#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjk s LYS 2 N 0.00 3.65 0.31 2.12 1.02 -1.26 -2.94 119.74 122.64 1xjk s LYS 2 Ca 0.00 0.96 0.01 0.00 0.02 0.00 0.00 55.97 56.96 1xjk s LYS 2 Cb 0.00 -2.09 0.53 0.00 -0.52 0.00 0.00 37.83 35.75 1xjk s LYS 2 CO 0.00 -0.52 1.93 1.25 -0.92 0.00 0.00 175.35 177.08 1xjk h LEU 3 N 0.40 0.89 -0.92 3.17 6.46 -1.86 -2.63 115.31 120.82 1xjk h LEU 3 Ca -0.46 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 57.47 1xjk h LEU 3 Cb 1.20 -0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 40.83 1xjk h LEU 3 CO 0.60 0.59 0.51 0.77 -0.62 0.00 0.00 178.44 180.29 1xjk h SER 4 N 1.02 0.63 0.98 1.25 4.64 -1.97 0.34 113.55 120.45 1xjk h SER 4 Ca 0.37 0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.61 1xjk h SER 4 Cb 0.15 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1xjk h SER 4 CO -0.13 0.24 -0.82 0.44 -0.87 0.00 0.00 176.83 175.69 1xjk h ASP 5 N 0.68 0.00 -0.15 4.97 3.32 -1.87 -2.18 116.42 121.18 1xjk h ASP 5 Ca 0.52 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.43 1xjk h ASP 5 Cb 0.78 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1xjk h ASP 5 CO -0.38 0.82 -0.39 0.25 -1.72 0.00 0.00 179.24 177.83 1xjk h LEU 6 N 0.00 0.72 -0.52 1.55 5.85 -1.07 -2.25 115.31 119.60 1xjk h LEU 6 Ca -0.01 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1xjk h LEU 6 Cb 1.54 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1xjk h LEU 6 CO 0.11 1.03 0.26 0.40 -0.34 0.00 0.00 178.44 179.90 1xjk h ILE 7 N 0.56 1.19 -0.90 4.05 2.04 -0.31 -2.75 117.51 121.40 1xjk h ILE 7 Ca 0.05 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.50 1xjk h ILE 7 Cb 0.91 0.58 -0.08 0.00 -0.74 0.00 0.00 36.82 37.50 1xjk h ILE 7 CO 0.08 0.21 0.54 -1.28 0.00 0.00 0.00 178.15 177.70 1xjk h SER 8 N 0.69 0.79 0.31 1.72 0.87 -1.31 0.64 113.55 117.25 1xjk h SER 8 Ca 0.18 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1xjk h SER 8 Cb 0.09 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1xjk h SER 8 CO -0.02 0.44 0.00 -0.09 -0.53 0.00 0.00 176.83 176.62 1xjk h ARG 9 N 0.89 0.00 0.00 2.24 2.43 -1.10 -3.35 114.38 115.48 1xjk h ARG 9 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1xjk h ARG 9 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1xjk h ARG 9 CO -0.25 0.00 -0.92 0.91 -1.51 0.00 0.00 179.97 178.20 1xjk n TRP 10 N -2.81 0.00 -0.36 2.20 7.02 -0.27 -4.78 117.44 118.44 1xjk n TRP 10 Ca -0.01 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.48 1xjk n TRP 10 Cb 0.13 0.00 0.17 0.00 -2.42 0.00 0.00 31.31 29.20 1xjk n TRP 10 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1xjk h ILE 11 N 0.00 1.13 -0.48 -0.99 2.10 0.08 -0.88 117.51 118.47 1xjk h ILE 11 Ca 0.00 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.53 1xjk h ILE 11 Cb 0.69 -0.17 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 1xjk h ILE 11 CO 0.00 0.22 0.00 0.47 -1.08 0.00 0.00 178.15 177.76 1xjk n ASP 12 N -4.47 3.35 -4.61 2.19 8.00 -1.26 -4.63 116.55 115.11 1xjk n ASP 12 Ca 0.14 -2.23 -0.41 0.00 0.71 0.00 0.00 54.79 53.00 1xjk n ASP 12 Cb 0.14 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.72 1xjk n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xjk s VAL 13 N -1.64 4.99 0.32 2.53 1.01 -0.34 -5.06 120.40 122.22 1xjk s VAL 13 Ca 0.36 0.96 -0.18 0.00 0.00 0.00 0.00 61.98 63.13 1xjk s VAL 13 Cb 0.22 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 1xjk s VAL 13 CO 0.19 -0.02 0.79 -1.61 0.00 0.00 0.00 175.10 174.45 1xjk s GLU 14 N 2.50 4.14 0.94 2.72 2.02 -1.26 -4.94 118.70 124.82 1xjk s GLU 14 Ca 0.25 0.85 -0.12 0.00 0.02 0.00 0.00 54.97 55.96 1xjk s GLU 14 Cb -0.15 -2.50 0.08 0.00 0.10 0.00 0.00 34.13 31.66 1xjk s GLU 14 CO 0.10 0.18 0.67 -2.30 0.02 0.00 0.00 175.26 173.92 1xjk n PRO 15 N -0.13 -0.40 -1.57 0.39 -0.02 -1.26 -4.98 135.00 127.03 1xjk n PRO 15 Ca 0.03 -0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.16 1xjk n PRO 15 Cb 0.53 -2.04 0.13 0.00 -0.02 0.00 0.00 33.50 32.10 1xjk n PRO 15 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1xjk s SER 16 N -2.24 3.57 0.42 2.55 1.04 -1.26 -4.80 113.70 112.98 1xjk s SER 16 Ca 0.60 0.93 0.16 0.00 0.48 0.00 0.00 55.95 58.12 1xjk s SER 16 Cb -0.22 -1.48 0.94 0.00 0.10 0.00 0.00 66.02 65.36 1xjk s SER 16 CO 0.64 -2.51 1.92 0.11 0.98 0.00 0.00 173.24 174.38 1xjk h LYS 17 N -1.47 0.00 0.32 4.02 1.57 -1.99 -1.55 116.57 117.47 1xjk h LYS 17 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1xjk h LYS 17 Cb 1.33 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.61 1xjk h LYS 17 CO 0.62 0.26 -0.38 -0.97 -0.57 0.00 0.00 179.45 178.41 1xjk h ASN 18 N 0.00 -1.04 -0.66 0.86 -1.24 -1.97 -2.24 115.58 109.29 1xjk h ASN 18 Ca -0.00 0.10 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 1xjk h ASN 18 Cb 0.49 0.36 -0.03 0.00 0.73 0.00 0.00 38.32 39.87 1xjk h ASN 18 CO 0.03 -0.51 0.38 0.00 -1.29 0.00 0.00 177.43 176.05 1xjk h ALA 19 N -0.28 1.40 -0.19 1.57 0.00 -1.64 -2.32 119.26 117.81 1xjk h ALA 19 Ca -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1xjk h ALA 19 Cb 0.68 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xjk h ALA 19 CO -0.10 0.50 -0.07 1.96 0.00 0.00 0.00 179.25 181.54 1xjk h GLN 20 N 0.93 0.29 -0.29 0.00 4.20 -1.10 0.24 115.11 119.38 1xjk h GLN 20 Ca 0.24 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 1xjk h GLN 20 Cb 0.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1xjk h GLN 20 CO -0.04 0.37 0.04 0.82 -0.67 0.00 0.00 178.83 179.35 1xjk h ILE 21 N 0.28 1.24 -0.24 2.54 2.04 -0.84 0.12 117.51 122.65 1xjk h ILE 21 Ca 0.06 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.11 1xjk h ILE 21 Cb 0.30 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1xjk h ILE 21 CO 0.01 0.27 0.13 0.40 0.00 0.00 0.00 178.15 178.96 1xjk h ILE 22 N 0.30 1.02 -0.02 -0.67 2.04 -1.15 0.32 117.51 119.35 1xjk h ILE 22 Ca 0.09 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1xjk h ILE 22 Cb 0.36 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1xjk h ILE 22 CO 0.01 0.05 0.01 -0.07 0.00 0.00 0.00 178.15 178.15 1xjk h LEU 23 N 0.28 0.03 -0.63 1.44 3.38 -0.38 -1.08 115.31 118.35 1xjk h LEU 23 Ca 0.10 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xjk h LEU 23 Cb 0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1xjk h LEU 23 CO -0.05 0.14 0.41 0.03 0.09 0.00 0.00 178.44 179.06 1xjk h ARG 24 N -0.08 0.80 -0.26 1.13 3.08 -0.86 0.15 114.38 118.34 1xjk h ARG 24 Ca 0.01 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1xjk h ARG 24 Cb 0.12 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1xjk h ARG 24 CO -0.00 0.53 0.10 0.22 -1.07 0.00 0.00 179.97 179.75 1xjk h ASP 25 N 0.82 0.13 0.00 7.04 3.58 0.12 -3.40 116.42 124.71 1xjk h ASP 25 Ca 0.24 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1xjk h ASP 25 Cb -0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1xjk h ASP 25 CO -0.07 0.11 0.00 -2.11 -2.88 0.00 0.00 179.24 174.29 1xjk n ARG 26 N -5.01 1.52 -0.10 0.28 1.85 -0.45 -4.96 116.66 109.79 1xjk n ARG 26 Ca -0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 56.70 1xjk n ARG 26 Cb 0.08 -0.17 -0.11 0.00 -1.05 0.00 0.00 32.46 31.21 1xjk n ARG 26 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xjk n TYR 27 N -0.22 0.00 -2.08 2.89 4.02 0.45 -4.92 117.16 117.30 1xjk n TYR 27 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1xjk n TYR 27 Cb 0.02 -0.83 -0.03 0.00 -0.02 0.00 0.00 39.34 38.48 1xjk n TYR 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xjk s PHE 28 N -2.42 3.06 0.12 -0.72 0.08 -0.76 -4.79 117.98 112.54 1xjk s PHE 28 Ca -0.22 0.78 -0.31 0.00 0.12 0.00 0.00 56.93 57.30 1xjk s PHE 28 Cb 0.07 -3.78 -0.08 0.00 -0.57 0.00 0.00 43.02 38.66 1xjk s PHE 28 CO 0.56 -2.84 1.40 1.41 -0.10 0.00 0.00 175.22 175.66 1xjk s MET 29 N 1.43 4.31 0.28 0.44 1.75 -1.26 -4.89 119.30 121.36 1xjk s MET 29 Ca 0.67 2.09 0.07 0.00 -1.25 0.00 0.00 55.69 57.27 1xjk s MET 29 Cb -0.38 -3.25 -0.03 0.00 2.84 0.00 0.00 34.83 34.00 1xjk s MET 29 CO 0.30 -0.45 0.21 0.15 -0.65 0.00 0.00 175.02 174.58 1xjk s LYS 30 N 1.14 2.83 0.42 4.11 1.02 -1.26 0.47 119.74 128.47 1xjk s LYS 30 Ca 0.65 -1.15 0.08 0.00 0.02 0.00 0.00 55.97 55.57 1xjk s LYS 30 Cb -0.37 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 1xjk s LYS 30 CO 0.30 0.30 0.51 0.16 -0.92 0.00 0.00 175.35 175.70 1xjk s ASP 31 N -3.88 5.43 0.60 2.83 1.47 0.19 -4.76 116.67 118.56 1xjk s ASP 31 Ca 0.35 -0.55 0.28 0.00 1.18 0.00 0.00 52.55 53.81 1xjk s ASP 31 Cb -0.07 -0.60 1.12 0.00 -0.34 0.00 0.00 42.92 43.02 1xjk s ASP 31 CO 0.25 -0.74 1.50 -0.07 0.68 0.00 0.00 175.17 176.79 1xjk h LEU 32 N 0.76 0.00 0.00 2.11 3.38 -2.01 1.04 115.31 120.60 1xjk h LEU 32 Ca -0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1xjk h LEU 32 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1xjk h LEU 32 CO 0.49 0.00 -0.74 0.44 0.09 0.00 0.00 178.44 178.72 1xjk h ASP 33 N 0.00 0.00 0.00 -0.43 3.32 -2.05 -3.48 116.42 113.78 1xjk h ASP 33 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1xjk h ASP 33 Cb 2.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.92 1xjk h ASP 33 CO -0.00 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1xjk n GLY 34 N 1.16 0.87 3.78 2.75 0.00 0.36 -5.09 105.19 109.03 1xjk n GLY 34 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1xjk n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjk s ASN 35 N -2.27 7.33 0.06 1.61 0.01 -1.26 -4.76 114.94 115.67 1xjk s ASN 35 Ca 0.00 1.86 -0.31 0.00 -0.71 0.00 0.00 52.86 53.71 1xjk s ASN 35 Cb 0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 1xjk s ASN 35 CO 0.00 -0.08 1.35 -0.31 -1.51 0.00 0.00 177.10 176.55 1xjk s TYR 36 N -1.58 3.15 -0.90 2.20 2.02 -1.26 0.55 117.35 121.53 1xjk s TYR 36 Ca 0.50 0.99 0.23 0.00 -0.37 0.00 0.00 57.07 58.42 1xjk s TYR 36 Cb -0.19 -3.61 0.14 0.00 -0.40 0.00 0.00 41.96 37.90 1xjk s TYR 36 CO 0.25 -2.13 1.14 1.28 -1.57 0.00 0.00 175.55 174.52 1xjk n LEU 37 N 4.46 0.69 -3.94 -1.29 4.77 0.18 -4.86 117.00 117.01 1xjk n LEU 37 Ca 0.11 -0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 1xjk n LEU 37 Cb 0.44 -0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 1xjk n LEU 37 CO 0.58 0.14 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.79 1xjk s GLU 38 N -3.05 0.24 0.00 3.23 2.02 -1.11 -4.92 118.70 115.10 1xjk s GLU 38 Ca 0.08 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1xjk s GLU 38 Cb 0.16 -0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.25 1xjk s GLU 38 CO 0.78 0.03 0.10 0.25 0.02 0.00 0.00 175.26 176.45 1xjk n THR 39 N 2.64 0.00 -3.80 3.63 -2.24 -1.26 -4.63 114.28 108.62 1xjk n THR 39 Ca -0.15 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 1xjk n THR 39 Cb 0.58 1.54 -0.14 0.00 -2.10 0.00 0.00 70.33 70.20 1xjk n THR 39 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xjk s LYS 40 N -0.07 0.04 0.53 -0.78 -0.14 -1.26 -5.03 119.74 113.03 1xjk s LYS 40 Ca 0.00 0.18 0.47 0.00 -1.36 0.00 0.00 55.97 55.26 1xjk s LYS 40 Cb 0.00 -0.10 1.66 0.00 -1.68 0.00 0.00 37.83 37.71 1xjk s LYS 40 CO 0.00 -0.09 1.51 1.87 -0.76 0.00 0.00 175.35 177.88 1xjk n TRP 41 N 3.67 0.06 0.04 3.18 -0.00 -1.26 -0.43 117.44 122.70 1xjk n TRP 41 Ca -0.20 0.06 0.01 0.00 -0.00 0.00 0.00 57.50 57.37 1xjk n TRP 41 Cb 0.55 -0.54 0.34 0.00 -0.00 0.00 0.00 31.31 31.67 1xjk n TRP 41 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1xjk h GLU 42 N 0.00 0.42 -0.29 5.87 4.81 -1.95 -1.39 114.58 122.05 1xjk h GLU 42 Ca 0.91 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 60.01 1xjk h GLU 42 Cb 3.59 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 32.90 1xjk h GLU 42 CO -0.05 0.47 0.01 -0.44 -0.73 0.00 0.00 179.01 178.27 1xjk h ASP 43 N 0.41 0.49 -0.30 1.04 3.32 -1.17 -0.92 116.42 119.29 1xjk h ASP 43 Ca 0.09 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1xjk h ASP 43 Cb 0.30 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1xjk h ASP 43 CO 0.01 0.67 0.06 0.58 -1.72 0.00 0.00 179.24 178.83 1xjk h VAL 44 N 0.30 0.85 -0.55 -1.35 2.07 -1.53 -1.42 116.25 114.62 1xjk h VAL 44 Ca 0.08 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1xjk h VAL 44 Cb 0.41 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1xjk h VAL 44 CO 0.01 0.03 0.19 0.00 0.02 0.00 0.00 177.57 177.82 1xjk h ALA 45 N 1.23 1.30 0.52 1.67 0.00 -1.15 -0.82 119.26 122.01 1xjk h ALA 45 Ca 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xjk h ALA 45 Cb 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xjk h ALA 45 CO -0.19 0.51 -0.25 -0.09 0.00 0.00 0.00 179.25 179.23 1xjk h ARG 46 N 0.79 -0.68 -0.69 0.00 9.65 -0.87 0.57 114.38 123.16 1xjk h ARG 46 Ca 0.19 0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1xjk h ARG 46 Cb 0.20 0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 1xjk h ARG 46 CO -0.01 -0.42 0.42 -0.09 2.80 0.00 0.00 179.97 182.67 1xjk h ARG 47 N -0.78 0.93 -0.02 0.20 2.43 -1.01 -0.77 114.38 115.35 1xjk h ARG 47 Ca -0.07 -0.08 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 1xjk h ARG 47 Cb 0.57 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1xjk h ARG 47 CO 0.12 0.65 -0.55 0.28 -1.51 0.00 0.00 179.97 178.96 1xjk h VAL 48 N 0.93 1.42 -0.22 0.20 2.07 -1.16 -2.32 116.25 117.18 1xjk h VAL 48 Ca 0.25 -2.00 0.06 0.00 0.82 0.00 0.00 66.70 65.82 1xjk h VAL 48 Cb -0.05 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 1xjk h VAL 48 CO -0.05 0.58 -0.20 0.00 0.02 0.00 0.00 177.57 177.92 1xjk h ALA 49 N 0.35 -0.08 -0.82 1.67 0.00 -0.77 -2.65 119.26 116.97 1xjk h ALA 49 Ca -0.06 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1xjk h ALA 49 Cb 1.24 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 19.38 1xjk h ALA 49 CO 0.11 -0.63 0.46 -0.09 0.00 0.00 0.00 179.25 179.10 1xjk h ARG 50 N -0.21 0.75 -0.34 0.00 2.43 -1.08 -1.64 114.38 114.28 1xjk h ARG 50 Ca 0.13 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.11 1xjk h ARG 50 Cb 0.41 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1xjk h ARG 50 CO -0.34 0.49 -0.37 0.28 -1.51 0.00 0.00 179.97 178.52 1xjk h VAL 51 N 0.77 1.28 0.00 0.20 2.07 -1.32 -2.46 116.25 116.80 1xjk h VAL 51 Ca 0.40 -1.54 -0.18 0.00 0.82 0.00 0.00 66.70 66.20 1xjk h VAL 51 Cb 0.38 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1xjk h VAL 51 CO -0.25 0.51 -1.01 0.58 0.02 0.00 0.00 177.57 177.41 1xjk h VAL 52 N 0.66 1.06 -0.31 2.57 2.07 -1.32 -3.06 116.25 117.92 1xjk h VAL 52 Ca 0.06 -2.62 -0.10 0.00 0.82 0.00 0.00 66.70 64.86 1xjk h VAL 52 Cb 0.93 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.16 1xjk h VAL 52 CO 0.09 0.60 -0.22 0.00 0.02 0.00 0.00 177.57 178.05 1xjk h ALA 53 N 1.26 1.03 -1.14 1.67 0.00 -1.30 -2.85 119.26 117.92 1xjk h ALA 53 Ca -0.08 -0.35 0.32 0.00 0.00 0.00 0.00 54.91 54.81 1xjk h ALA 53 Cb 1.63 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 1xjk h ALA 53 CO 0.08 0.58 0.76 1.15 0.00 0.00 0.00 179.25 181.83 1xjk h THR 54 N 0.53 0.42 0.00 0.00 2.02 -1.32 0.24 112.91 114.80 1xjk h THR 54 Ca 0.08 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1xjk h THR 54 Cb 0.67 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1xjk h THR 54 CO 0.05 0.04 0.09 0.00 0.37 0.00 0.00 175.52 176.07 1xjk h ALA 55 N 1.55 1.07 0.00 6.16 0.00 -1.60 -1.96 119.26 124.47 1xjk h ALA 55 Ca 0.63 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 1xjk h ALA 55 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1xjk h ALA 55 CO -0.23 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.34 1xjk n GLU 56 N -2.55 0.03 0.09 0.00 -0.58 0.86 -2.50 120.64 115.99 1xjk n GLU 56 Ca -0.02 0.23 0.05 0.00 -0.42 0.00 0.00 57.16 57.00 1xjk n GLU 56 Cb 0.13 -1.50 0.47 0.00 -0.57 0.00 0.00 31.44 29.97 1xjk n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1xjk h LEU 57 N 0.00 0.31 -0.14 -4.62 4.07 -1.56 -2.95 115.31 110.43 1xjk h LEU 57 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1xjk h LEU 57 Cb 0.24 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1xjk h LEU 57 CO 0.00 0.27 -0.46 0.18 -1.08 0.00 0.00 178.44 177.35 1xjk n LEU 58 N -4.45 0.68 -4.62 1.67 4.77 -1.04 -4.86 117.00 109.15 1xjk n LEU 58 Ca 0.01 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 1xjk n LEU 58 Cb 0.11 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1xjk n LEU 58 CO 0.35 0.15 1.59 0.21 -1.33 0.00 0.00 177.39 178.36 1xjk s ASN 59 N -2.87 6.00 0.00 -1.43 3.84 -1.12 -4.85 114.94 114.51 1xjk s ASN 59 Ca 0.14 1.79 0.00 0.00 0.21 0.00 0.00 52.86 55.01 1xjk s ASN 59 Cb 0.18 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1xjk s ASN 59 CO 0.66 -1.54 0.91 -0.81 -2.79 0.00 0.00 177.10 173.53 1xjk n PRO 60 N 8.15 0.98 0.00 0.43 -0.04 -1.26 -2.96 135.00 140.30 1xjk n PRO 60 Ca 0.23 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.78 1xjk n PRO 60 Cb 0.45 -1.07 0.05 0.00 -0.04 0.00 0.00 33.50 32.89 1xjk n PRO 60 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xjk n SER 61 N -0.43 2.23 -4.37 3.54 7.64 -1.26 -4.91 113.62 116.06 1xjk n SER 61 Ca 0.00 -1.61 -0.36 0.00 1.01 0.00 0.00 58.87 57.91 1xjk n SER 61 Cb 0.03 0.15 -0.13 0.00 -1.01 0.00 0.00 64.21 63.25 1xjk n SER 61 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xjk s TYR 62 N -1.64 3.04 0.42 1.43 4.12 -1.16 -5.08 117.35 118.49 1xjk s TYR 62 Ca 0.19 -0.72 -0.26 0.00 0.02 0.00 0.00 57.07 56.30 1xjk s TYR 62 Cb 0.14 -2.19 -0.08 0.00 -1.52 0.00 0.00 41.96 38.31 1xjk s TYR 62 CO 0.29 -0.47 1.31 0.15 0.02 0.00 0.00 175.55 176.85 1xjk s LYS 63 N 1.54 3.88 0.57 -0.62 1.02 -1.26 -4.90 119.74 119.97 1xjk s LYS 63 Ca 0.06 2.17 0.27 0.00 0.02 0.00 0.00 55.97 58.48 1xjk s LYS 63 Cb -0.15 -2.70 1.70 0.00 -0.52 0.00 0.00 37.83 36.16 1xjk s LYS 63 CO 0.01 -0.57 2.23 -0.22 -0.92 0.00 0.00 175.35 175.88 1xjk h LYS 64 N 2.54 0.00 -0.94 1.68 3.64 -1.99 -0.50 116.57 121.00 1xjk h LYS 64 Ca -0.50 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.16 1xjk h LYS 64 Cb 1.25 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.91 1xjk h LYS 64 CO 0.62 0.00 0.21 -0.91 -2.27 0.00 0.00 179.45 177.10 1xjk h ASN 65 N 0.00 -0.12 0.02 4.20 4.21 -2.04 -3.13 115.58 118.71 1xjk h ASN 65 Ca 0.00 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1xjk h ASN 65 Cb 0.00 0.35 0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1xjk h ASN 65 CO -0.00 -0.28 -1.55 -1.84 -1.29 0.00 0.00 177.43 172.48 1xjk n GLU 66 N -5.33 0.37 0.03 0.81 0.28 -0.21 -4.78 120.64 111.81 1xjk n GLU 66 Ca 0.25 -0.11 -0.12 0.00 -0.16 0.00 0.00 57.16 57.02 1xjk n GLU 66 Cb 0.81 -1.52 -0.06 0.00 1.43 0.00 0.00 31.44 32.11 1xjk n GLU 66 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1xjk h LYS 67 N 0.00 -0.47 -0.80 3.44 1.57 -1.48 0.14 116.57 118.98 1xjk h LYS 67 Ca 0.00 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1xjk h LYS 67 Cb 0.78 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.14 1xjk h LYS 67 CO 0.00 -0.31 0.52 1.25 -0.57 0.00 0.00 179.45 180.34 1xjk h LEU 68 N -0.49 0.64 -0.08 2.94 5.85 -1.86 0.83 115.31 123.15 1xjk h LEU 68 Ca 0.07 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1xjk h LEU 68 Cb 0.61 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1xjk h LEU 68 CO -0.34 0.38 -0.09 0.44 -0.34 0.00 0.00 178.44 178.48 1xjk h ASP 69 N 0.71 0.21 -0.12 1.25 3.32 -1.59 -1.33 116.42 118.88 1xjk h ASP 69 Ca 0.37 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1xjk h ASP 69 Cb 0.49 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1xjk h ASP 69 CO -0.14 0.68 0.07 0.03 -1.72 0.00 0.00 179.24 178.16 1xjk h ARG 70 N -0.25 0.17 -0.71 3.56 2.47 -0.48 -1.96 114.38 117.19 1xjk h ARG 70 Ca 0.01 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1xjk h ARG 70 Cb 0.63 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.86 1xjk h ARG 70 CO 0.02 0.15 0.42 0.82 0.56 0.00 0.00 179.97 181.94 1xjk h ILE 71 N 0.14 1.03 0.00 2.04 2.04 -0.91 -2.31 117.51 119.54 1xjk h ILE 71 Ca 0.04 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1xjk h ILE 71 Cb 0.03 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1xjk h ILE 71 CO -0.01 0.15 -0.05 0.11 0.00 0.00 0.00 178.15 178.34 1xjk h LYS 72 N 0.80 0.00 0.00 2.37 1.57 -0.96 -0.01 116.57 120.34 1xjk h LYS 72 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1xjk h LYS 72 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1xjk h LYS 72 CO -0.15 0.05 -0.08 0.93 -0.57 0.00 0.00 179.45 179.63 1xjk h GLU 73 N 0.00 0.00 -0.85 3.15 5.08 -0.90 -2.15 114.58 118.90 1xjk h GLU 73 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1xjk h GLU 73 Cb 0.46 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 1xjk h GLU 73 CO 0.01 0.91 0.51 -1.49 -1.00 0.00 0.00 179.01 177.95 1xjk h TRP 74 N -1.00 0.93 -0.74 4.33 4.06 -1.44 0.29 115.95 122.37 1xjk h TRP 74 Ca -0.02 0.03 0.08 0.00 2.06 0.00 0.00 58.89 61.04 1xjk h TRP 74 Cb 0.93 -0.29 -0.07 0.00 -1.00 0.00 0.00 29.16 28.74 1xjk h TRP 74 CO 0.24 0.41 0.41 1.49 -3.56 0.00 0.00 178.44 177.43 1xjk h GLU 75 N 0.87 0.70 -0.23 0.49 4.81 -1.02 0.32 114.58 120.51 1xjk h GLU 75 Ca 0.40 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.40 1xjk h GLU 75 Cb 0.31 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1xjk h GLU 75 CO -0.22 0.46 -0.61 0.22 -0.73 0.00 0.00 179.01 178.13 1xjk h ASP 76 N 0.72 0.93 -0.27 1.04 3.58 -0.66 0.13 116.42 121.90 1xjk h ASP 76 Ca 0.35 -0.57 -0.06 0.00 0.42 0.00 0.00 57.03 57.17 1xjk h ASP 76 Cb 0.28 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1xjk h ASP 76 CO -0.22 1.34 -0.07 -0.29 -2.88 0.00 0.00 179.24 177.12 1xjk h ILE 77 N 0.58 1.28 -0.26 2.25 6.09 -0.80 0.24 117.51 126.88 1xjk h ILE 77 Ca -0.01 -1.09 0.05 0.00 -1.37 0.00 0.00 64.86 62.44 1xjk h ILE 77 Cb 1.22 1.45 -0.04 0.00 0.47 0.00 0.00 36.82 39.92 1xjk h ILE 77 CO 0.13 0.34 -0.01 -0.26 -3.07 0.00 0.00 178.15 175.28 1xjk h PHE 78 N 0.27 -0.03 -0.77 2.19 0.04 -0.95 -1.21 116.94 116.47 1xjk h PHE 78 Ca 0.07 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.93 1xjk h PHE 78 Cb 0.54 0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.68 1xjk h PHE 78 CO 0.05 -0.05 0.45 0.35 -0.60 0.00 0.00 178.31 178.51 1xjk h PHE 79 N 0.07 0.83 -0.08 -0.55 3.57 -0.57 -2.08 116.94 118.13 1xjk h PHE 79 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1xjk h PHE 79 Cb 0.17 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1xjk h PHE 79 CO -0.21 0.39 0.00 0.00 -2.23 0.00 0.00 178.31 176.26 1xjk h ARG 80 N 0.81 0.14 -0.40 1.11 3.08 0.09 0.31 114.38 119.52 1xjk h ARG 80 Ca 0.35 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 1xjk h ARG 80 Cb 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1xjk h ARG 80 CO -0.20 0.40 0.01 -0.39 -1.07 0.00 0.00 179.97 178.73 1xjk h VAL 81 N -0.14 1.21 -0.12 2.04 -1.51 -1.09 -1.98 116.25 114.66 1xjk h VAL 81 Ca 0.02 -0.85 -0.05 0.00 -1.23 0.00 0.00 66.70 64.59 1xjk h VAL 81 Cb 0.34 0.90 -0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1xjk h VAL 81 CO 0.00 0.30 -0.11 -0.07 -1.23 0.00 0.00 177.57 176.46 1xjk h LEU 82 N 0.60 0.31 -1.06 4.19 3.38 -1.35 -0.94 115.31 120.42 1xjk h LEU 82 Ca 0.13 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1xjk h LEU 82 Cb 0.36 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1xjk h LEU 82 CO 0.01 0.71 0.63 0.50 0.09 0.00 0.00 178.44 180.39 1xjk h LYS 83 N -0.10 1.22 0.00 1.13 3.64 -0.81 -1.24 116.57 120.41 1xjk h LYS 83 Ca 0.02 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1xjk h LYS 83 Cb 0.62 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1xjk h LYS 83 CO 0.03 0.81 -0.20 0.00 -2.27 0.00 0.00 179.45 177.81 1xjk h ALA 84 N 1.42 1.23 -3.18 5.00 0.00 -1.42 -3.45 119.26 118.87 1xjk h ALA 84 Ca 0.37 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1xjk h ALA 84 Cb -0.07 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 17.75 1xjk h ALA 84 CO -0.10 0.25 -0.30 0.54 0.00 0.00 0.00 179.25 179.64 1xjk n ARG 85 N -3.67 -3.56 0.03 0.00 1.74 -0.47 -4.72 116.66 106.01 1xjk n ARG 85 Ca -0.01 0.37 -0.04 0.00 -0.77 0.00 0.00 57.85 57.39 1xjk n ARG 85 Cb 0.32 -4.01 -0.10 0.00 -1.02 0.00 0.00 32.46 27.65 1xjk n ARG 85 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xjk h LEU 86 N -1.20 0.00 -7.70 0.55 3.38 -1.44 -3.42 115.31 105.47 1xjk h LEU 86 Ca -0.25 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.50 1xjk h LEU 86 Cb 1.16 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.65 1xjk h LEU 86 CO 0.25 0.82 -0.66 0.12 0.09 0.00 0.00 178.44 179.06 1xjk s PHE 87 N -2.76 -0.03 -0.07 1.13 5.36 -1.22 -0.63 117.98 119.76 1xjk s PHE 87 Ca -0.02 0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 56.00 1xjk s PHE 87 Cb 0.09 0.00 0.04 0.00 -0.34 0.00 0.00 43.02 42.81 1xjk s PHE 87 CO 0.81 -0.04 0.14 0.42 -1.46 0.00 0.00 175.22 175.09 1xjk s ILE 88 N -0.12 -0.18 0.63 3.12 1.01 -0.34 -4.29 121.20 121.02 1xjk s ILE 88 Ca -0.02 0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.80 1xjk s ILE 88 Cb -0.01 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 42.18 1xjk s ILE 88 CO 0.00 0.13 1.07 -2.16 0.00 0.00 0.00 174.94 173.98 1xjk s PRO 89 N 1.94 3.10 0.31 2.79 0.04 -1.26 -0.70 135.00 141.22 1xjk s PRO 89 Ca -0.00 1.21 -0.25 0.00 0.04 0.00 0.00 61.00 62.00 1xjk s PRO 89 Cb -0.12 -2.00 -0.15 0.00 0.04 0.00 0.00 34.50 32.26 1xjk s PRO 89 CO -0.05 -0.99 0.45 0.27 0.04 0.00 0.00 177.00 176.71 1xjk n ASN 90 N -2.34 -1.40 -0.39 6.66 2.04 0.28 -4.72 115.26 115.38 1xjk n ASN 90 Ca 0.09 1.00 0.34 0.00 -0.44 0.00 0.00 54.58 55.57 1xjk n ASN 90 Cb 0.53 -1.00 0.58 0.00 -2.53 0.00 0.00 39.78 37.36 1xjk n ASN 90 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1xjk n SER 91 N 1.88 0.21 0.16 0.53 7.64 -1.26 -1.54 113.62 121.25 1xjk n SER 91 Ca 0.14 1.27 0.02 0.00 1.01 0.00 0.00 58.87 61.30 1xjk n SER 91 Cb 0.33 -0.62 0.27 0.00 -1.01 0.00 0.00 64.21 63.18 1xjk n SER 91 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1xjk h PRO 92 N 0.00 0.00 -0.57 1.43 0.11 -1.87 0.49 132.00 131.59 1xjk h PRO 92 Ca 0.77 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.91 1xjk h PRO 92 Cb 2.39 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 33.46 1xjk h PRO 92 CO -0.46 0.49 0.34 1.15 -0.21 0.00 0.00 178.00 179.31 1xjk h THR 93 N 0.00 1.06 -0.37 -1.15 2.02 -1.33 -0.92 112.91 112.23 1xjk h THR 93 Ca -0.00 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.80 1xjk h THR 93 Cb 0.93 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1xjk h THR 93 CO 0.06 0.12 -0.33 -0.07 0.37 0.00 0.00 175.52 175.67 1xjk h LEU 94 N 0.68 0.87 -0.15 2.58 3.38 -1.52 -2.08 115.31 119.07 1xjk h LEU 94 Ca 0.23 -0.37 -0.23 0.00 0.09 0.00 0.00 57.88 57.60 1xjk h LEU 94 Cb 0.03 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.55 1xjk h LEU 94 CO -0.10 1.12 -0.79 -0.26 0.09 0.00 0.00 178.44 178.50 1xjk h PHE 95 N 0.69 1.08 -0.00 1.13 0.04 -0.79 -3.40 116.94 115.69 1xjk h PHE 95 Ca 0.07 -0.48 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1xjk h PHE 95 Cb 0.89 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.87 1xjk h PHE 95 CO 0.05 1.32 -0.44 0.09 -0.60 0.00 0.00 178.31 178.73 1xjk n ASN 96 N -3.94 0.59 -4.72 2.17 3.02 -0.36 -4.93 115.26 107.09 1xjk n ASN 96 Ca -0.08 -0.80 -0.43 0.00 -0.03 0.00 0.00 54.58 53.25 1xjk n ASN 96 Cb 0.75 0.92 -0.02 0.00 -0.61 0.00 0.00 39.78 40.82 1xjk n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjk n ALA 97 N -1.09 2.33 -0.85 5.41 0.00 -0.78 -2.07 120.51 123.46 1xjk n ALA 97 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1xjk n ALA 97 Cb 0.17 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1xjk n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjk n GLY 98 N 2.86 0.77 3.71 0.00 0.00 -1.26 -4.90 105.19 106.37 1xjk n GLY 98 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1xjk n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjk s LEU 99 N 0.00 4.37 0.00 0.99 1.43 -0.88 -2.10 118.68 122.49 1xjk s LEU 99 Ca 0.00 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1xjk s LEU 99 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1xjk s LEU 99 CO 0.00 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.54 1xjk n GLY 100 N 3.50 2.68 3.75 -3.19 0.00 -1.26 -1.16 105.19 109.50 1xjk n GLY 100 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1xjk n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjk s VAL 101 N -2.74 3.59 0.30 1.61 1.01 -0.89 -4.69 120.40 118.58 1xjk s VAL 101 Ca 0.00 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1xjk s VAL 101 Cb 0.00 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 1xjk s VAL 101 CO 0.00 0.32 1.45 1.17 0.00 0.00 0.00 175.10 178.03 1xjk n LYS 102 N 1.68 2.34 0.23 2.72 3.00 -1.26 -4.90 118.16 121.97 1xjk n LYS 102 Ca 0.01 0.83 0.08 0.00 -0.00 0.00 0.00 58.31 59.23 1xjk n LYS 102 Cb 0.45 -2.52 0.57 0.00 0.00 0.00 0.00 35.03 33.53 1xjk n LYS 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1xjk h HIS 103 N 3.83 0.00 -0.84 5.64 3.86 -1.95 -2.54 115.15 123.14 1xjk h HIS 103 Ca -0.47 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.74 1xjk h HIS 103 Cb 1.26 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.69 1xjk h HIS 103 CO 0.55 0.20 0.50 0.38 0.86 0.00 0.00 177.93 180.42 1xjk h ASP 104 N 0.00 1.02 0.71 2.45 3.04 -2.03 -3.10 116.42 118.51 1xjk h ASP 104 Ca -0.00 -0.07 -0.06 0.00 -3.24 0.00 0.00 57.03 53.66 1xjk h ASP 104 Cb 0.44 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 38.46 1xjk h ASP 104 CO 0.03 0.79 -0.27 -0.07 -2.04 0.00 0.00 179.24 177.67 1xjk h LEU 105 N 1.17 0.00 -0.17 0.15 3.38 -1.83 -3.24 115.31 114.77 1xjk h LEU 105 Ca 0.30 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 1xjk h LEU 105 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1xjk h LEU 105 CO -0.05 0.27 -0.96 -0.07 0.09 0.00 0.00 178.44 177.72 1xjk h LEU 106 N 0.00 0.30 -0.95 1.67 3.38 -1.62 -3.36 115.31 114.73 1xjk h LEU 106 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xjk h LEU 106 Cb 0.71 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1xjk h LEU 106 CO 0.04 1.10 -0.03 0.79 0.09 0.00 0.00 178.44 180.43 1xjk n TRP 107 N -3.62 0.00 -2.01 1.13 8.01 -1.26 -3.91 117.44 115.78 1xjk n TRP 107 Ca -0.05 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.80 1xjk n TRP 107 Cb 0.86 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 30.19 1xjk n TRP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xjk s LYS 108 N -0.48 3.02 0.24 -0.99 -2.85 -1.22 -4.86 119.74 112.61 1xjk s LYS 108 Ca 0.04 1.65 -0.31 0.00 -1.00 0.00 0.00 55.97 56.35 1xjk s LYS 108 Cb 0.03 -1.95 -0.14 0.00 -2.06 0.00 0.00 37.83 33.71 1xjk s LYS 108 CO 0.06 -1.13 1.29 -2.30 0.10 0.00 0.00 175.35 173.37 1xjk n PRO 109 N -1.73 1.77 -0.19 1.78 -0.02 -1.26 -4.85 135.00 130.50 1xjk n PRO 109 Ca 0.12 0.63 0.09 0.00 -2.02 0.00 0.00 63.50 62.32 1xjk n PRO 109 Cb 0.51 -2.20 0.39 0.00 -0.02 0.00 0.00 33.50 32.17 1xjk n PRO 109 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xjk h ILE 110 N 2.76 0.95 0.00 4.25 2.10 -1.98 -2.08 117.51 123.51 1xjk h ILE 110 Ca -0.44 -0.23 0.00 0.00 1.08 0.00 0.00 64.86 65.27 1xjk h ILE 110 Cb 1.30 0.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 1xjk h ILE 110 CO 0.71 0.12 0.00 -0.90 -1.08 0.00 0.00 178.15 177.00 1xjk n ASP 111 N -4.49 0.00 -0.81 2.19 5.68 -1.26 -0.24 116.55 117.61 1xjk n ASP 111 Ca 0.12 0.44 0.12 0.00 -0.50 0.00 0.00 54.79 54.98 1xjk n ASP 111 Cb 0.31 -0.47 0.27 0.00 -1.14 0.00 0.00 41.12 40.10 1xjk n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xjk n GLN 112 N -1.47 2.10 -2.67 0.11 6.02 -0.78 -4.96 117.38 115.73 1xjk n GLN 112 Ca 0.04 -1.61 -0.43 0.00 -0.01 0.00 0.00 57.00 54.99 1xjk n GLN 112 Cb 0.16 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 1xjk n GLN 112 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1xjk s MET 113 N -1.89 4.20 0.34 -1.09 -1.94 0.66 -5.04 119.30 114.55 1xjk s MET 113 Ca 0.33 1.26 0.05 0.00 -1.71 0.00 0.00 55.69 55.62 1xjk s MET 113 Cb 0.20 -3.67 -0.01 0.00 2.01 0.00 0.00 34.83 33.37 1xjk s MET 113 CO 0.31 -0.70 0.49 0.95 -0.01 0.00 0.00 175.02 176.06 1xjk s THR 114 N 3.30 4.23 0.53 2.05 -4.23 -1.26 -5.00 115.64 115.25 1xjk s THR 114 Ca 0.44 -0.91 0.27 0.00 -1.18 0.00 0.00 61.69 60.30 1xjk s THR 114 Cb -0.14 -3.48 0.32 0.00 1.34 0.00 0.00 72.50 70.53 1xjk s THR 114 CO 0.09 -0.21 2.18 0.25 -0.54 0.00 0.00 174.62 176.38 1xjk h LEU 115 N 0.85 0.00 -0.37 4.79 5.85 -1.96 -1.49 115.31 122.98 1xjk h LEU 115 Ca -0.47 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.06 1xjk h LEU 115 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1xjk h LEU 115 CO 0.55 0.05 -0.71 -0.33 -0.34 0.00 0.00 178.44 177.65 1xjk h GLU 116 N 0.00 0.52 -0.47 1.25 4.39 -1.99 -2.47 114.58 115.82 1xjk h GLU 116 Ca -0.00 -0.41 0.05 0.00 0.34 0.00 0.00 59.36 59.34 1xjk h GLU 116 Cb 0.11 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 1xjk h GLU 116 CO 0.01 1.03 0.20 -0.44 -1.16 0.00 0.00 179.01 178.65 1xjk h ASP 117 N 0.36 0.26 -0.13 1.42 3.32 -1.67 0.96 116.42 120.94 1xjk h ASP 117 Ca -0.03 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1xjk h ASP 117 Cb 1.29 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1xjk h ASP 117 CO 0.13 0.18 0.06 1.88 -1.72 0.00 0.00 179.24 179.77 1xjk h TYR 118 N 0.40 0.19 -0.74 4.55 -1.99 -1.48 -0.34 116.97 117.57 1xjk h TYR 118 Ca 0.21 -0.01 0.13 0.00 2.00 0.00 0.00 58.73 61.06 1xjk h TYR 118 Cb 0.17 -0.06 -0.09 0.00 2.00 0.00 0.00 36.73 38.75 1xjk h TYR 118 CO -0.13 0.26 0.31 0.93 -0.00 0.00 0.00 178.16 179.53 1xjk h GLU 119 N 0.07 0.46 -0.56 4.88 5.08 -1.34 -1.15 114.58 122.02 1xjk h GLU 119 Ca 0.04 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1xjk h GLU 119 Cb 0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1xjk h GLU 119 CO -0.00 0.31 0.17 1.49 -1.00 0.00 0.00 179.01 179.97 1xjk h GLU 120 N 0.48 0.88 -0.32 2.33 4.81 -0.32 -0.41 114.58 122.02 1xjk h GLU 120 Ca 0.40 -0.20 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1xjk h GLU 120 Cb 0.56 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1xjk h GLU 120 CO -0.37 0.81 -0.03 0.82 -0.73 0.00 0.00 179.01 179.51 1xjk h ILE 121 N 0.79 0.73 -0.15 2.32 2.04 -0.76 -2.34 117.51 120.15 1xjk h ILE 121 Ca 0.18 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1xjk h ILE 121 Cb 0.30 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1xjk h ILE 121 CO -0.00 0.01 0.10 0.22 0.00 0.00 0.00 178.15 178.47 1xjk h TYR 122 N 0.06 0.20 -0.16 1.37 3.20 -0.67 -2.88 116.97 118.09 1xjk h TYR 122 Ca 0.16 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1xjk h TYR 122 Cb 0.22 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1xjk h TYR 122 CO -0.26 0.15 -0.24 0.00 -1.64 0.00 0.00 178.16 176.17 1xjk h ARG 123 N 0.19 0.29 -0.01 1.82 3.08 -1.02 -3.29 114.38 115.43 1xjk h ARG 123 Ca 0.06 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1xjk h ARG 123 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1xjk h ARG 123 CO -0.01 0.52 -0.23 -1.13 -1.07 0.00 0.00 179.97 178.05 1xjk n SER 124 N -4.16 1.22 -4.68 7.04 3.41 -0.89 -4.89 113.62 110.67 1xjk n SER 124 Ca -0.01 -1.06 -0.47 0.00 -0.26 0.00 0.00 58.87 57.08 1xjk n SER 124 Cb 0.36 0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1xjk n SER 124 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xjk n ARG 125 N -0.43 2.32 -0.90 4.33 1.74 -1.17 -3.64 116.66 118.90 1xjk n ARG 125 Ca 0.13 0.85 -0.09 0.00 -0.77 0.00 0.00 57.85 57.97 1xjk n ARG 125 Cb 0.36 -2.70 0.06 0.00 -1.02 0.00 0.00 32.46 29.16 1xjk n ARG 125 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xjk n ASN 126 N 6.21 0.21 0.00 0.55 0.23 -0.31 -4.91 115.26 117.24 1xjk n ASN 126 Ca 0.21 -1.25 0.05 0.00 -0.53 0.00 0.00 54.58 53.06 1xjk n ASN 126 Cb 0.32 -0.28 0.24 0.00 -2.08 0.00 0.00 39.78 37.97 1xjk n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xjk n HIS 127 N -2.29 0.00 0.26 -2.53 1.44 -1.26 -1.69 115.22 109.15 1xjk n HIS 127 Ca 0.05 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.86 1xjk n HIS 127 Cb 0.19 -0.41 0.16 0.00 0.12 0.00 0.00 29.99 30.05 1xjk n HIS 127 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xjk n LEU 128 N -1.41 3.04 -3.40 2.39 4.77 -1.26 -4.78 117.00 116.36 1xjk n LEU 128 Ca 0.04 -1.48 -0.38 0.00 -0.03 0.00 0.00 56.01 54.16 1xjk n LEU 128 Cb 0.11 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1xjk n LEU 128 CO 0.09 0.66 3.06 1.57 -1.33 0.00 0.00 177.39 181.45 1xjk n HIS 129 N 1.13 2.50 -3.84 -1.77 -0.00 -0.68 -4.87 115.22 107.69 1xjk n HIS 129 Ca 0.15 -2.87 -0.36 0.00 0.46 0.00 0.00 57.72 55.10 1xjk n HIS 129 Cb 0.51 -2.37 -0.13 0.00 -0.12 0.00 0.00 29.99 27.87 1xjk n HIS 129 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xjk s MET 130 N 2.68 3.17 0.00 1.57 0.00 -1.25 0.26 119.30 125.72 1xjk s MET 130 Ca 0.60 -0.78 0.05 0.00 0.00 0.00 0.00 55.69 55.56 1xjk s MET 130 Cb 0.16 -3.20 0.15 0.00 0.00 0.00 0.00 34.83 31.94 1xjk s MET 130 CO -0.06 -0.35 1.11 1.28 0.00 0.00 0.00 175.02 177.01 1xjk n LEU 131 N 4.81 2.42 -4.41 4.11 4.77 -1.26 -4.48 117.00 122.96 1xjk n LEU 131 Ca -0.16 -1.95 -0.32 0.00 -0.03 0.00 0.00 56.01 53.55 1xjk n LEU 131 Cb 0.49 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1xjk n LEU 131 CO 0.30 0.60 -0.49 -0.44 -1.33 0.00 0.00 177.39 176.03 1xjk s SER 132 N -0.97 3.70 0.14 -1.43 0.01 -1.26 -3.56 113.70 110.33 1xjk s SER 132 Ca 0.12 -0.30 0.16 0.00 1.31 0.00 0.00 55.95 57.24 1xjk s SER 132 Cb 0.06 -0.74 -0.07 0.00 0.21 0.00 0.00 66.02 65.48 1xjk s SER 132 CO 0.08 0.32 1.05 0.00 0.41 0.00 0.00 173.24 175.10 1xjk h ALA 133 N 5.49 0.65 -3.69 1.44 0.00 -1.88 -3.40 119.26 117.86 1xjk h ALA 133 Ca -0.44 -0.70 -0.64 0.00 0.00 0.00 0.00 54.91 53.13 1xjk h ALA 133 Cb 1.15 0.14 -0.32 0.00 0.00 0.00 0.00 17.79 18.76 1xjk h ALA 133 CO 0.49 0.81 -0.87 0.00 0.00 0.00 0.00 179.25 179.68 1xjk s PHE 135 N 0.15 -0.05 -0.03 0.00 0.40 -0.79 -0.97 117.98 116.68 1xjk s PHE 135 Ca -0.10 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.34 1xjk s PHE 135 Cb -0.15 -0.00 -0.00 0.00 0.51 0.00 0.00 43.02 43.37 1xjk s PHE 135 CO 0.05 -0.24 -0.16 0.08 0.70 0.00 0.00 175.22 175.66 1xjk s VAL 136 N -0.96 1.29 -0.00 -0.44 1.01 -0.72 -1.68 120.40 118.89 1xjk s VAL 136 Ca -0.10 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1xjk s VAL 136 Cb -0.06 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1xjk s VAL 136 CO 0.01 0.37 -0.20 -0.69 0.00 0.00 0.00 175.10 174.60 1xjk s VAL 137 N -0.04 1.58 0.67 2.92 1.01 -0.55 -1.06 120.40 124.94 1xjk s VAL 137 Ca -0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1xjk s VAL 137 Cb -0.10 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 1xjk s VAL 137 CO 0.01 0.39 1.05 -2.16 0.00 0.00 0.00 175.10 174.39 1xjk s PRO 138 N -0.62 3.08 -0.36 2.72 0.04 -1.26 -4.39 135.00 134.21 1xjk s PRO 138 Ca 0.08 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1xjk s PRO 138 Cb -0.08 -2.01 0.12 0.00 0.04 0.00 0.00 34.50 32.57 1xjk s PRO 138 CO -0.00 -0.98 0.17 0.08 0.04 0.00 0.00 177.00 176.31 1xjk s VAL 139 N -2.99 0.86 0.85 -0.36 1.01 -1.26 -4.78 120.40 113.73 1xjk s VAL 139 Ca 0.58 -1.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 1xjk s VAL 139 Cb -0.14 -1.63 0.10 0.00 0.00 0.00 0.00 36.38 34.71 1xjk s VAL 139 CO 0.53 -0.82 1.10 -0.83 0.00 0.00 0.00 175.10 175.08 1xjk s GLY 140 N 1.10 1.61 -1.04 4.51 0.00 -1.26 -4.47 107.32 107.76 1xjk s GLY 140 Ca 0.14 -0.24 -0.08 0.00 0.00 0.00 0.00 44.72 44.54 1xjk s GLY 140 CO -0.12 0.24 3.13 1.34 0.00 0.00 0.00 173.10 177.69 1xjk n ASP 141 N -3.64 7.50 -3.58 1.64 2.03 -1.26 -4.02 116.55 115.23 1xjk n ASP 141 Ca 0.07 -2.61 -0.11 0.00 0.52 0.00 0.00 54.79 52.66 1xjk n ASP 141 Cb 0.57 -1.49 -0.04 0.00 -0.72 0.00 0.00 41.12 39.44 1xjk n ASP 141 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xjk s SER 142 N 1.91 -0.33 0.15 1.67 1.04 -1.26 -4.94 113.70 111.94 1xjk s SER 142 Ca 0.67 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.77 1xjk s SER 142 Cb 0.23 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.89 1xjk s SER 142 CO -0.05 -0.87 1.71 0.40 0.98 0.00 0.00 173.24 175.41 1xjk h ILE 143 N 2.32 1.21 -0.39 -1.02 1.08 -1.99 -0.24 117.51 118.47 1xjk h ILE 143 Ca -0.34 -0.63 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 1xjk h ILE 143 Cb 1.27 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1xjk h ILE 143 CO 0.44 0.24 0.20 -0.08 -0.69 0.00 0.00 178.15 178.26 1xjk h GLU 144 N 0.64 0.56 -0.37 2.37 4.57 -1.97 -2.01 114.58 118.37 1xjk h GLU 144 Ca 0.16 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 58.14 1xjk h GLU 144 Cb 0.18 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1xjk h GLU 144 CO -0.01 0.47 -0.28 0.93 -1.18 0.00 0.00 179.01 178.94 1xjk h GLU 145 N 0.50 0.78 -0.24 1.92 5.08 -1.80 0.30 114.58 121.12 1xjk h GLU 145 Ca 0.14 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1xjk h GLU 145 Cb 0.08 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1xjk h GLU 145 CO -0.02 0.97 -0.01 0.82 -1.00 0.00 0.00 179.01 179.76 1xjk h ILE 146 N 0.67 0.82 0.00 3.13 2.04 -1.00 -1.48 117.51 121.69 1xjk h ILE 146 Ca 0.08 -0.02 -0.18 0.00 1.00 0.00 0.00 64.86 65.74 1xjk h ILE 146 Cb 0.81 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1xjk h ILE 146 CO 0.07 0.01 -0.85 -0.26 0.00 0.00 0.00 178.15 177.12 1xjk h PHE 147 N 0.06 0.00 -0.71 1.37 0.04 -1.36 -1.35 116.94 114.99 1xjk h PHE 147 Ca 0.11 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.91 1xjk h PHE 147 Cb 0.15 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 1xjk h PHE 147 CO -0.20 0.85 0.47 1.49 -0.60 0.00 0.00 178.31 180.31 1xjk h GLU 148 N 0.00 0.85 -0.32 1.51 4.57 -0.35 -2.69 114.58 118.15 1xjk h GLU 148 Ca -0.01 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 57.98 1xjk h GLU 148 Cb 1.59 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1xjk h GLU 148 CO 0.11 0.56 -0.37 0.00 -1.18 0.00 0.00 179.01 178.13 1xjk h ALA 149 N 1.58 0.74 -0.20 2.92 0.00 -0.74 -0.51 119.26 123.06 1xjk h ALA 149 Ca 0.28 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xjk h ALA 149 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1xjk h ALA 149 CO -0.08 0.66 0.08 0.28 0.00 0.00 0.00 179.25 180.19 1xjk h VAL 150 N 0.62 1.17 -0.24 0.00 2.07 -1.21 0.43 116.25 119.07 1xjk h VAL 150 Ca 0.06 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.12 1xjk h VAL 150 Cb 0.91 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1xjk h VAL 150 CO 0.08 0.16 -0.10 0.50 0.02 0.00 0.00 177.57 178.24 1xjk h LYS 151 N 0.17 -0.06 -0.78 1.57 3.64 -1.23 -1.59 116.57 118.30 1xjk h LYS 151 Ca 0.07 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1xjk h LYS 151 Cb 0.18 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.94 1xjk h LYS 151 CO -0.01 -0.04 0.39 0.93 -2.27 0.00 0.00 179.45 178.46 1xjk h GLU 152 N -0.06 0.61 -0.19 1.90 5.08 -0.63 -2.18 114.58 119.11 1xjk h GLU 152 Ca 0.13 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1xjk h GLU 152 Cb 0.25 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1xjk h GLU 152 CO -0.28 0.40 -0.04 1.88 -1.00 0.00 0.00 179.01 179.97 1xjk h TYR 153 N 0.63 -0.08 -0.80 4.33 -1.99 -0.10 -1.03 116.97 117.93 1xjk h TYR 153 Ca 0.40 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 61.11 1xjk h TYR 153 Cb 0.47 0.06 -0.04 0.00 2.00 0.00 0.00 36.73 39.23 1xjk h TYR 153 CO -0.10 -0.07 0.38 0.00 -0.00 0.00 0.00 178.16 178.37 1xjk h ALA 154 N 1.18 1.16 -0.17 3.88 0.00 -0.88 0.13 119.26 124.56 1xjk h ALA 154 Ca 0.09 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1xjk h ALA 154 Cb 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xjk h ALA 154 CO -0.18 0.63 -0.75 -0.07 0.00 0.00 0.00 179.25 178.88 1xjk h LEU 155 N 1.14 0.93 -0.23 0.00 3.38 -1.10 -0.83 115.31 118.61 1xjk h LEU 155 Ca 0.27 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1xjk h LEU 155 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1xjk h LEU 155 CO -0.03 1.40 0.01 0.40 0.09 0.00 0.00 178.44 180.30 1xjk h ILE 156 N 0.55 1.25 -0.47 1.22 2.04 -1.09 -3.16 117.51 117.85 1xjk h ILE 156 Ca -0.04 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1xjk h ILE 156 Cb 1.38 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 1xjk h ILE 156 CO 0.15 0.26 0.31 0.74 0.00 0.00 0.00 178.15 179.62 1xjk h THR 157 N 0.17 1.13 -0.91 -0.27 2.02 -0.95 -0.92 112.91 113.18 1xjk h THR 157 Ca 0.07 -0.24 0.12 0.00 0.77 0.00 0.00 66.41 67.13 1xjk h THR 157 Cb 0.38 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 1xjk h THR 157 CO 0.01 0.12 0.58 0.50 0.37 0.00 0.00 175.52 177.11 1xjk h LYS 158 N 0.64 0.79 -0.17 6.66 3.64 -1.15 -2.54 116.57 124.43 1xjk h LYS 158 Ca 0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1xjk h LYS 158 Cb -0.06 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1xjk h LYS 158 CO -0.04 0.52 0.00 1.33 -2.27 0.00 0.00 179.45 178.99 1xjk n VAL 159 N -4.56 0.21 0.00 2.00 0.24 -1.00 -4.92 118.33 110.30 1xjk n VAL 159 Ca 0.17 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1xjk n VAL 159 Cb 0.40 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1xjk n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjk n GLY 160 N 1.21 0.90 3.86 7.63 0.00 -0.96 -4.73 105.19 113.10 1xjk n GLY 160 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1xjk n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xjk s GLY 161 N -0.80 1.96 -0.14 -0.02 0.00 -0.38 -4.85 107.32 103.09 1xjk s GLY 161 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 44.72 44.70 1xjk s GLY 161 CO 0.00 0.27 0.00 -0.32 0.00 0.00 0.00 173.10 173.05 1xjk s GLY 162 N -3.27 1.82 0.00 0.20 0.00 0.75 -4.13 107.32 102.69 1xjk s GLY 162 Ca 0.56 -0.79 0.05 0.00 0.00 0.00 0.00 44.72 44.53 1xjk s GLY 162 CO 0.35 -0.22 -0.15 0.54 0.00 0.00 0.00 173.10 173.62 1xjk s VAL 163 N -0.09 1.17 0.21 1.40 0.11 -1.01 -1.89 120.40 120.28 1xjk s VAL 163 Ca 0.04 -0.73 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 1xjk s VAL 163 Cb -0.13 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.68 1xjk s VAL 163 CO 0.02 0.25 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.17 1xjk s GLY 164 N -0.55 1.41 -0.04 6.54 0.00 -0.68 -1.54 107.32 112.45 1xjk s GLY 164 Ca 0.05 -1.68 -0.10 0.00 0.00 0.00 0.00 44.72 42.98 1xjk s GLY 164 CO -0.00 -1.65 0.24 -0.56 0.00 0.00 0.00 173.10 171.13 1xjk s SER 165 N -3.27 -0.16 -0.18 1.64 0.01 -0.55 -1.47 113.70 109.72 1xjk s SER 165 Ca 0.25 0.18 -0.21 0.00 1.31 0.00 0.00 55.95 57.47 1xjk s SER 165 Cb 0.04 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 1xjk s SER 165 CO 0.06 -0.28 0.64 0.21 0.41 0.00 0.00 173.24 174.28 1xjk s ASN 166 N -0.76 6.73 0.00 2.44 3.84 -1.26 -1.16 114.94 124.77 1xjk s ASN 166 Ca -0.08 0.89 0.21 0.00 0.21 0.00 0.00 52.86 54.09 1xjk s ASN 166 Cb -0.05 -2.36 0.55 0.00 -0.55 0.00 0.00 41.25 38.85 1xjk s ASN 166 CO 0.02 -0.26 1.45 0.49 -2.79 0.00 0.00 177.10 176.02 1xjk n PHE 167 N 4.90 0.40 0.23 0.43 3.01 0.36 -4.35 117.46 122.45 1xjk n PHE 167 Ca -0.01 -0.20 0.13 0.00 1.01 0.00 0.00 57.45 58.38 1xjk n PHE 167 Cb 0.50 0.00 0.75 0.00 -0.01 0.00 0.00 39.48 40.72 1xjk n PHE 167 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1xjk h SER 168 N 3.40 0.00 -0.04 4.37 0.02 -1.90 -1.80 113.55 117.60 1xjk h SER 168 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xjk h SER 168 Cb 0.75 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 1xjk h SER 168 CO 0.00 0.00 0.01 -0.33 -1.14 0.00 0.00 176.83 175.37 1xjk h GLU 169 N 0.00 0.11 -6.74 3.45 4.39 -1.81 -3.43 114.58 110.54 1xjk h GLU 169 Ca 0.04 -0.01 -0.53 0.00 0.34 0.00 0.00 59.36 59.20 1xjk h GLU 169 Cb 0.18 -0.02 0.05 0.00 -0.10 0.00 0.00 28.75 28.86 1xjk h GLU 169 CO -0.00 0.11 0.74 -0.51 -1.16 0.00 0.00 179.01 178.20 1xjk s LEU 170 N -9.05 4.39 0.38 1.33 1.43 -0.68 -4.42 118.68 112.06 1xjk s LEU 170 Ca -0.05 2.63 -0.25 0.00 -1.03 0.00 0.00 54.13 55.43 1xjk s LEU 170 Cb 0.17 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 1xjk s LEU 170 CO 0.69 -0.68 1.03 0.00 0.23 0.00 0.00 176.35 177.62 1xjk s ARG 171 N -0.36 4.27 0.99 1.70 1.70 -1.26 -4.53 118.95 121.46 1xjk s ARG 171 Ca 0.59 1.49 -0.12 0.00 -0.47 0.00 0.00 55.73 57.22 1xjk s ARG 171 Cb -0.41 -2.62 0.15 0.00 -0.57 0.00 0.00 34.95 31.50 1xjk s ARG 171 CO 0.43 -0.04 0.88 -0.35 -1.08 0.00 0.00 175.30 175.13 1xjk n PRO 172 N 0.10 -0.90 -1.60 3.89 -0.04 -1.26 -3.92 135.00 131.28 1xjk n PRO 172 Ca 0.04 -0.21 -0.46 0.00 -0.04 0.00 0.00 63.50 62.83 1xjk n PRO 172 Cb 0.49 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 1xjk n PRO 172 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1xjk n LYS 173 N -3.67 1.40 -0.87 0.54 4.81 -1.26 -2.46 118.16 116.65 1xjk n LYS 173 Ca 0.08 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1xjk n LYS 173 Cb 0.53 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.63 1xjk n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xjk n GLY 174 N 1.60 0.89 3.86 3.14 0.00 0.95 -4.95 105.19 110.70 1xjk n GLY 174 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1xjk n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xjk s SER 175 N -2.90 4.42 0.07 1.61 1.04 -1.03 -4.61 113.70 112.31 1xjk s SER 175 Ca 0.00 0.92 -0.31 0.00 0.48 0.00 0.00 55.95 57.04 1xjk s SER 175 Cb 0.00 -1.49 -0.06 0.00 0.10 0.00 0.00 66.02 64.57 1xjk s SER 175 CO 0.00 -1.97 1.22 0.12 0.98 0.00 0.00 173.24 173.59 1xjk s PHE 176 N -3.45 3.42 -0.19 5.02 5.36 -1.26 -0.19 117.98 126.69 1xjk s PHE 176 Ca 0.62 1.26 -0.02 0.00 -0.96 0.00 0.00 56.93 57.83 1xjk s PHE 176 Cb -0.12 -3.45 -0.01 0.00 -0.34 0.00 0.00 43.02 39.10 1xjk s PHE 176 CO 0.51 -1.40 -0.09 0.08 -1.46 0.00 0.00 175.22 172.86 1xjk s VAL 177 N 1.05 3.12 0.20 3.12 1.01 -1.18 -4.78 120.40 122.95 1xjk s VAL 177 Ca 0.59 -0.59 -0.32 0.00 0.00 0.00 0.00 61.98 61.66 1xjk s VAL 177 Cb -0.30 -2.38 -0.13 0.00 0.00 0.00 0.00 36.38 33.57 1xjk s VAL 177 CO 0.29 0.47 1.63 0.00 0.00 0.00 0.00 175.10 177.49 1xjk n ALA 178 N 4.43 2.13 -1.03 5.51 0.00 -1.26 -2.66 120.51 127.63 1xjk n ALA 178 Ca -0.19 0.42 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 1xjk n ALA 178 Cb 0.51 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.52 1xjk n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjk n GLY 179 N 3.44 0.48 0.00 0.00 0.00 -1.26 -4.82 105.19 103.03 1xjk n GLY 179 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xjk n GLY 179 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xjk n THR 180 N -2.84 0.00 -0.55 2.61 -1.04 -1.09 -4.98 114.28 106.41 1xjk n THR 180 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1xjk n THR 180 Cb 0.10 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 1xjk n THR 180 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1xjk n HIS 181 N -2.25 0.00 -2.19 -1.42 -0.00 -1.21 -4.97 115.22 103.19 1xjk n HIS 181 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.39 1xjk n HIS 181 Cb 0.38 -1.15 -0.00 0.00 -0.00 0.00 0.00 29.99 29.21 1xjk n HIS 181 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1xjk s GLY 182 N -2.00 2.18 0.11 -1.41 0.00 -1.26 -4.95 107.32 99.99 1xjk s GLY 182 Ca 0.00 0.40 0.05 0.00 0.00 0.00 0.00 44.72 45.17 1xjk s GLY 182 CO 0.00 0.71 0.02 0.54 0.00 0.00 0.00 173.10 174.36 1xjk s LYS 183 N -3.93 2.56 0.43 2.90 1.02 -1.26 -3.08 119.74 118.38 1xjk s LYS 183 Ca 0.63 -0.89 -0.25 0.00 0.02 0.00 0.00 55.97 55.49 1xjk s LYS 183 Cb -0.15 -2.52 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 1xjk s LYS 183 CO 0.33 0.52 1.24 0.00 -0.92 0.00 0.00 175.35 176.52 1xjk s ALA 184 N -1.43 3.14 -0.22 5.17 0.00 0.73 -4.82 121.76 124.33 1xjk s ALA 184 Ca 0.27 1.11 0.20 0.00 0.00 0.00 0.00 51.96 53.53 1xjk s ALA 184 Cb -0.11 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1xjk s ALA 184 CO 0.19 -0.75 1.12 0.66 0.00 0.00 0.00 175.76 176.98 1xjk h SER 185 N 2.45 0.00 -5.00 0.00 4.64 -1.87 0.27 113.55 114.05 1xjk h SER 185 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1xjk h SER 185 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xjk h SER 185 CO 0.62 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 1xjk n GLY 186 N 1.24 2.52 0.32 -0.77 0.00 -1.25 -4.21 105.19 103.04 1xjk n GLY 186 Ca -0.02 -1.94 -0.02 0.00 0.00 0.00 0.00 46.02 44.03 1xjk n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjk h PRO 187 N 0.00 1.03 -0.81 1.61 0.13 -1.80 -2.94 132.00 129.21 1xjk h PRO 187 Ca 0.00 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1xjk h PRO 187 Cb 0.00 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 30.86 1xjk h PRO 187 CO 0.00 0.68 0.39 0.28 -0.23 0.00 0.00 178.00 179.12 1xjk h VAL 188 N 1.06 1.25 -0.62 1.56 2.07 -1.95 -1.75 116.25 117.88 1xjk h VAL 188 Ca 0.33 -0.71 0.10 0.00 0.82 0.00 0.00 66.70 67.23 1xjk h VAL 188 Cb -0.02 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 29.90 1xjk h VAL 188 CO -0.10 0.30 0.23 0.77 0.02 0.00 0.00 177.57 178.79 1xjk h SER 189 N 1.15 0.22 1.19 0.57 4.64 -1.74 -1.74 113.55 117.84 1xjk h SER 189 Ca 0.28 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.61 1xjk h SER 189 Cb 0.12 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1xjk h SER 189 CO -0.04 0.13 -0.34 -0.26 -0.87 0.00 0.00 176.83 175.46 1xjk h PHE 190 N 0.41 0.00 0.00 4.77 0.04 -1.42 -2.83 116.94 117.90 1xjk h PHE 190 Ca 0.31 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1xjk h PHE 190 Cb 0.39 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 1xjk h PHE 190 CO -0.17 0.34 -0.04 0.52 -0.60 0.00 0.00 178.31 178.36 1xjk h MET 191 N 0.00 0.00 0.00 1.51 2.86 -0.43 -1.47 114.93 117.40 1xjk h MET 191 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1xjk h MET 191 Cb 1.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1xjk h MET 191 CO 0.04 0.04 -0.47 0.45 1.06 0.00 0.00 176.91 178.03 1xjk h HIS 192 N 0.00 0.00 -0.08 -0.22 3.86 -1.37 -1.07 115.15 116.27 1xjk h HIS 192 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 1xjk h HIS 192 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1xjk h HIS 192 CO 0.00 0.47 -0.28 0.28 0.86 0.00 0.00 177.93 179.26 1xjk h VAL 193 N 0.00 1.41 -0.44 2.45 2.07 -1.42 -0.53 116.25 119.80 1xjk h VAL 193 Ca -0.00 -1.64 0.07 0.00 0.82 0.00 0.00 66.70 65.94 1xjk h VAL 193 Cb 0.85 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 32.80 1xjk h VAL 193 CO 0.06 0.47 0.11 -0.26 0.02 0.00 0.00 177.57 177.97 1xjk h PHE 194 N -0.13 0.18 0.21 1.57 0.04 -1.38 0.23 116.94 117.65 1xjk h PHE 194 Ca -0.01 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.79 1xjk h PHE 194 Cb 0.91 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 1xjk h PHE 194 CO 0.12 0.03 -0.23 -0.97 -0.60 0.00 0.00 178.31 176.66 1xjk h ASN 195 N 0.25 -0.63 -0.42 2.17 -1.24 -1.16 -2.04 115.58 112.52 1xjk h ASN 195 Ca 0.22 0.06 0.08 0.00 0.71 0.00 0.00 56.30 57.37 1xjk h ASN 195 Cb 0.26 0.22 -0.08 0.00 0.73 0.00 0.00 38.32 39.45 1xjk h ASN 195 CO -0.27 -0.34 -0.07 0.28 -1.29 0.00 0.00 177.43 175.75 1xjk h SER 196 N -0.48 -0.31 -0.44 1.15 0.02 -0.99 0.26 113.55 112.76 1xjk h SER 196 Ca 0.00 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.16 1xjk h SER 196 Cb 0.46 0.23 -0.09 0.00 0.14 0.00 0.00 62.40 63.14 1xjk h SER 196 CO -0.07 -0.11 -0.13 0.00 -1.14 0.00 0.00 176.83 175.38 1xjk h ALA 197 N 1.40 0.26 0.13 3.77 0.00 -0.86 -2.19 119.26 121.77 1xjk h ALA 197 Ca 0.20 0.17 -0.28 0.00 0.00 0.00 0.00 54.91 55.00 1xjk h ALA 197 Cb 0.31 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xjk h ALA 197 CO -0.40 -0.47 -1.24 0.82 0.00 0.00 0.00 179.25 177.96 1xjk h ILE 198 N -0.03 1.42 -0.46 0.00 1.08 -0.91 -0.20 117.51 118.42 1xjk h ILE 198 Ca 0.21 -2.83 0.13 0.00 -0.39 0.00 0.00 64.86 61.98 1xjk h ILE 198 Cb 0.35 2.86 -0.02 0.00 -3.07 0.00 0.00 36.82 36.94 1xjk h ILE 198 CO -0.47 0.84 0.37 0.77 -0.69 0.00 0.00 178.15 178.97 1xjk h SER 199 N 0.13 0.00 0.12 1.72 4.64 -0.33 0.13 113.55 119.96 1xjk h SER 199 Ca -0.16 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.88 1xjk h SER 199 Cb 1.94 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.03 1xjk h SER 199 CO 0.22 0.00 -1.46 0.58 -0.87 0.00 0.00 176.83 175.29 1xjk h VAL 200 N 0.00 0.99 -0.87 0.95 2.07 -0.99 -3.08 116.25 115.32 1xjk h VAL 200 Ca 0.22 -2.39 0.03 0.00 0.82 0.00 0.00 66.70 65.37 1xjk h VAL 200 Cb 0.96 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 33.37 1xjk h VAL 200 CO -0.00 0.71 0.57 0.58 0.02 0.00 0.00 177.57 179.45 1xjk h VAL 201 N -0.28 1.16 -0.33 2.57 2.07 -0.38 -2.07 116.25 118.98 1xjk h VAL 201 Ca -0.31 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1xjk h VAL 201 Cb 1.78 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1xjk h VAL 201 CO 0.06 0.20 0.00 0.29 0.02 0.00 0.00 177.57 178.14 1xjk n LYS 202 N -4.44 1.92 -1.63 1.57 5.02 0.41 -4.91 118.16 116.11 1xjk n LYS 202 Ca 0.11 -1.26 -0.40 0.00 -2.02 0.00 0.00 58.31 54.74 1xjk n LYS 202 Cb 0.09 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1xjk n LYS 202 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1xjk s GLN 203 N -1.58 2.74 0.00 1.97 0.74 -0.78 -3.65 119.66 119.10 1xjk s GLN 203 Ca 0.23 1.70 0.00 0.00 0.05 0.00 0.00 55.36 57.34 1xjk s GLN 203 Cb 0.13 -4.44 0.00 0.00 1.10 0.00 0.00 33.01 29.80 1xjk s GLN 203 CO 0.14 -2.55 0.00 0.41 -0.55 0.00 0.00 175.29 172.74 1xjk n GLY 204 N 5.83 1.93 3.16 2.59 0.00 -1.26 -5.07 105.19 112.37 1xjk n GLY 204 Ca 0.31 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1xjk n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjk s SER 205 N -4.00 4.16 0.23 1.61 0.01 -1.24 -5.27 113.70 109.20 1xjk s SER 205 Ca 0.00 -0.94 -0.17 0.00 1.31 0.00 0.00 55.95 56.15 1xjk s SER 205 Cb 0.00 -1.62 0.02 0.00 0.21 0.00 0.00 66.02 64.63 1xjk s SER 205 CO 0.00 -0.12 0.56 0.00 0.41 0.00 0.00 173.24 174.09 1xjk s ALA 210 N 1.28 -0.83 0.03 1.44 0.00 -1.26 -4.69 121.76 117.73 1xjk s ALA 210 Ca -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1xjk s ALA 210 Cb -0.17 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1xjk s ALA 210 CO -0.06 -0.88 -0.05 -0.51 0.00 0.00 0.00 175.76 174.27 1xjk s LEU 211 N -2.92 2.28 -0.13 0.00 1.43 -1.20 -2.42 118.68 115.72 1xjk s LEU 211 Ca 0.13 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1xjk s LEU 211 Cb -0.02 0.01 -0.00 0.00 0.03 0.00 0.00 46.19 46.20 1xjk s LEU 211 CO 0.03 -0.30 -0.17 -0.32 0.23 0.00 0.00 176.35 175.81 1xjk s MET 212 N -1.81 3.21 -0.11 1.70 -2.45 -0.59 -0.19 119.30 119.07 1xjk s MET 212 Ca -0.11 -0.77 0.02 0.00 -1.25 0.00 0.00 55.69 53.58 1xjk s MET 212 Cb -0.08 -2.53 -0.01 0.00 1.25 0.00 0.00 34.83 33.46 1xjk s MET 212 CO -0.01 0.11 -0.19 0.20 1.05 0.00 0.00 175.02 176.18 1xjk s GLY 213 N 0.56 1.42 -0.07 2.11 0.00 0.14 -1.48 107.32 110.01 1xjk s GLY 213 Ca -0.11 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1xjk s GLY 213 CO 0.04 -0.32 -0.19 -0.42 0.00 0.00 0.00 173.10 172.21 1xjk s ILE 214 N 0.26 1.64 0.04 0.90 1.01 -0.31 -1.63 121.20 123.10 1xjk s ILE 214 Ca -0.13 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.78 1xjk s ILE 214 Cb -0.16 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1xjk s ILE 214 CO 0.07 0.47 -0.18 -0.22 0.00 0.00 0.00 174.94 175.08 1xjk s LEU 215 N 0.27 2.15 0.28 2.97 2.96 -1.17 -0.49 118.68 125.66 1xjk s LEU 215 Ca -0.11 -0.47 -0.17 0.00 -0.22 0.00 0.00 54.13 53.15 1xjk s LEU 215 Cb -0.15 -0.82 -0.09 0.00 0.50 0.00 0.00 46.19 45.63 1xjk s LEU 215 CO 0.05 0.12 0.74 0.20 -1.32 0.00 0.00 176.35 176.14 1xjk s ASN 216 N -1.08 6.90 0.59 3.68 0.01 -1.26 -0.33 114.94 123.46 1xjk s ASN 216 Ca 0.05 1.36 0.33 0.00 -0.71 0.00 0.00 52.86 53.88 1xjk s ASN 216 Cb -0.08 -2.40 1.88 0.00 0.41 0.00 0.00 41.25 41.06 1xjk s ASN 216 CO 0.01 -0.11 2.25 -0.29 -1.51 0.00 0.00 177.10 177.45 1xjk h ILE 217 N 2.29 0.42 -0.49 0.60 6.09 -1.34 -1.39 117.51 123.68 1xjk h ILE 217 Ca -0.48 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.91 1xjk h ILE 217 Cb 1.18 1.07 0.00 0.00 0.47 0.00 0.00 36.82 39.54 1xjk h ILE 217 CO 0.65 0.02 0.00 -0.46 -3.07 0.00 0.00 178.15 175.29 1xjk n ASN 218 N -3.64 3.22 -4.75 2.19 0.23 -1.26 -4.87 115.26 106.38 1xjk n ASN 218 Ca -0.03 -2.18 -0.40 0.00 -0.53 0.00 0.00 54.58 51.44 1xjk n ASN 218 Cb 0.11 -0.43 -0.05 0.00 -2.08 0.00 0.00 39.78 37.33 1xjk n ASN 218 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1xjk s HIS 219 N -1.56 3.90 -0.75 -2.53 2.46 -0.53 -2.17 115.29 114.11 1xjk s HIS 219 Ca 0.36 1.79 0.11 0.00 0.47 0.00 0.00 55.06 57.78 1xjk s HIS 219 Cb 0.21 -2.94 0.51 0.00 -0.13 0.00 0.00 32.58 30.23 1xjk s HIS 219 CO 0.20 0.38 1.33 -2.30 -2.47 0.00 0.00 174.74 171.89 1xjk n PRO 220 N 1.99 0.06 -0.45 2.88 -0.02 -1.26 -2.26 135.00 135.93 1xjk n PRO 220 Ca -0.02 0.48 0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1xjk n PRO 220 Cb 0.48 -1.65 0.31 0.00 -0.02 0.00 0.00 33.50 32.62 1xjk n PRO 220 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xjk n ASP 221 N -1.77 4.17 -0.22 2.55 8.00 -1.26 -4.69 116.55 123.33 1xjk n ASP 221 Ca 0.01 -2.25 0.12 0.00 0.71 0.00 0.00 54.79 53.38 1xjk n ASP 221 Cb 0.07 -0.49 0.41 0.00 -0.02 0.00 0.00 41.12 41.08 1xjk n ASP 221 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xjk h ILE 222 N 3.75 0.86 -0.21 0.53 6.09 -1.76 -1.70 117.51 125.08 1xjk h ILE 222 Ca 0.00 -0.21 -0.13 0.00 -1.37 0.00 0.00 64.86 63.14 1xjk h ILE 222 Cb 1.18 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 1xjk h ILE 222 CO 0.11 0.11 -0.43 -0.33 -3.07 0.00 0.00 178.15 174.55 1xjk h GLU 223 N 0.63 0.50 -0.07 2.19 5.08 -1.85 0.10 114.58 121.15 1xjk h GLU 223 Ca 0.40 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1xjk h GLU 223 Cb 0.66 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1xjk h GLU 223 CO -0.16 0.84 0.02 1.49 -1.00 0.00 0.00 179.01 180.20 1xjk h GLU 224 N 0.41 0.11 0.15 2.33 4.81 -1.70 -2.94 114.58 117.74 1xjk h GLU 224 Ca 0.03 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1xjk h GLU 224 Cb 0.92 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 1xjk h GLU 224 CO 0.08 0.28 -0.34 0.35 -0.73 0.00 0.00 179.01 178.65 1xjk h PHE 225 N -0.08 -0.93 -1.03 0.92 3.57 -0.92 -1.78 116.94 116.69 1xjk h PHE 225 Ca 0.02 0.02 0.31 0.00 3.53 0.00 0.00 57.97 61.85 1xjk h PHE 225 Cb 0.21 0.39 -0.14 0.00 2.79 0.00 0.00 35.95 39.21 1xjk h PHE 225 CO -0.00 -0.45 0.61 0.82 -2.23 0.00 0.00 178.31 177.05 1xjk h ILE 226 N -0.58 0.36 -0.04 1.41 2.04 -0.79 0.12 117.51 120.02 1xjk h ILE 226 Ca 0.02 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1xjk h ILE 226 Cb 0.60 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1xjk h ILE 226 CO -0.18 0.07 0.00 0.47 0.00 0.00 0.00 178.15 178.51 1xjk n ASP 227 N -4.94 1.51 0.31 1.72 8.00 -1.01 -4.54 116.55 117.60 1xjk n ASP 227 Ca 0.31 -1.53 0.19 0.00 0.71 0.00 0.00 54.79 54.47 1xjk n ASP 227 Cb 0.96 -0.02 1.04 0.00 -0.02 0.00 0.00 41.12 43.09 1xjk n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xjk h ALA 228 N 4.31 1.29 -0.28 2.24 0.00 0.13 -1.39 119.26 125.56 1xjk h ALA 228 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1xjk h ALA 228 Cb 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.13 1xjk h ALA 228 CO 0.00 -0.08 -0.58 1.63 0.00 0.00 0.00 179.25 180.22 1xjk n LYS 229 N -3.37 2.31 -3.07 0.00 5.02 -1.26 -4.01 118.16 113.78 1xjk n LYS 229 Ca -0.02 -3.60 -0.35 0.00 -2.02 0.00 0.00 58.31 52.32 1xjk n LYS 229 Cb 0.14 -1.86 -0.06 0.00 -0.02 0.00 0.00 35.03 33.23 1xjk n LYS 229 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xjk s LYS 230 N -3.37 4.19 -0.90 1.97 1.02 -0.53 -4.98 119.74 117.14 1xjk s LYS 230 Ca 0.43 0.85 -0.16 0.00 0.02 0.00 0.00 55.97 57.11 1xjk s LYS 230 Cb 0.39 -2.68 0.18 0.00 -0.52 0.00 0.00 37.83 35.19 1xjk s LYS 230 CO -0.03 0.28 0.98 -1.21 -0.92 0.00 0.00 175.35 174.45 1xjk s GLU 231 N -2.38 3.64 -0.30 1.68 0.41 -1.26 -5.07 118.70 115.42 1xjk s GLU 231 Ca 0.48 -2.15 -0.26 0.00 -0.41 0.00 0.00 54.97 52.64 1xjk s GLU 231 Cb -0.14 -4.69 0.20 0.00 -1.78 0.00 0.00 34.13 27.71 1xjk s GLU 231 CO 0.20 -1.54 1.46 0.14 -0.49 0.00 0.00 175.26 175.03 1xjk s VAL 237 N 1.39 0.00 -0.99 2.63 -7.23 -1.26 -5.21 120.40 109.73 1xjk s VAL 237 Ca 0.26 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.42 1xjk s VAL 237 Cb -0.07 -1.00 0.31 0.00 0.56 0.00 0.00 36.38 36.18 1xjk s VAL 237 CO -0.09 0.00 1.47 0.18 -0.31 0.00 0.00 175.10 176.35 1xjk n LEU 238 N 1.36 6.30 0.18 1.32 4.77 -1.26 -4.83 117.00 124.85 1xjk n LEU 238 Ca -0.08 -5.32 0.14 0.00 -0.03 0.00 0.00 56.01 50.71 1xjk n LEU 238 Cb 0.57 -1.13 0.59 0.00 -2.33 0.00 0.00 43.42 41.12 1xjk n LEU 238 CO 0.02 1.88 0.90 -0.55 -1.33 0.00 0.00 177.39 178.31 1xjk h ASN 239 N 4.80 0.00 0.38 -1.43 7.08 -1.96 -1.02 115.58 123.43 1xjk h ASN 239 Ca 0.29 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.51 1xjk h ASN 239 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.77 1xjk h ASN 239 CO 1.21 0.00 -0.97 0.49 -2.08 0.00 0.00 177.43 176.08 1xjk n PHE 240 N -2.48 0.19 -3.32 4.14 3.01 -1.26 -4.89 117.46 112.85 1xjk n PHE 240 Ca 0.01 0.06 -0.38 0.00 1.01 0.00 0.00 57.45 58.14 1xjk n PHE 240 Cb 0.21 -0.36 -0.06 0.00 -0.01 0.00 0.00 39.48 39.26 1xjk n PHE 240 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1xjk s PHE 241 N -3.15 3.74 0.14 1.38 0.40 -0.39 -3.23 117.98 116.86 1xjk s PHE 241 Ca 0.05 1.16 -0.25 0.00 -0.60 0.00 0.00 56.93 57.29 1xjk s PHE 241 Cb 0.15 -2.47 -0.07 0.00 0.51 0.00 0.00 43.02 41.13 1xjk s PHE 241 CO 0.80 0.52 0.75 -0.80 0.70 0.00 0.00 175.22 177.20 1xjk s ASN 242 N -0.79 7.33 -0.11 1.36 0.01 0.74 -4.96 114.94 118.52 1xjk s ASN 242 Ca 0.28 1.57 0.01 0.00 -0.71 0.00 0.00 52.86 54.01 1xjk s ASN 242 Cb -0.18 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 38.98 1xjk s ASN 242 CO 0.17 0.18 -0.14 -0.76 -1.51 0.00 0.00 177.10 175.04 1xjk s LEU 243 N -0.95 2.71 0.08 0.60 1.02 -1.26 -0.68 118.68 120.19 1xjk s LEU 243 Ca 0.36 -0.29 0.09 0.00 0.02 0.00 0.00 54.13 54.30 1xjk s LEU 243 Cb -0.22 -1.59 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 1xjk s LEU 243 CO 0.25 0.22 -0.25 -0.44 0.02 0.00 0.00 176.35 176.15 1xjk s SER 244 N 0.03 2.99 -0.01 2.29 0.01 -0.64 -0.63 113.70 117.74 1xjk s SER 244 Ca -0.05 -0.64 -0.25 0.00 1.31 0.00 0.00 55.95 56.33 1xjk s SER 244 Cb -0.14 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1xjk s SER 244 CO 0.04 0.19 0.77 -0.69 0.41 0.00 0.00 173.24 173.97 1xjk s VAL 245 N -0.92 4.89 -0.03 3.43 1.01 0.11 -3.04 120.40 125.85 1xjk s VAL 245 Ca 0.11 1.62 -0.10 0.00 0.00 0.00 0.00 61.98 63.61 1xjk s VAL 245 Cb -0.10 