#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjm s LYS 2 N 0.00 3.50 0.24 2.12 1.02 -1.26 -2.32 119.74 123.04 1xjm s LYS 2 Ca 0.00 1.78 -0.04 0.00 0.02 0.00 0.00 55.97 57.73 1xjm s LYS 2 Cb 0.00 -2.22 0.44 0.00 -0.52 0.00 0.00 37.83 35.53 1xjm s LYS 2 CO 0.00 -0.77 1.75 1.25 -0.92 0.00 0.00 175.35 176.66 1xjm h LEU 3 N 1.62 0.37 -1.18 3.17 6.46 -1.86 -1.47 115.31 122.42 1xjm h LEU 3 Ca -0.50 0.09 0.19 0.00 -0.12 0.00 0.00 57.88 57.54 1xjm h LEU 3 Cb 1.26 0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 41.15 1xjm h LEU 3 CO 0.58 0.16 0.61 0.77 -0.62 0.00 0.00 178.44 179.95 1xjm h SER 4 N 0.51 0.68 -0.18 1.25 4.64 -1.97 0.40 113.55 118.88 1xjm h SER 4 Ca 0.41 0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.70 1xjm h SER 4 Cb 0.57 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1xjm h SER 4 CO -0.36 0.26 -0.26 0.44 -0.87 0.00 0.00 176.83 176.04 1xjm h ASP 5 N 0.67 0.54 -0.69 4.97 3.32 -1.65 -2.48 116.42 121.09 1xjm h ASP 5 Ca 0.54 -0.52 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1xjm h ASP 5 Cb 0.96 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 1xjm h ASP 5 CO -0.30 0.95 0.19 0.25 -1.72 0.00 0.00 179.24 178.61 1xjm h LEU 6 N 0.13 1.03 -0.38 1.55 5.85 -0.86 -2.62 115.31 120.01 1xjm h LEU 6 Ca 0.02 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1xjm h LEU 6 Cb 0.84 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1xjm h LEU 6 CO 0.06 0.98 -0.02 0.40 -0.34 0.00 0.00 178.44 179.52 1xjm h ILE 7 N 1.05 0.70 -0.74 4.05 2.04 -0.24 -1.74 117.51 122.63 1xjm h ILE 7 Ca 0.22 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 66.21 1xjm h ILE 7 Cb 0.33 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1xjm h ILE 7 CO -0.00 0.01 0.50 0.28 0.00 0.00 0.00 178.15 178.94 1xjm h SER 8 N 0.08 0.34 0.94 1.72 0.02 -1.09 0.29 113.55 115.86 1xjm h SER 8 Ca 0.19 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1xjm h SER 8 Cb 0.27 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1xjm h SER 8 CO -0.33 0.18 -0.15 0.03 -1.14 0.00 0.00 176.83 175.41 1xjm h ARG 9 N 0.36 0.00 0.00 3.45 3.08 -1.01 -3.36 114.38 116.90 1xjm h ARG 9 Ca 0.36 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.38 1xjm h ARG 9 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1xjm h ARG 9 CO -0.11 0.15 -1.19 0.91 -1.07 0.00 0.00 179.97 178.67 1xjm n TRP 10 N -3.31 0.00 0.19 3.04 7.02 -0.69 -4.71 117.44 118.98 1xjm n TRP 10 Ca 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.56 1xjm n TRP 10 Cb 0.39 -0.12 0.59 0.00 -2.42 0.00 0.00 31.31 29.75 1xjm n TRP 10 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1xjm h ILE 11 N 0.00 1.01 -0.52 -0.99 2.10 -0.61 0.42 117.51 118.93 1xjm h ILE 11 Ca -0.05 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1xjm h ILE 11 Cb 0.77 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1xjm h ILE 11 CO 0.00 0.02 0.00 0.47 -1.08 0.00 