#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nx3 n PHE 4 N 0.00 2.32 -4.14 5.64 7.35 -1.26 -4.66 117.46 122.72 2nx3 n PHE 4 Ca 0.00 0.51 -0.34 0.00 -0.76 0.00 0.00 57.45 56.85 2nx3 n PHE 4 Cb 0.00 -2.41 -0.11 0.00 0.35 0.00 0.00 39.48 37.31 2nx3 n PHE 4 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2nx3 s LEU 5 N -1.57 3.54 -0.26 -2.13 2.96 -0.85 -0.33 118.68 120.05 2nx3 s LEU 5 Ca 0.58 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 2nx3 s LEU 5 Cb -0.52 -1.89 0.07 0.00 0.50 0.00 0.00 46.19 44.35 2nx3 s LEU 5 CO 0.60 0.15 -0.05 -0.69 -1.32 0.00 0.00 176.35 175.04 2nx3 s VAL 6 N 0.49 1.80 -0.27 1.68 1.01 -0.21 -0.90 120.40 124.01 2nx3 s VAL 6 Ca 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 61.98 60.37 2nx3 s VAL 6 Cb -0.13 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2nx3 s VAL 6 CO 0.02 -0.16 0.22 -0.63 0.00 0.00 0.00 175.10 174.54 2nx3 s ILE 7 N 1.25 5.30 0.13 2.22 1.01 -0.58 -1.39 121.20 129.14 2nx3 s ILE 7 Ca -0.04 0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.75 2nx3 s ILE 7 Cb -0.19 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2nx3 s ILE 7 CO -0.07 0.25 0.27 0.00 0.00 0.00 0.00 174.94 175.40 2nx3 s ALA 8 N 1.67 -0.26 0.00 9.38 0.00 -0.67 -0.85 121.76 131.03 2nx3 s ALA 8 Ca 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2nx3 s ALA 8 Cb -0.15 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.65 2nx3 s ALA 8 CO 0.10 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2nx3 n GLY 9 N -0.16 0.63 3.77 0.00 0.00 -1.17 -0.69 105.19 107.57 2nx3 n GLY 9 Ca -0.12 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.66 4.14 0.12 1.61 0.04 -1.21 -0.86 135.00 137.19 2nx3 s PRO 10 Ca 0.00 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 2nx3 s PRO 10 Cb 0.00 -2.68 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 2nx3 s PRO 10 CO 0.00 -0.21 1.61 -0.97 0.04 0.00 0.00 177.00 177.47 2nx3 h ASN 11 N 2.70 -1.02 -3.34 6.66 -1.24 -1.85 -3.36 115.58 114.13 2nx3 h ASN 11 Ca -0.48 0.13 -0.66 0.00 0.71 0.00 0.00 56.30 56.00 2nx3 h ASN 11 Cb 1.23 0.41 -0.18 0.00 0.73 0.00 0.00 38.32 40.51 2nx3 h ASN 11 CO 0.63 -0.40 -0.79 0.00 -1.29 0.00 0.00 177.43 175.58 2nx3 s ALA 12 N -5.99 2.68 -1.31 1.57 0.00 -1.26 -0.81 121.76 116.64 2nx3 s ALA 12 Ca -0.16 -1.50 -0.17 0.00 0.00 0.00 0.00 51.96 50.13 2nx3 s ALA 12 Cb 0.09 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2nx3 s ALA 12 CO 0.65 0.49 1.98 -0.89 0.00 0.00 0.00 175.76 177.99 2nx3 n ILE 13 N 0.40 3.41 -0.12 0.00 5.41 -0.56 -4.70 119.36 123.20 2nx3 n ILE 13 Ca -0.13 -3.28 0.03 0.00 1.00 0.00 0.00 62.75 60.37 2nx3 n ILE 13 Cb 0.55 -2.44 0.34 0.00 -0.71 0.00 0.00 39.64 37.38 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 7.11 0.74 -1.60 0.38 5.08 -1.96 -3.42 114.58 120.90 2nx3 h GLU 14 Ca 0.48 -0.04 0.23 0.00 -1.00 0.00 0.00 59.36 59.03 2nx3 h GLU 14 Cb 0.76 -0.17 -0.18 0.00 0.50 0.00 0.00 28.75 29.66 2nx3 h GLU 14 CO 1.66 0.49 0.76 -1.54 -1.00 0.00 0.00 179.01 179.39 2nx3 s SER 15 N -6.47 -0.17 0.41 1.42 1.04 -1.26 -5.00 113.70 103.67 2nx3 s SER 15 Ca -0.10 -0.01 0.10 0.00 0.48 0.00 0.00 55.95 56.43 2nx3 s SER 15 Cb 0.18 0.18 0.87 0.00 0.10 0.00 0.00 66.02 67.35 2nx3 s SER 15 CO 0.76 -0.30 1.98 -0.08 0.98 0.00 0.00 173.24 176.58 2nx3 h GLU 16 N 2.00 0.27 -0.41 4.02 4.81 -1.97 -2.50 114.58 120.79 2nx3 h GLU 16 Ca -0.12 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 2nx3 h GLU 16 Cb 1.18 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2nx3 h GLU 16 CO 0.24 0.32 0.00 1.49 -0.73 0.00 0.00 179.01 180.33 2nx3 h GLU 17 N 0.26 0.73 -0.44 1.92 4.81 -1.99 -1.96 114.58 117.91 2nx3 h GLU 17 Ca 0.06 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2nx3 h GLU 17 Cb 0.23 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2nx3 h GLU 17 CO 0.01 0.81 0.25 1.25 -0.73 0.00 0.00 179.01 180.60 2nx3 h LEU 18 N 0.56 0.39 -0.13 1.64 5.85 -1.85 -1.16 115.31 120.63 2nx3 h LEU 18 Ca 0.12 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2nx3 h LEU 18 Cb 0.48 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2nx3 h LEU 18 CO 0.02 0.28 0.02 -0.07 -0.34 0.00 0.00 178.44 178.36 2nx3 h LEU 19 N 0.50 0.00 -1.39 2.25 4.07 -1.31 -1.22 115.31 118.22 2nx3 h LEU 19 Ca 0.18 0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.11 2nx3 h LEU 19 Cb 0.04 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2nx3 h LEU 19 CO -0.10 0.02 -0.19 -0.07 -1.08 0.00 0.00 178.44 177.02 2nx3 h LEU 20 N 0.08 0.15 0.13 1.67 3.38 -1.16 0.50 115.31 120.06 2nx3 h LEU 20 Ca 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2nx3 h LEU 20 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2nx3 h LEU 20 CO -0.08 0.36 -0.06 0.50 0.09 0.00 0.00 178.44 179.25 2nx3 h LYS 21 N 0.15 -0.17 -0.23 1.13 1.63 -0.73 -0.13 116.57 118.23 2nx3 h LYS 21 Ca 0.03 0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.70 2nx3 h LYS 21 Cb 0.43 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2nx3 h LYS 21 CO 0.03 0.12 -0.43 0.28 -3.45 0.00 0.00 179.45 176.00 2nx3 h VAL 22 N -0.46 1.30 -0.82 2.00 2.07 -1.02 -2.91 116.25 116.40 2nx3 h VAL 22 Ca -0.02 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 2nx3 h VAL 22 Cb 0.37 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 2nx3 h VAL 22 CO 0.03 0.50 0.45 1.23 0.02 0.00 0.00 177.57 179.80 2nx3 h GLY 23 N 1.06 1.23 0.76 2.17 0.00 0.08 -0.79 103.07 107.58 2nx3 h GLY 23 Ca 0.03 -0.55 0.07 0.00 0.00 0.00 0.00 47.33 46.88 2nx3 h GLY 23 CO 0.08 0.53 0.64 -2.09 0.00 0.00 0.00 176.54 175.70 2nx3 h GLU 24 N 1.15 1.12 -0.07 4.80 4.57 -0.81 0.67 114.58 126.01 2nx3 h GLU 24 Ca 0.29 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.27 2nx3 h GLU 24 Cb 0.03 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2nx3 h GLU 24 CO -0.05 0.74 -0.47 1.49 -1.18 0.00 0.00 179.01 179.54 2nx3 h GLU 25 N 1.15 0.44 -0.62 1.92 4.57 -1.36 -2.22 114.58 118.45 2nx3 h GLU 25 Ca 0.43 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2nx3 h GLU 25 Cb 0.18 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 2nx3 h GLU 25 CO -0.17 1.03 0.33 0.82 -1.18 0.00 0.00 179.01 179.84 2nx3 h ILE 26 N -0.03 1.19 -0.30 2.32 1.08 -0.83 0.47 117.51 121.42 2nx3 h ILE 26 Ca -0.04 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2nx3 h ILE 26 Cb 1.14 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 2nx3 h ILE 26 CO 0.10 0.21 0.18 0.50 -0.69 0.00 0.00 178.15 178.45 2nx3 h LYS 27 N 0.87 0.36 -0.30 2.37 1.63 -0.81 0.13 116.57 120.83 2nx3 h LYS 27 Ca 0.22 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.03 2nx3 h LYS 27 Cb 0.03 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 2nx3 h LYS 27 CO -0.03 0.24 0.09 -0.09 -3.45 0.00 0.00 179.45 176.21 2nx3 h ARG 28 N 0.37 0.21 -0.76 1.90 2.43 -0.52 -2.14 114.38 115.87 2nx3 h ARG 28 Ca 0.12 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2nx3 h ARG 28 Cb -0.01 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2nx3 h ARG 28 CO -0.05 0.14 0.38 -0.07 -1.51 0.00 0.00 179.97 178.86 2nx3 h LEU 29 N 0.22 0.98 -2.20 3.80 3.38 -0.58 -1.23 115.31 119.68 2nx3 h LEU 29 Ca 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2nx3 h LEU 29 Cb 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2nx3 h LEU 29 CO -0.14 0.83 -0.05 0.77 0.09 0.00 0.00 178.44 179.93 2nx3 h SER 30 N 1.06 0.00 0.56 -0.43 4.64 -0.28 0.16 113.55 119.26 2nx3 h SER 30 Ca 0.26 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.33 2nx3 h SER 30 Cb 0.10 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 2nx3 h SER 30 CO -0.04 0.05 -1.61 -0.62 -0.87 0.00 0.00 176.83 173.75 2nx3 n GLU 31 N -3.41 0.63 0.08 4.77 -0.58 -0.82 -3.99 120.64 117.31 2nx3 n GLU 31 Ca -0.02 0.27 -0.16 0.00 -0.42 0.00 0.00 57.16 56.83 2nx3 n GLU 31 Cb 0.19 -1.80 -0.14 0.00 -0.57 0.00 0.00 31.44 29.12 2nx3 n GLU 31 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2nx3 h LYS 32 N 0.00 0.26 -2.66 3.49 3.64 -0.54 -3.38 116.57 117.37 2nx3 h LYS 32 Ca -0.24 -0.44 -0.67 0.00 -1.27 0.00 0.00 60.65 58.03 2nx3 h LYS 32 Cb 1.86 0.17 -0.38 0.00 -0.41 0.00 0.00 32.23 33.47 2nx3 h LYS 32 CO 0.07 1.15 -0.21 1.19 -2.27 0.00 0.00 179.45 179.38 2nx3 n PHE 33 N -3.48 3.44 0.20 1.91 3.72 0.49 -4.91 117.46 118.83 2nx3 n PHE 33 Ca -0.13 -3.85 0.06 0.00 -0.05 0.00 0.00 57.45 53.47 2nx3 n PHE 33 Cb 1.04 -0.82 0.29 0.00 -0.94 0.00 0.00 39.48 39.05 2nx3 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2nx3 n LYS 34 N 1.35 0.07 0.00 -1.08 5.02 -1.26 -1.62 118.16 120.64 2nx3 n LYS 34 Ca 0.26 0.47 0.14 0.00 -2.02 0.00 0.00 58.31 57.17 2nx3 n LYS 34 Cb 0.38 -1.68 0.55 0.00 -0.02 0.00 0.00 35.03 34.26 2nx3 n LYS 34 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2nx3 n GLU 35 N -1.81 0.72 -4.19 1.97 0.00 -1.26 -4.84 120.64 111.22 2nx3 n GLU 35 Ca 0.01 -0.30 -0.35 0.00 0.00 0.00 0.00 57.16 56.51 2nx3 n GLU 35 Cb 0.08 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 