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1xjk s VAL 245 CO 0.03 0.28 0.29 -0.83 0.00 0.00 0.00 175.10 174.87 1xjk s GLY 246 N 0.50 2.31 -0.51 4.51 0.00 0.55 -0.23 107.32 114.45 1xjk s GLY 246 Ca 0.40 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.70 1xjk s GLY 246 CO 0.22 -0.17 0.27 -1.36 0.00 0.00 0.00 173.10 172.05 1xjk s PHE 247 N -1.13 3.30 -0.19 1.90 0.08 0.77 -0.84 117.98 121.87 1xjk s PHE 247 Ca 0.22 -3.07 0.25 0.00 0.12 0.00 0.00 56.93 54.45 1xjk s PHE 247 Cb -0.14 -2.91 0.63 0.00 -0.57 0.00 0.00 43.02 40.03 1xjk s PHE 247 CO 0.11 -0.79 1.71 -1.00 -0.10 0.00 0.00 175.22 175.15 1xjk h PRO 248 N 6.74 0.00 -7.42 0.24 0.13 -1.91 -0.09 132.00 129.68 1xjk h PRO 248 Ca -0.07 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.61 1xjk h PRO 248 Cb 0.92 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.19 1xjk h PRO 248 CO 0.67 0.11 0.24 0.00 -0.23 0.00 0.00 178.00 178.79 1xjk s MET 249 N -3.35 0.72 0.45 0.86 0.23 -1.26 -2.98 119.30 113.98 1xjk s MET 249 Ca 0.04 0.40 -0.24 0.00 -1.03 0.00 0.00 55.69 54.86 1xjk s MET 249 Cb 0.07 -1.78 -0.07 0.00 -1.53 0.00 0.00 34.83 31.51 1xjk s MET 249 CO 0.65 -2.50 1.28 0.34 -2.03 0.00 0.00 175.02 172.75 1xjk s ASP 250 N -3.72 6.03 0.49 -1.18 -1.08 -1.26 -4.09 116.67 111.86 1xjk s ASP 250 Ca 0.65 2.59 0.19 0.00 -0.52 0.00 0.00 52.55 55.46 1xjk s ASP 250 Cb -0.17 -2.63 1.21 0.00 -1.46 0.00 0.00 42.92 39.87 1xjk s ASP 250 CO 0.56 -1.03 2.05 0.11 0.52 0.00 0.00 175.17 177.37 1xjk h LYS 251 N 2.23 0.00 0.46 4.34 1.57 -1.91 -2.70 116.57 120.56 1xjk h LYS 251 Ca -0.50 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 1xjk h LYS 251 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1xjk h LYS 251 CO 0.61 0.13 -0.22 0.87 -0.57 0.00 0.00 179.45 180.27 1xjk h LYS 252 N 0.00 -0.60 -0.59 3.15 1.57 -1.91 0.16 116.57 118.34 1xjk h LYS 252 Ca -0.00 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1xjk h LYS 252 Cb 0.26 0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.60 1xjk h LYS 252 CO 0.02 -0.39 -0.09 0.93 -0.57 0.00 0.00 179.45 179.35 1xjk h GLU 253 N -0.64 0.04 -0.35 3.15 5.08 -1.87 0.06 114.58 120.05 1xjk h GLU 253 Ca -0.06 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1xjk h GLU 253 Cb 0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1xjk h GLU 253 CO 0.10 0.03 -0.41 0.82 -1.00 0.00 0.00 179.01 178.55 1xjk h ILE 254 N 0.04 1.28 0.01 3.13 1.08 -1.34 -0.12 117.51 121.59 1xjk h ILE 254 Ca 0.30 -1.59 -0.00 0.00 -0.39 0.00 0.00 64.86 63.17 1xjk h ILE 254 Cb 0.47 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 1xjk h ILE 254 CO -0.57 0.53 -0.01 0.25 -0.69 0.00 0.00 178.15 177.66 1xjk h LEU 255 N 0.70 -0.01 -0.44 1.44 5.85 -0.23 -1.92 115.31 120.71 1xjk h LEU 255 Ca 0.05 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.64 1xjk h LEU 255 Cb 1.00 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 1xjk h LEU 255 CO 0.10 0.21 -0.03 0.50 -0.34 0.00 0.00 178.44 178.88 1xjk h LYS 256 N -0.23 0.08 -0.76 1.25 3.64 -0.95 -0.80 116.57 118.79 1xjk h LYS 256 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xjk h LYS 256 Cb 0.22 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1xjk h LYS 256 CO 0.00 0.05 0.49 1.25 -2.27 0.00 0.00 179.45 178.98 1xjk h LEU 257 N 0.08 0.89 -0.25 5.20 7.12 -0.88 -1.02 115.31 126.46 1xjk h LEU 257 Ca 0.22 -0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.22 1xjk h LEU 257 Cb 0.32 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.20 1xjk h LEU 257 CO -0.38 0.66 0.09 0.22 -0.13 0.00 0.00 178.44 178.90 1xjk h TYR 258 N 1.04 0.17 -0.87 1.25 5.03 -0.89 0.25 116.97 122.96 1xjk h TYR 258 Ca 0.28 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 1xjk h TYR 258 Cb -0.10 -0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.10 1xjk h TYR 258 CO -0.02 0.08 0.50 0.93 -1.32 0.00 0.00 178.16 178.34 1xjk h GLU 259 N 0.21 1.19 0.00 1.82 5.08 -0.53 -1.41 114.58 120.94 1xjk h GLU 259 Ca 0.11 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xjk h GLU 259 Cb 0.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1xjk h GLU 259 CO -0.10 0.85 0.00 0.39 -1.00 0.00 0.00 179.01 179.15 1xjk n GLU 260 N -4.39 0.33 -3.84 2.33 1.02 -0.44 -4.90 120.64 110.75 1xjk n GLU 260 Ca 0.09 0.09 -0.25 0.00 -0.02 0.00 0.00 57.16 57.07 1xjk n GLU 260 Cb 0.07 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.01 1xjk n GLU 260 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xjk n ASP 261 N -1.20 -2.01 -4.66 1.62 4.64 -0.53 -4.96 116.55 109.46 1xjk n ASP 261 Ca 0.09 -0.86 -0.29 0.00 -1.38 0.00 0.00 54.79 52.36 1xjk n ASP 261 Cb 0.11 -3.73 0.15 0.00 -1.04 0.00 0.00 41.12 36.60 1xjk n ASP 261 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1xjk s GLY 262 N -4.04 1.59 0.07 0.27 0.00 0.86 -4.89 107.32 101.18 1xjk s GLY 262 Ca 0.21 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1xjk s GLY 262 CO 0.84 -0.02 0.09 -0.54 0.00 0.00 0.00 173.10 173.47 1xjk s GLU 263 N -5.36 2.96 -0.09 2.90 2.02 -1.26 -1.70 118.70 118.17 1xjk s GLU 263 Ca 0.65 -0.64 -0.00 0.00 0.02 0.00 0.00 54.97 55.00 1xjk s GLU 263 Cb -0.13 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1xjk s GLU 263 CO 0.53 0.58 -0.05 -1.17 0.02 0.00 0.00 175.26 175.17 1xjk s LEU 264 N -2.32 3.25 -0.23 1.80 2.96 0.49 -4.82 118.68 119.80 1xjk s LEU 264 Ca 0.29 -0.01 -0.17 0.00 -0.22 0.00 0.00 54.13 54.02 1xjk s LEU 264 Cb -0.12 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1xjk s LEU 264 CO 0.22 0.33 0.48 -0.70 -1.32 0.00 0.00 176.35 175.36 1xjk s GLU 265 N -0.63 4.12 -0.29 1.98 2.56 -1.26 -0.81 118.70 124.36 1xjk s GLU 265 Ca 0.10 0.30 -0.11 0.00 0.00 0.00 0.00 54.97 55.26 1xjk s GLU 265 Cb -0.12 -3.61 -0.04 0.00 2.00 0.00 0.00 34.13 32.37 1xjk s GLU 265 CO 0.02 -0.23 0.19 -0.51 -0.56 0.00 0.00 175.26 174.16 1xjk s LEU 266 N 1.93 4.09 0.17 2.70 1.43 0.15 -4.75 118.68 124.40 1xjk s LEU 266 Ca 0.21 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.00 1xjk s LEU 266 Cb -0.15 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.98 1xjk s LEU 266 CO 0.09 -0.11 0.38 -0.94 0.23 0.00 0.00 176.35 176.00 1xjk s SER 267 N 1.72 -0.08 0.00 2.29 1.04 -0.92 0.45 113.70 118.20 1xjk s SER 267 Ca 0.06 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1xjk s SER 267 Cb -0.16 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 1xjk s SER 267 CO 0.10 -0.95 -0.01 -2.28 0.98 0.00 0.00 173.24 171.07 1xjk s HIS 268 N -3.92 0.09 0.56 5.02 2.46 -1.26 -4.27 115.29 113.97 1xjk s HIS 268 Ca 0.13 -0.09 0.27 0.00 0.47 0.00 0.00 55.06 55.85 1xjk s HIS 268 Cb 0.02 -0.06 1.48 0.00 -0.13 0.00 0.00 32.58 33.88 1xjk s HIS 268 CO -0.02 -0.03 1.98 -1.00 -2.47 0.00 0.00 174.74 173.21 1xjk h PRO 269 N 5.91 0.00 -0.94 2.88 0.13 -1.96 -2.97 132.00 135.04 1xjk h PRO 269 Ca -0.26 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.31 1xjk h PRO 269 Cb 1.21 0.00 -0.43 0.00 0.13 0.00 0.00 31.00 31.91 1xjk h PRO 269 CO 0.49 0.00 -0.77 0.54 -0.23 0.00 0.00 178.00 178.03 1xjk n ARG 270 N -4.07 3.56 -3.57 0.86 1.74 -1.26 -5.00 116.66 108.93 1xjk n ARG 270 Ca 0.08 -4.24 -0.14 0.00 -0.77 0.00 0.00 57.85 52.79 1xjk n ARG 270 Cb 0.60 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.46 29.71 1xjk n ARG 270 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xjk s SER 271 N -3.56 -0.44 0.04 0.55 0.15 -1.12 -4.73 113.70 104.59 1xjk s SER 271 Ca 0.50 0.15 0.16 0.00 0.70 0.00 0.00 55.95 57.47 1xjk s SER 271 Cb 0.41 0.50 -0.15 0.00 -1.71 0.00 0.00 66.02 65.06 1xjk s SER 271 CO -0.02 -0.74 0.78 0.35 1.20 0.00 0.00 173.24 174.82 1xjk n THR 272 N 0.34 1.24 -1.54 6.45 -2.24 -1.26 -4.56 114.28 112.71 1xjk n THR 272 Ca -0.18 -0.71 -0.52 0.00 -2.27 0.00 0.00 64.05 60.37 1xjk n THR 272 Cb 0.61 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 68.00 1xjk n THR 272 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1xjk n ILE 273 N -2.90 0.27 -4.19 2.28 5.41 -1.26 -4.97 119.36 113.99 1xjk n ILE 273 Ca -0.11 -0.19 -0.12 0.00 1.00 0.00 0.00 62.75 63.33 1xjk n ILE 273 Cb 0.87 -1.57 -0.10 0.00 -0.71 0.00 0.00 39.64 38.13 1xjk n ILE 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xjk s ARG 274 N 5.30 0.90 0.01 0.38 1.70 -1.26 -4.13 118.95 121.85 1xjk s ARG 274 Ca 1.05 -1.33 -0.18 0.00 -0.47 0.00 0.00 55.73 54.79 1xjk s ARG 274 Cb -0.89 -0.40 0.03 0.00 -0.57 0.00 0.00 34.95 33.12 1xjk s ARG 274 CO 0.53 0.03 0.40 0.21 -1.08 0.00 0.00 175.30 175.40 1xjk s LYS 275 N -3.57 0.83 -0.15 3.89 2.20 0.17 -4.98 119.74 118.13 1xjk s LYS 275 Ca 0.12 -0.21 -0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1xjk s LYS 275 Cb 0.03 0.37 -0.01 0.00 -1.51 0.00 0.00 37.83 36.71 1xjk s LYS 275 CO -0.02 -0.26 -0.13 0.15 -0.36 0.00 0.00 175.35 174.73 1xjk s LYS 276 N -1.83 3.32 -0.00 4.03 1.02 -1.26 0.33 119.74 125.36 1xjk s LYS 276 Ca -0.09 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.22 1xjk s LYS 276 Cb -0.02 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1xjk s LYS 276 CO 0.02 0.11 -0.10 0.14 -0.92 0.00 0.00 175.35 174.60 1xjk s VAL 277 N 0.61 0.80 0.09 3.17 -7.23 0.01 -4.93 120.40 112.92 1xjk s VAL 277 Ca -0.08 -0.49 -0.31 0.00 -1.81 0.00 0.00 61.98 59.29 1xjk s VAL 277 Cb -0.16 -0.68 -0.10 0.00 0.56 0.00 0.00 36.38 36.00 1xjk s VAL 277 CO 0.03 0.18 1.87 0.29 -0.31 0.00 0.00 175.10 177.17 1xjk n LYS 278 N 2.71 2.75 -0.31 4.82 4.76 -1.26 0.18 118.16 131.82 1xjk n LYS 278 Ca -0.14 1.00 -0.02 0.00 -2.87 0.00 0.00 58.31 56.28 1xjk n LYS 278 Cb 0.56 -2.91 0.10 0.00 -1.84 0.00 0.00 35.03 30.94 1xjk n LYS 278 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1xjk h ILE 279 N 4.96 1.16 -0.89 -0.18 6.09 -1.65 -1.79 117.51 125.21 1xjk h ILE 279 Ca -0.47 -0.37 0.05 0.00 -1.37 0.00 0.00 64.86 62.69 1xjk h ILE 279 Cb 1.23 -0.01 -0.05 0.00 0.47 0.00 0.00 36.82 38.46 1xjk h ILE 279 CO 0.94 0.20 0.58 0.03 -3.07 0.00 0.00 178.15 176.83 1xjk h ARG 280 N 1.07 1.04 -0.18 2.19 3.08 -1.89 0.19 114.38 119.89 1xjk h ARG 280 Ca 0.33 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.14 1xjk h ARG 280 Cb -0.03 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.78 1xjk h ARG 280 CO -0.10 0.69 -0.59 0.93 -1.07 0.00 0.00 179.97 179.82 1xjk h GLU 281 N 1.07 0.59 0.40 0.04 5.08 -1.77 -2.00 114.58 117.99 1xjk h GLU 281 Ca 0.37 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1xjk h GLU 281 Cb 0.10 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xjk h GLU 281 CO -0.12 1.01 -0.19 1.25 -1.00 0.00 0.00 179.01 179.96 1xjk h LEU 282 N 0.44 -0.45 -1.64 1.33 5.85 -0.70 -2.29 115.31 117.84 1xjk h LEU 282 Ca -0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1xjk h LEU 282 Cb 1.16 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1xjk h LEU 282 CO 0.11 -0.32 0.36 -0.26 -0.34 0.00 0.00 178.44 178.00 1xjk h PHE 283 N -0.54 0.44 -0.10 1.25 0.04 -0.63 -1.95 116.94 115.45 1xjk h PHE 283 Ca -0.05 0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.53 1xjk h PHE 283 Cb 0.41 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1xjk h PHE 283 CO -0.05 0.22 -0.75 -0.09 -0.60 0.00 0.00 178.31 177.05 1xjk h ARG 284 N 0.43 0.54 -0.31 1.51 2.43 -1.17 0.79 114.38 118.58 1xjk h ARG 284 Ca 0.24 -0.44 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1xjk h ARG 284 Cb 0.40 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1xjk h ARG 284 CO -0.06 1.07 0.13 -0.22 -1.51 0.00 0.00 179.97 179.38 1xjk h LYS 285 N 0.36 0.28 0.18 0.20 3.64 -0.89 0.27 116.57 120.62 1xjk h LYS 285 Ca -0.04 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1xjk h LYS 285 Cb 1.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1xjk h LYS 285 CO 0.14 0.18 -0.09 0.82 -2.27 0.00 0.00 179.45 178.23 1xjk h ILE 286 N 0.29 0.81 -0.95 2.00 2.04 -1.23 -2.70 117.51 117.77 1xjk h ILE 286 Ca 0.14 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1xjk h ILE 286 Cb 0.08 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1xjk h ILE 286 CO -0.12 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.65 1xjk h ALA 287 N 0.58 1.40 -0.47 1.87 0.00 -0.59 0.53 119.26 122.57 1xjk h ALA 287 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1xjk h ALA 287 Cb 0.19 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1xjk h ALA 287 CO 0.04 0.51 -0.03 1.15 0.00 0.00 0.00 179.25 180.91 1xjk h THR 288 N 1.19 1.25 0.09 0.00 2.02 -0.42 0.45 112.91 117.48 1xjk h THR 288 Ca 0.38 -1.06 -0.23 0.00 0.77 0.00 0.00 66.41 66.26 1xjk h THR 288 Cb 0.02 0.92 0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1xjk h THR 288 CO -0.12 0.37 -0.96 0.78 0.37 0.00 0.00 175.52 175.97 1xjk h ASN 289 N 0.74 0.69 -0.52 4.18 4.21 -0.93 -1.28 115.58 122.67 1xjk h ASN 289 Ca 0.14 -0.83 0.04 0.00 1.21 0.00 0.00 56.30 56.86 1xjk h ASN 289 Cb 0.50 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 37.44 1xjk h ASN 289 CO 0.03 1.45 0.27 0.00 -1.29 0.00 0.00 177.43 177.89 1xjk h ALA 290 N 0.25 0.66 -0.74 -0.83 0.00 -0.22 0.20 119.26 118.59 1xjk h ALA 290 Ca -0.14 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xjk h ALA 290 Cb 1.67 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.33 1xjk h ALA 290 CO 0.18 -0.06 0.49 2.35 0.00 0.00 0.00 179.25 182.21 1xjk h TRP 291 N 0.53 0.74 0.11 0.00 7.01 0.08 0.65 115.95 125.07 1xjk h TRP 291 Ca 0.22 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 61.08 1xjk h TRP 291 Cb 0.12 -0.24 0.02 0.00 -2.10 0.00 0.00 29.16 26.95 1xjk h TRP 291 CO -0.09 0.37 -0.71 0.87 -2.79 0.00 0.00 178.44 176.09 1xjk h LYS 292 N 0.72 0.29 0.00 2.65 1.57 -0.74 -3.44 116.57 117.62 1xjk h LYS 292 Ca 0.33 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1xjk h LYS 292 Cb 0.35 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1xjk h LYS 292 CO -0.12 1.20 -0.04 -1.13 -0.57 0.00 0.00 179.45 178.80 1xjk n SER 293 N -4.18 0.19 0.00 0.86 3.41 0.67 -4.44 113.62 110.12 1xjk n SER 293 Ca -0.13 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 1xjk n SER 293 Cb 0.77 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.34 1xjk n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjk n GLY 294 N 0.68 1.69 3.45 5.00 0.00 0.21 -4.86 105.19 111.37 1xjk n GLY 294 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xjk n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjk s ASP 295 N -2.95 3.71 0.34 1.61 1.11 -1.26 -4.41 116.67 114.83 1xjk s ASP 295 Ca 0.00 -0.53 -0.03 0.00 0.18 0.00 0.00 52.55 52.17 1xjk s ASP 295 Cb 0.00 -0.51 -0.04 0.00 1.07 0.00 0.00 42.92 43.44 1xjk s ASP 295 CO 0.00 0.22 0.58 -2.16 1.18 0.00 0.00 175.17 174.99 1xjk s PRO 296 N -1.76 3.55 0.74 8.23 0.04 -1.26 -1.90 135.00 142.64 1xjk s PRO 296 Ca 0.16 -0.12 -0.11 0.00 0.04 0.00 0.00 61.00 60.97 1xjk s PRO 296 Cb -0.10 -2.62 0.17 0.00 0.04 0.00 0.00 34.50 31.98 1xjk s PRO 296 CO 0.07 0.13 1.01 0.41 0.04 0.00 0.00 177.00 178.67 1xjk n GLY 297 N -1.47 -0.98 3.45 0.56 0.00 0.20 -4.67 105.19 102.28 1xjk n GLY 297 Ca -0.03 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1xjk n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjk s LEU 298 N 0.00 2.61 -0.30 0.99 1.43 -0.67 0.07 118.68 122.81 1xjk s LEU 298 Ca 0.59 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1xjk s LEU 298 Cb -0.02 -1.52 0.09 0.00 0.03 0.00 0.00 46.19 44.77 1xjk s LEU 298 CO 0.41 0.30 0.05 0.00 0.23 0.00 0.00 176.35 177.34 1xjk s ALA 299 N -0.81 2.00 -1.25 4.21 0.00 0.68 -1.04 121.76 125.54 1xjk s ALA 299 Ca 0.13 -1.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.12 1xjk s ALA 299 Cb -0.10 -1.66 0.13 0.00 0.00 0.00 0.00 23.12 21.48 1xjk s ALA 299 CO 0.03 -1.55 1.59 1.19 0.00 0.00 0.00 175.76 177.02 1xjk n PHE 300 N 4.65 4.72 0.02 0.00 3.72 -0.57 -0.16 117.46 129.83 1xjk n PHE 300 Ca -0.03 -3.14 -0.06 0.00 -0.05 0.00 0.00 57.45 54.18 1xjk n PHE 300 Cb 0.43 -2.35 0.14 0.00 -0.94 0.00 0.00 39.48 36.76 1xjk n PHE 300 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xjk h LEU 301 N 10.63 0.50 -0.50 4.37 3.38 -1.64 -2.23 115.31 129.82 1xjk h LEU 301 Ca 0.38 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1xjk h LEU 301 Cb 0.85 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 1xjk h LEU 301 CO 1.36 0.84 -0.30 1.23 0.09 0.00 0.00 178.44 181.66 1xjk h GLY 302 N 1.10 -0.10 2.00 0.83 0.00 -0.93 -0.62 103.07 105.35 1xjk h GLY 302 Ca 0.04 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1xjk h GLY 302 CO 0.07 -0.21 -0.07 -2.09 0.00 0.00 0.00 176.54 174.24 1xjk h GLU 303 N -0.18 0.00 0.08 4.80 4.57 -1.69 -1.76 114.58 120.40 1xjk h GLU 303 Ca 0.21 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.14 1xjk h GLU 303 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1xjk h GLU 303 CO -0.60 0.07 -1.17 0.52 -1.18 0.00 0.00 179.01 176.65 1xjk h MET 304 N 0.00 0.17 0.00 1.92 2.86 -0.72 -3.32 114.93 115.84 1xjk h MET 304 Ca -0.00 -0.29 -0.11 0.00 -2.06 0.00 0.00 59.70 57.24 1xjk h MET 304 Cb 0.24 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1xjk h MET 304 CO 0.01 1.13 -0.55 -0.91 1.06 0.00 0.00 176.91 177.65 1xjk h ASN 305 N 0.05 0.00 -0.95 1.22 2.35 -0.44 -1.79 115.58 116.01 1xjk h ASN 305 Ca -0.09 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.78 1xjk h ASN 305 Cb 1.90 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.19 1xjk h ASN 305 CO 0.17 0.55 0.60 0.50 -1.65 0.00 0.00 177.43 177.61 1xjk h LYS 306 N 0.00 0.84 -0.10 0.81 3.64 -1.45 -3.07 116.57 117.25 1xjk h LYS 306 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1xjk h LYS 306 Cb 1.05 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1xjk h LYS 306 CO 0.07 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 178.47 1xjk n TYR 307 N -4.59 0.11 -2.36 1.91 4.01 -1.08 -4.95 117.16 110.20 1xjk n TYR 307 Ca 0.18 -0.08 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 1xjk n TYR 307 Cb 0.39 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.40 1xjk n TYR 307 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1xjk s TYR 308 N -1.32 2.60 0.60 -0.72 5.04 -0.69 -4.57 117.35 118.29 1xjk s TYR 308 Ca 0.22 0.82 0.29 0.00 -2.44 0.00 0.00 57.07 55.96 1xjk s TYR 308 Cb 0.14 -3.85 1.63 0.00 0.35 0.00 0.00 41.96 40.23 1xjk s TYR 308 CO 0.21 -1.96 2.03 -1.35 -1.34 0.00 0.00 175.55 173.14 1xjk h PRO 309 N 9.36 0.00 -0.02 4.97 0.11 -1.89 -2.77 132.00 141.77 1xjk h PRO 309 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1xjk h PRO 309 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xjk h PRO 309 CO 1.02 0.00 -0.17 1.28 -0.21 0.00 0.00 178.00 179.92 1xjk n LEU 310 N -3.66 2.41 -4.77 2.35 4.77 -1.26 0.16 117.00 117.01 1xjk n LEU 310 Ca 0.03 -0.90 -0.39 0.00 -0.03 0.00 0.00 56.01 54.72 1xjk n LEU 310 Cb 0.42 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1xjk n LEU 310 CO 0.26 0.42 0.74 -0.47 -1.33 0.00 0.00 177.39 177.01 1xjk s TYR 311 N -1.96 3.56 -2.37 -1.77 5.04 -1.05 -1.12 117.35 117.67 1xjk s TYR 311 Ca 0.21 1.72 0.28 0.00 -2.44 0.00 0.00 57.07 56.85 1xjk s TYR 311 Cb 0.17 -3.16 1.06 0.00 0.35 0.00 0.00 41.96 40.38 1xjk s TYR 311 CO 0.36 -0.36 1.75 -0.35 -1.34 0.00 0.00 175.55 175.62 1xjk n PRO 312 N 0.80 1.52 0.09 4.97 -0.04 -1.26 -4.88 135.00 136.20 1xjk n PRO 312 Ca 0.01 -0.85 -0.13 0.00 -0.04 0.00 0.00 63.50 62.49 1xjk n PRO 312 Cb 0.47 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1xjk n PRO 312 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xjk h HIS 313 N 2.07 -1.01 -2.34 0.54 3.86 -1.63 -3.40 115.15 113.25 1xjk h HIS 313 Ca 0.00 0.03 -0.54 0.00 -1.16 0.00 0.00 60.37 58.70 1xjk h HIS 313 Cb 0.47 0.43 -0.07 0.00 1.06 0.00 0.00 27.41 29.31 1xjk h HIS 313 CO 0.00 -0.46 -0.57 1.03 0.86 0.00 0.00 177.93 178.78 1xjk s ARG 314 N -5.96 2.72 0.00 2.45 0.52 -0.28 -5.13 118.95 113.26 1xjk s ARG 314 Ca -0.16 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 53.95 1xjk s ARG 314 Cb 0.08 -2.46 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 1xjk s ARG 314 CO 0.64 0.41 -0.07 0.21 0.02 0.00 0.00 175.30 176.51 1xjk s LYS 315 N -3.61 0.54 -0.24 3.54 2.20 -1.26 -3.55 119.74 117.36 1xjk s LYS 315 Ca 0.32 -0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.44 1xjk s LYS 315 Cb -0.08 -0.50 -0.03 0.00 -1.51 0.00 0.00 37.83 35.71 1xjk s LYS 315 CO 0.23 0.13 0.50 0.42 -0.36 0.00 0.00 175.35 176.27 1xjk s ILE 316 N -0.31 5.09 -0.07 5.43 1.01 -1.26 -4.08 121.20 127.01 1xjk s ILE 316 Ca 0.01 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.55 1xjk s ILE 316 Cb -0.03 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1xjk s ILE 316 CO -0.00 0.12 0.08 0.59 0.00 0.00 0.00 174.94 175.73 1xjk n ASN 317 N 5.29 1.40 -3.76 3.58 3.02 -1.25 -4.88 115.26 118.66 1xjk n ASN 317 Ca -0.05 -0.39 -0.07 0.00 -0.03 0.00 0.00 54.58 54.05 1xjk n ASN 317 Cb 0.50 1.03 -0.02 0.00 -0.61 0.00 0.00 39.78 40.68 1xjk n ASN 317 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xjk s SER 318 N -1.51 -0.28 0.37 6.41 0.15 -1.26 -4.28 113.70 113.30 1xjk s SER 318 Ca 0.00 -0.44 0.07 0.00 0.70 0.00 0.00 55.95 56.28 1xjk s SER 318 Cb 0.02 0.62 -0.07 0.00 -1.71 0.00 0.00 66.02 64.88 1xjk s SER 318 CO 0.09 -1.13 -0.01 0.42 1.20 0.00 0.00 173.24 173.81 1xjk s THR 319 N -3.67 1.88 1.30 6.45 -4.23 -1.26 -2.53 115.64 113.58 1xjk s THR 319 Ca 0.10 -2.05 -0.19 0.00 -1.18 0.00 0.00 61.69 58.37 1xjk s THR 319 Cb -0.04 -2.86 0.33 0.00 1.34 0.00 0.00 72.50 71.27 1xjk s THR 319 CO 0.02 -0.06 0.99 0.54 -0.54 0.00 0.00 174.62 175.57 1xjk s ASN 320 N -3.63 -0.06 0.26 3.99 4.22 -1.02 -4.01 114.94 114.68 1xjk s ASN 320 Ca 0.34 1.01 -0.06 0.00 -2.14 0.00 0.00 52.86 52.01 1xjk s ASN 320 Cb 0.08 -1.49 0.50 0.00 1.28 0.00 0.00 41.25 41.62 1xjk s ASN 320 CO 0.17 -4.77 1.60 -0.65 -2.04 0.00 0.00 177.10 171.41 1xjk h PRO 321 N -3.02 0.04 -0.02 3.55 0.11 -1.82 -2.83 132.00 128.01 1xjk h PRO 321 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xjk h PRO 321 Cb 1.33 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1xjk h PRO 321 CO 0.37 0.03 -0.21 0.00 -0.21 0.00 0.00 178.00 177.98 1xjk n GLY 323 N 1.36 0.95 0.01 0.00 0.00 -1.07 -4.64 105.19 101.81 1xjk n GLY 323 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1xjk n GLY 323 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xjk n GLU 324 N -2.00 0.39 -3.84 1.61 0.00 -1.26 -4.45 120.64 111.09 1xjk n GLU 324 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 57.16 56.85 1xjk n GLU 324 Cb 0.00 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 29.78 1xjk n GLU 324 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1xjk s ILE 325 N -2.62 1.03 0.04 3.84 -1.09 -1.26 -0.70 121.20 120.44 1xjk s ILE 325 Ca 0.26 -0.86 -0.30 0.00 -2.23 0.00 0.00 60.65 57.52 1xjk s ILE 325 Cb 0.20 -1.40 -0.05 0.00 -1.58 0.00 0.00 42.46 39.64 1xjk s ILE 325 CO 0.48 -0.13 1.10 -0.83 -1.23 0.00 0.00 174.94 174.33 1xjk s GLY 326 N 1.63 2.64 0.01 6.18 0.00 -1.26 -2.45 107.32 114.07 1xjk s GLY 326 Ca -0.03 0.72 0.02 0.00 0.00 0.00 0.00 44.72 45.43 1xjk s GLY 326 CO -0.07 1.87 -0.08 1.08 0.00 0.00 0.00 173.10 175.90 1xjk s LEU 327 N 0.96 2.07 0.91 0.66 1.43 -1.05 -5.00 118.68 118.65 1xjk s LEU 327 Ca 0.55 -0.22 -0.15 0.00 -1.03 0.00 0.00 54.13 53.29 1xjk s LEU 327 Cb -0.26 -0.35 0.16 0.00 0.03 0.00 0.00 46.19 45.76 1xjk s LEU 327 CO 0.29 0.04 1.26 -0.94 0.23 0.00 0.00 176.35 177.23 1xjk s SER 328 N -0.47 3.59 0.15 2.29 1.04 -1.26 -3.92 113.70 115.11 1xjk s SER 328 Ca 0.01 0.48 -0.33 0.00 0.48 0.00 0.00 55.95 56.59 1xjk s SER 328 Cb -0.04 -0.70 -0.12 0.00 0.10 0.00 0.00 66.02 65.25 1xjk s SER 328 CO -0.00 -2.46 1.71 0.47 0.98 0.00 0.00 173.24 173.94 1xjk n ASP 329 N -3.62 3.63 0.00 7.02 10.43 -1.26 -1.71 116.55 131.03 1xjk n ASP 329 Ca 0.12 1.04 0.00 0.00 2.57 0.00 0.00 54.79 58.53 1xjk n ASP 329 Cb 0.60 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 42.06 1xjk n ASP 329 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1xjk n TYR 330 N 4.39 0.00 -3.19 1.24 4.01 -0.22 -4.96 117.16 118.43 1xjk n TYR 330 Ca 0.17 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.56 1xjk n TYR 330 Cb 0.33 -0.82 -0.06 0.00 -0.31 0.00 0.00 39.34 38.47 1xjk n TYR 330 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xjk s GLU 331 N -0.81 4.13 0.39 -0.72 2.12 -0.69 -4.13 118.70 118.98 1xjk s GLU 331 Ca 0.00 0.72 0.08 0.00 0.36 0.00 0.00 54.97 56.13 1xjk s GLU 331 Cb 0.00 -2.84 -0.07 0.00 0.26 0.00 0.00 34.13 31.47 1xjk s GLU 331 CO 0.00 0.39 -0.03 0.00 -0.54 0.00 0.00 175.26 175.09 1xjk s ALA 332 N -1.56 3.10 -0.13 6.30 0.00 -1.26 -1.75 121.76 126.45 1xjk s ALA 332 Ca 0.43 -2.23 -0.05 0.00 0.00 0.00 0.00 51.96 50.10 1xjk s ALA 332 Cb -0.15 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.12 1xjk s ALA 332 CO 0.20 -0.05 0.28 0.00 0.00 0.00 0.00 175.76 176.19 1xjk s ASN 334 N 1.94 6.51 0.09 0.00 4.22 -1.26 -2.69 114.94 123.75 1xjk s ASN 334 Ca -0.04 0.60 0.02 0.00 -2.14 0.00 0.00 52.86 51.30 1xjk s ASN 334 Cb -0.11 -2.22 -0.04 0.00 1.28 0.00 0.00 41.25 40.16 1xjk s ASN 334 CO -0.09 0.04 0.18 -0.76 -2.04 0.00 0.00 177.10 174.43 1xjk s LEU 335 N 0.64 4.14 -0.01 3.54 1.43 -1.26 -2.23 118.68 124.94 1xjk s LEU 335 Ca 0.20 0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.24 1xjk s LEU 335 Cb -0.14 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.36 1xjk s LEU 335 CO 0.06 0.14 0.41 -0.83 0.23 0.00 0.00 176.35 176.36 1xjk s GLY 336 N -2.69 -0.27 -0.05 -3.19 0.00 -0.74 1.00 107.32 101.38 1xjk s GLY 336 Ca 0.33 0.52 0.02 0.00 0.00 0.00 0.00 44.72 45.60 1xjk s GLY 336 CO 0.26 0.27 -0.11 -0.56 0.00 0.00 0.00 173.10 172.96 1xjk s SER 337 N -1.48 1.53 -0.07 1.64 0.01 0.13 -0.73 113.70 114.73 1xjk s SER 337 Ca -0.11 -0.25 -0.25 0.00 1.31 0.00 0.00 55.95 56.66 1xjk s SER 337 Cb -0.03 -0.58 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 1xjk s SER 337 CO 0.04 0.05 0.77 -0.63 0.41 0.00 0.00 173.24 173.88 1xjk s ILE 338 N 0.46 4.99 -0.74 1.44 1.01 -0.57 -1.20 121.20 126.58 1xjk s ILE 338 Ca -0.09 1.58 -0.27 0.00 0.00 0.00 0.00 60.65 61.87 1xjk s ILE 338 Cb -0.13 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.26 1xjk s ILE 338 CO 0.02 0.19 1.42 -0.62 0.00 0.00 0.00 174.94 175.96 1xjk s ASP 339 N 0.90 5.99 0.35 3.58 2.15 0.20 -0.77 116.67 129.08 1xjk s ASP 339 Ca 0.40 -0.39 0.13 0.00 0.43 0.00 0.00 52.55 53.13 1xjk s ASP 339 Cb -0.18 -2.55 0.65 0.00 -0.30 0.00 0.00 42.92 40.54 1xjk s ASP 339 CO 0.19 -1.94 1.77 -0.37 -0.17 0.00 0.00 175.17 174.65 1xjk h VAL 340 N 6.29 1.24 -1.09 1.11 -1.51 -1.36 -2.88 116.25 118.04 1xjk h VAL 340 Ca -0.23 -1.50 0.30 0.00 -1.23 0.00 0.00 66.70 64.05 1xjk h VAL 340 Cb 1.07 1.82 -0.11 0.00 -2.13 0.00 0.00 31.29 31.94 1xjk h VAL 340 CO 1.28 0.42 0.69 0.00 -1.23 0.00 0.00 177.57 178.73 1xjk h ALA 341 N 1.57 2.28 0.00 5.19 0.00 -1.71 -1.28 119.26 125.32 1xjk h ALA 341 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xjk h ALA 341 Cb 0.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xjk h ALA 341 CO 0.06 -0.76 0.00 0.87 0.00 0.00 0.00 179.25 179.42 1xjk h LYS 342 N 0.34 0.00 -0.54 0.00 1.57 -1.86 -3.12 116.57 112.95 1xjk h LYS 342 Ca 0.66 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 1xjk h LYS 342 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1xjk h LYS 342 CO -0.36 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.71 1xjk n PHE 343 N -2.55 0.81 -2.40 -1.35 3.01 -0.48 -4.89 117.46 109.61 1xjk n PHE 343 Ca 0.03 -0.35 -0.43 0.00 1.01 0.00 0.00 57.45 57.71 1xjk n PHE 343 Cb 0.33 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.69 1xjk n PHE 343 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xjk s TYR 344 N -1.55 2.86 -0.37 1.38 5.04 -1.18 -0.46 117.35 123.07 1xjk s TYR 344 Ca 0.33 0.99 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 1xjk s TYR 344 Cb 0.19 -3.52 0.13 0.00 0.35 0.00 0.00 41.96 39.11 1xjk s TYR 344 CO 0.19 -1.79 0.19 1.21 -1.34 0.00 0.00 175.55 174.01 1xjk s ASN 345 N 1.96 3.47 -0.92 4.32 3.04 0.43 -4.91 114.94 122.32 1xjk s ASN 345 Ca 0.56 -2.13 -0.06 0.00 0.04 0.00 0.00 52.86 51.28 1xjk s ASN 345 Cb -0.23 -0.70 -0.02 0.00 -1.54 0.00 0.00 41.25 38.76 1xjk s ASN 345 CO 0.17 -0.33 0.78 0.59 -3.04 0.00 0.00 177.10 175.27 1xjk n ASN 346 N 4.16 -6.71 0.00 -4.21 5.03 -1.26 -2.45 115.26 109.83 1xjk n ASN 346 Ca 0.06 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.97 1xjk n ASN 346 Cb 0.38 -4.59 0.00 0.00 -1.02 0.00 0.00 39.78 34.55 1xjk n ASN 346 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xjk n GLY 347 N -1.57 0.08 3.17 7.41 0.00 -1.26 -4.98 105.19 108.04 1xjk n GLY 347 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 1xjk n GLY 347 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjk s PHE 348 N -1.17 1.07 -0.33 1.61 0.40 -1.02 -4.99 117.98 113.55 1xjk s PHE 348 Ca 0.00 -0.61 -0.23 0.00 -0.60 0.00 0.00 56.93 55.48 1xjk s PHE 348 Cb 0.00 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.95 1xjk s PHE 348 CO 0.00 0.01 0.79 0.54 0.70 0.00 0.00 175.22 177.26 1xjk s VAL 349 N -2.21 4.76 -0.84 -0.44 0.11 -1.26 -0.43 120.40 120.09 1xjk s VAL 349 Ca 0.04 1.06 -0.25 0.00 -2.93 0.00 0.00 61.98 59.89 1xjk s VAL 349 Cb -0.04 -4.18 -0.10 0.00 -1.53 0.00 0.00 36.38 30.53 1xjk s VAL 349 CO 0.00 -0.34 2.20 -0.62 -3.33 0.00 0.00 175.10 173.02 1xjk s ASP 350 N 1.72 4.43 0.46 3.54 2.15 0.39 -4.71 116.67 124.65 1xjk s ASP 350 Ca 0.32 -0.28 0.21 0.00 0.43 0.00 0.00 52.55 53.23 1xjk s ASP 350 Cb -0.14 -2.55 1.11 0.00 -0.30 0.00 0.00 42.92 41.04 1xjk s ASP 350 CO 0.15 -3.40 1.96 -0.07 -0.17 0.00 0.00 175.17 173.63 1xjk h LEU 351 N 20.52 0.00 -0.19 -1.34 3.38 -1.93 -1.72 115.31 134.04 1xjk h LEU 351 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1xjk h LEU 351 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1xjk h LEU 351 CO 1.09 0.22 -0.05 -0.08 0.09 0.00 0.00 178.44 179.72 1xjk h GLU 352 N 0.00 0.36 -0.24 1.13 4.81 -1.84 -0.78 114.58 118.02 1xjk h GLU 352 Ca -0.00 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1xjk h GLU 352 Cb 0.49 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xjk h GLU 352 CO 0.03 0.62 -0.34 0.00 -0.73 0.00 0.00 179.01 178.58 1xjk h ALA 353 N 0.73 0.36 -0.76 2.92 0.00 -1.41 -3.12 119.26 117.98 1xjk h ALA 353 Ca 0.05 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1xjk h ALA 353 Cb 0.49 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1xjk h ALA 353 CO 0.02 0.42 0.44 1.25 0.00 0.00 0.00 179.25 181.38 1xjk h LEU 354 N 0.37 0.67 -0.96 0.00 5.85 -1.23 -2.04 115.31 117.96 1xjk h LEU 354 Ca 0.02 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1xjk h LEU 354 Cb 0.93 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1xjk h LEU 354 CO 0.08 0.42 0.01 -0.61 -0.34 0.00 0.00 178.44 178.00 1xjk h GLN 355 N 0.80 0.76 -0.62 1.25 4.15 -1.10 -1.57 115.11 118.78 1xjk h GLN 355 Ca 0.34 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.47 1xjk h GLN 355 Cb 0.21 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 1xjk h GLN 355 CO -0.19 0.76 0.02 0.93 -1.93 0.00 0.00 178.83 178.42 1xjk h GLU 356 N 0.71 1.08 -0.13 1.69 5.08 -1.38 -2.37 114.58 119.25 1xjk h GLU 356 Ca 0.14 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1xjk h GLU 356 Cb 0.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xjk h GLU 356 CO 0.02 1.04 -0.27 1.25 -1.00 0.00 0.00 179.01 180.04 1xjk h LEU 357 N 0.99 0.24 -0.46 1.33 5.85 -0.98 -1.88 115.31 120.39 1xjk h LEU 357 Ca 0.18 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 1xjk h LEU 357 Cb 0.54 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1xjk h LEU 357 CO 0.03 0.51 -0.22 0.58 -0.34 0.00 0.00 178.44 179.00 1xjk h VAL 358 N 0.22 1.27 0.18 1.05 2.07 -1.18 0.79 116.25 120.64 1xjk h VAL 358 Ca 0.03 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 1xjk h VAL 358 Cb 0.60 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1xjk h VAL 358 CO 0.04 0.47 -0.10 1.56 0.02 0.00 0.00 177.57 179.57 1xjk h GLN 359 N 0.82 -0.25 -0.57 1.57 4.20 -1.09 -0.62 115.11 119.16 1xjk h GLN 359 Ca 0.10 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.84 1xjk h GLN 359 Cb 0.80 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 1xjk h GLN 359 CO 0.07 -0.17 0.38 0.82 -0.67 0.00 0.00 178.83 179.26 1xjk h ILE 360 N -0.26 1.14 -0.02 2.54 2.04 -1.34 -2.94 117.51 118.66 1xjk h ILE 360 Ca -0.02 -0.26 -0.15 0.00 1.00 0.00 0.00 64.86 65.43 1xjk h ILE 360 Cb 0.21 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1xjk h ILE 360 CO 0.03 0.14 -0.67 0.00 0.00 0.00 0.00 178.15 177.64 1xjk h ALA 361 N 1.22 0.83 -0.44 1.87 0.00 -0.77 -1.34 119.26 120.63 1xjk h ALA 361 Ca 0.21 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1xjk h ALA 361 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xjk h ALA 361 CO -0.05 0.81 -0.16 0.28 0.00 0.00 0.00 179.25 180.12 1xjk h VAL 362 N 0.08 1.27 -0.15 0.00 2.07 -1.10 -2.24 116.25 116.17 1xjk h VAL 362 Ca -0.01 -1.27 -0.16 0.00 0.82 0.00 0.00 66.70 66.08 1xjk h VAL 362 Cb 1.20 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1xjk h VAL 362 CO 0.10 0.43 -0.58 -0.09 0.02 0.00 0.00 177.57 177.44 1xjk h ARG 363 N 0.74 0.48 -0.22 1.57 2.43 -1.32 -1.13 114.38 116.92 1xjk h ARG 363 Ca 0.11 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1xjk h ARG 363 Cb 0.67 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1xjk h ARG 363 CO 0.05 0.92 0.05 0.35 -1.51 0.00 0.00 179.97 179.84 1xjk h PHE 364 N 0.36 0.37 0.00 2.20 3.04 -1.14 0.44 116.94 122.21 1xjk h PHE 364 Ca -0.00 -0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.81 1xjk h PHE 364 Cb 1.12 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.51 1xjk h PHE 364 CO 0.04 0.46 -0.46 -0.07 -2.02 0.00 0.00 178.31 176.26 1xjk h LEU 365 N 0.18 0.00 0.00 0.59 3.38 -1.27 0.10 115.31 118.29 1xjk h LEU 365 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1xjk h LEU 365 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xjk h LEU 365 CO 0.00 0.46 -0.55 -0.78 0.09 0.00 0.00 178.44 177.66 1xjk h ASP 366 N 0.00 0.00 0.47 -0.43 3.58 -0.96 -3.19 116.42 115.89 1xjk h ASP 366 Ca -0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1xjk h ASP 366 Cb 1.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 1xjk h ASP 366 CO 0.06 0.42 -0.63 0.78 -2.88 0.00 0.00 179.24 176.98 1xjk h ASN 367 N 0.00 0.18 -0.98 2.28 4.21 0.14 -2.96 115.58 118.46 1xjk h ASN 367 Ca -0.02 -0.11 0.14 0.00 1.21 0.00 0.00 56.30 57.52 1xjk h ASN 367 Cb 1.34 -0.05 -0.08 0.00 -1.12 0.00 0.00 38.32 38.40 1xjk h ASN 367 CO 0.05 0.77 0.62 0.58 -1.29 0.00 0.00 177.43 178.15 1xjk h VAL 368 N 0.11 0.87 0.00 2.81 2.07 -1.15 -1.37 116.25 119.59 1xjk h VAL 368 Ca -0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1xjk h VAL 368 Cb 1.14 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1xjk h VAL 368 CO 0.09 0.16 -0.09 0.40 0.02 0.00 0.00 177.57 178.16 1xjk h ILE 369 N 0.89 0.69 0.05 4.57 2.04 -1.57 -1.70 117.51 122.48 1xjk h ILE 369 Ca 0.50 -0.35 -0.29 0.00 1.00 0.00 0.00 64.86 65.71 1xjk h ILE 369 Cb 0.61 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1xjk h ILE 369 CO -0.27 0.09 -1.57 0.44 0.00 0.00 0.00 178.15 176.84 1xjk h ASP 370 N 0.00 0.18 -0.50 1.72 3.32 -1.37 -3.19 116.42 116.58 1xjk h ASP 370 Ca -0.00 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1xjk h ASP 370 Cb 0.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1xjk h ASP 370 CO 0.01 1.25 0.00 1.33 -1.72 0.00 0.00 179.24 180.11 1xjk n VAL 371 N -3.28 0.79 -3.22 -1.35 0.24 -1.08 -4.96 118.33 105.48 1xjk n VAL 371 Ca -0.16 -0.71 -0.39 0.00 -2.04 0.00 0.00 64.34 61.05 1xjk n VAL 371 Cb 1.03 0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 33.62 1xjk n VAL 371 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xjk s ASN 372 N -0.96 6.78 -0.19 -1.34 3.84 -0.66 -4.91 114.94 117.51 1xjk s ASN 372 Ca 0.34 0.94 -0.04 0.00 0.21 0.00 0.00 52.86 54.31 1xjk s ASN 372 Cb 0.19 -2.33 -0.02 0.00 -0.55 0.00 0.00 41.25 38.54 1xjk s ASN 372 CO 0.22 -0.05 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.76 1xjk s VAL 373 N 0.76 3.77 0.08 -5.21 1.01 0.14 -5.01 120.40 115.94 1xjk s VAL 373 Ca 0.30 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1xjk s VAL 373 Cb -0.16 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1xjk s VAL 373 CO 0.13 0.45 0.14 -0.36 0.00 0.00 0.00 175.10 175.46 1xjk s PHE 374 N 0.87 3.34 -1.79 5.22 0.40 -1.26 -3.87 117.98 120.89 1xjk s PHE 374 Ca -0.00 0.15 0.28 0.00 -0.60 0.00 0.00 56.93 56.76 1xjk s PHE 374 Cb -0.14 -1.68 1.57 0.00 0.51 0.00 0.00 43.02 43.28 1xjk s PHE 374 CO 0.02 0.55 1.99 -2.30 0.70 0.00 0.00 175.22 176.18 1xjk n PRO 375 N 0.32 0.70 -3.73 0.24 -0.02 -1.26 -4.75 135.00 126.51 1xjk n PRO 375 Ca -0.07 0.01 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 1xjk n PRO 375 Cb 0.52 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.37 1xjk n PRO 375 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xjk s ILE 376 N -2.21 -0.04 0.39 4.25 1.01 -1.26 -5.06 121.20 118.28 1xjk s ILE 376 Ca 0.36 0.15 0.06 0.00 0.00 0.00 0.00 60.65 61.22 1xjk s ILE 376 Cb 0.19 -0.39 0.25 0.00 0.01 0.00 0.00 42.46 42.52 1xjk s ILE 376 CO 0.36 0.06 2.03 0.44 0.00 0.00 0.00 174.94 177.82 1xjk h ASP 377 N 7.20 0.50 0.92 3.58 5.19 -2.01 -2.55 116.42 129.24 1xjk h ASP 377 Ca -0.41 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 1xjk h ASP 377 Cb 1.16 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 1xjk h ASP 377 CO 0.37 0.39 -0.03 0.11 -3.12 0.00 0.00 179.24 176.97 1xjk h LYS 378 N 0.58 0.00 0.01 3.56 1.57 -1.97 -1.51 116.57 118.80 1xjk h LYS 378 Ca 0.15 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1xjk h LYS 378 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1xjk h LYS 378 CO -0.03 0.03 -0.46 0.82 -0.57 0.00 0.00 179.45 179.24 1xjk h ILE 379 N 0.00 1.49 -0.27 1.86 2.04 -1.61 -1.84 117.51 119.17 1xjk h ILE 379 Ca -0.00 -2.30 0.05 0.00 1.00 0.00 0.00 64.86 63.61 1xjk h ILE 379 Cb 0.50 3.00 -0.08 0.00 -0.74 0.00 0.00 36.82 39.50 1xjk h ILE 379 CO 0.00 0.52 -0.45 0.74 0.00 0.00 0.00 178.15 178.96 1xjk h THR 380 N -0.97 0.10 0.19 -0.27 2.02 -1.45 -0.02 112.91 112.50 1xjk h THR 380 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1xjk h THR 380 Cb 1.13 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1xjk h THR 380 CO -0.06 0.00 -0.40 0.50 0.37 0.00 0.00 175.52 175.93 1xjk h LYS 381 N -0.43 -0.62 -0.73 6.66 3.64 -1.37 0.15 116.57 123.87 1xjk h LYS 381 Ca 0.10 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.67 1xjk h LYS 381 Cb 0.62 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.44 1xjk h LYS 381 CO -0.50 -0.41 -0.13 0.00 -2.27 0.00 0.00 179.45 176.14 1xjk h ALA 382 N -0.88 0.56 -0.58 5.00 0.00 -1.15 0.12 119.26 122.33 1xjk h ALA 382 Ca -0.02 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1xjk h ALA 382 Cb 0.61 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1xjk h ALA 382 CO -0.17 -0.42 0.26 0.28 0.00 0.00 0.00 179.25 179.21 1xjk h VAL 383 N 0.02 1.21 -0.06 0.00 2.07 -0.73 -1.88 116.25 116.90 1xjk h VAL 383 Ca 0.37 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1xjk h VAL 383 Cb 0.59 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1xjk h VAL 383 CO -0.73 0.25 -0.15 0.11 0.02 0.00 0.00 177.57 177.07 1xjk h LYS 384 N 0.79 0.08 -0.30 1.57 1.57 0.65 -1.02 116.57 119.91 1xjk h LYS 384 Ca 0.20 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 1xjk h LYS 384 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1xjk h LYS 384 CO -0.02 0.24 -0.27 0.93 -0.57 0.00 0.00 179.45 179.76 1xjk h GLU 385 N 0.08 0.72 0.00 3.15 5.08 -0.02 -3.40 114.58 120.19 1xjk h GLU 385 Ca 0.02 -0.36 -0.29 0.00 -1.00 0.00 0.00 59.36 57.72 1xjk h GLU 385 Cb 0.32 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1xjk h GLU 385 CO 0.02 0.98 -2.09 0.43 -1.00 0.00 0.00 179.01 177.35 1xjk n SER 386 N -4.27 2.28 -3.73 1.42 7.64 -0.94 -2.89 113.62 113.12 1xjk n SER 386 Ca -0.03 -0.09 -0.26 0.00 1.01 0.00 0.00 58.87 59.50 1xjk n SER 386 Cb 0.46 -0.10 0.05 0.00 -1.01 0.00 0.00 64.21 63.62 1xjk n SER 386 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xjk n ARG 387 N -2.98 -6.73 -1.80 1.43 1.74 -0.39 -1.90 116.66 106.03 1xjk n ARG 387 Ca -0.33 0.72 -0.42 0.00 -0.77 0.00 0.00 57.85 57.05 1xjk n ARG 387 Cb 0.89 -5.68 -0.03 0.00 -1.02 0.00 0.00 32.46 26.62 1xjk n ARG 387 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xjk s ARG 388 N -6.39 4.16 0.28 5.56 3.52 -1.26 -4.13 118.95 120.69 1xjk s ARG 388 Ca 0.56 2.49 0.06 0.00 -0.13 0.00 0.00 55.73 58.71 1xjk s ARG 388 Cb -0.27 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 1xjk s ARG 388 CO 0.78 -0.80 0.32 -0.51 -0.81 0.00 0.00 175.30 174.28 1xjk s LEU 389 N 2.75 3.99 -0.53 -0.88 1.43 -0.37 -4.32 118.68 120.76 1xjk s LEU 389 Ca 0.78 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.78 1xjk s LEU 389 Cb -0.43 -2.59 0.23 0.00 0.03 0.00 0.00 46.19 43.43 1xjk s LEU 389 CO 0.35 -0.17 0.60 0.61 0.23 0.00 0.00 176.35 177.96 1xjk n GLY 390 N -1.38 3.77 3.70 -3.19 0.00 -0.95 -3.40 105.19 103.74 1xjk n GLY 390 Ca -0.06 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 1xjk n GLY 390 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xjk s LEU 391 N -1.67 4.34 0.00 0.99 2.96 0.11 -1.80 118.68 123.61 1xjk s LEU 391 Ca 0.36 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 1xjk s LEU 391 Cb 0.13 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1xjk s LEU 391 CO -0.08 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 1xjk n GLY 392 N 2.99 5.12 3.22 7.98 0.00 0.09 -1.57 105.19 123.02 1xjk n GLY 392 Ca 0.07 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 1xjk n GLY 392 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xjk s ILE 393 N -1.04 1.12 0.37 -0.61 -4.36 -1.26 -1.51 121.20 113.90 1xjk s ILE 393 Ca 0.00 -1.82 0.04 0.00 -0.26 0.00 0.00 60.65 58.61 1xjk s ILE 393 Cb 0.00 -1.58 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1xjk s ILE 393 CO 0.00 -0.59 0.11 0.00 0.24 0.00 0.00 174.94 174.70 1xjk s MET 394 N -3.12 1.79 -1.97 0.37 0.23 0.05 -4.19 119.30 112.47 1xjk s MET 394 Ca 0.10 -2.05 0.00 0.00 -1.03 0.00 0.00 55.69 52.71 1xjk s MET 394 Cb -0.01 -0.58 0.00 0.00 -1.53 0.00 0.00 34.83 32.71 1xjk s MET 394 CO 0.01 -0.40 0.00 0.41 -2.03 0.00 0.00 175.02 173.01 1xjk n GLY 395 N -0.79 1.13 0.27 3.16 0.00 0.51 -1.10 105.19 108.37 1xjk n GLY 395 Ca -0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1xjk n GLY 395 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjk h PHE 396 N 0.00 0.94 -0.12 1.61 3.57 -1.76 -0.82 116.94 120.37 1xjk h PHE 396 Ca -0.43 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 60.86 1xjk h PHE 396 Cb 1.31 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1xjk h PHE 396 CO 0.55 0.94 0.00 0.00 -2.23 0.00 0.00 178.31 177.57 1xjk h ALA 397 N 1.06 0.16 -0.46 2.41 0.00 -1.82 -1.11 119.26 119.51 1xjk h ALA 397 Ca 0.11 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xjk h ALA 397 Cb 0.68 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1xjk h ALA 397 CO 0.05 -0.15 0.31 -0.44 0.00 0.00 0.00 179.25 179.02 1xjk h ASP 398 N -0.05 0.40 -0.62 0.00 3.32 -1.89 -1.79 116.42 115.79 1xjk h ASP 398 Ca 0.04 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1xjk h ASP 398 Cb 0.35 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1xjk h ASP 398 CO 0.01 0.27 0.08 0.25 -1.72 0.00 0.00 179.24 178.13 1xjk h LEU 399 N 0.46 1.01 -0.75 1.55 5.85 -0.64 -2.77 115.31 120.01 1xjk h LEU 399 Ca 0.19 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1xjk h LEU 399 Cb 0.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1xjk h LEU 399 CO -0.05 1.01 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.99 1xjk h LEU 400 N 0.98 0.92 -0.29 2.25 3.38 -0.41 -1.94 115.31 120.20 1xjk h LEU 400 Ca 0.19 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1xjk h LEU 400 Cb 0.45 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1xjk h LEU 400 CO 0.01 0.98 -0.09 1.88 0.09 0.00 0.00 178.44 181.32 1xjk h TYR 401 N 0.87 -0.19 -0.08 1.13 -1.99 -1.24 0.19 116.97 115.66 1xjk h TYR 401 Ca 0.16 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.94 1xjk h TYR 401 Cb 0.52 0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.35 1xjk h TYR 401 CO 0.03 -0.14 -0.05 0.87 -0.00 0.00 0.00 178.16 178.86 1xjk h LYS 402 N -0.02 -0.06 0.00 4.88 1.57 -1.32 -2.26 116.57 119.36 1xjk h LYS 402 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1xjk h LYS 402 Cb 0.