0.00 178.15 177.57 1xjm n ASP 12 N -4.52 3.57 -4.66 2.19 8.00 -1.26 -4.61 116.55 115.27 1xjm n ASP 12 Ca -0.01 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.10 1xjm n ASP 12 Cb 0.10 -0.34 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 1xjm n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xjm s VAL 13 N -1.20 4.86 0.22 2.53 1.01 0.14 -5.03 120.40 122.92 1xjm s VAL 13 Ca 0.41 1.62 -0.13 0.00 0.00 0.00 0.00 61.98 63.87 1xjm s VAL 13 Cb 0.22 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1xjm s VAL 13 CO 0.30 -0.02 0.60 -1.61 0.00 0.00 0.00 175.10 174.37 1xjm s GLU 14 N 2.47 3.93 0.58 2.72 2.02 -1.26 -4.97 118.70 124.20 1xjm s GLU 14 Ca 0.37 0.46 -0.20 0.00 0.02 0.00 0.00 54.97 55.62 1xjm s GLU 14 Cb -0.16 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 1xjm s GLU 14 CO 0.10 0.34 1.35 -2.14 0.02 0.00 0.00 175.26 174.93 1xjm s PRO 15 N -2.51 2.91 1.00 0.39 0.02 -1.26 -4.94 135.00 130.61 1xjm s PRO 15 Ca 0.45 2.21 -0.11 0.00 0.02 0.00 0.00 61.00 63.57 1xjm s PRO 15 Cb -0.13 -2.11 0.19 0.00 0.02 0.00 0.00 34.50 32.47 1xjm s PRO 15 CO 0.20 -1.36 1.11 -1.54 -0.33 0.00 0.00 177.00 175.07 1xjm s SER 16 N -1.07 2.27 0.34 2.53 1.04 -1.26 -4.73 113.70 112.81 1xjm s SER 16 Ca 0.76 1.96 0.07 0.00 0.48 0.00 0.00 55.95 59.22 1xjm s SER 16 Cb -0.40 -2.48 0.75 0.00 0.10 0.00 0.00 66.02 63.99 1xjm s SER 16 CO 0.46 -3.47 1.87 0.11 0.98 0.00 0.00 173.24 173.18 1xjm h LYS 17 N -2.12 0.74 0.53 4.02 1.57 -1.99 -0.91 116.57 118.41 1xjm h LYS 17 Ca -0.49 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1xjm h LYS 17 Cb 1.29 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1xjm h LYS 17 CO 0.45 0.49 -0.34 -0.97 -0.57 0.00 0.00 179.45 178.51 1xjm h ASN 18 N 0.76 -0.85 -0.97 0.86 -1.24 -1.98 -2.58 115.58 109.59 1xjm h ASN 18 Ca 0.45 0.05 0.13 0.00 0.71 0.00 0.00 56.30 57.65 1xjm h ASN 18 Cb 0.64 0.25 -0.08 0.00 0.73 0.00 0.00 38.32 39.87 1xjm h ASN 18 CO -0.21 -0.53 0.61 0.00 -1.29 0.00 0.00 177.43 176.01 1xjm h ALA 19 N -0.44 1.64 -0.13 1.57 0.00 -1.69 -2.63 119.26 117.58 1xjm h ALA 19 Ca -0.06 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1xjm h ALA 19 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xjm h ALA 19 CO 0.06 0.10 -0.19 1.96 0.00 0.00 0.00 179.25 181.18 1xjm h GLN 20 N 0.87 0.21 -0.05 0.00 4.20 -0.87 -0.68 115.11 118.80 1xjm h GLN 20 Ca 0.49 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.14 1xjm h GLN 20 Cb 0.60 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1xjm h GLN 20 CO -0.25 0.40 0.01 0.82 -0.67 0.00 0.00 178.83 179.14 1xjm h ILE 21 N 0.20 1.20 -0.85 2.54 2.04 -1.09 0.12 117.51 121.68 1xjm h ILE 21 Ca 0.04 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1xjm h ILE 21 Cb 0.45 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 1xjm h ILE 21 CO 0.03 0.17 0.54 0.40 0.00 0.00 0.00 178.15 179.29 1xjm h ILE 22 N -0.16 1.13 -0.02 -0.67 2.04 -1.39 0.19 117.51 118.63 1xjm h ILE 22 Ca 0.01 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 1xjm h ILE 22 Cb 0.26 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1xjm h ILE 22 CO 0.00 0.19 0.00 -0.07 0.00 0.00 0.00 178.15 178.27 1xjm h LEU 23 N 1.05 0.03 -0.52 1.44 3.38 -0.91 -2.00 115.31 117.79 1xjm h LEU 23 Ca 0.34 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1xjm h LEU 23 Cb 0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1xjm h LEU 23 CO -0.12 0.32 0.21 0.03 0.09 0.00 0.00 178.44 178.98 1xjm h ARG 24 N -0.27 0.40 0.06 1.13 3.08 -0.76 0.32 114.38 118.34 1xjm h ARG 24 Ca 0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1xjm h ARG 24 Cb 0.31 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1xjm h ARG 24 CO 0.00 0.26 -0.24 0.22 -1.07 0.00 0.00 179.97 179.15 1xjm h ASP 25 N 0.41 -0.69 0.00 7.04 -0.00 -0.54 -3.41 116.42 119.23 1xjm h ASP 25 Ca 0.24 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.36 1xjm h ASP 25 Cb 0.23 0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.83 1xjm h ASP 25 CO -0.22 -0.32 -0.35 -2.11 -0.00 0.00 0.00 179.24 176.24 1xjm n ARG 26 N -5.36 3.21 -0.12 0.28 1.85 -0.76 -4.94 116.66 110.82 1xjm n ARG 26 Ca -0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.62 1xjm n ARG 26 Cb 0.27 -0.61 -0.11 0.00 -1.05 0.00 0.00 32.46 30.97 1xjm n ARG 26 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xjm n TYR 27 N -0.64 0.00 -1.84 2.89 4.02 -0.05 -4.91 117.16 116.62 1xjm n TYR 27 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1xjm n TYR 27 Cb 0.00 -0.91 -0.03 0.00 -0.02 0.00 0.00 39.34 38.38 1xjm n TYR 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xjm s PHE 28 N -2.47 2.50 0.45 -0.72 0.08 -0.30 -4.75 117.98 112.76 1xjm s PHE 28 Ca -0.32 0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.76 1xjm s PHE 28 Cb 0.09 -4.04 -0.08 0.00 -0.57 0.00 0.00 43.02 38.42 1xjm s PHE 28 CO 0.53 -4.14 1.28 1.41 -0.10 0.00 0.00 175.22 174.20 1xjm s MET 29 N 2.24 3.76 0.16 0.44 1.75 -1.26 -4.86 119.30 121.52 1xjm s MET 29 Ca 0.75 2.08 0.07 0.00 -1.25 0.00 0.00 55.69 57.34 1xjm s MET 29 Cb -0.43 -2.58 -0.04 0.00 2.84 0.00 0.00 34.83 34.62 1xjm s MET 29 CO 0.33 -0.64 -0.15 0.15 -0.65 0.00 0.00 175.02 174.06 1xjm s LYS 30 N -2.48 1.18 0.71 4.11 1.02 -1.26 -0.28 119.74 122.74 1xjm s LYS 30 Ca 0.61 -1.38 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 1xjm s LYS 30 Cb -0.36 -1.08 0.07 0.00 -0.52 0.00 0.00 37.83 35.94 1xjm s LYS 30 CO 0.45 0.20 1.02 0.16 -0.92 0.00 0.00 175.35 176.27 1xjm s ASP 31 N -2.75 4.73 0.44 2.83 1.47 -0.49 -4.86 116.67 118.05 1xjm s ASP 31 Ca 0.14 0.42 0.30 0.00 1.18 0.00 0.00 52.55 54.59 1xjm s ASP 31 Cb -0.04 -1.03 1.42 0.00 -0.34 0.00 0.00 42.92 42.93 1xjm s ASP 31 CO 0.05 -1.65 1.62 -0.07 0.68 0.00 0.00 175.17 175.80 1xjm h LEU 32 N -0.63 0.24 -0.65 2.11 4.07 -2.02 0.32 115.31 118.75 1xjm h LEU 32 Ca -0.44 0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.61 1xjm h LEU 32 Cb 1.31 0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.17 1xjm h LEU 32 CO 0.59 -0.18 -0.19 0.44 -1.08 0.00 0.00 178.44 178.02 1xjm h ASP 33 N 0.09 0.00 0.00 -0.43 3.45 -2.06 -3.47 116.42 114.00 1xjm h ASP 33 Ca 0.82 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.28 1xjm h ASP 33 Cb 2.