29.94 2nx3 n GLU 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2nx3 s VAL 36 N -2.49 4.73 -0.35 3.84 1.01 -0.64 -3.98 120.40 122.52 2nx3 s VAL 36 Ca 0.27 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 2nx3 s VAL 36 Cb 0.20 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2nx3 s VAL 36 CO 0.49 0.59 0.39 -0.70 0.00 0.00 0.00 175.10 175.87 2nx3 s GLU 37 N -1.00 3.53 -0.13 2.72 2.12 0.55 -4.98 118.70 121.51 2nx3 s GLU 37 Ca 0.15 -0.41 -0.12 0.00 0.36 0.00 0.00 54.97 54.94 2nx3 s GLU 37 Cb -0.12 -3.82 -0.05 0.00 0.26 0.00 0.00 34.13 30.41 2nx3 s GLU 37 CO 0.04 -0.57 0.27 -0.06 -0.54 0.00 0.00 175.26 174.40 2nx3 s PHE 38 N 2.08 3.53 -0.10 5.30 0.08 -1.26 -1.04 117.98 126.57 2nx3 s PHE 38 Ca 0.13 0.63 0.01 0.00 0.12 0.00 0.00 56.93 57.83 2nx3 s PHE 38 Cb -0.16 -2.24 0.02 0.00 -0.57 0.00 0.00 43.02 40.06 2nx3 s PHE 38 CO 0.12 0.41 -0.14 0.08 -0.10 0.00 0.00 175.22 175.60 2nx3 s VAL 39 N -0.12 1.37 -0.08 -0.44 1.01 -0.48 -4.04 120.40 117.63 2nx3 s VAL 39 Ca 0.17 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 2nx3 s VAL 39 Cb -0.13 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2nx3 s VAL 39 CO 0.05 0.42 0.87 0.12 0.00 0.00 0.00 175.10 176.56 2nx3 s PHE 40 N 1.05 3.55 0.06 5.22 5.36 0.68 -1.67 117.98 132.23 2nx3 s PHE 40 Ca -0.06 1.45 0.10 0.00 -0.96 0.00 0.00 56.93 57.45 2nx3 s PHE 40 Cb -0.15 -3.02 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 2nx3 s PHE 40 CO -0.02 -0.08 -0.26 0.21 -1.46 0.00 0.00 175.22 173.60 2nx3 s LYS 41 N 1.44 1.73 -0.30 10.12 2.36 0.14 -1.18 119.74 134.05 2nx3 s LYS 41 Ca 0.44 -1.15 -0.17 0.00 -2.55 0.00 0.00 55.97 52.54 2nx3 s LYS 41 Cb -0.18 -1.97 0.19 0.00 -1.05 0.00 0.00 37.83 34.82 2nx3 s LYS 41 CO 0.19 0.50 1.20 0.45 1.55 0.00 0.00 175.35 179.25 2nx3 s SER 42 N -1.39 -0.17 -0.02 1.43 0.15 -1.20 -3.48 113.70 109.01 2nx3 s SER 42 Ca 0.12 0.28 -0.25 0.00 0.70 0.00 0.00 55.95 56.80 2nx3 s SER 42 Cb -0.10 1.01 -0.04 0.00 -1.71 0.00 0.00 66.02 65.18 2nx3 s SER 42 CO 0.03 -0.04 0.77 -0.44 1.20 0.00 0.00 173.24 174.75 2nx3 s SER 43 N 1.04 7.12 0.00 5.45 0.01 0.01 -4.62 113.70 122.71 2nx3 s SER 43 Ca -0.07 1.35 0.29 0.00 1.31 0.00 0.00 55.95 58.82 2nx3 s SER 43 Cb -0.03 -2.46 1.20 0.00 0.21 0.00 0.00 66.02 64.94 2nx3 s SER 43 CO -0.11 -0.10 1.90 2.22 0.41 0.00 0.00 173.24 177.56 2nx3 n PHE 44 N 3.49 0.00 -3.65 2.43 1.16 -1.26 -1.49 117.46 118.13 2nx3 n PHE 44 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.47 2nx3 n PHE 44 Cb 0.51 -0.46 -0.08 0.00 -1.61 0.00 0.00 39.48 37.84 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 -2.97 -0.78 -0.81 5.98 2.15 -1.26 -3.87 116.67 115.11 2nx3 s ASP 45 Ca 0.15 1.34 -0.15 0.00 0.43 0.00 0.00 52.55 54.32 2nx3 s ASP 45 Cb 0.19 1.27 0.20 0.00 -0.30 0.00 0.00 42.92 44.28 2nx3 s ASP 45 CO 0.54 -0.23 0.78 -0.54 -0.17 0.00 0.00 175.17 175.56 2nx3 s LYS 46 N 1.11 3.56 0.00 4.34 -0.14 0.24 -4.88 119.74 123.97 2nx3 s LYS 46 Ca -0.06 -2.33 0.32 0.00 -1.36 0.00 0.00 55.97 52.54 2nx3 s LYS 46 Cb -0.05 -4.46 1.87 0.00 -1.68 0.00 0.00 37.83 33.50 2nx3 s LYS 46 CO -0.11 -1.34 2.21 0.00 -0.76 0.00 0.00 175.35 175.35 2nx3 n ALA 47 N 4.34 2.68 -1.67 5.17 0.00 -1.26 -3.98 120.51 125.79 2nx3 n ALA 47 Ca 0.13 -0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2nx3 n ALA 47 Cb 0.47 -1.51 0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.99 1.33 -4.56 0.00 6.94 -1.26 -5.08 115.26 111.64 2nx3 n ASN 48 Ca 0.23 -2.76 -0.37 0.00 -0.02 0.00 0.00 54.58 51.66 2nx3 n ASN 48 Cb 0.12 -0.36 0.07 0.00 -2.36 0.00 0.00 39.78 37.25 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 -0.65 0.56 -0.02 -3.83 5.12 -1.26 -4.88 116.66 111.70 2nx3 n ARG 49 Ca 0.10 0.23 -0.07 0.00 -1.93 0.00 0.00 57.85 56.19 2nx3 n ARG 49 Cb 0.75 -2.05 0.12 0.00 -1.16 0.00 0.00 32.46 30.12 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 -0.03 0.61 -3.64 0.55 0.02 -1.98 -3.44 113.55 105.64 2nx3 h SER 50 Ca -0.47 -0.25 -0.68 0.00 -0.84 0.00 0.00 61.79 59.55 2nx3 h SER 50 Cb 1.35 -0.17 -0.19 0.00 0.14 0.00 0.00 62.40 63.53 2nx3 h SER 50 CO 0.47 0.91 -0.70 -0.55 -1.14 0.00 0.00 176.83 175.82 2nx3 s SER 51 N -6.83 4.63 0.47 3.07 0.15 -1.25 -4.99 113.70 108.95 2nx3 s SER 51 Ca -0.08 -0.04 0.32 0.00 0.70 0.00 0.00 55.95 56.85 2nx3 s SER 51 Cb 0.13 -1.21 1.71 0.00 -1.71 0.00 0.00 66.02 64.94 2nx3 s SER 51 CO 0.82 0.35 1.97 -0.29 1.20 0.00 0.00 173.24 177.29 2nx3 h ILE 52 N 4.34 0.00 0.00 6.45 6.09 -1.94 -2.55 117.51 129.89 2nx3 h ILE 52 Ca -0.47 -0.02 -0.11 0.00 -1.37 0.00 0.00 64.86 62.89 2nx3 h ILE 52 Cb 1.17 0.74 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 2nx3 h ILE 52 CO 0.53 0.00 -1.27 0.45 -3.07 0.00 0.00 178.15 174.79 2nx3 h HIS 53 N 0.00 0.00 -4.23 2.19 3.86 -1.97 -3.48 115.15 111.52 2nx3 h HIS 53 Ca 0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2nx3 h HIS 53 Cb 0.02 0.00 0.15 0.00 1.06 0.00 0.00 27.41 28.64 2nx3 h HIS 53 CO 0.00 0.39 0.34 -1.12 0.86 0.00 0.00 177.93 178.40 2nx3 s SER 54 N -5.66 4.21 0.31 2.45 0.01 -0.96 -4.95 113.70 109.11 2nx3 s SER 54 Ca -0.02 2.14 -0.29 0.00 1.31 0.00 0.00 55.95 59.09 2nx3 s SER 54 Cb 0.09 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.64 2nx3 s SER 54 CO 0.80 -2.24 1.56 0.12 0.41 0.00 0.00 173.24 173.88 2nx3 s PHE 55 N -2.36 2.72 -0.04 2.43 5.36 -1.26 -4.93 117.98 119.89 2nx3 s PHE 55 Ca 0.69 0.90 -0.04 0.00 -0.96 0.00 0.00 56.93 57.52 2nx3 s PHE 55 Cb -0.24 -4.04 -0.02 0.00 -0.34 0.00 0.00 43.02 38.37 2nx3 s PHE 55 CO 0.49 -3.38 -0.09 0.54 -1.46 0.00 0.00 175.22 171.32 2nx3 n ARG 56 N 1.69 0.14 -3.95 10.12 1.74 -1.26 -4.73 116.66 120.41 2nx3 n ARG 56 Ca 0.06 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 2nx3 n ARG 56 Cb 0.38 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.08 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 2.70 -1.97 1.11 -0.13 0.00 -1.26 -0.59 105.19 105.06 2nx3 n GLY 57 Ca -0.10 -1.25 0.08 0.00 0.00 0.00 0.00 46.02 44.75 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 4.80 1.13 0.00 1.61 8.25 -1.25 -5.04 115.22 124.71 2nx3 n HIS 58 Ca 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 2nx3 n HIS 58 Cb 0.00 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 30.82 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 0.09 0.19 0.09 -1.41 0.00 -1.25 -4.43 105.19 98.47 2nx3 n GLY 59 Ca 0.21 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 0.17 -0.12 0.99 6.46 -1.98 -2.31 115.31 118.52 2nx3 h LEU 60 Ca 0.00 -0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 2nx3 h LEU 60 Cb 0.00 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.83 2nx3 h LEU 60 CO 0.00 0.25 -0.27 -0.08 -0.62 0.00 0.00 178.44 177.72 2nx3 h GLU 61 N 0.08 -0.33 -0.99 1.25 4.81 -1.98 -0.03 114.58 117.40 2nx3 h GLU 61 Ca 0.04 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2nx3 h GLU 61 Cb 0.13 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2nx3 h GLU 61 CO -0.01 -0.22 0.65 -0.92 -0.73 0.00 0.00 179.01 177.79 2nx3 h TYR 62 N -0.34 1.23 -0.44 0.92 3.20 -1.77 -2.04 116.97 117.72 2nx3 h TYR 62 Ca 0.10 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 2nx3 h TYR 62 Cb 0.49 -0.42 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 2nx3 h TYR 62 CO -0.36 0.76 0.11 0.78 -1.64 0.00 0.00 178.16 177.81 2nx3 h GLY 63 N 1.32 0.77 1.03 1.82 0.00 -0.78 -0.80 103.07 106.42 2nx3 h GLY 63 Ca 0.37 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2nx3 h GLY 63 CO -0.09 0.45 0.14 -2.08 0.00 0.00 0.00 176.54 174.96 2nx3 h VAL 64 N 0.59 1.25 -0.49 4.60 2.07 -0.81 -0.16 116.25 123.29 2nx3 h VAL 64 Ca 0.14 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2nx3 h VAL 64 Cb 0.32 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2nx3 h VAL 64 CO 0.00 0.35 0.18 0.11 0.02 0.00 0.00 177.57 178.23 2nx3 h LYS 65 N 0.89 0.75 -0.49 1.57 1.57 -1.24 -0.66 116.57 118.97 2nx3 h LYS 65 Ca 0.19 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2nx3 h LYS 65 Cb 0.37 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2nx3 h LYS 65 CO 0.00 0.69 0.26 0.00 -0.57 0.00 0.00 179.45 179.84 2nx3 h ALA 66 N 1.03 0.63 -0.52 3.86 0.00 -0.83 -2.19 119.26 121.24 2nx3 h ALA 66 Ca 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2nx3 h ALA 66 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2nx3 h ALA 66 CO -0.01 0.15 0.19 -0.07 0.00 0.00 0.00 179.25 179.51 2nx3 h LEU 67 N 0.65 0.73 -1.72 0.00 3.38 -0.82 -2.37 115.31 115.15 2nx3 h LEU 67 Ca 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2nx3 h LEU 67 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2nx3 h LEU 67 CO -0.03 0.71 0.01 -0.09 0.09 0.00 0.00 178.44 179.14 2nx3 h ARG 68 N 0.70 0.18 -0.26 1.13 2.43 -0.95 -0.83 114.38 116.78 2nx3 h ARG 68 Ca 0.17 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2nx3 h ARG 68 Cb 0.23 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 2nx3 h ARG 68 CO -0.01 0.19 