.78 2nx3 n GLY 215 Ca -0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 2nx3 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nx3 n ASP 217 N -0.73 1.40 -3.58 0.00 8.00 0.88 -4.98 116.55 117.54 2nx3 n ASP 217 Ca 0.01 -1.12 0.02 0.00 0.71 0.00 0.00 54.79 54.41 2nx3 n ASP 217 Cb 0.63 0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 42.22 2nx3 n ASP 217 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2nx3 s GLY 218 N -2.66 -0.43 0.00 0.44 0.00 -1.06 -2.14 107.32 101.47 2nx3 s GLY 218 Ca 0.17 1.17 0.06 0.00 0.00 0.00 0.00 44.72 46.11 2nx3 s GLY 218 CO 0.64 0.28 -0.17 0.14 0.00 0.00 0.00 173.10 173.99 2nx3 s VAL 219 N -2.05 1.37 -0.20 1.40 1.01 -0.51 -0.56 120.40 120.87 2nx3 s VAL 219 Ca 0.14 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2nx3 s VAL 219 Cb 0.06 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2nx3 s VAL 219 CO -0.06 0.32 -0.08 0.12 0.00 0.00 0.00 175.10 175.41 2nx3 s PHE 220 N -0.50 2.91 -0.11 5.22 5.36 0.16 -0.91 117.98 130.12 2nx3 s PHE 220 Ca 0.06 -0.96 -0.05 0.00 -0.96 0.00 0.00 56.93 55.03 2nx3 s PHE 220 Cb -0.07 -2.03 0.05 0.00 -0.34 0.00 0.00 43.02 40.63 2nx3 s PHE 220 CO -0.00 -0.51 0.23 0.00 -1.46 0.00 0.00 175.22 173.48 2nx3 s MET 221 N 1.23 0.15 0.28 10.12 0.23 0.35 -0.81 119.30 130.85 2nx3 s MET 221 Ca 0.03 0.60 -0.18 0.00 -1.03 0.00 0.00 55.69 55.10 2nx3 s MET 221 Cb -0.14 -0.12 -0.09 0.00 -1.53 0.00 0.00 34.83 32.95 2nx3 s MET 221 CO -0.03 -0.23 0.76 -1.21 -2.03 0.00 0.00 175.02 172.28 2nx3 s GLU 222 N 1.81 4.18 0.11 3.16 2.02 -1.26 -3.53 118.70 125.19 2nx3 s GLU 222 Ca -0.04 0.84 -0.03 0.00 0.02 0.00 0.00 54.97 55.76 2nx3 s GLU 222 Cb -0.11 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 2nx3 s GLU 222 CO -0.08 0.27 0.08 -0.08 0.02 0.00 0.00 175.26 175.47 2nx3 s THR 223 N -1.75 0.13 -0.22 3.63 -1.32 -0.48 -1.64 115.64 114.00 2nx3 s THR 223 Ca 0.49 -1.76 -0.26 0.00 -1.21 0.00 0.00 61.69 58.94 2nx3 s THR 223 Cb -0.14 -1.84 0.07 0.00 -1.51 0.00 0.00 72.50 69.09 2nx3 s THR 223 CO 0.19 -0.59 0.73 -2.28 -2.21 0.00 0.00 174.62 170.46 2nx3 s HIS 224 N -3.99 -0.74 0.45 9.09 2.46 -0.63 -3.33 115.29 118.59 2nx3 s HIS 224 Ca 0.18 1.69 0.10 0.00 0.47 0.00 0.00 55.06 57.50 2nx3 s HIS 224 Cb 0.07 0.31 0.99 0.00 -0.13 0.00 0.00 32.58 33.82 2nx3 s HIS 224 CO -0.02 -0.43 2.08 -1.00 -2.47 0.00 0.00 174.74 172.90 2nx3 h PRO 225 N 4.46 0.35 -2.47 2.88 0.13 -1.95 -3.00 132.00 132.38 2nx3 h PRO 225 Ca -0.28 -0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.23 2nx3 h PRO 225 Cb 1.16 -0.08 -0.39 0.00 0.13 0.00 0.00 31.00 31.82 2nx3 h PRO 225 CO 0.14 0.24 -0.90 0.39 -0.23 0.00 0.00 178.00 177.63 2nx3 n GLU 226 N -4.49 0.55 -0.35 0.86 1.02 -1.26 -4.67 120.64 112.31 2nx3 n GLU 226 Ca 0.01 -3.44 0.05 0.00 -0.02 0.00 0.00 57.16 53.75 2nx3 n GLU 226 Cb 0.08 -1.77 0.12 0.00 -0.02 0.00 0.00 31.44 29.85 2nx3 n GLU 226 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2nx3 n PRO 227 N 2.57 -0.11 0.30 3.49 -0.02 -1.25 -0.11 135.00 139.87 2nx3 n PRO 227 Ca 0.28 1.49 0.20 0.00 -2.02 0.00 0.00 63.50 63.45 2nx3 n PRO 227 Cb 0.46 -2.23 1.01 0.00 -0.02 0.00 0.00 33.50 32.73 2nx3 n PRO 227 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2nx3 h GLU 228 N 0.00 0.00 -0.03 -0.52 9.09 -1.92 -2.17 114.58 119.03 2nx3 h GLU 228 Ca 0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.85 2nx3 h GLU 228 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 