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xjk h LYS 402 CO -0.31 -0.04 0.00 1.28 -0.57 0.00 0.00 179.45 179.81 1xjk n LEU 403 N -5.18 0.00 -3.45 2.94 4.77 -0.74 -4.89 117.00 110.44 1xjk n LEU 403 Ca -0.05 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.95 1xjk n LEU 403 Cb 0.11 -0.24 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1xjk n LEU 403 CO 0.28 -0.09 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.62 1xjk n GLU 404 N -1.24 -1.71 -4.95 3.23 1.02 0.33 -5.02 120.64 112.30 1xjk n GLU 404 Ca 0.10 0.69 -0.29 0.00 -0.02 0.00 0.00 57.16 57.64 1xjk n GLU 404 Cb 0.14 -4.97 -0.17 0.00 -0.02 0.00 0.00 31.44 26.42 1xjk n GLU 404 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xjk s ILE 405 N -3.40 1.72 0.16 -3.67 1.01 0.40 -4.99 121.20 112.42 1xjk s ILE 405 Ca 0.45 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 1xjk s ILE 405 Cb -0.11 -1.51 -0.07 0.00 0.01 0.00 0.00 42.46 40.77 1xjk s ILE 405 CO 0.80 0.48 1.15 -2.84 0.00 0.00 0.00 174.94 174.54 1xjk s PRO 406 N 0.50 4.53 0.21 2.79 0.02 -1.26 -4.35 135.00 137.43 1xjk s PRO 406 Ca -0.16 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 62.54 1xjk s PRO 406 Cb -0.17 -3.28 0.28 0.00 0.02 0.00 0.00 34.50 31.35 1xjk s PRO 406 CO 0.06 -0.04 1.72 -0.92 -0.33 0.00 0.00 177.00 177.49 1xjk h TYR 407 N 5.44 0.27 -0.95 6.54 5.03 -1.83 -3.26 116.97 128.21 1xjk h TYR 407 Ca -0.44 0.03 -0.73 0.00 2.58 0.00 0.00 58.73 60.17 1xjk h TYR 407 Cb 1.21 -0.03 -0.11 0.00 1.55 0.00 0.00 36.73 39.35 1xjk h TYR 407 CO 0.63 0.02 2.35 0.27 -1.32 0.00 0.00 178.16 180.11 1xjk n ASN 408 N -5.08 4.68 -3.52 -2.11 6.94 -1.26 -4.59 115.26 110.32 1xjk n ASN 408 Ca 0.08 -3.00 -0.17 0.00 -0.02 0.00 0.00 54.58 51.48 1xjk n ASN 408 Cb 0.30 -1.57 -0.06 0.00 -2.36 0.00 0.00 39.78 36.10 1xjk n ASN 408 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xjk s SER 409 N 2.05 -0.64 0.54 0.53 1.04 -1.23 -5.02 113.70 110.97 1xjk s SER 409 Ca 0.43 0.67 0.21 0.00 0.48 0.00 0.00 55.95 57.74 1xjk s SER 409 Cb 0.10 0.54 1.46 0.00 0.10 0.00 0.00 66.02 68.21 1xjk s SER 409 CO -0.02 -0.62 2.16 -0.61 0.98 0.00 0.00 173.24 175.13 1xjk h GLN 410 N 2.93 0.00 -0.00 4.02 5.75 -1.90 -2.61 115.11 123.29 1xjk h GLN 410 Ca -0.27 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.23 1xjk h GLN 410 Cb 1.15 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 1xjk h GLN 410 CO 0.39 0.00 0.00 1.49 -2.65 0.00 0.00 178.83 178.06 1xjk h GLU 411 N 0.00 0.00 -0.39 1.69 4.81 -1.94 -0.69 114.58 118.07 1xjk h GLU 411 Ca 0.03 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1xjk h GLU 411 Cb 0.11 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1xjk h GLU 411 CO -0.00 0.03 0.23 0.00 -0.73 0.00 0.00 179.01 178.54 1xjk h ALA 412 N 0.97 0.49 -0.42 2.92 0.00 -1.65 -1.37 119.26 120.19 1xjk h ALA 412 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xjk h ALA 412 Cb 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xjk h ALA 412 CO -0.00 -0.10 0.27 0.00 0.00 0.00 0.00 179.25 179.42 1xjk h ARG 413 N 0.47 0.56 -0.54 0.00 3.08 -1.36 -0.01 114.38 116.58 1xjk h ARG 413 Ca 0.15 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1xjk h ARG 413 Cb -0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1xjk h ARG 413 CO -0.07 0.39 0.11 -0.44 -1.07 0.00 0.00 179.97 178.89 1xjk h ASP 414 N 0.57 0.84 -0.77 7.04 5.19 -0.98 -1.52 116.42 126.78 1xjk h ASP 414 Ca 0.15 -0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.29 1xjk h ASP 414 Cb -0.04 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.21 1xjk h ASP 414 CO -0.03 0.87 0.38 0.15 -3.12 0.00 0.00 179.24 177.49 1xjk h PHE 415 N 0.77 1.10 -0.66 4.55 3.57 -1.15 -2.59 116.94 122.53 1xjk h PHE 415 Ca 0.17 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1xjk h PHE 415 Cb 0.38 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1xjk h PHE 415 CO 0.03 0.80 0.33 0.00 -2.23 0.00 0.00 178.31 177.24 1xjk h ALA 416 N 1.20 0.86 -0.52 2.41 0.00 -0.71 -0.90 119.26 121.59 1xjk h ALA 416 Ca 0.27 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1xjk h ALA 416 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xjk h ALA 416 CO -0.04 0.40 -0.00 0.00 0.00 0.00 0.00 179.25 179.61 1xjk h ALA 417 N 1.16 0.70 0.21 0.00 0.00 -1.19 -1.50 119.26 118.64 1xjk h ALA 417 Ca 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xjk h ALA 417 Cb 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xjk h ALA 417 CO -0.03 0.52 -0.10 -0.91 0.00 0.00 0.00 179.25 178.72 1xjk h ASN 418 N 0.79 -0.24 -0.26 0.00 2.35 -1.13 0.25 115.58 117.33 1xjk h ASN 418 Ca 0.15 -0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.91 1xjk h ASN 418 Cb 0.53 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.89 1xjk h ASN 418 CO 0.03 -0.12 -0.47 0.25 -1.65 0.00 0.00 177.43 175.47 1xjk h LEU 419 N -0.35 -1.52 -0.55 1.61 6.46 -1.17 0.15 115.31 119.93 1xjk h LEU 419 Ca -0.03 0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1xjk h LEU 419 Cb 0.27 0.63 -0.03 0.00 -0.73 0.00 0.00 40.66 40.80 1xjk h LEU 419 CO 0.05 -0.42 0.35 -0.03 -0.62 0.00 0.00 178.44 177.77 1xjk h MET 420 N -0.44 0.74 -0.54 1.25 4.05 -1.24 0.33 114.93 119.08 1xjk h MET 420 Ca 0.09 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1xjk h MET 420 Cb 0.62 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 1xjk h MET 420 CO -0.49 0.51 0.31 0.00 0.23 0.00 0.00 176.91 177.47 1xjk h ALA 421 N 1.18 0.69 0.10 0.39 0.00 -0.14 0.17 119.26 121.64 1xjk h ALA 421 Ca 0.20 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xjk h ALA 421 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xjk h ALA 421 CO -0.04 0.00 -0.17 0.35 0.00 0.00 0.00 179.25 179.40 1xjk h PHE 422 N 0.61 -0.44 -0.25 0.00 3.57 -0.33 -0.40 116.94 119.70 1xjk h PHE 422 Ca 0.22 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1xjk h PHE 422 Cb 0.06 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1xjk h PHE 422 CO -0.07 -0.25 0.09 0.82 -2.23 0.00 0.00 178.31 176.66 1xjk h ILE 423 N -0.33 0.94 -0.78 1.41 2.04 -0.49 -2.24 117.51 118.06 1xjk h ILE 423 Ca 0.02 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1xjk h ILE 423 Cb 0.35 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1xjk h ILE 423 CO -0.10 0.04 0.51 0.00 0.00 0.00 0.00 178.15 178.60 1xjk h ALA 424 N 1.15 1.01 0.09 1.87 0.00 -0.62 0.13 119.26 122.89 1xjk h ALA 424 Ca 0.11 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xjk h ALA 424 Cb 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1xjk h ALA 424 CO -0.11 0.36 -0.42 1.25 0.00 0.00 0.00 179.25 180.32 1xjk h LEU 425 N 1.02 -1.26 -0.02 0.00 5.85 -0.49 -1.97 115.31 118.44 1xjk h LEU 425 Ca 0.30 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1xjk h LEU 425 Cb -0.06 0.48 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1xjk h LEU 425 CO -0.09 -0.49 0.00 0.45 -0.34 0.00 0.00 178.44 177.98 1xjk h HIS 426 N -0.64 0.00 -0.07 1.25 3.86 -1.16 -2.33 115.15 116.07 1xjk h HIS 426 Ca 0.03 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1xjk h HIS 426 Cb 0.68 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.15 1xjk h HIS 426 CO -0.38 0.00 -0.11 0.00 0.86 0.00 0.00 177.93 178.29 1xjk h ALA 427 N 2.26 0.11 0.00 2.45 0.00 -0.91 -1.93 119.26 121.24 1xjk h ALA 427 Ca 0.00 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1xjk h ALA 427 Cb 0.86 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1xjk h ALA 427 CO 0.00 -0.02 -0.53 0.45 0.00 0.00 0.00 179.25 179.14 1xjk h HIS 428 N -0.26 0.00 -0.52 0.00 -0.00 -1.28 -2.32 115.15 110.77 1xjk h HIS 428 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.25 1xjk h HIS 428 Cb 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.07 1xjk h HIS 428 CO 0.11 0.53 -0.16 -0.09 -0.00 0.00 0.00 177.93 178.33 1xjk h ARG 429 N 0.00 1.02 -0.71 2.45 2.43 -1.48 -0.22 114.38 117.86 1xjk h ARG 429 Ca -0.01 -0.40 0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1xjk h ARG 429 Cb 0.98 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1xjk h ARG 429 CO 0.07 1.09 0.45 1.15 -1.51 0.00 0.00 179.97 181.22 1xjk h THR 430 N 0.89 1.12 -0.79 0.20 2.02 -1.20 -1.88 112.91 113.27 1xjk h THR 430 Ca 0.13 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1xjk h THR 430 Cb 0.73 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1xjk h THR 430 CO 0.06 0.16 0.45 -1.28 0.37 0.00 0.00 175.52 175.29 1xjk h SER 431 N 0.90 0.97 -0.05 4.18 0.87 -1.02 0.26 113.55 119.66 1xjk h SER 431 Ca 0.28 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1xjk h SER 431 Cb -0.02 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 1xjk h SER 431 CO -0.09 0.76 -0.17 0.22 -0.53 0.00 0.00 176.83 177.01 1xjk h TYR 432 N 1.10 -0.52 -0.39 2.24 3.20 -0.82 0.96 116.97 122.74 1xjk h TYR 432 Ca 0.28 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.25 1xjk h TYR 432 Cb -0.01 0.23 -0.09 0.00 1.54 0.00 0.00 36.73 38.41 1xjk h TYR 432 CO 0.01 -0.17 -0.25 0.93 -1.64 0.00 0.00 178.16 177.04 1xjk h GLU 433 N -0.18 -0.18 -0.77 1.82 5.08 -0.84 -0.58 114.58 118.94 1xjk h GLU 433 Ca 0.01 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1xjk h GLU 433 Cb 0.22 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1xjk h GLU 433 CO -0.14 -0.12 0.50 -0.07 -1.00 0.00 0.00 179.01 178.18 1xjk h LEU 434 N -0.18 0.70 -0.54 1.33 4.07 -0.54 -0.51 115.31 119.63 1xjk h LEU 434 Ca 0.19 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 58.05 1xjk h LEU 434 Cb 0.48 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1xjk h LEU 434 CO -0.50 0.44 -0.08 1.23 -1.08 0.00 0.00 178.44 178.46 1xjk h GLY 435 N 0.79 1.09 1.01 0.83 0.00 0.66 0.81 103.07 108.25 1xjk h GLY 435 Ca 0.34 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1xjk h GLY 435 CO -0.12 0.79 0.45 0.50 0.00 0.00 0.00 176.54 178.17 1xjk h LYS 436 N 0.89 0.92 0.00 4.80 1.57 -1.03 -1.91 116.57 121.81 1xjk h LYS 436 Ca 0.14 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 1xjk h LYS 436 Cb 0.64 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1xjk h LYS 436 CO 0.04 0.62 -0.81 1.49 -0.57 0.00 0.00 179.45 180.22 1xjk h GLU 437 N 0.94 0.00 0.00 3.15 4.81 -0.65 -3.40 114.58 119.43 1xjk h GLU 437 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1xjk h GLU 437 Cb -0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1xjk h GLU 437 CO -0.05 0.81 -0.12 1.63 -0.73 0.00 0.00 179.01 180.55 1xjk n LYS 438 N -3.46 2.93 0.00 1.92 5.02 0.24 -4.22 118.16 120.59 1xjk n LYS 438 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xjk n LYS 438 Cb 0.81 -0.35 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1xjk n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjk n GLY 439 N 0.46 3.26 3.88 0.72 0.00 -0.72 -4.84 105.19 107.95 1xjk n GLY 439 Ca 0.00 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1xjk n GLY 439 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjk s ASN 440 N 0.00 6.39 0.22 1.61 0.01 -1.24 -4.38 114.94 117.55 1xjk s ASN 440 Ca 0.00 1.22 -0.31 0.00 -0.71 0.00 0.00 52.86 53.06 1xjk s ASN 440 Cb 0.00 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.19 1xjk s ASN 440 CO 0.00 -0.60 1.48 0.72 -1.51 0.00 0.00 177.10 177.20 1xjk s PHE 441 N -2.72 3.03 0.61 2.20 -0.71 -0.46 -4.79 117.98 115.14 1xjk s PHE 441 Ca 0.52 0.89 0.25 0.00 -1.04 0.00 0.00 56.93 57.55 1xjk s PHE 441 Cb -0.10 -3.86 1.07 0.00 -1.21 0.00 0.00 43.02 38.92 1xjk s PHE 441 CO 0.41 -2.93 1.51 -1.35 -1.34 0.00 0.00 175.22 171.52 1xjk h PRO 442 N 5.63 0.00 -0.59 1.99 0.11 -1.74 0.38 132.00 137.78 1xjk h PRO 442 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xjk h PRO 442 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjk h PRO 442 CO 0.82 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 1xjk n LEU 443 N -3.29 3.75 -0.29 2.35 4.77 -1.14 -4.40 117.00 118.76 1xjk n LEU 443 Ca 0.14 -1.79 0.09 0.00 -0.03 0.00 0.00 56.01 54.42 1xjk n LEU 443 Cb 1.11 -0.39 0.23 0.00 -2.33 0.00 0.00 43.42 42.04 1xjk n LEU 443 CO 0.22 0.89 0.87 0.25 -1.33 0.00 0.00 177.39 178.28 1xjk h LEU 444 N 4.35 -0.22 -0.95 2.23 6.46 -0.54 -2.35 115.31 124.29 1xjk h LEU 444 Ca 0.00 0.21 0.13 0.00 -0.12 0.00 0.00 57.88 58.09 1xjk h LEU 444 Cb 0.99 0.33 -0.09 0.00 -0.73 0.00 0.00 40.66 41.16 1xjk h LEU 444 CO 0.00 -0.19 0.57 -0.33 -0.62 0.00 0.00 178.44 177.87 1xjk h GLU 445 N 0.14 0.86 -0.33 1.25 5.08 -1.81 -1.50 114.58 118.26 1xjk h GLU 445 Ca 0.49 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1xjk h GLU 445 Cb 0.94 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1xjk h GLU 445 CO -0.69 0.57 0.00 0.44 -1.00 0.00 0.00 179.01 178.32 1xjk n ILE 446 N -4.69 0.42 -2.61 3.13 -5.35 -0.91 -4.62 119.36 104.73 1xjk n ILE 446 Ca 0.18 -0.69 -0.29 0.00 -0.27 0.00 0.00 62.75 61.68 1xjk n ILE 446 Cb 0.37 1.00 -0.01 0.00 -1.74 0.00 0.00 39.64 39.27 1xjk n ILE 446 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xjk s SER 447 N -1.56 6.34 0.07 7.28 1.04 -0.56 -4.85 113.70 121.46 1xjk s SER 447 Ca 0.37 1.06 0.10 0.00 0.48 0.00 0.00 55.95 57.96 1xjk s SER 447 Cb 0.22 -2.30 0.46 0.00 0.10 0.00 0.00 66.02 64.50 1xjk s SER 447 CO 0.31 -0.56 1.32 0.54 0.98 0.00 0.00 173.24 175.83 1xjk n ARG 448 N -2.00 0.04 0.24 4.02 1.74 0.12 -0.69 116.66 120.13 1xjk n ARG 448 Ca 0.02 0.43 0.11 0.00 -0.77 0.00 0.00 57.85 57.63 1xjk n ARG 448 Cb 0.55 -1.60 0.59 0.00 -1.02 0.00 0.00 32.46 30.98 1xjk n ARG 448 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1xjk h TYR 449 N 0.00 0.00 0.00 -1.55 0.05 -1.85 -3.18 116.97 110.44 1xjk h TYR 449 Ca 0.00 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.62 1xjk h TYR 449 Cb 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1xjk h TYR 449 CO 0.00 0.19 -1.50 -2.13 -1.05 0.00 0.00 178.16 173.67 1xjk n ARG 450 N -3.60 0.51 0.00 4.88 3.00 0.13 -3.99 116.66 117.59 1xjk n ARG 450 Ca -0.01 0.21 0.01 0.00 -0.00 0.00 0.00 57.85 58.06 1xjk n ARG 450 Cb 0.32 -1.39 0.07 0.00 0.00 0.00 0.00 32.46 31.47 1xjk n ARG 450 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1xjk n THR 451 N -4.31 0.00 -4.06 5.15 -2.24 -0.62 -4.78 114.28 103.43 1xjk n THR 451 Ca -0.27 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.43 1xjk n THR 451 Cb 0.63 -0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 1xjk n THR 451 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xjk s GLU 452 N -2.00 0.68 -0.11 -0.78 2.02 -1.20 -5.00 118.70 112.31 1xjk s GLU 452 Ca 0.03 -1.20 -0.05 0.00 0.02 0.00 0.00 54.97 53.77 1xjk s GLU 452 Cb 0.02 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 1xjk s GLU 452 CO 0.03 -0.15 0.10 -0.51 0.02 0.00 0.00 175.26 174.75 1xjk s ASP 453 N -2.92 6.06 -0.70 -0.19 1.01 -1.26 -4.67 116.67 114.00 1xjk s ASP 453 Ca 0.08 0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.72 1xjk s ASP 453 Cb 0.07 -1.90 0.00 0.00 1.01 0.00 0.00 42.92 42.11 1xjk s ASP 453 CO -0.09 0.40 0.00 0.59 0.21 0.00 0.00 175.17 176.28 1xjk n ASN 454 N 2.01 -4.14 -4.67 0.27 3.02 -1.26 -4.99 115.26 105.50 1xjk n ASN 454 Ca -0.19 0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 1xjk n ASN 454 Cb 0.55 -2.22 -0.03 0.00 -0.61 0.00 0.00 39.78 37.47 1xjk n ASN 454 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xjk s PHE 455 N -2.13 1.96 -0.09 3.10 5.36 -1.26 -5.02 117.98 119.92 1xjk s PHE 455 Ca 0.00 0.09 0.03 0.00 -0.96 0.00 0.00 56.93 56.09 1xjk s PHE 455 Cb 0.00 -4.00 0.01 0.00 -0.34 0.00 0.00 43.02 38.68 1xjk s PHE 455 CO 0.00 -4.23 -0.18 0.08 -1.46 0.00 0.00 175.22 169.42 1xjk s VAL 456 N 3.69 1.63 -0.50 3.12 1.01 -1.26 -4.82 120.40 123.28 1xjk s VAL 456 Ca 0.77 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1xjk s VAL 456 Cb -0.37 -1.44 0.07 0.00 0.00 0.00 0.00 36.38 34.64 1xjk s VAL 456 CO 0.33 0.47 0.85 -0.81 0.00 0.00 0.00 175.10 175.93 1xjk n PRO 457 N 3.69 1.25 -3.72 2.72 -0.04 -1.26 -4.83 135.00 132.81 1xjk n PRO 457 Ca -0.21 -0.29 -0.08 0.00 -0.04 0.00 0.00 63.50 62.89 1xjk n PRO 457 Cb 0.52 -1.35 -0.02 0.00 -0.04 0.00 0.00 33.50 32.62 1xjk n PRO 457 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xjk s PHE 458 N -0.75 -0.27 0.28 0.54 -0.12 -1.26 -4.21 117.98 112.18 1xjk s PHE 458 Ca 0.05 -0.09 0.10 0.00 -0.05 0.00 0.00 56.93 56.94 1xjk s PHE 458 Cb 0.04 0.66 0.38 0.00 -0.63 0.00 0.00 43.02 43.47 1xjk s PHE 458 CO 0.01 -1.06 1.63 0.00 -0.05 0.00 0.00 175.22 175.76 1xjk h ALA 459 N 2.00 1.01 -0.79 1.99 0.00 -1.74 -3.48 119.26 118.25 1xjk h ALA 459 Ca -0.23 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1xjk h ALA 459 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xjk h ALA 459 CO 0.27 0.73 0.00 -1.33 0.00 0.00 0.00 179.25 178.92 1xjk n MET 460 N -3.85 0.00 -0.79 0.00 2.81 0.12 -4.95 117.12 110.45 1xjk n MET 460 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1xjk n MET 460 Cb 0.59 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.10 1xjk n MET 460 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xjk n GLY 461 N 0.00 0.54 1.58 3.03 0.00 -1.26 -4.85 105.19 104.22 1xjk n GLY 461 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 46.02 45.43 1xjk n GLY 461 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xjk n MET 462 N -2.79 0.19 -3.60 1.61 2.81 -1.26 -5.12 117.12 108.96 1xjk n MET 462 Ca 0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 57.70 53.73 1xjk n MET 462 Cb 0.00 -0.08 -0.07 0.00 -0.71 0.00 0.00 33.22 32.36 1xjk n MET 462 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xjk s SER 463 N -2.03 -0.55 0.63 7.83 0.15 -1.26 -4.35 113.70 114.12 1xjk s SER 463 Ca 0.28 0.67 0.35 0.00 0.70 0.00 0.00 55.95 57.96 1xjk s SER 463 Cb 0.33 0.62 2.02 0.00 -1.71 0.00 0.00 66.02 67.28 1xjk s SER 463 CO -0.13 -0.51 2.25 -0.55 1.20 0.00 0.00 173.24 175.50 1xjk h ASN 464 N 3.57 0.00 0.95 5.45 7.08 -1.97 -3.12 115.58 127.54 1xjk h ASN 464 Ca -0.28 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 1xjk h ASN 464 Cb 1.15 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.39 1xjk h ASN 464 CO 0.34 0.00 0.00 -1.22 -2.08 0.00 0.00 177.43 174.47 1xjk n TYR 465 N -3.47 0.00 -0.32 4.14 4.01 -1.26 -4.14 117.16 116.12 1xjk n TYR 465 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.83 1xjk n TYR 465 Cb 0.14 -0.49 0.33 0.00 -0.31 0.00 0.00 39.34 39.01 1xjk n TYR 465 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xjk h ASP 466 N 0.00 0.76 -0.19 7.72 3.45 -1.95 -1.52 116.42 124.69 1xjk h ASP 466 Ca 0.00 0.06 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 1xjk h ASP 466 Cb 0.48 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1xjk h ASP 466 CO 0.00 0.35 -0.02 0.44 -1.57 0.00 0.00 179.24 178.43 1xjk h ASP 467 N 0.78 0.35 -0.56 6.45 3.32 -1.87 -1.70 116.42 123.19 1xjk h ASP 467 Ca 0.51 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1xjk h ASP 467 Cb 0.76 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.18 1xjk h ASP 467 CO -0.28 0.61 0.33 -0.08 -1.72 0.00 0.00 179.24 178.10 1xjk h GLU 468 N 0.09 0.77 -0.52 3.56 4.81 -1.75 -2.22 114.58 119.33 1xjk h GLU 468 Ca 0.05 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.30 1xjk h GLU 468 Cb 0.44 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 1xjk h GLU 468 CO 0.01 0.57 0.09 0.82 -0.73 0.00 0.00 179.01 179.77 1xjk h ILE 469 N 0.76 0.69 -0.26 2.32 2.04 -0.97 -0.75 117.51 121.34 1xjk h ILE 469 Ca 0.20 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1xjk h ILE 469 Cb 0.00 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1xjk h ILE 469 CO -0.04 0.04 0.15 0.03 0.00 0.00 0.00 178.15 178.33 1xjk h ARG 470 N 0.22 0.30 -0.86 2.37 3.08 -1.02 0.50 114.38 118.97 1xjk h ARG 470 Ca 0.26 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.40 1xjk h ARG 470 Cb 0.37 -0.07 -0.13 0.00 0.08 0.00 0.00 29.97 30.22 1xjk h ARG 470 CO -0.36 0.20 -0.48 1.49 -1.07 0.00 0.00 179.97 179.75 1xjk h GLU 471 N 0.31 -0.08 -0.41 0.04 4.81 -0.96 -0.95 114.58 117.34 1xjk h GLU 471 Ca 0.10 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1xjk h GLU 471 Cb -0.01 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1xjk h GLU 471 CO -0.05 -0.05 -0.10 0.28 -0.73 0.00 0.00 179.01 178.36 1xjk h VAL 472 N -0.08 1.25 -0.29 0.32 2.07 -0.22 -1.59 116.25 117.71 1xjk h VAL 472 Ca 0.22 -1.13 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 1xjk h VAL 472 Cb 0.52 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1xjk h VAL 472 CO -0.87 0.39 -0.32 0.24 0.02 0.00 0.00 177.57 177.02 1xjk h MET 473 N 0.66 0.62 -0.57 1.57 2.86 -0.46 -2.06 114.93 117.55 1xjk h MET 473 Ca 0.12 -0.28 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 1xjk h MET 473 Cb 0.56 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1xjk h MET 473 CO 0.03 0.86 0.00 -0.22 1.06 0.00 0.00 176.91 178.65 1xjk h LYS 474 N 0.52 0.97 -0.93 1.72 3.64 -0.89 -2.81 116.57 118.79 1xjk h LYS 474 Ca 0.06 -0.29 0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1xjk h LYS 474 Cb 0.81 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 1xjk h LYS 474 CO 0.07 0.96 0.59 0.52 -2.27 0.00 0.00 179.45 179.32 1xjk h MET 475 N 0.90 1.04 -0.28 1.90 2.86 -0.97 -2.91 114.93 117.47 1xjk h MET 475 Ca 0.16 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1xjk h MET 475 Cb 0.52 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1xjk h MET 475 CO 0.03 0.69 0.00 0.25 1.06 0.00 0.00 176.91 178.94 1xjk n THR 476 N -4.56 0.00 0.23 2.22 -2.24 -0.80 -2.17 114.28 106.96 1xjk n THR 476 Ca 0.14 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 1xjk n THR 476 Cb 0.18 -0.17 0.48 0.00 -2.10 0.00 0.00 70.33 68.72 1xjk n THR 476 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xjk h LYS 477 N 0.02 0.00 0.00 -0.78 3.64 -1.59 -3.36 116.57 114.51 1xjk h LYS 477 Ca 0.00 0.00 -0.42 0.00 -1.27 0.00 0.00 60.65 58.96 1xjk h LYS 477 Cb 0.14 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1xjk h LYS 477 CO 0.00 0.15 -2.39 0.39 -2.27 0.00 0.00 179.45 175.33 1xjk n GLU 478 N -3.27 0.58 -3.87 1.90 1.02 -0.92 -4.73 120.64 111.35 1xjk n GLU 478 Ca 0.01 0.26 -0.26 0.00 -0.02 0.00 0.00 57.16 57.15 1xjk n GLU 478 Cb 0.42 -1.49 -0.17 0.00 -0.02 0.00 0.00 31.44 30.18 1xjk n GLU 478 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1xjk