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 41.33 1xjm h ASP 33 CO -0.41 0.19 0.00 0.61 -1.57 0.00 0.00 179.24 178.06 1xjm n GLY 34 N 0.61 0.83 3.79 2.75 0.00 0.11 -5.09 105.19 108.18 1xjm n GLY 34 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1xjm n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjm s ASN 35 N -2.33 6.94 0.06 1.61 0.01 -1.26 -4.82 114.94 115.16 1xjm s ASN 35 Ca 0.00 1.94 -0.31 0.00 -0.71 0.00 0.00 52.86 53.78 1xjm s ASN 35 Cb 0.00 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 39.02 1xjm s ASN 35 CO 0.00 -0.36 1.37 -0.31 -1.51 0.00 0.00 177.10 176.29 1xjm s TYR 36 N -1.71 3.12 -0.38 2.20 2.02 -1.26 -1.40 117.35 119.94 1xjm s TYR 36 Ca 0.56 0.95 0.23 0.00 -0.37 0.00 0.00 57.07 58.44 1xjm s TYR 36 Cb -0.19 -3.64 0.11 0.00 -0.40 0.00 0.00 41.96 37.84 1xjm s TYR 36 CO 0.25 -2.24 1.13 -0.07 -1.57 0.00 0.00 175.55 173.05 1xjm h LEU 37 N 7.40 0.00 -7.89 -1.29 3.38 -0.98 -3.47 115.31 112.46 1xjm h LEU 37 Ca -0.40 -0.09 -0.38 0.00 0.09 0.00 0.00 57.88 57.09 1xjm h LEU 37 Cb 1.20 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.64 1xjm h LEU 37 CO 0.87 0.04 -0.77 -1.61 0.09 0.00 0.00 178.44 177.06 1xjm s GLU 38 N -3.29 0.71 0.00 1.13 2.02 -1.16 -4.93 118.70 113.17 1xjm s GLU 38 Ca 0.02 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1xjm s GLU 38 Cb 0.11 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.64 1xjm s GLU 38 CO 0.77 0.07 0.24 0.25 0.02 0.00 0.00 175.26 176.60 1xjm n THR 39 N 3.35 0.00 -3.79 3.63 -2.24 -1.26 -4.59 114.28 109.37 1xjm n THR 39 Ca -0.18 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 1xjm n THR 39 Cb 0.55 1.52 -0.13 0.00 -2.10 0.00 0.00 70.33 70.17 1xjm n THR 39 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1xjm s LYS 40 N -0.01 0.20 0.30 -0.78 2.47 -1.26 -5.04 119.74 115.63 1xjm s LYS 40 Ca 0.00 0.30 0.05 0.00 -1.56 0.00 0.00 55.97 54.76 1xjm s LYS 40 Cb 0.00 0.05 0.81 0.00 -1.46 0.00 0.00 37.83 37.23 1xjm s LYS 40 CO 0.00 -0.06 1.63 2.35 0.16 0.00 0.00 175.35 179.44 1xjm h TRP 41 N 6.15 0.40 -1.11 4.03 2.91 -2.00 0.62 115.95 126.95 1xjm h TRP 41 Ca -0.29 0.05 0.33 0.00 1.13 0.00 0.00 58.89 60.11 1xjm h TRP 41 Cb 1.19 -0.03 -0.12 0.00 -0.51 0.00 0.00 29.16 29.69 1xjm h TRP 41 CO 0.40 -0.26 0.69 1.49 -1.03 0.00 0.00 178.44 179.74 1xjm h GLU 42 N 0.18 0.28 -0.22 2.65 4.81 -1.96 -0.51 114.58 119.82 1xjm h GLU 42 Ca 0.60 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.63 1xjm h GLU 42 Cb 1.28 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1xjm