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.38 2nx3 h LYS 69 N 0.18 0.49 -0.54 0.20 1.63 -0.98 0.50 116.57 118.06 2nx3 h LYS 69 Ca 0.05 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.68 2nx3 h LYS 69 Cb 0.11 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2nx3 h LYS 69 CO 0.00 0.69 0.35 0.28 -3.45 0.00 0.00 179.45 177.32 2nx3 h VAL 70 N 0.25 1.13 -0.35 2.00 2.07 -0.85 0.36 116.25 120.86 2nx3 h VAL 70 Ca 0.07 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 2nx3 h VAL 70 Cb 0.50 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2nx3 h VAL 70 CO 0.02 0.13 -0.17 0.50 0.02 0.00 0.00 177.57 178.07 2nx3 h LYS 71 N 0.72 0.64 -0.07 1.57 3.64 -0.96 0.04 116.57 122.16 2nx3 h LYS 71 Ca 0.20 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 2nx3 h LYS 71 Cb -0.08 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2nx3 h LYS 71 CO -0.05 0.78 -0.60 0.93 -2.27 0.00 0.00 179.45 178.24 2nx3 h GLU 72 N 0.58 0.54 0.01 1.90 5.08 0.59 0.54 114.58 123.82 2nx3 h GLU 72 Ca 0.09 -0.48 -0.19 0.00 -1.00 0.00 0.00 59.36 57.78 2nx3 h GLU 72 Cb 0.62 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2nx3 h GLU 72 CO 0.04 1.11 -0.88 1.49 -1.00 0.00 0.00 179.01 179.77 2nx3 h GLU 73 N 0.13 0.15 -0.02 2.33 4.81 -0.26 -3.36 114.58 118.37 2nx3 h GLU 73 Ca -0.05 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2nx3 h GLU 73 Cb 1.26 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2nx3 h GLU 73 CO 0.12 0.93 0.00 1.19 -0.73 0.00 0.00 179.01 180.53 2nx3 n PHE 74 N -3.63 0.02 -2.37 0.92 3.72 -0.00 -5.01 117.46 111.12 2nx3 n PHE 74 Ca -0.03 -0.15 -0.15 0.00 -0.05 0.00 0.00 57.45 57.07 2nx3 n PHE 74 Cb 0.81 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.33 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 -0.06 -0.38 3.90 1.37 0.00 0.18 -4.96 105.19 105.25 2nx3 n GLY 75 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.64 4.07 0.48 0.99 1.43 -1.24 -5.04 118.68 113.73 2nx3 s LEU 76 Ca 0.00 0.77 -0.20 0.00 -1.03 0.00 0.00 54.13 53.67 2nx3 s LEU 76 Cb 0.00 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 2nx3 s LEU 76 CO 0.00 -0.18 1.02 -0.54 0.23 0.00 0.00 176.35 176.88 2nx3 s LYS 77 N -3.43 3.85 -0.02 1.70 -0.14 -1.26 -4.49 119.74 115.96 2nx3 s LYS 77 Ca 0.45 1.30 0.07 0.00 -1.36 0.00 0.00 55.97 56.43 2nx3 s LYS 77 Cb -0.11 -2.11 -0.02 0.00 -1.68 0.00 0.00 37.83 33.92 2nx3 s LYS 77 CO 0.28 -0.38 -0.22 0.42 -0.76 0.00 0.00 175.35 174.70 2nx3 s ILE 78 N -2.05 1.72 -0.01 2.17 -1.09 -1.26 -0.23 121.20 120.45 2nx3 s ILE 78 Ca 0.66 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2nx3 s ILE 78 Cb -0.15 -1.43 0.01 0.00 -1.58 0.00 0.00 42.46 39.31 2nx3 s ILE 78 CO 0.20 0.49 -0.01 0.28 -1.23 0.00 0.00 174.94 174.67 2nx3 s THR 79 N -0.51 0.10 0.05 2.92 -1.32 -0.32 0.76 115.64 117.32 2nx3 s THR 79 Ca 0.08 -0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 60.44 2nx3 s THR 79 Cb -0.08 -0.12 0.01 0.00 -1.51 0.00 0.00 72.50 70.80 2nx3 s THR 79 CO -0.01 0.05 0.24 0.28 -2.21 0.00 0.00 174.62 172.97 2nx3 s THR 80 N 0.22 0.10 0.27 5.08 -1.32 -1.17 -3.27 115.64 115.55 2nx3 s THR 80 Ca -0.02 -0.85 -0.06 0.00 -1.21 0.00 0.00 61.69 59.55 2nx3 s THR 80 Cb -0.03 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.90 2nx3 s THR 80 CO -0.01 -0.47 0.54 1.51 -2.21 0.00 0.00 174.62 173.99 2nx3 s ASP 81 N -2.22 6.49 0.33 8.08 -4.77 -1.26 -1.36 116.67 121.95 2nx3 s ASP 81 Ca -0.03 0.75 0.10 0.00 -3.30 0.00 0.00 52.55 50.07 2nx3 s ASP 81 Cb 0.00 -2.16 -0.06 0.00 -1.09 0.00 0.00 42.92 39.61 2nx3 s ASP 81 CO -0.05 -0.16 -0.06 0.27 0.70 0.00 0.00 175.17 175.87 2nx3 s ILE 82 N -2.01 2.47 0.00 2.11 -4.36 -0.84 -4.75 121.20 113.83 2nx3 s ILE 82 Ca 0.45 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 2nx3 s ILE 82 Cb -0.11 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 40.93 2nx3 s ILE 82 CO 0.28 -0.23 0.00 1.41 0.24 0.00 0.00 174.94 176.63 2nx3 n HIS 83 N -0.84 0.00 -3.93 1.37 8.25 -1.26 -4.34 115.22 114.47 2nx3 n HIS 83 Ca -0.05 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.31 2nx3 n HIS 83 Cb 0.62 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.93 0.36 0.37 -0.41 2.02 -1.26 -5.07 118.70 113.78 2nx3 s GLU 84 Ca 0.00 -0.48 0.17 0.00 0.02 0.00 0.00 54.97 54.68 2nx3 s GLU 84 Cb 0.00 0.14 1.09 0.00 0.10 0.00 0.00 34.13 35.46 2nx3 s GLU 84 CO 0.00 -0.07 1.72 0.77 0.02 0.00 0.00 175.26 177.70 2nx3 h SER 85 N 4.62 0.49 0.64 -0.19 0.02 -1.91 -2.01 113.55 115.20 2nx3 h SER 85 Ca -0.31 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2nx3 h SER 85 Cb 1.20 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2nx3 h SER 85 CO 0.41 0.02 0.00 -2.67 -1.14 0.00 0.00 176.83 173.45 2nx3 n TRP 86 N -4.77 0.80 0.18 3.45 4.27 -1.26 -2.95 117.44 117.16 2nx3 n TRP 86 Ca 0.28 0.32 0.10 0.00 -3.89 0.00 0.00 57.50 54.32 2nx3 n TRP 86 Cb 0.94 -1.02 0.11 0.00 -1.36 0.00 0.00 31.31 29.97 2nx3 n TRP 86 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 2nx3 h GLN 87 N 0.00 0.00 -0.06 -2.67 4.20 -1.80 -3.37 115.11 111.41 2nx3 h GLN 87 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2nx3 h GLN 87 Cb 0.32 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 2nx3 h GLN 87 CO 0.00 0.06 -0.19 0.00 -0.67 0.00 0.00 178.83 178.03 2nx3 h ALA 88 N 1.93 -0.19 0.50 3.87 0.00 -1.70 -1.54 119.26 122.13 2nx3 h ALA 88 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2nx3 h ALA 88 Cb 1.06 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2nx3 h ALA 88 CO 0.01 -0.67 -0.51 1.49 0.00 0.00 0.00 179.25 179.57 2nx3 h GLU 89 N -0.28 -0.98 -0.89 0.00 4.81 -1.80 0.14 114.58 115.58 2nx3 h GLU 89 Ca 0.08 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 2nx3 h GLU 89 Cb 0.39 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 2nx3 h GLU 89 CO -0.22 -0.65 0.58 -1.00 -0.73 0.00 0.00 179.01 176.99 2nx3 h PRO 90 N -1.02 1.01 -0.01 0.92 0.13 -1.75 -1.96 132.00 129.32 2nx3 h PRO 90 Ca -0.06 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 2nx3 h PRO 90 Cb 0.88 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 2nx3 h PRO 90 CO -0.07 0.67 -0.41 0.28 -0.23 0.00 0.00 178.00 178.23 2nx3 h VAL 91 N 1.04 1.30 0.00 1.56 2.07 -0.96 -2.72 116.25 118.53 2nx3 h VAL 91 Ca 0.38 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2nx3 h VAL 91 Cb 0.16 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2nx3 h VAL 91 CO -0.14 0.41 0.00 0.00 0.02 0.00 0.00 177.57 177.87 2nx3 h ALA 92 N 1.56 1.00 0.00 1.67 0.00 0.09 0.47 119.26 124.05 2nx3 h ALA 92 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nx3 h ALA 92 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2nx3 h ALA 92 CO 0.05 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.69 2nx3 n GLU 93 N -2.76 0.17 0.00 0.00 -0.58 -1.03 -3.96 120.64 112.49 2nx3 n GLU 93 Ca -0.01 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 2nx3 n GLU 93 Cb 0.12 -1.82 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 2nx3 n GLU 93 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2nx3 n VAL 94 N -2.13 0.00 -2.77 2.62 3.14 -0.89 -5.08 118.33 113.22 2nx3 n VAL 94 Ca 0.02 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.99 2nx3 n VAL 94 Cb 0.23 -0.03 -0.03 0.00 -1.06 0.00 0.00 33.84 32.94 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 -0.73 3.20 -0.05 1.55 0.00 0.10 -4.55 121.76 121.29 2nx3 s ALA 95 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2nx3 s ALA 95 Cb 0.00 -3.27 -0.26 0.00 0.00 0.00 0.00 23.12 19.59 2nx3 s ALA 95 CO 0.00 -0.18 0.64 -0.44 0.00 0.00 0.00 175.76 175.78 2nx3 h ASP 96 N 6.60 0.29 -3.25 0.00 3.32 0.02 -3.44 116.42 119.95 2nx3 h ASP 96 Ca -0.41 -0.52 -0.55 0.00 0.02 0.00 0.00 57.03 55.57 2nx3 h ASP 96 Cb 1.22 -0.09 -0.35 0.00 0.22 0.00 0.00 39.33 40.32 2nx3 h ASP 96 CO 0.74 1.46 -0.82 -0.63 -1.72 0.00 0.00 179.24 178.28 2nx3 s ILE 97 N -2.59 1.22 -0.28 0.35 1.01 -0.96 -2.48 121.20 117.47 2nx3 s ILE 97 Ca -0.12 -0.46 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 2nx3 s ILE 97 Cb 0.07 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2nx3 s ILE 97 CO 0.82 0.39 0.37 -0.63 0.00 0.00 0.00 174.94 175.89 2nx3 s ILE 98 N 1.26 5.17 0.10 2.92 1.01 0.60 -3.03 121.20 129.24 2nx3 s ILE 98 Ca -0.02 0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.95 2nx3 s ILE 98 Cb -0.14 -3.71 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 2nx3 s ILE 98 CO -0.04 0.14 0.61 -1.58 0.00 0.00 0.00 174.94 174.07 2nx3 s GLN 99 N 2.07 4.26 -0.20 2.79 0.74 -0.46 -1.45 119.66 127.39 2nx3 s GLN 99 Ca 0.15 0.81 -0.02 0.00 0.05 0.00 0.00 55.36 56.34 2nx3 s GLN 99 Cb -0.16 -3.20 -0.00 0.00 1.10 0.00 0.00 33.01 30.75 2nx3 s GLN 99 CO 0.10 0.60 -0.10 0.42 -0.55 0.00 0.00 175.29 175.77 2nx3 s ILE 100 N -1.17 2.96 0.59 -2.34 -1.09 0.26 -1.98 121.20 118.44 2nx3 s ILE 100 Ca 0.32 -0.64 -0.19 0.00 -2.23 0.00 0.00 60.65 57.91 2nx3 s ILE 100 Cb -0.20 -2.32 -0.05 0.00 -1.58 