s PHE 479 N -2.54 1.28 -0.30 -0.32 0.08 -1.24 -4.98 117.98 109.96 1xjk s PHE 479 Ca -0.38 -0.60 -0.01 0.00 0.12 0.00 0.00 56.93 56.06 1xjk s PHE 479 Cb 0.14 -1.13 0.19 0.00 -0.57 0.00 0.00 43.02 41.65 1xjk s PHE 479 CO 0.49 -0.47 0.62 0.50 -0.10 0.00 0.00 175.22 176.26 1xjk s ARG 480 N 1.78 0.55 0.27 0.44 3.52 -1.26 -4.06 118.95 120.19 1xjk s ARG 480 Ca 0.05 0.96 0.08 0.00 -0.13 0.00 0.00 55.73 56.69 1xjk s ARG 480 Cb -0.12 0.53 0.36 0.00 -1.56 0.00 0.00 34.95 34.15 1xjk s ARG 480 CO -0.07 -0.61 1.62 -0.09 -0.81 0.00 0.00 175.30 175.34 1xjk h ARG 481 N 8.00 0.12 -4.21 5.12 9.65 -1.35 -1.21 114.38 130.50 1xjk h ARG 481 Ca -0.22 -0.07 -0.27 0.00 -1.10 0.00 0.00 59.98 58.32 1xjk h ARG 481 Cb 1.16 0.01 -0.25 0.00 -1.39 0.00 0.00 29.97 29.50 1xjk h ARG 481 CO 0.24 0.65 -0.73 -0.80 2.80 0.00 0.00 179.97 182.13 1xjk s ASN 482 N -6.88 0.50 0.16 -3.80 -0.87 -1.26 -3.58 114.94 99.20 1xjk s ASN 482 Ca -0.03 -0.25 -0.05 0.00 -1.57 0.00 0.00 52.86 50.96 1xjk s ASN 482 Cb 0.13 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.25 41.35 1xjk s ASN 482 CO 0.77 -0.07 1.40 1.62 -2.57 0.00 0.00 177.10 178.25 1xjk h VAL 483 N 4.86 1.35 -3.60 1.60 3.04 -1.53 -3.46 116.25 118.50 1xjk h VAL 483 Ca -0.30 -2.08 -0.06 0.00 -1.01 0.00 0.00 66.70 63.25 1xjk h VAL 483 Cb 1.20 2.06 -0.11 0.00 -2.01 0.00 0.00 31.29 32.43 1xjk h VAL 483 CO 0.47 0.64 -0.15 0.00 -1.01 0.00 0.00 177.57 177.51 1xjk s ALA 484 N -3.67 -0.46 0.00 3.17 0.00 -1.26 -4.79 121.76 114.75 1xjk s ALA 484 Ca -0.07 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1xjk s ALA 484 Cb 0.10 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.07 1xjk s ALA 484 CO 0.86 -0.72 0.00 1.28 0.00 0.00 0.00 175.76 177.18 1xjk n LEU 485 N -0.27 0.00 -4.17 0.00 4.32 -1.22 -1.23 117.00 114.43 1xjk n LEU 485 Ca -0.09 -0.01 -0.18 0.00 -0.02 0.00 0.00 56.01 55.71 1xjk n LEU 485 Cb 0.63 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.31 1xjk n LEU 485 CO 0.21 0.00 -0.46 -0.76 -1.22 0.00 0.00 177.39 175.16 1xjk s LEU 486 N -0.23 2.28 0.17 2.23 1.43 -1.23 0.04 118.68 123.37 1xjk s LEU 486 Ca 0.00 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.29 1xjk s LEU 486 Cb 0.00 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.76 1xjk s LEU 486 CO 0.00 -0.08 0.53 0.28 0.23 0.00 0.00 176.35 177.31 1xjk s THR 487 N -1.28 0.03 -0.15 5.49 -1.32 -0.61 -1.82 115.64 115.97 1xjk s THR 487 Ca -0.02 -0.47 0.01 0.00 -1.21 0.00 0.00 61.69 60.00 1xjk s THR 487 Cb -0.10 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 1xjk s THR 487 CO 0.02 -0.12 -0.19 -0.63 -2.21 0.00 0.00 174.62 171.49 1xjk s ILE 488 N -3.82 2.35 0.32 5.08 -1.09 -1.18 -3.38 121.20 119.48 1xjk s ILE 488 Ca 0.05 -0.88 0.07 0.00 -2.23 0.00 0.00 60.65 57.66 1xjk s ILE 488 Cb -0.01 -1.97 -0.02 0.00 -1.58 0.00 0.00 42.46 38.89 1xjk s ILE 488 CO -0.08 0.53 0.37 0.00 -1.23 0.00 0.00 174.94 174.53 1xjk s ALA 489 N 0.84 4.01 0.40 9.38 0.00 -1.26 -0.04 121.76 135.08 1xjk s ALA 489 Ca -0.06 -1.50 0.12 0.00 0.00 0.00 0.00 51.96 50.52 1xjk s ALA 489 Cb -0.15 -1.47 0.84 0.00 0.00 0.00 0.00 23.12 22.34 1xjk s ALA 489 CO -0.01 0.04 1.92 -1.35 0.00 0.00 0.00 175.76 176.35 1xjk h PRO 490 N 1.10 0.12 -4.37 0.00 0.11 -1.93 -3.38 132.00 123.65 1xjk h PRO 490 Ca -0.46 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.35 1xjk h PRO 490 Cb 1.25 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1xjk h PRO 490 CO 0.56 0.32 -0.37 0.25 -0.21 0.00 0.00 178.00 178.55 1xjk n THR 491 N -4.26 -0.71 -0.28 -1.15 -2.24 -1.26 -3.42 114.28 100.96 1xjk n THR 491 Ca -0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1xjk n THR 491 Cb 0.29 -1.73 0.16 0.00 -2.10 0.00 0.00 70.33 66.95 1xjk n THR 491 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xjk h GLY 492 N -0.32 0.83 0.00 3.38 0.00 -1.98 -1.30 103.07 103.69 1xjk h GLY 492 Ca -0.32 0.16 -0.20 0.00 0.00 0.00 0.00 47.33 46.98 1xjk h GLY 492 CO 0.38 -0.33 -1.08 1.76 0.00 0.00 0.00 176.54 177.27 1xjk h SER 493 N 0.06 0.00 0.58 0.19 0.02 -2.01 -3.37 113.55 109.03 1xjk h SER 493 Ca 0.43 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1xjk h SER 493 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1xjk h SER 493 CO -0.76 1.42 -0.19 0.16 -1.14 0.00 0.00 176.83 176.32 1xjk h ILE 494 N -1.00 0.63 0.00 3.27 3.07 -1.92 -1.22 117.51 120.34 1xjk h ILE 494 Ca -0.30 -0.84 -0.14 0.00 1.55 0.00 0.00 64.86 65.13 1xjk h ILE 494 Cb 1.25 1.54 -0.02 0.00 -0.27 0.00 0.00 36.82 39.32 1xjk h ILE 494 CO -0.18 0.18 -0.69 0.77 -1.05 0.00 0.00 178.15 177.18 1xjk h SER 495 N 0.00 0.00 0.10 2.16 4.64 -1.47 -1.59 113.55 117.39 1xjk h SER 495 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1xjk h SER 495 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1xjk h SER 495 CO 0.02 0.69 -0.43 0.78 -0.87 0.00 0.00 176.83 177.03 1xjk h ASN 496 N 0.00 0.44 -0.06 4.97 4.21 -1.41 -1.29 115.58 122.44 1xjk h ASN 496 Ca -0.01 -0.20 -0.00 0.00 1.21 0.00 0.00 56.30 57.30 1xjk h ASN 496 Cb 1.28 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1xjk h ASN 496 CO 0.09 0.82 0.03 0.40 -1.29 0.00 0.00 177.43 177.47 1xjk h ILE 497 N 0.34 1.12 0.00 2.81 2.04 -1.22 -2.65 117.51 119.95 1xjk h ILE 497 Ca 0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1xjk h ILE 497 Cb 0.90 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1xjk h ILE 497 CO 0.08 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1xjk n ALA 498 N -2.18 2.43 -3.33 1.87 0.00 -0.61 -4.79 120.51 113.90 1xjk n ALA 498 Ca -0.06 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1xjk n ALA 498 Cb 0.09 -1.42 0.04 0.00 0.00 0.00 0.00 19.45 18.16 1xjk n ALA 498 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xjk n ASP 499 N -1.05 -6.58 -3.59 0.00 8.00 -0.54 -4.97 116.55 107.83 1xjk n ASP 499 Ca 0.18 -0.60 -0.05 0.00 0.71 0.00 0.00 54.79 55.03 1xjk n ASP 499 Cb 0.11 -4.55 -0.00 0.00 -0.02 0.00 0.00 41.12 36.66 1xjk n ASP 499 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xjk s THR 500 N -3.25 0.00 0.29 -3.53 -1.32 -0.85 -5.05 115.64 101.93 1xjk s THR 500 Ca 0.28 -0.81 -0.14 0.00 -1.21 0.00 0.00 61.69 59.81 1xjk s THR 500 Cb -0.06 -2.28 -0.09 0.00 -1.51 0.00 0.00 72.50 68.56 1xjk s THR 500 CO 0.78 0.00 0.70 -0.94 -2.21 0.00 0.00 174.62 172.95 1xjk s SER 501 N -3.03 6.77 0.09 8.08 1.04 -1.26 -4.46 113.70 120.94 1xjk s SER 501 Ca 0.14 1.22 -0.30 0.00 0.48 0.00 0.00 55.95 57.49 1xjk s SER 501 Cb -0.04 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 1xjk s SER 501 CO 0.06 -0.16 0.97 -0.44 0.98 0.00 0.00 173.24 174.65 1xjk s SER 502 N -2.23 7.47 0.33 7.02 0.01 -1.26 0.19 113.70 125.23 1xjk s SER 502 Ca 0.52 1.78 0.00 0.00 1.31 0.00 0.00 55.95 59.55 1xjk s SER 502 Cb -0.11 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1xjk s SER 502 CO 0.18 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1xjk n GLY 503 N 2.37 2.45 0.58 3.44 0.00 -1.22 -1.17 105.19 111.63 1xjk n GLY 503 Ca 0.03 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1xjk n GLY 503 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xjk n LEU 504 N 0.00 1.80 -4.77 0.99 -0.00 -1.26 -3.37 117.00 110.39 1xjk n LEU 504 Ca 0.00 -0.60 -0.38 0.00 -0.00 0.00 0.00 56.01 55.03 1xjk n LEU 504 Cb 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1xjk n LEU 504 CO 0.00 0.30 0.84 -1.61 -0.00 0.00 0.00 177.39 176.92 1xjk s GLU 505 N -2.00 4.00 0.82 1.47 0.41 -0.31 -4.66 118.70 118.43 1xjk s GLU 505 Ca 0.36 1.82 -0.11 0.00 -0.41 0.00 0.00 54.97 56.63 1xjk s GLU 505 Cb 0.21 -2.62 0.09 0.00 -1.78 0.00 0.00 34.13 30.03 1xjk s GLU 505 CO 0.33 -0.36 1.12 -1.25 -0.49 0.00 0.00 175.26 174.61 1xjk s PRO 506 N -2.39 1.77 0.23 0.39 0.04 -1.26 -4.28 135.00 129.50 1xjk s PRO 506 Ca 0.58 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1xjk s PRO 506 Cb -0.30 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1xjk s PRO 506 CO 0.37 -2.04 1.44 -0.80 0.04 0.00 0.00 177.00 176.01 1xjk s ASN 507 N -2.98 6.67 -0.03 6.66 0.01 -1.26 -4.67 114.94 119.34 1xjk s ASN 507 Ca 0.65 2.64 -0.26 0.00 -0.71 0.00 0.00 52.86 55.17 1xjk s ASN 507 Cb -0.20 -2.62 -0.20 0.00 0.41 0.00 0.00 41.25 38.63 1xjk s ASN 507 CO 0.55 -0.70 1.22 0.15 -1.51 0.00 0.00 177.10 176.82 1xjk h PHE 508 N 5.26 -0.02 -3.98 2.20 3.04 -1.94 -1.54 116.94 119.95 1xjk h PHE 508 Ca -0.45 -0.00 -0.59 0.00 3.98 0.00 0.00 57.97 60.90 1xjk h PHE 508 Cb 1.22 0.01 -0.23 0.00 2.56 0.00 0.00 35.95 39.50 1xjk h PHE 508 CO 0.61 0.49 -0.84 -0.51 -2.02 0.00 0.00 178.31 176.04 1xjk s LEU 509 N -9.17 2.27 0.22 0.59 1.43 -1.26 -4.00 118.68 108.76 1xjk s LEU 509 Ca -0.16 -0.67 0.19 0.00 -1.03 0.00 0.00 54.13 52.46 1xjk s LEU 509 Cb 0.01 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.28 1xjk s LEU 509 CO 0.66 0.11 1.17 -0.07 0.23 0.00 0.00 176.35 178.45 1xjk h LEU 510 N 4.21 0.00 -7.28 1.79 3.38 -1.87 -3.48 115.31 112.07 1xjk h LEU 510 Ca -0.46 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 1xjk h LEU 510 Cb 1.17 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.69 1xjk h LEU 510 CO 0.40 0.32 -0.19 0.00 0.09 0.00 0.00 178.44 179.06 1xjk s ALA 511 N -3.09 -1.11 0.04 1.53 0.00 -1.26 -0.59 121.76 117.29 1xjk s ALA 511 Ca 0.01 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 1xjk s ALA 511 Cb 0.08 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1xjk s ALA 511 CO 0.77 -0.21 0.08 2.48 0.00 0.00 0.00 175.76 178.88 1xjk n TYR 512 N 2.84 -1.14 -4.88 0.00 0.18 -0.73 -4.64 117.16 108.79 1xjk n TYR 512 Ca -0.13 -0.20 -0.29 0.00 1.88 0.00 0.00 57.90 59.16 1xjk n TYR 512 Cb 0.57 0.10 -0.15 0.00 -0.38 0.00 0.00 39.34 39.48 1xjk n TYR 512 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1xjk s THR 513 N -2.90 1.94 -0.31 -3.48 2.01 -1.26 -0.10 115.64 111.55 1xjk s THR 513 Ca 0.02 -1.26 0.01 0.00 0.31 0.00 0.00 61.69 60.77 1xjk s THR 513 Cb -0.01 -1.66 0.10 0.00 0.01 0.00 0.00 72.50 70.94 1xjk s THR 513 CO 0.01 0.35 0.07 0.00 -0.69 0.00 0.00 174.62 174.36 1xjk s ARG 514 N -1.09 1.03 0.37 4.92 3.03 -1.03 -4.98 118.95 121.21 1xjk s ARG 514 Ca 0.10 -1.30 -0.26 0.00 2.03 0.00 0.00 55.73 56.30 1xjk s ARG 514 Cb -0.09 -2.43 -0.12 0.00 -1.03 0.00 0.00 34.95 31.28 1xjk s ARG 514 CO 0.01 -0.93 1.11 1.19 -1.13 0.00 0.00 175.30 175.56 1xjk n PHE 515 N 4.65 1.59 -0.33 5.89 0.99 -1.26 -4.05 117.46 124.94 1xjk n PHE 515 Ca -0.01 0.58 -0.04 0.00 -0.00 0.00 0.00 57.45 57.98 1xjk n PHE 515 Cb 0.42 -2.30 0.08 0.00 -1.00 0.00 0.00 39.48 36.69 1xjk n PHE 515 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 1xjk h VAL 516 N 1.95 1.26 -6.58 -4.37 3.04 -0.61 -3.47 116.25 107.47 1xjk h VAL 516 Ca -0.44 -0.64 -0.52 0.00 -1.01 0.00 0.00 66.70 64.09 1xjk h VAL 516 Cb 1.32 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.64 1xjk h VAL 516 CO 0.59 0.29 -0.94 0.35 -1.01 0.00 0.00 177.57 176.85 1xjk n THR 517 N -4.34 -3.59 1.72 3.17 -2.24 -1.25 -4.87 114.28 102.87 1xjk n THR 517 Ca 0.09 -0.67 0.05 0.00 -2.27 0.00 0.00 64.05 61.25 1xjk n THR 517 Cb 0.10 -2.89 0.27 0.00 -2.10 0.00 0.00 70.33 65.72 1xjk n THR 517 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1xjk n LYS 518 N -4.50 0.86 0.00 -0.78 2.85 -1.26 -4.99 118.16 110.34 1xjk n LYS 518 Ca -0.21 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 1xjk n LYS 518 Cb 0.63 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.85 1xjk n LYS 518 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xjk n GLU 519 N -0.67 0.00 -3.84 -1.58 4.71 -1.26 -4.76 120.64 113.24 1xjk n GLU 519 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.94 1xjk n GLU 519 Cb 0.03 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.47 1xjk n GLU 519 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xjk n ASP 520 N -3.67 -2.78 -0.96 1.62 9.92 -1.26 -1.31 116.55 118.11 1xjk n ASP 520 Ca 0.00 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.44 1xjk n ASP 520 Cb 0.00 -1.04 0.00 0.00 -0.64 0.00 0.00 41.12 39.44 1xjk n ASP 520 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xjk n GLY 521 N -1.61 0.58 3.72 0.44 0.00 -1.26 -5.00 105.19 102.06 1xjk n GLY 521 Ca -0.10 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 1xjk n GLY 521 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xjk n THR 522 N -0.96 0.53 0.00 2.61 5.66 -0.42 -4.89 114.28 116.81 1xjk n THR 522 Ca 0.00 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1xjk n THR 522 Cb 0.42 -1.89 0.00 0.00 -1.55 0.00 0.00 70.33 67.31 1xjk n THR 522 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1xjk n LYS 523 N 2.95 0.00 -2.72 1.09 2.85 -1.26 -4.96 118.16 116.11 1xjk n LYS 523 Ca 0.12 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.35 1xjk n LYS 523 Cb 0.35 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.70 1xjk n LYS 523 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1xjk n GLU 524 N 0.00 -3.24 -2.82 -1.58 4.07 -1.26 -3.71 120.64 112.09 1xjk n GLU 524 Ca 0.00 2.52 -0.43 0.00 -0.06 0.00 0.00 57.16 59.19 1xjk n GLU 524 Cb 0.00 -3.28 -0.04 0.00 -0.06 0.00 0.00 31.44 28.06 1xjk n GLU 524 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1xjk s PRO 525 N -0.38 3.41 -0.42 5.31 0.04 -1.26 -0.12 135.00 141.57 1xjk s PRO 525 Ca -0.15 -0.08 -0.24 0.00 0.04 0.00 0.00 61.00 60.57 1xjk s PRO 525 Cb 0.01 -4.00 0.02 0.00 0.04 0.00 0.00 34.50 30.57 1xjk s PRO 525 CO 0.40 -1.39 0.82 -0.51 0.04 0.00 0.00 177.00 176.37 1xjk s LEU 526 N 3.91 4.15 -0.27 -3.56 1.43 -1.26 -4.97 118.68 118.12 1xjk s LEU 526 Ca 0.33 0.11 -0.25 0.00 -1.03 0.00 0.00 54.13 53.29 1xjk s LEU 526 Cb -0.11 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1xjk s LEU 526 CO 0.22 -0.89 0.87 -0.22 0.23 0.00 0.00 176.35 176.56 1xjk s LEU 527 N 3.35 4.07 -0.07 1.79 0.20 -1.26 -2.47 118.68 124.29 1xjk s LEU 527 Ca 0.32 0.97 -0.13 0.00 0.69 0.00 0.00 54.13 55.98 1xjk s LEU 527 Cb -0.12 -3.23 -0.05 0.00 -0.43 0.00 0.00 46.19 42.36 1xjk s LEU 527 CO 0.22 -0.60 0.34 -0.47 -0.29 0.00 0.00 176.35 175.55 1xjk s TYR 528 N 3.00 3.63 -0.03 5.38 5.04 0.86 -4.98 117.35 130.24 1xjk s TYR 528 Ca 0.36 0.81 0.04 0.00 -2.44 0.00 0.00 57.07 55.84 1xjk s TYR 528 Cb -0.15 -2.26 -0.00 0.00 0.35 0.00 0.00 41.96 39.90 1xjk s TYR 528 CO 0.09 0.53 -0.14 0.08 -1.34 0.00 0.00 175.55 174.78 1xjk s VAL 529 N -0.58 1.16 -0.31 3.14 1.01 -1.26 -1.78 120.40 121.78 1xjk s VAL 529 Ca 0.21 -0.58 -0.44 0.00 0.00 0.00 0.00 61.98 61.17 1xjk s VAL 529 Cb -0.15 -1.00 -0.20 0.00 0.00 0.00 0.00 36.38 35.04 1xjk s VAL 529 CO 0.09 0.34 1.44 -3.20 0.00 0.00 0.00 175.10 173.77 1xjk n ASN 530 N 3.12 0.94 0.18 3.32 2.85 0.25 -4.80 115.26 121.11 1xjk n ASN 530 Ca -0.17 1.17 0.11 0.00 -0.11 0.00 0.00 54.58 55.57 1xjk n ASN 530 Cb 0.54 -0.92 0.64 0.00 1.24 0.00 0.00 39.78 41.27 1xjk n ASN 530 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xjk h GLN 531 N 4.53 0.04 0.11 1.20 4.15 -1.99 0.39 115.11 123.54 1xjk h GLN 531 Ca -0.46 -0.00 -0.27 0.00 0.77 0.00 0.00 58.65 58.68 1xjk h GLN 531 Cb 1.38 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 29.07 1xjk h GLN 531 CO 0.87 0.02 -1.20 0.28 -1.93 0.00 0.00 178.83 176.87 1xjk h VAL 532 N 0.04 1.46 -0.54 2.39 2.07 -1.97 -2.76 116.25 116.95 1xjk h VAL 532 Ca 0.07 -2.91 -0.02 0.00 0.82 0.00 0.00 66.70 64.66 1xjk h VAL 532 Cb 0.24 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1xjk h VAL 532 CO -0.00 0.85 0.26 0.25 0.02 0.00 0.00 177.57 178.95 1xjk h LEU 533 N 0.11 0.70 -0.93 2.57 5.85 -1.70 -1.51 115.31 120.40 1xjk h LEU 533 Ca -0.13 -0.13 0.15 0.00 0.84 0.00 0.00 57.88 58.61 1xjk h LEU 533 Cb 1.91 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.67 1xjk h LEU 533 CO 0.20 0.63 0.54 0.03 -0.34 0.00 0.00 178.44 179.49 1xjk h ARG 534 N 0.72 0.74 0.00 1.25 3.08 -0.91 -1.32 114.38 117.94 1xjk h ARG 534 Ca 0.18 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.03 1xjk h ARG 534 Cb 0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1xjk h ARG 534 CO -0.02 0.49 -0.74 0.93 -1.07 0.00 0.00 179.97 179.56 1xjk h GLU 535 N 0.76 0.00 0.00 0.04 5.08 -1.12 -3.36 114.58 115.98 1xjk h GLU 535 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1xjk h GLU 535 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1xjk h GLU 535 CO -0.34 0.74 -0.83 1.63 -1.00 0.00 0.00 179.01 179.21 1xjk n LYS 536 N -3.28 2.34 -4.09 2.33 5.02 -0.62 -4.96 118.16 114.89 1xjk n LYS 536 Ca 0.01 -0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.92 1xjk n LYS 536 Cb 0.83 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 34.63 1xjk n LYS 536 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xjk s LEU 537 N -2.91 3.80 -0.47 -0.35 2.96 -0.51 -5.06 118.68 116.14 1xjk s LEU 537 Ca 0.02 0.13 -0.45 0.00 -0.22 0.00 0.00 54.13 53.61 1xjk s LEU 537 Cb 0.09 -1.94 -0.19 0.00 0.50 0.00 0.00 46.19 44.65 1xjk s LEU 537 CO 0.50 0.24 1.84 -3.20 -1.32 0.00 0.00 176.35 174.41 1xjk n ASN 538 N 3.06 1.23 0.26 3.68 4.05 -1.26 -4.77 115.26 121.51 1xjk n ASN 538 Ca -0.17 0.95 0.18 0.00 0.45 0.00 0.00 54.58 55.99 1xjk n ASN 538 Cb 0.53 -0.94 0.89 0.00 1.23 0.00 0.00 39.78 41.49 1xjk n ASN 538 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1xjk h PRO 539 N 7.07 0.00 -0.24 1.20 0.11 -1.96 0.25 132.00 138.42 1xjk h PRO 539 Ca -0.31 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.74 1xjk h PRO 539 Cb 1.38 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 1xjk h PRO 539 CO 1.02 0.00 -0.08 1.49 -0.21 0.00 0.00 178.00 180.22 1xjk h GLU 540 N 0.00 0.48 0.43 1.05 4.81 -2.00 -2.20 114.58 117.15 1xjk h GLU 540 Ca 0.06 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1xjk h GLU 540 Cb 0.52 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1xjk h GLU 540 CO -0.00 0.72 -0.20 0.82 -0.73 0.00 0.00 179.01 179.61 1xjk h ILE 541 N 0.21 0.51 -0.94 2.32 2.04 -0.95 -3.20 117.51 117.50 1xjk h ILE 541 Ca 0.06 -0.44 0.29 0.00 1.00 0.00 0.00 64.86 65.76 1xjk h ILE 541 Cb 0.55 0.70 -0.16 0.00 -0.74 0.00 0.00 36.82 37.17 1xjk h ILE 541 CO 0.03 0.07 0.28 0.25 0.00 0.00 0.00 178.15 178.78 1xjk h LEU 542 N -0.85 0.01 -0.56 1.44 6.46 -1.19 0.13 115.31 120.74 1xjk h LEU 542 Ca -0.06 0.23 0.10 0.00 -0.12 0.00 0.00 57.88 58.03 1xjk h LEU 542 Cb 0.56 0.30 -0.11 0.00 -0.73 0.00 0.00 40.66 40.68 1xjk h LEU 542 CO 0.10 -0.25 -0.31 0.50 -0.62 0.00 0.00 178.44 177.86 1xjk h LYS 543 N 0.14 -0.15 0.00 1.25 3.64 -1.39 -2.19 116.57 117.87 1xjk h LYS 543 Ca 0.64 0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.83 1xjk h LYS 543 Cb 1.41 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.24 1xjk h LYS 543 CO -0.73 -0.10 -1.10 0.07 -2.27 0.00 0.00 179.45 175.31 1xjk h ARG 544 N -0.16 0.01 -0.30 1.90 0.11 -0.80 -3.38 114.38 111.76 1xjk h ARG 544 Ca 0.23 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.26 1xjk h ARG 544 Cb 0.54 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.61 1xjk h ARG 544 CO -0.65 1.00 -0.00 -0.84 0.10 0.00 0.00 179.97 179.58 1xjk h ILE 545 N -0.98 1.18 -0.61 0.08 3.07 -1.47 -3.37 117.51 115.41 1xjk h ILE 545 Ca -0.30 -0.71 0.21 0.00 1.55 0.00 0.00 64.86 65.60 1xjk h ILE 545 Cb 1.28 0.96 -0.11 0.00 -0.27 0.00 0.00 36.82 38.67 1xjk h ILE 545 CO -0.18 0.24 0.16 1.21 -1.05 0.00 0.00 178.15 178.54 1xjk n GLU 546 N -4.30 -0.04 0.10 0.16 2.13 -0.82 0.24 120.64 118.10 1xjk n GLU 546 Ca 0.01 0.89 -0.02 0.00 0.66 0.00 0.00 57.16 58.70 1xjk n GLU 546 Cb 0.23 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.41 1xjk n GLU 546 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1xjk h LYS 547 N 0.00 0.00 -0.10 5.31 2.10 -1.87 -2.88 116.57 119.13 1xjk h LYS 547 Ca 0.44 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.95 1xjk h LYS 547 Cb 1.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 1xjk h LYS 547 CO -0.53 0.71 -0.55 1.49 -2.00 0.00 0.00 179.45 178.57 1xjk h GLU 548 N 0.00 0.29 -0.73 0.07 4.81 -0.49 -2.87 114.58 115.67 1xjk h GLU 548 Ca -0.01 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1xjk h GLU 548 Cb 1.56 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.93 1xjk h GLU 548 CO 0.09 0.76 0.26 1.25 -0.73 0.00 0.00 179.01 180.65 1xjk h LEU 549 N 0.23 1.03 -0.25 1.64 5.85 -1.32 -0.45 115.31 122.04 1xjk h LEU 549 Ca 0.00 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1xjk h LEU 549 Cb 1.03 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1xjk h LEU 549 CO 0.09 0.94 -0.21 0.40 -0.34 0.00 0.00 178.44 179.32 1xjk h ILE 550 N 1.08 0.38 0.20 4.05 2.04 -1.50 -0.90 117.51 122.86 1xjk h ILE 550 Ca 0.24 -1.41 -0.34 0.00 1.00 0.00 0.00 64.86 64.35 1xjk h ILE 550 Cb 0.26 2.09 0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1xjk h ILE 550 CO -0.01 0.20 -1.61 1.05 0.00 0.00 0.00 178.15 177.78 1xjk h GLU 551 N 0.00 0.43 0.00 2.37 4.11 -1.25 -3.39 114.58 116.85 1xjk h GLU 551 Ca -0.00 -0.74 -0.08 0.00 0.07 0.00 0.00 59.36 58.61 1xjk h GLU 551 Cb 1.07 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1xjk h GLU 551 CO 0.03 1.35 -1.50 1.63 0.07 0.00 0.00 179.01 180.58 1xjk n LYS 552 N -3.68 0.63 -0.90 1.06 5.02 -0.20 -4.99 118.16 115.10 1xjk n LYS 552 Ca -0.22 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1xjk n LYS 552 Cb 1.06 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1xjk n LYS 552 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjk n GLY 553 N 1.32 0.70 3.23 0.72 0.00 -0.34 -4.99 105.19 105.83 1xjk n GLY 553 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1xjk n GLY 553 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xjk s SER 554 N -2.64 0.19 0.12 1.61 0.15 -1.25 -4.69 113.70 107.18 1xjk s SER 554 Ca 0.00 -1.12 0.15 0.00 0.70 0.00 0.00 55.95 55.68 1xjk s SER 554 Cb 0.00 0.36 -0.09 0.00 -1.71 0.00 0.00 66.02 64.58 1xjk s SER 554 CO 0.00 -0.81 1.01 -0.07 1.20 0.00 0.00 173.24 174.57 1xjk h LEU 555 N 2.71 0.00 -0.79 3.45 3.38 -1.92 -3.43 115.31 118.71 1xjk h LEU 555 Ca -0.34 0.00 0.17 0.00 0.09 0.00 0.00 57.88 57.81 1xjk h LEU 555 Cb 1.22 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 1xjk h LEU 555 CO 0.54 0.60 0.25 0.07 0.09 0.00 0.00 178.44 180.00 1xjk h LYS 556 N 0.00 0.32 -1.77 1.13 2.10 -1.93 -2.17 116.57 114.25 1xjk h LYS 556 Ca -0.12 -0.02 -0.67 0.00 -2.00 0.00 0.00 60.65 57.85 1xjk h LYS 556 Cb 1.56 -0.07 -0.36 0.00 -0.90 0.00 0.00 32.23 32.47 1xjk h LYS 556 CO 0.06 0.21 0.03 -0.25 -2.00 0.00 0.00 179.45 177.50 1xjk n ASP 557 N -5.11 5.89 -4.27 7.07 8.00 -1.26 -4.92 116.55 121.95 1xjk n ASP 557 Ca 0.16 -3.76 -0.33 0.00 0.71 0.00 0.00 54.79 51.57 1xjk n ASP 557 Cb 0.51 -0.73 -0.15 0.00 -0.02 0.00 0.00 41.12 40.73 1xjk n ASP 557 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjk s ILE 558 N -5.27 2.71 0.14 0.53 1.01 -0.82 -5.11 121.20 114.40 1xjk s ILE 558 Ca 0.49 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 60.08 1xjk s ILE 558 Cb 0.40 -2.15 -0.09 0.00 0.01 0.00 0.00 42.46 40.63 1xjk s ILE 558 CO -0.27 0.51 1.55 -2.84 0.00 0.00 0.00 174.94 173.89 1xjk s PRO 559 N 0.88 4.23 0.00 2.79 0.02 -1.26 -4.07 135.00 137.59 1xjk s PRO 559 Ca -0.04 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1xjk s PRO 559 Cb -0.15 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1xjk s PRO 559 CO -0.01 -0.60 0.00 -0.25 -0.33 0.00 0.00 177.00 175.81 1xjk n ASP 560 N 4.28 -1.70 -4.70 2.53 8.00 -1.26 -5.02 116.55 118.67 1xjk n ASP 560 Ca 0.14 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.27 1xjk n ASP 560 Cb 0.39 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.14 1xjk n ASP 560 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xjk s VAL 561 N -2.00 5.27 0.25 2.53 0.11 -1.26 -5.04 120.40 120.26 1xjk s VAL 561 Ca 0.00 0.61 -0.27 0.00 -2.93 0.00 0.00 61.98 59.38 1xjk s VAL 561 Cb 0.00 -3.67 -0.16 0.00 -1.53 0.00 0.00 36.38 31.02 1xjk s VAL 561 CO 0.00 0.33 0.69 -2.65 -3.33 0.00 0.00 175.10 170.15 1xjk n PRO 562 N 3.94 0.54 0.27 1.54 -0.02 -1.26 -4.72 135.00 135.29 1xjk n PRO 562 Ca -0.10 0.19 0.13 0.00 -2.02 0.00 0.00 63.50 61.69 1xjk n PRO 562 Cb 0.52 -1.35 0.80 0.00 -0.02 0.00 0.00 33.50 33.45 1xjk n PRO 562 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xjk h GLU 563 N 1.34 0.00 0.00 -0.52 4.57 -2.00 -2.08 114.58 115.89 1xjk h GLU 563 Ca -0.33 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.77 1xjk h GLU 563 Cb 1.