2nx3 h GLU 228 CO -0.98 0.00 -0.02 1.63 0.05 0.00 0.00 179.01 179.69 2nx3 n LYS 229 N -2.95 2.14 -1.85 1.06 5.02 0.84 -4.96 118.16 117.45 2nx3 n LYS 229 Ca -0.02 -1.67 -0.42 0.00 -2.02 0.00 0.00 58.31 54.18 2nx3 n LYS 229 Cb 0.12 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 2nx3 n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nx3 s ALA 230 N -2.02 3.76 -1.77 7.82 0.00 -0.82 -4.88 121.76 123.85 2nx3 s ALA 230 Ca 0.30 1.48 0.20 0.00 0.00 0.00 0.00 51.96 53.94 2nx3 s ALA 230 Cb 0.20 -3.63 1.13 0.00 0.00 0.00 0.00 23.12 20.82 2nx3 s ALA 230 CO 0.32 -0.88 1.61 1.28 0.00 0.00 0.00 175.76 178.09 2nx3 n LEU 231 N 2.85 0.00 -3.71 0.00 4.77 -1.26 -4.20 117.00 115.45 2nx3 n LEU 231 Ca 0.10 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 2nx3 n LEU 231 Cb 0.38 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.26 2nx3 n LEU 231 CO 0.63 -0.04 0.13 -0.55 -1.33 0.00 0.00 177.39 176.23 2nx3 s SER 232 N -2.23 -0.51 -1.42 -1.43 0.15 -1.26 -4.43 113.70 102.58 2nx3 s SER 232 Ca 0.26 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.86 2nx3 s SER 232 Cb 0.14 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.38 2nx3 s SER 232 CO 0.26 -0.17 0.00 0.47 1.20 0.00 0.00 173.24 175.00 2nx3 n ASP 233 N 3.12 -4.77 -0.32 5.45 8.00 -1.26 -4.85 116.55 121.92 2nx3 n ASP 233 Ca -0.15 0.13 0.10 0.00 0.71 0.00 0.00 54.79 55.57 2nx3 n ASP 233 Cb 0.57 -4.04 0.21 0.00 -0.02 0.00 0.00 41.12 37.84 2nx3 n ASP 233 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nx3 h ALA 234 N 0.95 0.94 0.00 2.24 0.00 -1.81 0.28 119.26 121.86 2nx3 h ALA 234 Ca -0.38 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2nx3 h ALA 234 Cb 1.26 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2nx3 h ALA 234 CO 0.46 -0.48 0.07 -2.30 0.00 0.00 0.00 179.25 177.00 2nx3 n PRO 235 N -5.47 0.00 0.00 0.00 -0.02 -1.26 -3.53 135.00 124.72 2nx3 n PRO 235 Ca 0.18 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2nx3 n PRO 235 Cb 0.61 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2nx3 n PRO 235 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2nx3 n THR 236 N -1.44 0.00 -1.76 3.45 -2.24 0.99 -4.10 114.28 109.18 2nx3 n THR 236 Ca -0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2nx3 n THR 236 Cb 0.07 0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.56 2nx3 n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nx3 n ALA 237 N -1.58 2.22 -2.34 6.98 0.00 -1.20 -4.91 120.51 119.68 2nx3 n ALA 237 Ca 0.00 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 2nx3 n ALA 237 Cb 0.08 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.07 2nx3 n ALA 237 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nx3 s LEU 238 N -1.71 4.49 0.38 0.00 1.43 -0.65 -4.77 118.68 117.85 2nx3 s LEU 238 Ca 0.55 1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 54.63 2nx3 s LEU 238 Cb -0.49 -2.94 -0.11 0.00 0.03 0.00 0.00 46.19 42.67 2nx3 s LEU 238 CO 0.62 0.19 1.46 -2.65 0.23 0.00 0.00 176.35 176.20 2nx3 n PRO 239 N 2.15 2.57 -0.34 1.29 -0.02 -1.26 -1.61 135.00 137.77 2nx3 n PRO 239 Ca -0.08 0.90 0.14 0.00 -2.02 0.00 0.00 63.50 62.44 2nx3 n PRO 239 Cb 0.51 -2.63 0.33 0.00 -0.02 0.00 0.00 33.50 31.68 2nx3 n PRO 239 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2nx3 h LEU 240 N 2.82 0.68 -1.95 2.45 3.38 -1.80 -1.43 115.31 119.48 2nx3 h LEU 240 Ca -0.50 