0.00 0.00 42.46 38.32 2nx3 s ILE 100 CO 0.20 0.47 1.10 -2.65 -1.23 0.00 0.00 174.94 172.83 2nx3 n PRO 101 N 4.63 1.11 -0.09 2.79 -0.02 -1.26 -1.42 135.00 140.73 2nx3 n PRO 101 Ca -0.19 0.42 -0.06 0.00 -2.02 0.00 0.00 63.50 61.65 2nx3 n PRO 101 Cb 0.51 -2.30 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.74 0.33 0.00 3.55 0.00 -1.90 -1.36 119.26 120.63 2nx3 h ALA 102 Ca -0.49 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2nx3 h ALA 102 Cb 1.35 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2nx3 h ALA 102 CO 0.53 -0.37 -0.01 0.74 0.00 0.00 0.00 179.25 180.14 2nx3 h PHE 103 N 0.14 0.00 -0.53 0.00 0.04 -1.92 -2.69 116.94 111.99 2nx3 h PHE 103 Ca 0.16 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2nx3 h PHE 103 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 2nx3 h PHE 103 CO -0.21 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 178.79 2nx3 n LEU 104 N -3.12 3.51 0.16 1.54 4.77 -0.56 -4.61 117.00 118.69 2nx3 n LEU 104 Ca -0.02 -2.06 0.11 0.00 -0.03 0.00 0.00 56.01 54.02 2nx3 n LEU 104 Cb 0.17 -0.37 0.58 0.00 -2.33 0.00 0.00 43.42 41.47 2nx3 n LEU 104 CO 0.23 0.84 0.83 0.00 -1.33 0.00 0.00 177.39 177.97 2nx3 n ARG 106 N -2.25 1.32 -2.61 0.00 5.12 -1.26 -4.89 116.66 112.09 2nx3 n ARG 106 Ca -0.01 -1.45 -0.41 0.00 -1.93 0.00 0.00 57.85 54.05 2nx3 n ARG 106 Cb 0.04 -1.31 -0.03 0.00 -1.16 0.00 0.00 32.46 30.00 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 -1.41 3.31 0.19 5.56 -1.52 -0.51 -4.91 119.66 120.37 2nx3 s GLN 107 Ca 0.19 -0.63 -0.22 0.00 -1.95 0.00 0.00 55.36 52.75 2nx3 s GLN 107 Cb 0.14 -4.54 0.12 0.00 -0.22 0.00 0.00 33.01 28.50 2nx3 s GLN 107 CO 0.22 -2.11 1.57 1.15 -0.25 0.00 0.00 175.29 175.87 2nx3 h THR 108 N 6.22 0.10 0.00 -0.19 2.02 -1.90 -1.75 112.91 117.42 2nx3 h THR 108 Ca -0.13 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2nx3 h THR 108 Cb 1.04 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2nx3 h THR 108 CO 1.30 0.00 -0.08 0.44 0.37 0.00 0.00 175.52 177.55 2nx3 h ASP 109 N -0.14 0.00 0.25 4.18 3.32 -1.99 -0.51 116.42 121.53 2nx3 h ASP 109 Ca 0.24 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.03 2nx3 h ASP 109 Cb 0.56 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.12 2nx3 h ASP 109 CO -0.75 0.08 -1.06 0.25 -1.72 0.00 0.00 179.24 176.03 2nx3 h LEU 110 N 0.00 0.68 -0.32 1.55 5.85 -1.72 -1.46 115.31 119.89 2nx3 h LEU 110 Ca -0.00 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 58.07 2nx3 h LEU 110 Cb 0.16 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2nx3 h LEU 110 CO 0.01 1.39 -0.06 -0.07 -0.34 0.00 0.00 178.44 179.37 2nx3 h LEU 111 N 0.26 0.61 -0.49 2.25 3.38 -0.99 -2.12 115.31 118.22 2nx3 h LEU 111 Ca -0.12 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2nx3 h LEU 111 Cb 1.72 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 2nx3 h LEU 111 CO 0.19 0.82 0.20 -0.07 0.09 0.00 0.00 178.44 179.68 2nx3 h LEU 112 N 0.39 0.67 -0.98 1.67 3.38 -1.13 -0.92 115.31 118.39 2nx3 h LEU 112 Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2nx3 h LEU 112 Cb 0.55 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2nx3 h LEU 112 CO 0.03 0.64 0.47 0.00 0.09 0.00 0.00 178.44 179.67 2nx3 h ALA 113 N 1.05 1.22 -0.02 1.53 0.00 -1.20 0.31 119.26 122.15 2nx3 h ALA 113 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2nx3 h ALA 113 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2nx3 h ALA 113 CO -0.01 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.87 2nx3 h ALA 114 N 1.33 0.03 -0.11 0.00 0.00 -1.08 -2.93 119.26 116.49 2nx3 h ALA 114 Ca 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2nx3 h ALA 114 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2nx3 h ALA 114 CO -0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 179.25 178.82 2nx3 h ALA 115 N 0.82 1.80 0.00 0.00 0.00 -0.72 -2.46 119.26 118.70 2nx3 h ALA 115 Ca 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2nx3 h ALA 115 Cb 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2nx3 h ALA 115 CO -0.00 0.16 -0.12 -0.22 0.00 0.00 0.00 179.25 179.07 2nx3 h LYS 116 N 0.15 0.00 0.00 0.00 1.63 -0.76 -2.86 116.57 114.73 2nx3 h LYS 116 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2nx3 h LYS 116 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2nx3 h LYS 116 CO 0.00 0.12 0.00 1.79 -3.45 0.00 0.00 179.45 177.91 2nx3 h THR 117 N 0.00 0.00 0.00 1.00 1.35 -1.41 -3.46 112.91 110.38 2nx3 h THR 117 Ca -0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2nx3 h THR 117 Cb 0.43 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2nx3 h THR 117 CO 0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 2nx3 n GLY 118 N 0.12 1.29 3.92 5.82 0.00 -1.08 -5.03 105.19 110.23 2nx3 n GLY 118 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.42 2.99 0.69 1.61 1.81 -1.26 -4.90 118.95 119.47 2nx3 s ARG 119 Ca 0.00 -0.03 -0.13 0.00 -1.72 0.00 0.00 55.73 53.84 2nx3 s ARG 119 Cb 0.00 -2.31 0.02 0.00 -0.45 0.00 0.00 34.95 32.21 2nx3 s ARG 119 CO 0.00 -0.61 1.10 0.00 -0.68 0.00 0.00 175.30 175.10 2nx3 s ALA 120 N -2.93 2.43 -0.02 2.13 0.00 -1.04 -4.77 121.76 117.57 2nx3 s ALA 120 Ca 0.53 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.92 2nx3 s ALA 120 Cb -0.10 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.73 2nx3 s ALA 120 CO 0.44 -1.40 -0.06 0.08 0.00 0.00 0.00 175.76 174.82 2nx3 s VAL 121 N -2.58 0.56 -0.15 0.00 1.01 -0.65 -0.29 120.40 118.30 2nx3 s VAL 121 Ca 0.64 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2nx3 s VAL 121 Cb -0.19 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.70 2nx3 s VAL 121 CO 0.47 0.19 -0.16 0.21 0.00 0.00 0.00 175.10 175.80 2nx3 s ASN 122 N 0.29 2.81 -0.24 3.32 2.47 -0.53 -0.99 114.94 122.08 2nx3 s ASN 122 Ca -0.04 -0.53 -0.09 0.00 0.42 0.00 0.00 52.86 52.62 2nx3 s ASN 122 Cb -0.08 -1.27 -0.04 0.00 -1.45 0.00 0.00 41.25 38.41 2nx3 s ASN 122 CO 0.00 -0.03 0.11 -0.69 -3.72 0.00 0.00 177.10 172.77 2nx3 s VAL 123 N 1.38 4.77 0.02 -5.21 1.01 -0.40 -0.57 120.40 121.38 2nx3 s VAL 123 Ca 0.04 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2nx3 s VAL 123 Cb -0.13 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 2nx3 s VAL 123 CO -0.11 0.34 1.19 -0.54 0.00 0.00 0.00 175.10 175.98 2nx3 s LYS 124 N 1.36 4.41 -0.04 2.72 -0.14 -0.51 -0.89 119.74 126.66 2nx3 s LYS 124 Ca 0.06 1.72 -0.30 0.00 -1.36 0.00 0.00 55.97 56.09 2nx3 s LYS 124 Cb -0.15 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.53 2nx3 s LYS 124 CO 0.05 -0.31 1.43 0.21 -0.76 0.00 0.00 175.35 175.97 2nx3 s LYS 125 N 1.46 4.25 0.51 1.68 2.20 -0.04 -3.98 119.74 125.83 2nx3 s LYS 125 Ca 0.58 1.95 -0.22 0.00 -0.36 0.00 0.00 55.97 57.92 2nx3 s LYS 125 Cb -0.27 -3.70 -0.07 0.00 -1.51 0.00 0.00 37.83 32.28 2nx3 s LYS 125 CO 0.27 -0.66 1.25 0.41 -0.36 0.00 0.00 175.35 176.26 2nx3 n GLY 126 N 3.74 0.48 0.03 5.54 0.00 -1.23 -4.59 105.19 109.15 2nx3 n GLY 126 Ca 0.14 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.64 0.03 -0.03 1.61 3.00 -1.26 -1.09 117.38 118.99 2nx3 n GLN 127 Ca 0.10 0.46 0.08 0.00 -0.01 0.00 0.00 57.00 57.63 2nx3 n GLN 127 Cb 0.43 -1.57 0.09 0.00 0.00 0.00 0.00 30.24 29.19 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 -1.63 0.08 -3.79 1.08 1.16 -1.26 -1.66 117.46 111.44 2nx3 n PHE 128 Ca 0.01 -0.06 -0.37 0.00 -1.87 0.00 0.00 57.45 55.16 2nx3 n PHE 128 Cb 0.05 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.86 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 -1.34 4.35 0.37 5.98 2.96 -0.25 -5.08 118.68 125.67 2nx3 s LEU 129 Ca 0.21 0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 54.40 2nx3 s LEU 129 Cb 0.14 -2.14 -0.10 0.00 0.50 0.00 0.00 46.19 44.60 2nx3 s LEU 129 CO 0.21 0.33 0.85 0.00 -1.32 0.00 0.00 176.35 176.43 2nx3 s ALA 130 N -0.65 3.18 0.24 5.97 0.00 -1.26 -4.88 121.76 124.36 2nx3 s ALA 130 Ca 0.14 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 2nx3 s ALA 130 Cb -0.12 -2.98 0.42 0.00 0.00 0.00 0.00 23.12 20.44 2nx3 s ALA 130 CO 0.04 0.23 1.74 -1.35 0.00 0.00 0.00 175.76 176.41 2nx3 h PRO 131 N 2.21 0.45 0.00 0.00 0.11 -1.98 -0.79 132.00 132.00 2nx3 h PRO 131 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2nx3 h PRO 131 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2nx3 h PRO 131 CO 0.63 0.30 0.00 0.11 -0.21 0.00 0.00 178.00 178.83 2nx3 h TRP 132 N 0.46 0.00 0.00 0.65 0.09 -1.94 -2.21 115.95 113.00 2nx3 h TRP 132 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.37 2nx3 h TRP 132 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.81 2nx3 h TRP 132 CO -0.16 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.12 2nx3 n ASP 133 N -2.81 0.00 0.16 0.11 8.00 -0.30 -2.90 116.55 118.80 2nx3 n ASP 133 Ca 0.00 0.20 0.13 0.00 0.71 0.00 0.00 54.79 55.84 2nx3 n ASP 133 Cb 0.23 -0.39 0.46 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.66 -3.53 1.35 -1.46 -3.18 112.91 