h GLU 42 CO -0.70 0.19 -0.60 -0.44 -0.73 0.00 0.00 179.01 176.73 1xjm h ASP 43 N 0.29 0.90 -0.27 1.04 3.32 -0.15 -0.27 116.42 121.28 1xjm h ASP 43 Ca 0.70 -0.58 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1xjm h ASP 43 Cb 1.86 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 41.12 1xjm h ASP 43 CO -0.42 1.32 0.10 0.58 -1.72 0.00 0.00 179.24 179.09 1xjm h VAL 44 N 0.53 0.94 -0.60 -1.35 2.07 -1.18 -1.78 116.25 114.86 1xjm h VAL 44 Ca -0.01 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1xjm h VAL 44 Cb 1.22 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1xjm h VAL 44 CO 0.13 0.04 0.26 0.00 0.02 0.00 0.00 177.57 178.02 1xjm h ALA 45 N 1.17 0.78 0.11 1.67 0.00 -0.98 -0.30 119.26 121.70 1xjm h ALA 45 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xjm h ALA 45 Cb 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xjm h ALA 45 CO -0.12 0.37 -0.34 -0.09 0.00 0.00 0.00 179.25 179.07 1xjm h ARG 46 N 0.83 -0.54 -0.30 0.00 9.65 -0.96 0.08 114.38 123.13 1xjm h ARG 46 Ca 0.20 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1xjm h ARG 46 Cb 0.17 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 1xjm h ARG 46 CO -0.02 -0.36 0.19 -0.09 2.80 0.00 0.00 179.97 182.49 1xjm h ARG 47 N -0.56 0.40 -0.08 0.20 2.43 -1.09 -1.70 114.38 113.98 1xjm h ARG 47 Ca 0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1xjm h ARG 47 Cb 0.60 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1xjm h ARG 47 CO -0.21 0.28 -0.03 0.28 -1.51 0.00 0.00 179.97 178.78 1xjm h VAL 48 N 0.40 1.30 -0.41 0.20 2.07 -0.99 -1.54 116.25 117.28 1xjm h VAL 48 Ca 0.11 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1xjm h VAL 48 Cb -0.03 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1xjm h VAL 48 CO -0.02 0.27 0.07 0.00 0.02 0.00 0.00 177.57 177.91 1xjm h ALA 49 N 0.66 0.43 -0.34 1.67 0.00 -0.96 -1.65 119.26 119.07 1xjm h ALA 49 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xjm h ALA 49 Cb 0.44 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xjm h ALA 49 CO 0.01 -0.33 0.15 -0.09 0.00 0.00 0.00 179.25 178.99 1xjm h ARG 50 N 0.20 0.30 -0.53 0.00 2.43 -1.23 -0.86 114.38 114.69 1xjm h ARG 50 Ca 0.20 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1xjm h ARG 50 Cb 0.24 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1xjm h ARG 50 CO -0.27 0.20 0.13 0.28 -1.51 0.00 0.00 179.97 178.80 1xjm h VAL 51 N 0.31 1.24 0.03 0.20 2.07 -0.94 -2.29 116.25 116.88 1xjm h VAL 51 Ca 0.15 -0.87 -0.22 0.00 0.82 0.00 0.00 66.70 66.58 1xjm h VAL 51 Cb 0.09 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1xjm h VAL 51 CO -0.13 0.32 -0.97 0.58 0.02 0.00 0.00 177.57 177.39 1xjm h VAL 52 N 0.75 1.48 -0.65 2.57 2.07 -1.24 -3.05 116.25 118.18 1xjm h VAL 52 Ca 0.17 -2.71 -0.03 0.00 0.82 0.00 0.00 66.70 64.96 1xjm h VAL 52 Cb 0.34 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 1xjm