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2nx3 h LEU 240 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2nx3 h LEU 240 CO 0.63 0.19 0.00 0.77 0.09 0.00 0.00 178.44 180.12 2nx3 h SER 241 N 0.66 0.00 1.27 -0.43 4.64 -1.91 -2.89 113.55 114.90 2nx3 h SER 241 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 2nx3 h SER 241 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2nx3 h SER 241 CO -0.42 0.00 -0.24 1.56 -0.87 0.00 0.00 176.83 176.86 2nx3 h GLN 242 N 0.00 0.00 -0.21 4.77 4.20 -1.61 -3.38 115.11 118.88 2nx3 h GLN 242 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2nx3 h GLN 242 Cb 0.29 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 2nx3 h GLN 242 CO 0.00 0.00 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.05 2nx3 h LEU 243 N 0.00 -0.18 -0.28 1.46 4.07 -1.62 -2.71 115.31 116.06 2nx3 h LEU 243 Ca 0.00 0.06 0.07 0.00 0.08 0.00 0.00 57.88 58.09 2nx3 h LEU 243 Cb 0.75 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.55 2nx3 h LEU 243 CO 0.00 -0.06 -0.18 -0.08 -1.08 0.00 0.00 178.44 177.04 2nx3 h GLU 244 N 0.01 -0.15 -0.73 1.13 4.22 -1.81 0.13 114.58 117.38 2nx3 h GLU 244 Ca 0.10 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.58 2nx3 h GLU 244 Cb 0.15 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2nx3 h GLU 244 CO -0.21 -0.10 0.46 0.78 -2.18 0.00 0.00 179.01 177.77 2nx3 h GLY 245 N -0.16 1.05 1.22 1.92 0.00 -1.79 -0.26 103.07 105.07 2nx3 h GLY 245 Ca 0.15 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 2nx3 h GLY 245 CO -0.37 0.31 -0.31 -2.22 0.00 0.00 0.00 176.54 173.95 2nx3 h ILE 246 N 0.91 1.27 -0.42 2.60 2.04 -1.10 -1.85 117.51 120.97 2nx3 h ILE 246 Ca 0.29 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 2nx3 h ILE 246 Cb 0.00 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2nx3 h ILE 246 CO -0.10 0.49 0.14 0.40 0.00 0.00 0.00 178.15 179.07 2nx3 h ILE 247 N 0.73 1.22 -0.33 -0.67 1.08 -0.30 -0.86 117.51 118.38 2nx3 h ILE 247 Ca 0.08 -0.71 0.05 0.00 -0.39 0.00 0.00 64.86 63.89 2nx3 h ILE 247 Cb 0.87 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 35.46 2nx3 h ILE 247 CO 0.08 0.25 0.07 -0.08 -0.69 0.00 0.00 178.15 177.78 2nx3 h GLU 248 N 0.54 0.18 -0.49 2.37 4.57 -0.91 -1.39 114.58 119.45 2nx3 h GLU 248 Ca 0.14 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2nx3 h GLU 248 Cb 0.25 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2nx3 h GLU 248 CO -0.01 0.12 0.30 0.00 -1.18 0.00 0.00 179.01 178.25 2nx3 h ALA 249 N 1.24 0.62 0.04 2.92 0.00 -1.05 -1.33 119.26 121.70 2nx3 h ALA 249 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2nx3 h ALA 249 Cb 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2nx3 h ALA 249 CO -0.19 0.01 -0.36 0.82 0.00 0.00 0.00 179.25 179.52 2nx3 h ILE 250 N 0.60 0.24 -0.69 0.00 2.04 -0.49 0.47 117.51 119.68 2nx3 h ILE 250 Ca 0.19 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.10 2nx3 h ILE 250 Cb -0.01 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 2nx3 h ILE 250 CO -0.08 0.00 0.41 -0.07 0.00 0.00 0.00 178.15 178.42 2nx3 h LEU 251 N -0.54 0.65 -0.86 1.44 3.38 -1.06 -0.03 115.31 118.30 2nx3 h LEU 251 Ca 0.05 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2nx3 h LEU 251 Cb 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2nx3 h LEU 251 CO -0.26 0.43 0.07 -0.33 0.09 0.00 0.00 178.44 178.43 2nx3 h GLU 252 N 0.78 0.92 -0.15 1.13 5.08 -0.76 -1.22 114.58 120.36 2nx3 h GLU 252 Ca 0.30 -0.23 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 2nx3 h GLU 252 Cb 0.11 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2nx3 h GLU 252 CO -0.15 0.87 -0.67 0.82 -1.00 0.00 0.00 179.01 178.88 2nx3 h ILE 253 N 0.86 1.30 -0.60 3.13 2.04 -0.49 -3.16 117.51 120.59 2nx3 h ILE 253 Ca 0.17 -1.90 0.01 0.00 1.00 0.00 0.00 64.86 64.14 2nx3 h ILE 253 Cb 0.42 2.