105.43 2nx3 h THR 134 Ca 0.00 -0.44 0.03 0.00 -0.55 0.00 0.00 66.41 65.45 2nx3 h THR 134 Cb 0.35 1.33 -0.04 0.00 -1.73 0.00 0.00 68.15 68.05 2nx3 h THR 134 CO 0.00 0.00 0.41 0.50 -0.25 0.00 0.00 175.52 176.18 2nx3 h LYS 135 N 0.00 0.77 -0.35 4.72 3.64 -1.73 -1.25 116.57 122.38 2nx3 h LYS 135 Ca 0.00 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2nx3 h LYS 135 Cb 0.57 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2nx3 h LYS 135 CO 0.00 0.51 0.04 -0.91 -2.27 0.00 0.00 179.45 176.83 2nx3 h ASN 136 N 0.80 0.48 -0.55 4.20 2.35 -1.80 -0.40 115.58 120.65 2nx3 h ASN 136 Ca 0.27 -0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2nx3 h ASN 136 Cb 0.03 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2nx3 h ASN 136 CO -0.11 0.51 0.21 0.58 -1.65 0.00 0.00 177.43 176.97 2nx3 h VAL 137 N 0.50 1.23 -0.43 2.81 2.07 -1.40 0.29 116.25 121.32 2nx3 h VAL 137 Ca 0.11 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 2nx3 h VAL 137 Cb 0.26 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2nx3 h VAL 137 CO 0.00 0.27 -0.18 0.58 0.02 0.00 0.00 177.57 178.27 2nx3 h VAL 138 N 0.75 1.27 -0.61 2.57 2.07 -0.77 -2.52 116.25 119.01 2nx3 h VAL 138 Ca 0.18 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 2nx3 h VAL 138 Cb 0.22 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2nx3 h VAL 138 CO -0.01 0.44 0.22 -0.08 0.02 0.00 0.00 177.57 178.16 2nx3 h GLU 139 N 0.73 0.90 -0.41 1.57 4.81 -0.41 -2.06 114.58 119.71 2nx3 h GLU 139 Ca 0.11 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2nx3 h GLU 139 Cb 0.70 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2nx3 h GLU 139 CO 0.05 0.75 0.15 0.87 -0.73 0.00 0.00 179.01 180.10 2nx3 h LYS 140 N 0.88 0.63 -0.81 1.92 1.57 -0.66 -2.25 116.57 117.85 2nx3 h LYS 140 Ca 0.20 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2nx3 h LYS 140 Cb 0.21 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2nx3 h LYS 140 CO -0.01 0.61 0.39 -0.07 -0.57 0.00 0.00 179.45 179.80 2nx3 h LEU 141 N 0.53 1.06 -0.73 2.94 3.38 -1.02 -2.20 115.31 119.26 2nx3 h LEU 141 Ca 0.14 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2nx3 h LEU 141 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2nx3 h LEU 141 CO -0.01 0.89 -0.24 0.11 0.09 0.00 0.00 178.44 179.28 2nx3 h LYS 142 N 1.16 0.71 -0.88 1.13 1.57 -1.31 -0.70 116.57 118.25 2nx3 h LYS 142 Ca 0.28 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2nx3 h LYS 142 Cb 0.11 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 2nx3 h LYS 142 CO -0.04 0.89 0.58 0.35 -0.57 0.00 0.00 179.45 180.66 2nx3 h PHE 143 N 0.62 1.07 0.00 -1.35 3.57 -0.96 0.47 116.94 120.36 2nx3 h PHE 143 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2nx3 h PHE 143 Cb 0.74 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2nx3 h PHE 143 CO 0.04 0.64 0.00 0.41 -2.23 0.00 0.00 178.31 177.16 2nx3 n GLY 144 N -1.40 -1.25 0.00 2.40 0.00 -0.87 -4.90 105.19 99.18 2nx3 n GLY 144 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.12 1.06 3.77 -0.02 0.00 0.16 -3.82 105.19 107.45 2nx3 n GLY 145 Ca 0.12 0.00 -0.39 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 3.30 -0.15 4.61 0.00 -0.30 -4.89 121.76 122.33 2nx3 s ALA 146 Ca 0.00 0.85 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 2nx3 s ALA 146 Cb 0.00 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 2nx3 s ALA 146 CO 0.00 -0.21 -0.18 1.63 0.00 0.00 0.00 175.76 177.00 2nx3 n LYS 147 N 0.75 0.33 -3.49 0.00 4.76 -1.26 -4.44 118.16 114.80 2nx3 n LYS 147 Ca 0.01 0.13 -0.41 0.00 -2.87 0.00 0.00 58.31 55.17 2nx3 n LYS 147 Cb 0.46 -1.09 -0.10 0.00 -1.84 0.00 0.00 35.03 32.46 2nx3 n LYS 147 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2nx3 s GLU 148 N -2.28 3.41 -0.04 1.97 2.12 -1.26 -5.06 118.70 117.56 2nx3 s GLU 148 Ca -0.21 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.50 2nx3 s GLU 148 Cb 0.07 -3.84 -0.00 0.00 0.26 0.00 0.00 34.13 30.62 2nx3 s GLU 148 CO 0.28 -0.52 -0.17 0.42 -0.54 0.00 0.00 175.26 174.73 2nx3 s ILE 149 N 1.79 1.38 0.12 -3.70 1.01 -1.26 -1.63 121.20 118.91 2nx3 s ILE 149 Ca 0.07 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2nx3 s ILE 149 Cb -0.17 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2nx3 s ILE 149 CO 0.11 0.40 -0.19 -0.31 0.00 0.00 0.00 174.94 174.94 2nx3 s TYR 150 N -0.03 1.76 -0.05 3.97 2.02 -0.16 -2.96 117.35 121.90 2nx3 s TYR 150 Ca -0.02 -0.45 0.03 0.00 -0.37 0.00 0.00 57.07 56.27 2nx3 s TYR 150 Cb -0.10 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.53 2nx3 s TYR 150 CO 0.02 0.24 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.59 2nx3 s LEU 151 N -2.20 1.78 -0.10 -1.29 1.43 -0.51 -1.28 118.68 116.51 2nx3 s LEU 151 Ca 0.10 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2nx3 s LEU 151 Cb -0.08 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 2nx3 s LEU 151 CO 0.05 0.09 -0.17 -0.89 0.23 0.00 0.00 176.35 175.66 2nx3 s THR 152 N 0.31 2.73 -0.17 5.49 2.01 -0.06 -1.12 115.64 124.83 2nx3 s THR 152 Ca -0.08 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 60.90 2nx3 s THR 152 Cb -0.12 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2nx3 s THR 152 CO 0.02 0.55 0.72 -0.70 -0.69 0.00 0.00 174.62 174.52 2nx3 s GLU 153 N 0.13 4.28 -0.02 4.92 2.56 0.13 -0.86 118.70 129.84 2nx3 s GLU 153 Ca -0.09 0.82 0.10 0.00 0.00 0.00 0.00 54.97 55.81 2nx3 s GLU 153 Cb -0.15 -3.56 0.17 0.00 2.00 0.00 0.00 34.13 32.59 2nx3 s GLU 153 CO 0.05 -0.23 1.07 2.89 -0.56 0.00 0.00 175.26 178.49 2nx3 n ARG 154 N 4.93 0.16 0.00 4.30 1.85 -1.26 -0.62 116.66 126.01 2nx3 n ARG 154 Ca 0.01 -1.52 0.00 0.00 -1.00 0.00 0.00 57.85 55.34 2nx3 n ARG 154 Cb 0.50 -0.46 0.00 0.00 -1.05 0.00 0.00 32.46 31.45 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 1.54 3.06 2.89 0.00 -1.26 -3.76 105.19 107.67 2nx3 n GLY 155 Ca 0.04 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.62 0.78 -0.08 2.61 2.01 0.92 -4.37 115.64 114.89 2nx3 s THR 156 Ca 0.00 -0.66 -0.34 0.00 0.31 0.00 0.00 61.69 61.00 2nx3 s THR 156 Cb 0.00 -0.70 -0.12 0.00 0.01 0.00 0.00 72.50 71.69 2nx3 s THR 156 CO 0.00 0.04 1.87 0.41 -0.69 0.00 0.00 174.62 176.26 2nx3 n THR 157 N 2.36 0.56 -3.71 -0.82 -1.04 -0.66 -0.67 114.28 110.31 2nx3 n THR 157 Ca -0.16 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.05 61.46 2nx3 n THR 157 Cb 0.56 -1.86 -0.13 0.00 -1.82 0.00 0.00 70.33 67.08 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 3.98 2.13 0.00 -1.42 5.36 -0.80 -4.85 117.98 122.38 2nx3 s PHE 158 Ca 0.92 -2.56 0.00 0.00 -0.96 0.00 0.00 56.93 54.33 2nx3 s PHE 158 Cb -0.69 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.07 2nx3 s PHE 158 CO 0.51 -0.75 0.00 0.41 -1.46 0.00 0.00 175.22 173.93 2nx3 n GLY 159 N 3.23 -1.01 3.88 13.12 0.00 -1.26 -4.42 105.19 118.74 2nx3 n GLY 159 Ca 0.13 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 3.57 -1.43 1.61 2.02 -1.26 -4.40 117.35 117.46 2nx3 s TYR 160 Ca 0.00 0.65 -0.13 0.00 -0.37 0.00 0.00 57.07 57.22 2nx3 s TYR 160 Cb 0.00 -2.05 0.10 0.00 -0.40 0.00 0.00 41.96 39.61 2nx3 s TYR 160 CO 0.00 0.56 0.64 0.09 -1.57 0.00 0.00 175.55 175.27 2nx3 n ASN 161 N 0.92 -3.79 -3.67 2.29 4.13 -1.26 -4.94 115.26 108.94 2nx3 n ASN 161 Ca -0.09 -0.61 -0.15 0.00 1.68 0.00 0.00 54.58 55.41 2nx3 n ASN 161 Cb 0.52 -3.11 -0.08 0.00 -1.54 0.00 0.00 39.78 35.58 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 -2.95 -0.37 0.04 6.41 2.47 -1.26 -4.23 114.94 115.05 2nx3 s ASN 162 Ca 0.53 0.36 0.04 0.00 0.42 0.00 0.00 52.86 54.21 2nx3 s ASN 162 Cb -0.28 0.43 -0.02 0.00 -1.45 0.00 0.00 41.25 39.92 2nx3 s ASN 162 CO 0.66 -0.49 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.66 2nx3 s LEU 163 N -1.19 2.19 0.09 3.21 1.43 -1.26 -1.90 118.68 121.25 2nx3 s LEU 163 Ca -0.12 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 2nx3 s LEU 163 Cb -0.03 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 2nx3 s LEU 163 CO 0.06 -0.02 -0.19 0.54 0.23 0.00 0.00 176.35 176.98 2nx3 s VAL 164 N -0.94 1.52 -0.28 -1.59 0.11 0.16 -4.81 120.40 114.56 2nx3 s VAL 164 Ca -0.01 -1.46 -0.09 0.00 -2.93 0.00 0.00 61.98 57.49 2nx3 s VAL 164 Cb -0.08 -1.40 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 2nx3 s VAL 164 CO 0.01 -0.11 0.13 -0.69 -3.33 0.00 0.00 175.10 171.12 2nx3 s VAL 165 N -1.19 4.68 -0.70 2.04 1.01 -1.26 -0.05 120.40 124.93 2nx3 s VAL 165 Ca 0.04 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 2nx3 s VAL 165 Cb -0.10 -3.27 0.16 0.00 0.00 0.00 0.00 36.38 33.17 2nx3 s VAL 165 CO 0.04 0.22 0.71 -0.62 0.00 0.00 0.00 175.10 175.44 2nx3 s ASP 166 N 1.65 6.45 0.00 3.32 -1.08 -1.26 -4.91 116.67 120.84 2nx3 s ASP 166 Ca 0.06 -2.08 0.01 0.00 -0.52 0.00 0.00 52.55 50.02 2nx3 s ASP 166 Cb -0.16 -2.25 0.06 0.00 -1.46 0.00 0.00 42.92 39.11 2nx3 s ASP 166 CO 0.06 -0.83 0.97 0.49 0.52 0.00 0.00 175.17 176.38 2nx3 n PHE 167 N 5.13 0.00 0.30 -5.34 3.72 -1.26 -1.07 117.46 118.94 2nx3 n PHE 167 Ca 0.01 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.59 2nx3 n PHE 167 Cb 0.44 -0.42 0.78 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.14 -1.08 3.08 -2.03 -2.68 114.38 111.53 2nx3 h ARG 168 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 2nx3 h ARG 168 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2nx3 h ARG 168 CO 0.00 0.00 -0.27 0.66 -1.07 0.00 0.00 179.97 179.29 2nx3 h SER 169 N 0.00 0.25 0.52 7.04 4.64 -1.53 -3.03 113.55 121.44 2nx3 h SER 169 Ca 0.00 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2nx3 h SER 169 Cb 0.33 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2nx3 h SER 169 CO 0.00 0.53 -0.47 -0.07 -0.87 0.00 0.00 176.83 175.95 2nx3 h LEU 170 N 0.23 -1.27 -1.03 5.97 4.07 -1.70 0.30 115.31 121.87 2nx3 h LEU 170 Ca 0.03 0.10 -0.07 0.00 0.08 0.00 0.00 57.88 58.03 2nx3 h LEU 170 Cb 0.61 0.41 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 2nx3 h LEU 170 CO 0.04 -0.65 -0.04 1.55 -1.08 0.00 0.00 178.44 178.27 2nx3 h PRO 171 N -0.98 0.64 0.30 1.13 0.13 -1.75 -0.99 132.00 130.49 2nx3 h PRO 171 Ca -0.06 -0.17 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2nx3 h PRO 171 Cb 0.85 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2nx3 h PRO 171 CO -0.04 0.69 -0.15 0.82 -0.23 0.00 0.00 178.00 179.10 2nx3 h ILE 172 N 0.60 0.71 0.00 -3.56 2.04 -1.37 -2.62 117.51 113.32 2nx3 h ILE 172 Ca 0.12 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.84 2nx3 h ILE 172 Cb 0.44 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 2nx3 h ILE 172 CO 0.02 0.02 -0.24 0.24 0.00 0.00 0.00 178.15 178.19 2nx3 h MET 173 N -0.45 0.00 0.00 2.37 2.86 -0.35 -2.43 114.93 116.93 2nx3 h MET 173 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2nx3 h MET 173 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2nx3 h MET 173 CO 0.07 0.24 0.00 1.17 1.06 0.00 0.00 176.91 179.45 2nx3 n LYS 174 N -3.99 0.16 0.21 1.72 3.00 -0.38 -1.64 118.16 117.23 2nx3 n LYS 174 Ca -0.02 0.60 0.06 0.00 -0.00 0.00 0.00 58.31 58.95 2nx3 n LYS 174 Cb 0.32 -1.96 0.45 0.00 0.00 0.00 0.00 35.03 33.85 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 0.00 0.00 1.64 4.20 -1.42 -3.32 115.11 116.21 2nx3 h GLN 175 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nx3 h GLN 175 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2nx3 h GLN 175 CO 0.00 0.30 -0.53 0.91 -0.67 0.00 0.00 178.83 178.84 2nx3 n TRP 176 N -3.84 0.00 -3.73 2.96 8.01 -0.65 -5.09 117.44 115.10 2nx3 n TRP 176 Ca -0.01 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.15 2nx3 n TRP 176 Cb 0.38 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.31 29.64 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 -1.72 -1.79 0.36 6.99 0.00 -1.07 -5.02 121.76 119.51 2nx3 s ALA 177 Ca 0.01 0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.93 2nx3 s ALA 177 Cb 0.03 0.58 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 2nx3 s ALA 177 CO 0.20 -1.05 1.21 0.15 0.00 0.00 0.00 175.76 176.27 2nx3 s LYS 178 N -3.06 4.24 -0.14 0.00 1.02 -1.16 -4.17 119.74 116.48 2nx3 s LYS 178 Ca 0.13 1.98 -0.01 0.00 0.02 0.00 0.00 55.97 58.09 2nx3 s LYS 178 Cb 0.00 -2.89 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2nx3 s LYS 178 CO 0.01 -0.20 -0.11 0.08 -0.92 0.00 0.00 175.35 174.21 2nx3 s VAL 179 N -1.27 3.22 -0.05 3.17 1.01 -1.26 -1.42 120.40 123.81 2nx3 s VAL 179 Ca 0.52 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.95 2nx3 s VAL 179 Cb -0.34 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2nx3 s VAL 179 CO 0.44 0.51 -0.15 -0.63 0.00 0.00 0.00 175.10 175.27 2nx3 s ILE 180 N 0.43 2.99 -0.23 2.22 1.01 -0.27 0.51 121.20 127.85 2nx3 s ILE 180 Ca -0.09 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 2nx3 s ILE 180 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2nx3 s ILE 180 CO 0.04 0.59 0.09 -0.47 0.00 0.00 0.00 174.94 175.19 2nx3 s TYR 181 N -0.73 3.16 -0.74 3.97 5.04 -0.11 -0.69 117.35 127.26 2nx3 s TYR 181 Ca 0.11 -0.15 -0.21 0.00 -2.44 0.00 0.00 57.07 54.39 2nx3 s TYR 181 Cb -0.11 -2.21 0.09 0.00 0.35 0.00 0.00 41.96 40.09 2nx3 s TYR 181 CO 0.00 -0.14 1.00 0.34 -1.34 0.00 0.00 175.55 175.41 2nx3 s ASP 182 N 1.20 6.31 0.38 4.32 -1.08 0.20 -0.14 116.67 127.86 2nx3 s ASP 182 Ca 0.05 -1.34 0.28 0.00 -0.52 0.00 0.00 52.55 51.02 2nx3 s ASP 182 Cb -0.14 -2.41 1.06 0.00 -1.46 0.00 0.00 42.92 39.97 2nx3 s ASP 182 CO 0.04 -1.31 1.81 0.00 0.52 0.00 0.00 175.17 176.23 2nx3 h ALA 183 N 9.33 1.00 0.00 3.66 0.00 -1.55 -2.94 119.26 128.76 2nx3 h ALA 183 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2nx3 h ALA 183 Cb 1.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2nx3 h ALA 183 CO 1.16 0.00 -0.10 1.15 0.00 0.00 0.00 179.25 181.46 2nx3 h THR 184 N 0.00 0.04 0.00 0.00 2.02 -1.89 -3.39 112.91 109.68 2nx3 h THR 184 Ca 0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 2nx3 h THR 184 Cb 0.51 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2nx3 h THR 184 CO 0.00 0.01 0.00 0.45 0.37 0.00 0.00 175.52 176.35 2nx3 h HIS 185 N -1.00 0.00 0.00 3.16 3.86 -1.90 -3.20 115.15 116.07 2nx3 h HIS 185 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2nx3 h HIS 185 Cb 0.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 2nx3 h HIS 185 CO -0.04 0.00 -0.02 0.77 0.86 0.00 0.00 177.93 179.50 2nx3 h SER 186 N 0.00 0.00 -0.24 2.45 0.02 -1.60 -2.26 113.55 111.92 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 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2nx3 h SER 186 CO 0.00 0.02 0.00 1.33 -1.14 0.00 0.00 176.83 177.04 2nx3 n VAL 187 N -3.22 1.65 -2.96 2.27 0.24 -1.21 -4.71 118.33 110.40 2nx3 n VAL 187 Ca -0.02 -1.52 -0.32 0.00 -2.04 0.00 0.00 64.34 60.45 2nx3 n VAL 187 Cb 0.18 0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 2nx3 n VAL 187 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nx3 s GLN 188 N -1.99 3.94 -0.72 7.34 -2.07 -0.85 -0.78 119.66 124.51 2nx3 s GLN 188 Ca 0.30 0.66 -0.06 0.00 -1.82 0.00 0.00 55.36 54.43 2nx3 s GLN 188 Cb 0.22 -2.37 0.19 0.00 -1.09 0.00 0.00 33.01 29.95 2nx3 s GLN 188 CO 0.10 0.04 0.59 -0.51 -1.32 0.00 0.00 175.29 174.18 2nx3 s LEU 189 N -3.39 5.74 -0.03 2.60 1.43 -0.63 -4.38 118.68 120.02 2nx3 s LEU 189 Ca 0.54 -2.92 -0.39 0.00 -1.03 0.00 0.00 54.13 50.33 2nx3 s LEU 189 Cb -0.10 -1.97 -0.18 0.00 0.03 0.00 0.00 46.19 43.97 2nx3 s LEU 189 CO 0.23 -0.40 1.31 -0.81 0.23 0.00 0.00 176.35 176.91 2nx3 n PRO 190 N 3.48 0.66 -1.82 1.29 -0.04 -1.26 0.13 135.00 137.44 2nx3 n PRO 190 Ca 0.11 0.24 -0.19 0.00 -0.04 0.00 0.00 63.50 63.62 2nx3 n PRO 190 Cb 0.40 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.98 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 2.46 1.09 0.06 0.55 0.00 -1.26 -4.21 105.19 103.88 2nx3 n GLY 191 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.05 -1.25 -0.02 0.00 -0.10 -3.01 103.07 98.75 2nx3 h GLY 192 Ca -0.41 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2nx3 h GLY 192 CO 0.56 0.03 0.00 1.04 0.00 0.00 0.00 176.54 178.17 2nx3 n LEU 193 N -4.98 1.63 0.00 3.11 4.77 -0.17 -4.81 117.00 116.56 2nx3 n LEU 193 Ca -0.07 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2nx3 n LEU 193 Cb 0.11 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2nx3 n LEU 193 CO 0.33 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2nx3 n GLY 194 N 0.29 1.35 0.27 -0.72 0.00 -1.14 -4.07 105.19 101.18 2nx3 n GLY 194 Ca 0.05 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 3.99 0.81 -4.08 1.61 5.75 -1.26 -4.81 116.55 118.56 2nx3 n ASP 195 Ca 0.00 -1.72 -0.10 0.00 -0.01 0.00 0.00 54.79 52.96 2nx3 n ASP 195 Cb 0.00 -0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 39.95 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 -1.86 1.38 0.02 0.11 1.02 -1.26 -3.77 119.74 115.38 2nx3 s LYS 196 Ca 0.23 -1.41 0.01 0.00 0.02 0.00 0.00 55.97 54.82 2nx3 s LYS 196 Cb 0.12 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.77 2nx3 s LYS 196 CO 0.18 -0.52 0.08 -1.12 -0.92 0.00 0.00 175.35 173.04 2nx3 s SER 197 N -3.07 5.60 0.00 2.83 0.01 -1.26 -1.00 113.70 116.81 2nx3 s SER 197 Ca 0.29 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2nx3 s SER 197 Cb 0.03 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2nx3 s SER 197 CO 0.10 0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2nx3 n GLY 198 N 1.01 1.74 0.00 3.44 0.00 -0.33 -4.62 105.19 106.43 2nx3 n GLY 198 Ca -0.12 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2nx3 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nx3 n GLY 199 N 5.00 1.70 2.79 -0.02 0.00 -1.26 -1.61 105.19 111.79 2nx3 n GLY 199 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 2nx3 n GLY 199 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nx3 s MET 200 N -2.00 1.18 0.34 1.61 -1.94 0.04 -4.84 119.30 113.70 2nx3 s MET 200 Ca 0.00 -1.73 0.09 0.00 -1.71 0.00 0.00 55.69 