h VAL 52 CO 0.00 0.79 0.30 0.00 0.02 0.00 0.00 177.57 178.69 1xjm h ALA 53 N 0.84 1.30 -1.28 1.67 0.00 -1.12 -2.64 119.26 118.03 1xjm h ALA 53 Ca -0.07 -0.14 0.37 0.00 0.00 0.00 0.00 54.91 55.07 1xjm h ALA 53 Cb 1.63 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 19.08 1xjm h ALA 53 CO 0.15 0.53 0.88 1.15 0.00 0.00 0.00 179.25 181.97 1xjm h THR 54 N 0.92 0.32 -0.01 0.00 2.02 -1.29 0.13 112.91 115.01 1xjm h THR 54 Ca 0.23 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1xjm h THR 54 Cb 0.11 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1xjm h THR 54 CO -0.03 0.02 0.25 0.00 0.37 0.00 0.00 175.52 176.14 1xjm h ALA 55 N 1.46 1.28 0.00 6.16 0.00 -1.59 -1.51 119.26 125.05 1xjm h ALA 55 Ca 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1xjm h ALA 55 Cb 2.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1xjm h ALA 55 CO -0.18 -0.26 0.00 0.93 0.00 0.00 0.00 179.25 179.75 1xjm h GLU 56 N 0.00 0.00 -1.07 0.00 4.39 -0.94 -1.36 114.58 115.60 1xjm h GLU 56 Ca 0.01 0.00 0.29 0.00 0.34 0.00 0.00 59.36 59.99 1xjm h GLU 56 Cb 0.51 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.05 1xjm h GLU 56 CO -0.00 0.00 0.67 -0.07 -1.16 0.00 0.00 179.01 178.45 1xjm h LEU 57 N 0.00 0.46 -0.12 1.33 4.07 -1.48 -2.20 115.31 117.36 1xjm h LEU 57 Ca 0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1xjm h LEU 57 Cb 0.34 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1xjm h LEU 57 CO 0.00 0.04 -0.20 0.18 -1.08 0.00 0.00 178.44 177.38 1xjm n LEU 58 N -4.70 0.38 -4.61 1.67 4.77 -0.51 -4.87 117.00 109.13 1xjm n LEU 58 Ca 0.28 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.95 1xjm n LEU 58 Cb 0.94 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1xjm n LEU 58 CO 0.22 0.08 1.56 0.21 -1.33 0.00 0.00 177.39 178.13 1xjm s ASN 59 N -2.76 5.94 0.17 -1.43 3.84 -0.83 -4.87 114.94 115.00 1xjm s ASN 59 Ca 0.20 1.55 0.22 0.00 0.21 0.00 0.00 52.86 55.04 1xjm s ASN 59 Cb 0.19 -2.52 0.89 0.00 -0.55 0.00 0.00 41.25 39.25 1xjm s ASN 59 CO 0.55 -1.63 1.68 -0.81 -2.79 0.00 0.00 177.10 174.11 1xjm n PRO 60 N 8.29 0.15 0.01 0.43 -0.04 -1.26 -2.63 135.00 139.94 1xjm n PRO 60 Ca 0.23 0.32 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 1xjm n PRO 60 Cb 0.46 -1.75 0.53 0.00 -0.04 0.00 0.00 33.50 32.69 1xjm n PRO 60 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xjm n SER 61 N -2.02 0.15 -4.81 3.54 7.64 -1.26 -4.81 113.62 112.05 1xjm n SER 61 Ca 0.03 0.34 -0.38 0.00 1.01 0.00 0.00 58.87 59.88 1xjm n SER 61 Cb 0.25 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 1xjm n SER 61 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xjm s TYR 62 N -3.01 3.64 0.23 1.43 4.12 -1.08 -5.08 117.35 117.60 1xjm s TYR 62 Ca 0.13 0.85 -0.21 0.00 0.02 0.00 0.00 57.07 57.86 1xjm s TYR 62 Cb 0.18 -2.28 -0.08 0.00 -1.52 0.00 0.00 41.96 38.26 1xjm s TYR 62 CO 0.57 0.53 0.75 0.15 0.02 0.00 0.00 175.55 