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 2nx3 h ILE 253 CO 0.01 0.60 0.39 -0.09 0.00 0.00 0.00 178.15 179.06 2nx3 h ARG 254 N 0.42 0.76 -0.73 2.37 2.43 -0.89 -1.23 114.38 117.51 2nx3 h ARG 254 Ca -0.04 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2nx3 h ARG 254 Cb 1.31 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 2nx3 h ARG 254 CO 0.14 0.50 0.48 1.49 -1.51 0.00 0.00 179.97 181.08 2nx3 h GLU 255 N 0.78 0.82 0.00 0.20 4.81 -1.22 0.25 114.58 120.22 2nx3 h GLU 255 Ca 0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2nx3 h GLU 255 Cb -0.06 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.14 2nx3 h GLU 255 CO -0.06 0.54 -0.96 1.55 -0.73 0.00 0.00 179.01 179.34 2nx3 n VAL 256 N -4.47 0.45 -0.04 0.32 3.14 -1.07 -4.29 118.33 112.37 2nx3 n VAL 256 Ca 0.10 -0.43 0.02 0.00 -2.96 0.00 0.00 64.34 61.07 2nx3 n VAL 256 Cb 0.16 -0.18 -0.16 0.00 -1.06 0.00 0.00 33.84 32.61 2nx3 n VAL 256 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2nx3 n ALA 257 N -2.04 2.26 -0.12 1.55 0.00 -0.49 -4.47 120.51 117.20 2nx3 n ALA 257 Ca 0.01 -0.80 0.18 0.00 0.00 0.00 0.00 53.44 52.83 2nx3 n ALA 257 Cb 0.50 -0.48 0.58 0.00 0.00 0.00 0.00 19.45 20.06 2nx3 n ALA 257 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nx3 h SER 258 N 0.00 0.23 0.39 0.00 4.64 -0.70 0.16 113.55 118.27 2nx3 h SER 258 Ca -0.21 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 2nx3 h SER 258 Cb 1.44 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.50 2nx3 h SER 258 CO 0.01 0.12 -0.06 0.07 -0.87 0.00 0.00 176.83 176.10 2nx3 h LYS 259 N 0.25 0.00 -0.02 4.77 2.10 -1.82 -2.13 116.57 119.72 2nx3 h LYS 259 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2nx3 h LYS 259 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 2nx3 h LYS 259 CO -0.08 0.06 -0.24 0.66 -2.00 0.00 0.00 179.45 177.85 2nx3 n TYR 260 N -3.39 0.00 -1.79 0.07 4.01 0.56 -4.95 117.16 111.67 2nx3 n TYR 260 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2nx3 n TYR 260 Cb 0.20 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 2nx3 n TYR 260 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2nx3 s TYR 261 N -2.28 2.83 0.37 -0.72 2.02 -0.80 -4.93 117.35 113.83 2nx3 s TYR 261 Ca 0.25 0.67 -0.27 0.00 -0.37 0.00 0.00 57.07 57.35 2nx3 s TYR 261 Cb 0.19 -4.07 -0.09 0.00 -0.40 0.00 0.00 41.96 37.60 2nx3 s TYR 261 CO 0.45 -3.72 1.19 -1.21 -1.57 0.00 0.00 175.55 170.69 2nx3 s GLU 262 N 0.06 4.20 0.55 -0.62 8.01 -1.26 -5.02 118.70 124.62 2nx3 s GLU 262 Ca 0.67 1.92 -0.16 0.00 0.01 0.00 0.00 54.97 57.41 2nx3 s GLU 262 Cb -0.48 -2.83 -0.06 0.00 -4.31 0.00 0.00 34.13 26.45 2nx3 s GLU 262 CO 0.42 -0.22 1.01 0.99 0.01 0.00 0.00 175.26 177.48 2nx3 s THR 263 N -1.32 4.28 0.00 3.63 2.01 -1.26 -5.16 115.64 117.82 2nx3 s THR 263 Ca 0.54 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.61 2nx3 s THR 263 Cb -0.33 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.58 2nx3 s THR 263 CO 0.42 -0.64 0.00 -0.38 -0.69 0.00 0.00 174.62 173.33