52.35 2nx3 s MET 200 Cb 0.00 -2.44 0.83 0.00 2.01 0.00 0.00 34.83 35.23 2nx3 s MET 200 CO 0.00 -1.06 1.82 -0.09 -0.01 0.00 0.00 175.02 175.67 2nx3 h ARG 201 N 7.30 0.65 -0.19 2.03 9.65 -1.88 -2.41 114.38 129.55 2nx3 h ARG 201 Ca -0.06 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 2nx3 h ARG 201 Cb 0.97 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 2nx3 h ARG 201 CO 0.50 0.43 0.13 1.05 2.80 0.00 0.00 179.97 184.88 2nx3 h GLU 202 N 0.67 0.13 -0.04 0.20 4.11 -1.94 -2.40 114.58 115.31 2nx3 h GLU 202 Ca 0.52 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.95 2nx3 h GLU 202 Cb 0.92 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2nx3 h GLU 202 CO -0.29 0.09 0.00 1.19 0.07 0.00 0.00 179.01 180.07 2nx3 n PHE 203 N -4.50 0.04 0.31 2.06 3.72 -0.91 -4.38 117.46 113.80 2nx3 n PHE 203 Ca 0.01 -0.02 -0.16 0.00 -0.05 0.00 0.00 57.45 57.23 2nx3 n PHE 203 Cb 0.17 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.63 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 2.65 0.37 0.19 4.37 2.04 -1.51 -2.61 117.51 122.99 2nx3 h ILE 204 Ca 0.00 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2nx3 h ILE 204 Cb 0.56 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2nx3 h ILE 204 CO 0.00 0.03 -0.09 0.15 0.00 0.00 0.00 178.15 178.24 2nx3 h PHE 205 N -0.93 -0.23 -0.91 1.37 3.57 -1.77 -2.33 116.94 115.70 2nx3 h PHE 205 Ca -0.08 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.55 2nx3 h PHE 205 Cb 0.65 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 2nx3 h PHE 205 CO -0.01 -0.05 0.53 -1.00 -2.23 0.00 0.00 178.31 175.56 2nx3 h PRO 206 N -0.37 0.77 -0.09 6.41 0.13 -1.79 -0.84 132.00 136.21 2nx3 h PRO 206 Ca -0.03 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.94 2nx3 h PRO 206 Cb 0.29 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 2nx3 h PRO 206 CO 0.04 0.51 -0.47 -0.07 -0.23 0.00 0.00 178.00 177.78 2nx3 h LEU 207 N 0.79 0.25 -0.85 1.56 4.07 -1.40 -2.26 115.31 117.47 2nx3 h LEU 207 Ca 0.48 -0.11 -0.07 0.00 0.08 0.00 0.00 57.88 58.25 2nx3 h LEU 207 Cb 0.59 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2nx3 h LEU 207 CO -0.31 0.68 0.07 0.40 -1.08 0.00 0.00 178.44 178.20 2nx3 h ILE 208 N 0.19 1.25 -0.65 1.22 2.04 -0.67 -1.30 117.51 119.59 2nx3 h ILE 208 Ca 0.01 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.90 2nx3 h ILE 208 Cb 0.90 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2nx3 h ILE 208 CO 0.07 0.36 0.42 0.03 0.00 0.00 0.00 178.15 179.04 2nx3 h ARG 209 N 0.88 0.83 -0.19 2.37 3.08 -0.70 -2.14 114.38 118.51 2nx3 h ARG 209 Ca 0.18 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2nx3 h ARG 209 Cb 0.42 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 2nx3 h ARG 209 CO 0.01 0.55 0.09 0.00 -1.07 0.00 0.00 179.97 179.55 2nx3 h ALA 210 N 1.25 0.25 -0.70 0.04 0.00 -0.92 -1.21 119.26 117.98 2nx3 h ALA 210 Ca 0.25 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2nx3 h ALA 210 Cb -0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2nx3 h ALA 210 CO -0.07 -0.18 0.37 0.00 0.00 0.00 0.00 179.25 179.37 2nx3 h ALA 211 N 0.95 0.95 -0.01 0.00 0.00 -0.91 0.33 119.26 120.56 2nx3 h ALA 211 Ca 0.07 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 2nx3 h ALA 211 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2nx3 h ALA 211 CO -0.01 0.00 -0.87 -0.39 0.00 0.00 0.00 179.25 177.99 2nx3 h VAL 212 N 0.65 1.44 -0.41 0.00 -1.51 -1.31 0.21 116.25 115.31 2nx3 h VAL 212 Ca 0.33 -2.46 -0.03 0.00 -1.23 0.00 0.00 66.70 63.31 2nx3 h VAL 212 Cb 0.29 2.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 2nx3 h VAL 212 CO -0.23 0.73 0.14 0.00 -1.23 0.00 0.00 177.57 176.98 2nx3 h ALA 213 N 0.90 0.54 -0.06 5.19 0.00 -0.52 -2.98 119.26 122.33 2nx3 h ALA 213 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2nx3 h ALA 213 Cb 1.48 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2nx3 h ALA 213 CO 0.14 0.16 0.00 0.28 0.00 0.00 0.00 179.25 179.84 2nx3 h VAL 214 N 0.52 1.25 0.00 0.00 2.07 -0.33 -3.47 116.25 116.28 2nx3 h VAL 214 Ca 0.13 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2nx3 h VAL 214 Cb 0.23 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2nx3 h VAL 214 CO -0.01 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.40 2nx3 n GLY 215 N -0.28 2.72 3.12 2.17 0.00 0.72 -4.85 105.19 108.79 2nx3 n GLY 215 Ca -0.07 -0.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.71 1.51 0.00 0.00 8.00 0.18 -4.97 116.55 119.56 2nx3 n ASP 217 Ca 0.05 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.30 2nx3 n ASP 217 Cb 0.57 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 42.35 2nx3 n ASP 217 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nx3 n GLY 218 N 1.37 0.76 3.26 0.44 0.00 -1.13 -2.00 105.19 107.88 2nx3 n GLY 218 Ca 0.06 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 2nx3 n GLY 218 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nx3 s VAL 219 N -2.00 1.64 -0.22 1.61 -7.23 -0.08 -0.93 120.40 113.20 2nx3 s VAL 219 Ca 0.00 -1.33 -0.03 0.00 -1.81 0.00 0.00 61.98 58.80 2nx3 s VAL 219 Cb 0.00 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.48 2nx3 s VAL 219 CO 0.00 0.07 -0.06 0.12 -0.31 0.00 0.00 175.10 174.92 2nx3 s PHE 220 N -0.96 2.95 -0.07 2.82 5.36 0.80 -1.52 117.98 127.36 2nx3 s PHE 220 Ca 0.06 -1.09 -0.01 0.00 -0.96 0.00 0.00 56.93 54.93 2nx3 s PHE 220 Cb -0.09 -2.08 0.03 0.00 -0.34 0.00 0.00 43.02 40.53 2nx3 s PHE 220 CO 0.03 -0.60 0.01 -1.64 -1.46 0.00 0.00 175.22 171.55 2nx3 s MET 221 N 1.44 0.57 0.12 10.12 -1.94 -0.03 -1.46 119.30 128.12 2nx3 s MET 221 Ca 0.05 0.12 -0.20 0.00 -1.71 0.00 0.00 55.69 53.95 2nx3 s MET 221 Cb -0.14 -0.95 -0.07 0.00 2.01 0.00 0.00 34.83 35.68 2nx3 s MET 221 CO -0.04 -0.31 0.64 -1.21 -0.01 0.00 0.00 175.02 174.09 2nx3 s GLU 222 N 1.98 4.28 0.18 2.03 2.02 -1.26 -3.06 118.70 124.87 2nx3 s GLU 222 Ca 0.05 0.83 0.01 0.00 0.02 0.00 0.00 54.97 55.88 2nx3 s GLU 222 Cb -0.12 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2nx3 s GLU 222 CO -0.05 0.58 0.05 -0.08 0.02 0.00 0.00 175.26 175.77 2nx3 s THR 223 N -1.21 0.44 -0.28 3.63 -1.32 -0.04 -2.14 115.64 114.73 2nx3 s THR 223 Ca 0.33 -1.97 -0.22 0.00 -1.21 0.00 0.00 61.69 58.63 2nx3 s THR 223 Cb -0.20 -2.23 0.10 0.00 -1.51 0.00 0.00 72.50 68.66 2nx3 s THR 223 CO 0.21 -0.34 0.87 -2.28 -2.21 0.00 0.00 174.62 170.87 2nx3 s HIS 224 N -3.82 -0.70 0.43 9.09 2.46 -0.57 -3.34 115.29 118.85 2nx3 s HIS 224 Ca 0.28 1.57 0.17 0.00 0.47 0.00 0.00 55.06 57.55 2nx3 s HIS 224 Cb 0.07 0.38 1.09 0.00 -0.13 0.00 0.00 32.58 33.99 2nx3 s HIS 224 CO 0.06 -0.34 1.88 -1.35 -2.47 0.00 0.00 174.74 172.52 2nx3 h PRO 225 N 5.28 0.38 -2.37 2.88 0.11 -1.95 -2.75 132.00 133.58 2nx3 h PRO 225 Ca -0.29 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.23 2nx3 h PRO 225 Cb 1.18 -0.09 -0.38 0.00 0.11 0.00 0.00 31.00 31.83 2nx3 h PRO 225 CO 0.11 0.25 -0.94 -1.21 -0.21 0.00 0.00 178.00 176.01 2nx3 s GLU 226 N -5.40 0.82 0.30 1.05 2.02 -1.26 -4.61 118.70 111.63 2nx3 s GLU 226 Ca -0.08 -1.89 0.02 0.00 0.02 0.00 0.00 54.97 53.04 2nx3 s GLU 226 Cb 0.22 -1.34 0.75 0.00 0.10 0.00 0.00 34.13 33.86 2nx3 s GLU 226 CO 0.78 -1.35 1.60 -1.35 0.02 0.00 0.00 175.26 174.96 2nx3 h PRO 227 N 5.94 0.07 -0.04 0.39 0.11 -1.86 0.18 132.00 136.79 2nx3 h PRO 227 Ca 0.22 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.33 2nx3 h PRO 227 Cb 0.93 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 2nx3 h PRO 227 CO 0.33 0.05 0.07 0.93 -0.21 0.00 0.00 178.00 179.18 2nx3 h GLU 228 N 0.08 0.00 -0.02 1.05 3.07 -1.92 -2.05 114.58 114.79 2nx3 h GLU 228 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 2nx3 h GLU 228 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2nx3 h GLU 228 CO -0.80 0.00 -0.15 1.63 -1.40 0.00 0.00 179.01 178.28 2nx3 n LYS 229 N -3.51 1.82 -1.66 2.33 5.02 0.05 -4.98 118.16 117.23 2nx3 n LYS 229 Ca -0.02 -1.43 -0.42 0.00 -2.02 0.00 0.00 58.31 54.42 2nx3 n LYS 229 Cb 0.16 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2nx3 n LYS 229 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nx3 n ALA 230 N 0.66 0.76 1.61 7.82 0.00 -0.77 -4.87 120.51 125.71 2nx3 n ALA 230 Ca 0.13 0.29 0.15 0.00 0.00 0.00 0.00 53.44 54.01 2nx3 n ALA 230 Cb 0.51 -2.17 0.68 0.00 0.00 0.00 0.00 19.45 18.47 2nx3 n ALA 230 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nx3 n LEU 231 N 0.55 0.64 -3.64 0.00 4.77 -1.26 -4.48 117.00 113.58 2nx3 n LEU 231 Ca 0.07 -0.15 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 2nx3 n LEU 231 Cb 0.38 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.32 2nx3 n LEU 231 CO 0.59 0.11 0.37 -0.94 -1.33 0.00 0.00 177.39 176.20 2nx3 s SER 232 N -2.20 -0.84 -1.75 -1.43 1.04 -1.26 -4.38 113.70 102.89 2nx3 s SER 232 Ca 0.37 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.26 2nx3 s SER 232 Cb 0.21 1.41 0.00 0.00 0.10 0.00 0.00 66.02 67.74 2nx3 s SER 