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.98 1xjk h GLU 563 CO 0.58 0.00 -0.65 0.87 -1.18 0.00 0.00 179.01 178.63 1xjk h LYS 564 N 0.00 0.00 0.12 1.92 1.57 -1.99 -2.37 116.57 115.81 1xjk h LYS 564 Ca 0.01 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.52 1xjk h LYS 564 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1xjk h LYS 564 CO -0.00 0.26 -1.20 0.82 -0.57 0.00 0.00 179.45 178.76 1xjk h ILE 565 N 0.00 1.42 -0.84 1.86 2.04 -1.75 -2.52 117.51 117.73 1xjk h ILE 565 Ca -0.03 -2.79 -0.01 0.00 1.00 0.00 0.00 64.86 63.03 1xjk h ILE 565 Cb 1.27 2.80 -0.04 0.00 -0.74 0.00 0.00 36.82 40.11 1xjk h ILE 565 CO 0.04 0.82 0.49 0.11 0.00 0.00 0.00 178.15 179.61 1xjk h LYS 566 N 0.15 1.14 -0.09 2.37 1.57 -1.37 -1.68 116.57 118.65 1xjk h LYS 566 Ca -0.14 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.35 1xjk h LYS 566 Cb 1.90 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1xjk h LYS 566 CO 0.21 0.81 -0.69 0.87 -0.57 0.00 0.00 179.45 180.08 1xjk h LYS 567 N 1.16 0.40 0.00 3.15 1.79 -1.46 -3.37 116.57 118.24 1xjk h LYS 567 Ca 0.30 -0.31 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1xjk h LYS 567 Cb -0.03 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1xjk h LYS 567 CO -0.05 0.94 -0.27 0.28 -1.08 0.00 0.00 179.45 179.27 1xjk h VAL 568 N 0.28 0.89 0.00 0.50 2.07 -1.42 -3.39 116.25 115.18 1xjk h VAL 568 Ca -0.02 -1.75 -0.63 0.00 0.82 0.00 0.00 66.70 65.12 1xjk h VAL 568 Cb 1.25 1.76 0.03 0.00 -1.52 0.00 0.00 31.29 32.80 1xjk h VAL 568 CO 0.12 0.30 3.63 0.49 0.02 0.00 0.00 177.57 182.13 1xjk n PHE 569 N -4.63 2.30 -2.82 1.57 3.01 -0.64 -4.54 117.46 111.70 1xjk n PHE 569 Ca -0.10 -2.91 -0.39 0.00 1.01 0.00 0.00 57.45 55.06 1xjk n PHE 569 Cb 0.34 -2.37 -0.06 0.00 -0.01 0.00 0.00 39.48 37.38 1xjk n PHE 569 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1xjk s VAL 570 N 2.43 4.18 0.62 -4.37 -7.23 -1.26 -4.71 120.40 110.06 1xjk s VAL 570 Ca 0.64 1.93 0.06 0.00 -1.81 0.00 0.00 61.98 62.80 1xjk s VAL 570 Cb 0.17 -4.22 0.10 0.00 0.56 0.00 0.00 36.38 32.98 1xjk s VAL 570 CO -0.06 0.45 0.86 0.68 -0.31 0.00 0.00 175.10 176.72 1xjk s VAL 571 N -1.25 2.17 0.20 1.32 -7.23 -1.26 -4.52 120.40 109.82 1xjk s VAL 571 Ca 0.41 -0.86 -0.11 0.00 -1.81 0.00 0.00 61.98 59.61 1xjk s VAL 571 Cb -0.24 -2.31 0.12 0.00 0.56 0.00 0.00 36.38 34.51 1xjk s VAL 571 CO 0.29 0.00 1.81 0.00 -0.31 0.00 0.00 175.10 176.89 1xjk h ALA 572 N -0.06 0.80 0.00 1.32 0.00 -1.41 -2.00 119.26 117.91 1xjk h ALA 572 Ca -0.32 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xjk h ALA 572 Cb 1.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xjk h ALA 572 CO 0.41 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1xjk n LEU 573 N -4.80 0.37 0.12 0.00 4.77 -1.26 -2.69 117.00 113.51 1xjk n LEU 573 Ca 0.07 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 1xjk n LEU 573 Cb 0.14 -0.46 0.46 0.00 -2.33 0.00 0.00 43.42 41.23 1xjk n LEU 573 CO 0.30 -0.20 0.87 0.47 -1.33 0.00 0.00 177.39 177.50 1xjk n ASP 574 N -1.87 0.75 -4.54 -1.43 8.00 -0.76 -4.74 116.55 111.95 1xjk n ASP 574 Ca 0.05 0.63 -0.36 0.00 0.71 0.00 0.00 54.79 55.82 1xjk n ASP 574 Cb 0.32 -0.81 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 1xjk n ASP 574 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjk s ILE 575 N -3.22 4.68 0.54 0.53 1.01 -1.09 -4.95 121.20 118.70 1xjk s ILE 575 Ca 0.07 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 1xjk s ILE 575 Cb 0.11 -3.17 -0.06 0.00 0.01 0.00 0.00 42.46 39.34 1xjk s ILE 575 CO 0.49 0.36 1.04 1.51 0.00 0.00 0.00 174.94 178.34 1xjk s ASP 576 N 1.22 6.07 0.28 3.58 1.47 -1.26 -4.80 116.67 123.23 1xjk s ASP 576 Ca 0.05 1.84 -0.05 0.00 1.18 0.00 0.00 52.55 55.58 1xjk s ASP 576 Cb -0.14 -2.54 0.54 0.00 -0.34 0.00 0.00 42.92 40.43 1xjk s ASP 576 CO 0.04 -0.97 1.50 -2.65 0.68 0.00 0.00 175.17 173.77 1xjk n PRO 577 N -1.57 -0.08 0.10 2.11 -0.02 -1.26 -0.98 135.00 133.30 1xjk n PRO 577 Ca 0.09 1.48 0.01 0.00 -2.02 0.00 0.00 63.50 63.06 1xjk n PRO 577 Cb 0.53 -2.25 0.35 0.00 -0.02 0.00 0.00 33.50 32.11 1xjk n PRO 577 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1xjk h MET 578 N 0.00 0.28 -0.05 -0.52 2.86 -1.93 -0.42 114.93 115.15 1xjk h MET 578 Ca 0.50 -0.07 -0.16 0.00 -2.06 0.00 0.00 59.70 57.91 1xjk h MET 578 Cb 0.87 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1xjk h MET 578 CO -0.96 0.44 -0.67 -0.44 1.06 0.00 0.00 176.91 176.34 1xjk h ASP 579 N 0.27 0.28 0.61 1.22 3.32 -1.42 0.37 116.42 121.07 1xjk h ASP 579 Ca 0.05 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1xjk h ASP 579 Cb 0.43 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1xjk h ASP 579 CO 0.03 0.87 -0.42 0.45 -1.72 0.00 0.00 179.24 178.44 1xjk h HIS 580 N 0.17 -1.13 -0.51 4.55 3.86 -0.87 -2.81 115.15 118.41 1xjk h HIS 580 Ca -0.02 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1xjk h HIS 580 Cb 1.21 0.41 -0.08 0.00 1.06 0.00 0.00 27.41 30.01 1xjk h HIS 580 CO 0.02 -0.62 0.05 1.25 0.86 0.00 0.00 177.93 179.50 1xjk h LEU 581 N -0.99 -0.11 -0.76 2.43 5.85 -0.81 -2.10 115.31 118.81 1xjk h LEU 581 Ca -0.07 0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.62 1xjk h LEU 581 Cb 0.82 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1xjk h LEU 581 CO 0.05 -0.03 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.55 1xjk h LEU 582 N 0.17 0.32 -0.17 2.25 3.38 -0.33 -1.71 115.31 119.22 1xjk h LEU 582 Ca 0.26 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xjk h LEU 582 Cb 0.38 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xjk h LEU 582 CO -0.39 0.77 0.10 -0.03 0.09 0.00 0.00 178.44 178.98 1xjk h MET 583 N 0.24 0.23 -0.68 1.13 4.05 -1.19 -2.10 114.93 116.61 1xjk h MET 583 Ca 0.01 -0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.55 1xjk h MET 583 Cb 0.96 -0.05 -0.10 0.00 -0.80 0.00 0.00 31.60 31.61 1xjk h MET 583 CO 0.08 0.21 0.12 0.37 0.23 0.00 0.00 176.91 177.92 1xjk h GLN 584 N 0.18 0.22 -0.96 0.39 4.15 -0.97 -1.51 115.11 116.62 1xjk h GLN 584 Ca 0.06 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1xjk h GLN 584 Cb 0.04 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.64 1xjk h GLN 584 CO -0.01 0.15 0.60 0.22 -1.93 0.00 0.00 178.83 177.85 1xjk h ASP 585 N 0.23 1.14 0.14 -0.69 1.82 -1.05 -0.99 116.42 117.01 1xjk h ASP 585 Ca 0.37 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 1xjk h ASP 585 Cb 0.61 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.33 1xjk h ASP 585 CO -0.49 0.86 -0.07 0.00 -1.61 0.00 0.00 179.24 177.93 1xjk h ALA 586 N 1.34 -0.18 -0.54 -0.78 0.00 -0.62 -1.94 119.26 116.54 1xjk h ALA 586 Ca 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1xjk h ALA 586 Cb -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xjk h ALA 586 CO -0.07 -0.53 0.21 0.74 0.00 0.00 0.00 179.25 179.61 1xjk h PHE 587 N -0.33 0.82 0.00 0.00 0.04 -1.10 -3.21 116.94 113.16 1xjk h PHE 587 Ca -0.02 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 1xjk h PHE 587 Cb 0.27 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 1xjk h PHE 587 CO -0.02 0.67 -0.12 0.37 -0.60 0.00 0.00 178.31 178.61 1xjk h GLN 588 N 0.73 0.00 -0.12 1.51 5.75 -1.04 -0.88 115.11 121.07 1xjk h GLN 588 Ca 0.18 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.71 1xjk h GLN 588 Cb 0.20 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.75 1xjk h GLN 588 CO -0.01 0.12 0.15 0.00 -2.65 0.00 0.00 178.83 176.44 1xjk h ARG 589 N 0.00 0.00 -0.04 1.69 3.08 -1.35 -3.11 114.38 114.66 1xjk h ARG 589 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1xjk h ARG 589 Cb 0.28 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.20 1xjk h ARG 589 CO 0.02 0.00 -0.66 0.66 -1.07 0.00 0.00 179.97 178.92 1xjk n TYR 590 N -3.67 0.13 -4.01 3.04 4.01 -0.34 0.12 117.16 116.44 1xjk n TYR 590 Ca 0.00 -1.28 -0.20 0.00 -0.16 0.00 0.00 57.90 56.26 1xjk n TYR 590 Cb 0.26 -0.23 -0.17 0.00 -0.31 0.00 0.00 39.34 38.89 1xjk n TYR 590 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xjk s VAL 591 N -2.47 0.44 0.06 -0.72 1.01 -1.16 -4.67 120.40 112.89 1xjk s VAL 591 Ca 0.37 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1xjk s VAL 591 Cb 0.38 -0.51 -0.23 0.00 0.00 0.00 0.00 36.38 36.01 1xjk s VAL 591 CO -0.09 0.22 1.08 -2.24 0.00 0.00 0.00 175.10 174.07 1xjk h ASP 592 N 7.53 0.11 -0.03 3.32 -0.00 -1.73 -3.44 116.42 122.18 1xjk h ASP 592 Ca -0.33 -0.13 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 1xjk h ASP 592 Cb 1.14 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.44 1xjk h ASP 592 CO 0.41 1.11 0.00 0.59 -0.00 0.00 0.00 179.24 181.35 1xjk n ASN 593 N -3.32 0.00 -1.21 4.15 3.02 -0.76 -4.93 115.26 112.21 1xjk n ASN 593 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1xjk n ASN 593 Cb 0.99 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.16 1xjk n ASN 593 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xjk n ASN 594 N 0.00 0.56 -3.88 6.41 3.02 0.13 -4.93 115.26 116.56 1xjk n ASN 594 Ca 0.00 -0.60 -0.19 0.00 -0.03 0.00 0.00 54.58 53.75 1xjk n ASN 594 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 1xjk n ASN 594 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xjk s ILE 595 N 0.95 0.46 -0.28 2.41 -1.09 -1.26 -3.12 121.20 119.27 1xjk s ILE 595 Ca 0.00 -0.09 -0.21 0.00 -2.23 0.00 0.00 60.65 58.12 1xjk s ILE 595 Cb 0.00 -0.50 -0.01 0.00 -1.58 0.00 0.00 42.46 40.37 1xjk s ILE 595 CO 0.00 0.21 0.67 -0.55 -1.23 0.00 0.00 174.94 174.03 1xjk s SER 596 N 0.88 6.57 -0.23 3.58 0.15 0.94 -4.57 113.70 121.02 1xjk s SER 596 Ca -0.11 0.60 -0.06 0.00 0.70 0.00 0.00 55.95 57.07 1xjk s SER 596 Cb -0.14 -2.35 0.11 0.00 -1.71 0.00 0.00 66.02 61.93 1xjk s SER 596 CO -0.00 -0.46 0.48 -0.75 1.20 0.00 0.00 173.24 173.70 1xjk s LYS 597 N 2.64 0.40 -0.15 5.44 2.47 -1.26 -4.72 119.74 124.56 1xjk s LYS 597 Ca 0.27 1.05 -0.25 0.00 -1.56 0.00 0.00 55.97 55.48 1xjk s LYS 597 Cb -0.15 0.35 -0.02 0.00 -1.46 0.00 0.00 37.83 36.55 1xjk s LYS 597 CO 0.10 -0.33 0.83 0.99 0.16 0.00 0.00 175.35 177.10 1xjk s THR 598 N 2.68 4.89 -0.75 3.43 2.01 -1.26 -4.07 115.64 122.57 1xjk s THR 598 Ca 0.01 1.63 -0.24 0.00 0.31 0.00 0.00 61.69 63.41 1xjk s THR 598 Cb -0.13 -4.14 0.06 0.00 0.01 0.00 0.00 72.50 68.31 1xjk s THR 598 CO -0.15 0.05 1.15 -0.63 -0.69 0.00 0.00 174.62 174.35 1xjk s ILE 599 N 2.00 4.10 0.28 1.82 -1.09 0.44 -4.93 121.20 123.82 1xjk s ILE 599 Ca 0.39 -0.25 -0.29 0.00 -2.23 0.00 0.00 60.65 58.27 1xjk s ILE 599 Cb -0.17 -4.82 -0.10 0.00 -1.58 0.00 0.00 42.46 35.80 1xjk s ILE 599 CO 0.13 -1.66 1.18 0.20 -1.23 0.00 0.00 174.94 173.56 1xjk s ASN 600 N 3.84 7.09 0.04 3.58 0.01 -1.26 -0.74 114.94 127.50 1xjk s ASN 600 Ca 0.30 2.39 0.05 0.00 -0.71 0.00 0.00 52.86 54.90 1xjk s ASN 600 Cb -0.11 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.90 1xjk s ASN 600 CO 0.08 -0.30 -0.15 -0.04 -1.51 0.00 0.00 177.10 175.17 1xjk s MET 601 N -1.31 1.00 0.61 -0.60 -1.94 0.10 -4.13 119.30 113.03 1xjk s MET 601 Ca 0.47 -0.79 -0.16 0.00 -1.71 0.00 0.00 55.69 53.50 1xjk s MET 601 Cb -0.34 -1.02 -0.03 0.00 2.01 0.00 0.00 34.83 35.45 1xjk s MET 601 CO 0.44 0.25 1.09 -1.25 -0.01 0.00 0.00 175.02 175.54 1xjk s PRO 602 N -1.16 3.11 0.59 2.03 0.04 -1.26 0.25 135.00 138.59 1xjk s PRO 602 Ca 0.02 1.36 0.29 0.00 0.04 0.00 0.00 61.00 62.71 1xjk s PRO 602 Cb -0.08 -1.99 1.48 0.00 0.04 0.00 0.00 34.50 33.95 1xjk s PRO 602 CO 0.01 -1.00 1.90 0.37 0.04 0.00 0.00 177.00 178.32 1xjk h GLN 603 N 0.42 0.00 -0.00 4.56 4.15 -1.97 -1.06 115.11 121.22 1xjk h GLN 603 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1xjk h GLN 603 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1xjk h GLN 603 CO 0.56 0.00 -0.33 -1.13 -1.93 0.00 0.00 178.83 176.00 1xjk n SER 604 N -3.72 0.38 -4.72 -0.69 3.41 -1.26 -4.87 113.62 102.15 1xjk n SER 604 Ca 0.08 -0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.20 1xjk n SER 604 Cb 0.67 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1xjk n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjk n ALA 605 N -1.43 1.55 -2.23 7.33 0.00 -0.40 -5.04 120.51 120.29 1xjk n ALA 605 Ca 0.07 0.25 -0.19 0.00 0.00 0.00 0.00 53.44 53.56 1xjk n ALA 605 Cb 0.33 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 1xjk n ALA 605 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xjk s THR 606 N -1.21 3.06 0.37 0.00 -4.23 -1.26 -4.97 115.64 107.40 1xjk s THR 606 Ca 0.62 -1.20 0.10 0.00 -1.18 0.00 0.00 61.69 60.02 1xjk s THR 606 Cb -0.48 -3.07 0.32 0.00 1.34 0.00 0.00 72.50 70.61 1xjk s THR 606 CO 0.57 -0.05 1.90 0.58 -0.54 0.00 0.00 174.62 177.09 1xjk h VAL 607 N 0.93 0.87 -0.85 2.29 2.07 -1.96 -1.67 116.25 117.93 1xjk h VAL 607 Ca -0.42 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1xjk h VAL 607 Cb 1.27 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1xjk h VAL 607 CO 0.53 0.12 0.47 0.44 0.02 0.00 0.00 177.57 179.15 1xjk h ASP 608 N 0.64 1.06 -0.95 0.57 3.32 -1.96 0.21 116.42 119.31 1xjk h ASP 608 Ca 0.39 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 1xjk h ASP 608 Cb 0.63 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 1xjk h ASP 608 CO -0.16 0.85 0.58 0.44 -1.72 0.00 0.00 179.24 179.23 1xjk h ASP 609 N 1.19 1.14 0.20 6.45 3.32 -1.71 -1.65 116.42 125.36 1xjk h ASP 609 Ca 0.30 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1xjk h ASP 609 Cb 0.02 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1xjk h ASP 609 CO -0.05 0.87 -0.10 0.58 -1.72 0.00 0.00 179.24 178.82 1xjk h VAL 610 N 1.31 0.89 -0.97 -1.35 2.07 -0.74 -2.62 116.25 114.85 1xjk h VAL 610 Ca 0.34 -0.60 0.32 0.00 0.82 0.00 0.00 66.70 67.58 1xjk h VAL 610 Cb -0.07 1.24 -0.16 0.00 -1.52 0.00 0.00 31.29 30.79 1xjk h VAL 610 CO -0.07 0.13 0.43 -0.07 0.02 0.00 0.00 177.57 178.02 1xjk h LEU 611 N -0.58 0.26 -0.50 2.57 3.38 -0.91 -1.10 115.31 118.44 1xjk h LEU 611 Ca -0.03 0.22 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 1xjk h LEU 611 Cb 0.43 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1xjk h LEU 611 CO 0.05 -0.23 -0.69 0.78 0.09 0.00 0.00 178.44 178.44 1xjk h ASN 612 N 0.20 0.36 -0.25 -0.43 -0.26 -1.13 0.42 115.58 114.49 1xjk h ASN 612 Ca 0.70 -0.23 0.02 0.00 -0.56 0.00 0.00 56.30 56.23 1xjk h ASN 612 Cb 1.63 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 38.76 1xjk h ASN 612 CO -0.68 0.94 0.13 0.58 -1.06 0.00 0.00 177.43 177.33 1xjk h VAL 613 N 0.21 1.00 -0.24 2.81 2.07 -0.84 0.33 116.25 121.59 1xjk h VAL 613 Ca -0.02 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1xjk h VAL 613 Cb 1.24 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1xjk h VAL 613 CO 0.11 0.05 -0.05 1.88 0.02 0.00 0.00 177.57 179.58 1xjk h TYR 614 N 0.27 -0.10 -0.67 1.57 0.05 -1.24 0.15 116.97 117.00 1xjk h TYR 614 Ca 0.10 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 1xjk h TYR 614 Cb 0.02 0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 1xjk h TYR 614 CO -0.09 -0.09 0.25 -0.07 -1.05 0.00 0.00 178.16 177.11 1xjk h LEU 615 N 0.01 0.92 -0.73 3.88 3.38 -0.65 -1.88 115.31 120.25 1xjk h LEU 615 Ca 0.11 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1xjk h LEU 615 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xjk h LEU 615 CO -0.23 0.84 -0.35 -0.08 0.09 0.00 0.00 178.44 178.70 1xjk h GLU 616 N 0.98 0.57 0.00 1.13 4.57 0.03 -2.51 114.58 119.34 1xjk h GLU 616 Ca 0.22 -0.27 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1xjk h GLU 616 Cb 0.22 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1xjk h GLU 616 CO -0.02 0.84 -0.30 0.00 -1.18 0.00 0.00 179.01 178.35 1xjk h ALA 617 N 1.14 1.44 0.00 2.92 0.00 -0.40 -1.42 119.26 122.93 1xjk h ALA 617 Ca 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1xjk h ALA 617 Cb 0.84 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1xjk h ALA 617 CO 0.07 0.37 -0.10 -0.07 0.00 0.00 0.00 179.25 179.53 1xjk h LEU 618 N 0.00 0.00 0.00 0.00 3.38 -0.90 -3.00 115.31 114.80 1xjk h LEU 618 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1xjk h LEU 618 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1xjk h LEU 618 CO 0.04 0.10 -1.66 0.54 0.09 0.00 0.00 178.44 177.54 1xjk n ARG 619 N -3.46 0.64 -0.14 1.13 1.74 -0.58 -4.71 116.66 111.27 1xjk n ARG 619 Ca -0.01 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1xjk n ARG 619 Cb 0.25 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1xjk n ARG 619 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xjk n THR 620 N -2.67 0.00 -0.92 0.55 -2.24 -0.91 -5.00 114.28 103.08 1xjk n THR 620 Ca -0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 1xjk n THR 620 Cb 0.78 -1.81 0.30 0.00 -2.10 0.00 0.00 70.33 67.50 1xjk n THR 620 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xjk n ASN 621 N -2.23 4.38 -4.76 3.42 3.02 -1.26 -4.99 115.26 112.84 1xjk n ASN 621 Ca 0.00 -2.93 -0.35 0.00 -0.03 0.00 0.00 54.58 51.26 1xjk n ASN 621 Cb 0.00 -0.57 0.03 0.00 -0.61 0.00 0.00 39.78 38.63 1xjk n ASN 621 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xjk s VAL 622 N -2.70 2.84 -2.50 2.41 -7.23 -1.26 -4.80 120.40 107.16 1xjk s VAL 622 Ca 0.45 0.49 0.22 0.00 -1.81 0.00 0.00 61.98 61.34 1xjk s VAL 622 Cb 0.35 -3.15 0.33 0.00 0.56 0.00 0.00 36.38 34.47 1xjk s VAL 622 CO 0.12 -0.14 1.32 0.54 -0.31 0.00 0.00 175.10 176.62 1xjk n ARG 623 N -1.72 2.34 0.00 4.82 3.00 -1.26 -4.95 116.66 118.89 1xjk n ARG 623 Ca 0.13 -2.11 0.00 0.00 -0.01 0.00 0.00 57.85 55.86 1xjk n ARG 623 Cb 0.50 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.49 1xjk n ARG 623 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xjk n GLY 624 N 1.37 1.57 2.92 -0.13 0.00 -1.26 -1.51 105.19 108.15 1xjk n GLY 624 Ca 0.17 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 1xjk n GLY 624 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xjk s ILE 625 N -2.00 0.66 -0.15 -0.61 -1.09 -0.21 -4.96 121.20 112.85 1xjk s ILE 625 Ca 0.00 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1xjk s ILE 625 Cb 0.00 -0.66 0.00 0.00 -1.58 0.00 0.00 42.46 40.22 1xjk s ILE 625 CO 0.00 0.25 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.89 1xjk s THR 626 N 0.81 2.42 0.04 2.92 2.01 -1.26 -1.67 115.64 120.92 1xjk s THR 626 Ca -0.12 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.07 1xjk s THR 626 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.33 1xjk s THR 626 CO 0.01 0.53 -0.10 0.68 -0.69 0.00 0.00 174.62 175.05 1xjk s VAL 627 N 0.80 3.38 -0.06 3.82 -7.23 -1.26 -0.42 120.40 119.43 1xjk s VAL 627 Ca -0.06 -0.99 -0.00 0.00 -1.81 0.00 0.00 61.98 59.12 1xjk s VAL 627 Cb -0.15 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.32 1xjk s VAL 627 CO -0.01 0.31 -0.02 -0.47 -0.31 0.00 0.00 175.10 174.60 1xjk s TYR 628 N -1.03 0.77 -0.33 2.82 5.04 0.08 -4.56 117.35 120.15 1xjk s TYR 628 Ca 0.18 -0.23 -0.18 0.00 -2.44 0.00 0.00 57.07 54.40 1xjk s TYR 628 Cb -0.11 -0.78 -0.01 0.00 0.35 0.00 0.00 41.96 41.41 1xjk s TYR 628 CO 0.09 -0.29 0.49 0.50 -1.34 0.00 0.00 175.55 175.00 1xjk s ARG 629 N 1.50 3.74 0.00 4.97 3.52 -1.26 0.03 118.95 131.45 1xjk s ARG 629 Ca -0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 1xjk s ARG 629 Cb -0.13 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.49 1xjk s ARG 629 CO -0.03 -0.55 0.00 -3.47 -0.81 0.00 0.00 175.30 170.44 1xjk n ASP 630 N 5.65 0.00 -1.67 -2.12 2.03 0.14 -0.42 116.55 120.16 1xjk n ASP 630 Ca -0.05 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.23 1xjk n ASP 630 Cb 0.49 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.17 1xjk n ASP 630 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xjk n GLY 631 N -0.75 3.93 0.42 0.27 0.00 -1.26 -5.72 105.19 102.08 1xjk n GLY 631 Ca 0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 1xjk n GLY 631 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xjk h SER 632 N 2.25 -0.88 -0.03 1.61 0.02 -1.01 -3.52 113.55 111.98 1xjk h SER 632 Ca 0.21 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1xjk h SER 632 Cb 2.08 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.85 1xjk h SER 632 CO 0.60 -0.53 0.00 -0.11 -1.14 0.00 0.00 176.83 175.65