232 CO 0.40 -0.24 0.00 0.47 0.98 0.00 0.00 173.24 174.85 2nx3 n ASP 233 N 3.50 -5.78 -0.19 7.02 9.92 -1.26 -4.82 116.55 124.94 2nx3 n ASP 233 Ca -0.17 -0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.08 2nx3 n ASP 233 Cb 0.57 -4.80 0.07 0.00 -0.64 0.00 0.00 41.12 36.32 2nx3 n ASP 233 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nx3 h ALA 234 N 0.94 0.49 0.00 2.24 0.00 -1.81 -0.79 119.26 120.32 2nx3 h ALA 234 Ca -0.48 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2nx3 h ALA 234 Cb 1.36 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2nx3 h ALA 234 CO 0.57 -0.41 0.22 -1.00 0.00 0.00 0.00 179.25 178.63 2nx3 h PRO 235 N 0.07 0.00 0.00 0.00 0.13 -1.87 -2.47 132.00 127.86 2nx3 h PRO 235 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 2nx3 h PRO 235 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2nx3 h PRO 235 CO -0.53 0.00 -0.56 0.25 -0.23 0.00 0.00 178.00 176.93 2nx3 n THR 236 N -2.33 0.00 -1.88 1.56 -2.24 -0.32 -4.11 114.28 104.97 2nx3 n THR 236 Ca -0.01 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 2nx3 n THR 236 Cb 0.25 0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 2nx3 n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nx3 s ALA 237 N -2.04 3.64 -0.10 6.98 0.00 -0.93 -4.89 121.76 124.43 2nx3 s ALA 237 Ca 0.03 1.48 -0.14 0.00 0.00 0.00 0.00 51.96 53.34 2nx3 s ALA 237 Cb 0.08 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2nx3 s ALA 237 CO 0.43 -0.91 0.34 -1.17 0.00 0.00 0.00 175.76 174.44 2nx3 s LEU 238 N -1.11 4.34 0.16 0.00 2.96 -0.91 -4.79 118.68 119.33 2nx3 s LEU 238 Ca 0.57 0.70 -0.34 0.00 -0.22 0.00 0.00 54.13 54.85 2nx3 s LEU 238 Cb -0.45 -2.45 -0.14 0.00 0.50 0.00 0.00 46.19 43.65 2nx3 s LEU 238 CO 0.52 0.20 1.58 -2.65 -1.32 0.00 0.00 176.35 174.68 2nx3 n PRO 239 N 2.81 2.16 -0.31 0.98 -0.02 -1.26 -1.51 135.00 137.85 2nx3 n PRO 239 Ca -0.13 0.78 0.21 0.00 -2.02 0.00 0.00 63.50 62.34 2nx3 n PRO 239 Cb 0.52 -2.55 0.49 0.00 -0.02 0.00 0.00 33.50 31.94 2nx3 n PRO 239 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2nx3 h LEU 240 N 5.98 0.48 -1.19 2.45 5.85 -1.74 0.00 115.31 127.15 2nx3 h LEU 240 Ca -0.45 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 2nx3 h LEU 240 Cb 1.25 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2nx3 h LEU 240 CO 0.89 0.13 -0.17 0.77 -0.34 0.00 0.00 178.44 179.71 2nx3 h SER 241 N 0.44 0.00 1.42 1.25 4.64 -1.89 -3.12 113.55 116.30 2nx3 h SER 241 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2nx3 h SER 241 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2nx3 h SER 241 CO -0.28 0.17 -0.01 0.00 -0.87 0.00 0.00 176.83 175.85 2nx3 n GLN 242 N -3.34 0.24 -0.32 4.77 6.02 -0.01 -4.10 117.38 120.64 2nx3 n GLN 242 Ca 0.00 0.19 0.02 0.00 -0.01 0.00 0.00 57.00 57.21 2nx3 n GLN 242 Cb 0.40 -1.77 0.16 0.00 1.02 0.00 0.00 30.24 30.05 2nx3 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2nx3 h LEU 243 N 0.00 0.83 -0.09 1.08 4.07 -1.58 -3.00 115.31 116.63 2nx3 h LEU 243 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2nx3 h LEU 243 Cb 0.72 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.31 2nx3 h LEU 243 CO 0.00 0.51 0.05 -0.08 -1.08 0.00 0.00 178.44 177.84 2nx3 h GLU 244 N 0.96 0.11 -0.45 1.13 4.81 -1.82 -2.01 114.58 117.31 2nx3 h GLU 244 Ca 0.40 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2nx3 h GLU 244 Cb 0.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2nx3 h GLU 244 CO -0.20 0.09 0.27 0.78 -0.73 0.00 0.00 179.01 179.22 2nx3 h GLY 245 N 0.10 0.66 0.92 1.92 0.00 -1.81 -1.74 103.07 103.12 2nx3 h GLY 245 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.10 2nx3 h GLY 245 CO -0.01 0.27 0.54 -2.22 0.00 0.00 0.00 176.54 175.13 2nx3 h ILE 246 N 0.60 1.16 -0.57 2.60 2.04 -1.41 -1.15 117.51 120.78 2nx3 h ILE 246 Ca 0.16 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 2nx3 h ILE 246 Cb 0.01 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 2nx3 h ILE 246 CO -0.03 0.19 0.04 0.40 0.00 0.00 0.00 178.15 178.76 2nx3 h ILE 247 N 1.07 1.25 -0.10 -0.67 2.04 -1.11 -1.69 117.51 118.30 2nx3 h ILE 247 Ca 0.32 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.15 2nx3 h ILE 247 Cb -0.04 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2nx3 h ILE 247 CO -0.10 0.38 0.06 -0.08 0.00 0.00 0.00 178.15 178.41 2nx3 h GLU 248 N 0.89 0.12 -0.64 2.37 4.57 -0.53 -1.61 114.58 119.75 2nx3 h GLU 248 Ca 0.17 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 2nx3 h GLU 248 Cb 0.46 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 2nx3 h GLU 248 CO 0.02 0.08 0.40 0.00 -1.18 0.00 0.00 179.01 178.33 2nx3 h ALA 249 N 1.04 0.83 -0.07 2.92 0.00 -0.96 -0.63 119.26 122.40 2nx3 h ALA 249 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2nx3 h ALA 249 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2nx3 h ALA 249 CO -0.02 0.16 -0.33 -0.84 0.00 0.00 0.00 179.25 178.23 2nx3 h ILE 250 N 0.79 1.26 -0.26 0.00 -0.00 -1.10 -0.34 117.51 117.86 2nx3 h ILE 250 Ca 0.26 -1.23 -0.14 0.00 -0.00 0.00 0.00 64.86 63.74 2nx3 h ILE 250 Cb 0.01 1.57 -0.00 0.00 -0.00 0.00 0.00 36.82 38.40 2nx3 h ILE 250 CO -0.10 0.36 -0.40 -0.07 -0.00 0.00 0.00 178.15 177.94 2nx3 h LEU 251 N 0.12 0.81 0.00 0.16 3.38 -0.62 -0.45 115.31 118.71 2nx3 h LEU 251 Ca 0.02 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 2nx3 h LEU 251 Cb 0.64 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2nx3 h LEU 251 CO 0.05 1.17 -0.00 -0.33 0.09 0.00 0.00 178.44 179.41 2nx3 h GLU 252 N 0.47 -0.00 -0.63 1.13 5.08 -0.81 -1.15 114.58 118.66 2nx3 h GLU 252 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2nx3 h GLU 252 Cb 1.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2nx3 h GLU 252 CO 0.09 0.18 0.28 0.82 -1.00 0.00 0.00 179.01 179.38 2nx3 h ILE 253 N -0.19 1.23 -0.49 3.13 2.04 -1.09 -2.15 117.51 119.99 2nx3 h ILE 253 Ca -0.00 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2nx3 h ILE 253 Cb 0.19 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2nx3 h ILE 253 CO 0.00 0.27 0.16 -0.09 0.00 0.00 0.00 178.15 178.49 2nx3 h ARG 254 N 0.87 0.71 -0.60 2.37 2.43 -1.01 0.12 114.38 119.28 2nx3 h ARG 254 Ca 0.21 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 2nx3 h ARG 254 Cb 0.16 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 2nx3 h ARG 254 CO -0.02 0.62 0.28 1.49 -1.51 0.00 0.00 179.97 180.83 2nx3 h GLU 255 N 0.70 0.51 0.09 0.20 4.57 -0.53 0.11 114.58 120.23 2nx3 h GLU 255 Ca 0.16 -0.03 -0.32 0.00 -1.18 0.00 0.00 59.36 57.99 2nx3 h GLU 255 Cb 0.20 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2nx3 h GLU 255 CO -0.01 0.34 -1.72 -0.39 -1.18 0.00 0.00 179.01 176.05 2nx3 h VAL 256 N 0.52 0.91 -0.03 0.32 -1.51 -1.32 -3.38 116.25 111.76 2nx3 h VAL 256 Ca 0.28 -2.63 -0.15 0.00 -1.23 0.00 0.00 66.70 62.96 2nx3 h VAL 256 Cb 0.25 2.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 2nx3 h VAL 256 CO -0.22 0.76 -0.68 0.00 -1.23 0.00 0.00 177.57 176.20 2nx3 h ALA 257 N 0.49 0.80 -0.60 5.19 0.00 -0.67 -3.36 119.26 121.12 2nx3 h ALA 257 Ca -0.31 -0.60 0.11 0.00 0.00 0.00 0.00 54.91 54.11 2nx3 h ALA 257 Cb 2.02 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.60 2nx3 h ALA 257 CO 0.12 0.80 -0.30 0.66 0.00 0.00 0.00 179.25 180.53 2nx3 h SER 258 N 0.10 -1.04 0.00 0.00 4.64 -0.96 -0.97 113.55 115.32 2nx3 h SER 258 Ca -0.01 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2nx3 h SER 258 Cb 1.21 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.84 2nx3 h SER 258 CO 0.10 -0.29 0.31 0.07 -0.87 0.00 0.00 176.83 176.15 2nx3 h LYS 259 N -0.13 0.00 -0.04 4.77 2.10 -1.82 0.11 116.57 121.56 2nx3 h LYS 259 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 2nx3 h LYS 259 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2nx3 h LYS 259 CO -0.67 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.44 2nx3 n TYR 260 N -2.54 0.01 -1.92 0.07 4.01 -0.37 -4.94 117.16 111.49 2nx3 n TYR 260 Ca -0.02 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 2nx3 n TYR 260 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.99 2.01 -0.58 -0.72 2.02 0.39 -4.87 117.35 113.61 2nx3 s TYR 261 Ca 0.30 0.12 -0.26 0.00 -0.37 0.00 0.00 57.07 56.86 2nx3 s TYR 261 Cb 0.20 -3.99 -0.05 0.00 -0.40 0.00 0.00 41.96 37.72 2nx3 s TYR 261 CO 0.31 -4.17 2.17 -1.21 -1.57 0.00 0.00 175.55 171.08 2nx3 s GLU 262 N 3.60 2.29 -0.28 -0.62 8.01 -1.26 -4.88 118.70 125.56 2nx3 s GLU 262 Ca 0.76 0.93 -0.28 0.00 0.01 0.00 0.00 54.97 56.39 2nx3 s GLU 262 Cb -0.37 -4.55 -0.03 0.00 -4.31 0.00 0.00 34.13 24.87 2nx3 s GLU 262 CO 0.33 -3.16 1.96 0.95 0.01 0.00 0.00 175.26 175.35 2nx3 s THR 263 N 11.07 3.29 -2.00 3.63 -4.23 -1.26 -5.11 115.64 121.03 2nx3 s THR 263 Ca 0.84 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.66 2nx3 s THR 263 Cb -0.14 -3.39 0.05 0.00 1.34 0.00 0.00 72.50 70.36 2nx3 s THR 263 CO 0.21 -0.25 0.60 0.00 -0.54 0.00 0.00 174.62 174.64