177.57 1xjm s LYS 63 N -0.61 4.30 0.37 -0.62 1.02 -1.26 -4.93 119.74 118.00 1xjm s LYS 63 Ca 0.21 0.93 0.09 0.00 0.02 0.00 0.00 55.97 57.22 1xjm s LYS 63 Cb -0.15 -2.90 0.83 0.00 -0.52 0.00 0.00 37.83 35.09 1xjm s LYS 63 CO 0.10 0.40 1.90 0.87 -0.92 0.00 0.00 175.35 177.70 1xjm h LYS 64 N 3.46 0.65 0.00 1.68 1.57 -1.99 0.71 116.57 122.65 1xjm h LYS 64 Ca -0.48 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1xjm h LYS 64 Cb 1.19 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1xjm h LYS 64 CO 0.65 0.43 0.00 0.09 -0.57 0.00 0.00 179.45 180.05 1xjm n ASN 65 N -4.52 0.00 0.00 0.86 4.13 -1.26 -2.86 115.26 111.60 1xjm n ASN 65 Ca 0.15 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.30 1xjm n ASN 65 Cb 0.40 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1xjm n ASN 65 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1xjm n GLU 66 N -0.81 2.78 -0.01 3.52 2.13 0.15 -4.95 120.64 123.45 1xjm n GLU 66 Ca 0.01 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.73 1xjm n GLU 66 Cb 0.01 -0.52 -0.04 0.00 0.27 0.00 0.00 31.44 31.15 1xjm n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1xjm h LYS 67 N 0.00 -0.37 -0.26 5.31 3.64 -1.17 -2.25 116.57 121.47 1xjm h LYS 67 Ca 0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1xjm h LYS 67 Cb 0.03 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1xjm h LYS 67 CO 0.00 -0.24 0.11 1.25 -2.27 0.00 0.00 179.45 178.30 1xjm h LEU 68 N -0.38 0.32 0.62 5.20 5.85 -1.90 0.08 115.31 125.10 1xjm h LEU 68 Ca 0.10 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1xjm h LEU 68 Cb 0.54 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1xjm h LEU 68 CO -0.37 0.29 -0.35 0.44 -0.34 0.00 0.00 178.44 178.11 1xjm h ASP 69 N 0.37 -0.87 0.08 1.25 3.32 -1.80 -2.51 116.42 116.26 1xjm h ASP 69 Ca 0.09 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1xjm h ASP 69 Cb 0.07 0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xjm h ASP 69 CO -0.01 -0.56 -0.04 0.03 -1.72 0.00 0.00 179.24 176.94 1xjm h ARG 70 N -0.90 -0.11 -0.82 3.56 -0.00 -1.02 -1.86 114.38 113.23 1xjm h ARG 70 Ca -0.08 0.01 0.12 0.00 -0.50 0.00 0.00 59.98 59.53 1xjm h ARG 70 Cb 0.72 0.02 -0.08 0.00 0.00 0.00 0.00 29.97 30.63 1xjm h ARG 70 CO 0.10 -0.01 0.43 0.82 0.00 0.00 0.00 179.97 181.31 1xjm h ILE 71 N -0.18 0.80 -0.00 2.04 2.04 -1.06 -0.16 117.51 120.98 1xjm h ILE 71 Ca -0.01 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 1xjm h ILE 71 Cb 0.15 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1xjm h ILE 71 CO 0.02 0.12 -0.42 0.11 0.00 0.00 0.00 178.15 177.98 1xjm h LYS 72 N 0.67 0.01 -0.03 2.37 1.57 -1.19 0.30 116.57 120.26 1xjm h LYS 72 Ca 0.43 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1xjm h LYS 72 Cb 0.53 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1xjm h LYS 72 CO -0.32 0.43 -0.06 0.93 -0.57 0.00 0.00 179.45 179.86 1xjm h GLU 73 N 0.01 0.09 -0.66 3.15 5.08 -0.24 -2.37 114.58 119.65 1xjm h GLU 73 Ca -0.00 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1xjm h GLU 73 Cb 0.74 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 1xjm h GLU 73 CO 0.05 0.65 0.38 -1.49 -1.00 0.00 0.00 179.01 177.60 1xjm h TRP 74 N -0.45 0.69 -0.82 4.33 4.06 -1.08 -1.96 115.95 120.72 1xjm h TRP 74 Ca 0.00 0.02 0.07 0.00 2.06 0.00 0.00 58.89 61.04 1xjm h TRP 74 Cb 0.65 -0.22 -0.06 0.00 -1.00 0.00 0.00 29.16 28.53 1xjm h TRP 74 CO 0.12 0.35 0.49 1.49 -3.56 0.00 0.00 178.44 177.34 1xjm h GLU 75 N 0.71 0.85 -0.15 0.49 4.81 -0.90 -0.47 114.58 119.92 1xjm h GLU 75 Ca 0.28 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.25 1xjm h GLU 75 Cb 0.14 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1xjm h GLU 75 CO -0.16 0.56 -0.73 0.22 -0.73 0.00 0.00 179.01 178.17 1xjm h ASP 76 N 0.88 0.90 -0.27 1.04 3.58 -1.11 0.14 116.42 121.59 1xjm h ASP 76 Ca 0.37 -0.63 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 1xjm h ASP 76 Cb 0.22 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1xjm h ASP 76 CO -0.19 1.39 -0.02 -0.29 -2.88 0.00 0.00 179.24 177.25 1xjm h ILE 77 N 0.48 1.26 -0.77 2.25 6.09 -1.20 0.11 117.51 125.73 1xjm h ILE 77 Ca -0.05 -0.96 0.05 0.00 -1.37 0.00 0.00 64.86 62.52 1xjm h ILE 77 Cb 1.36 1.35 -0.05 0.00 0.47 0.00 0.00 36.82 39.95 1xjm h ILE 77 CO 0.15 0.31 0.48 -0.26 -3.07 0.00 0.00 178.15 175.75 1xjm h PHE 78 N 0.27 0.89 -0.44 2.19 0.04 -1.08 -0.90 116.94 117.91 1xjm h PHE 78 Ca 0.08 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 1xjm h PHE 78 Cb 0.45 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1xjm h PHE 78 CO 0.04 0.47 0.17 0.35 -0.60 0.00 0.00 178.31 178.74 1xjm h PHE 79 N 0.90 0.67 -0.32 -0.55 3.57 -0.48 -1.93 116.94 118.79 1xjm h PHE 79 Ca 0.33 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1xjm h PHE 79 Cb 0.10 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1xjm h PHE 79 CO -0.04 0.58 -0.03 0.00 -2.23 0.00 0.00 178.31 176.59 1xjm h ARG 80 N 0.56 0.59 -0.57 1.11 3.08 -0.32 -0.46 114.38 118.38 1xjm h ARG 80 Ca 0.14 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1xjm h ARG 80 Cb 0.20 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1xjm h ARG 80 CO -0.01 0.75 0.10 -0.39 -1.07 0.00 0.00 179.97 179.34 1xjm h VAL 81 N 0.38 1.26 -0.39 2.04 -1.51 -1.18 -1.45 116.25 115.39 1xjm h VAL 81 Ca 0.09 -0.97 -0.06 0.00 -1.23 0.00 0.00 66.70 64.53 1xjm h VAL 81 Cb 0.50 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1xjm h VAL 81 CO 0.02 0.35 0.02 -0.07 -1.23 0.00 0.00 177.57 176.67 1xjm h LEU 82 N 0.83 0.66 -0.57 4.19 3.38 -1.32 -1.36 115.31 121.13 1xjm h LEU 82 Ca 0.17 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1xjm h LEU 82 Cb 0.41 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1xjm h LEU 82 CO 0.01 0.79 0.16 0.50 0.09 0.00 0.00 178.44 179.99 1xjm h LYS 83 N 0.51 0.89 0.00 1.13 3.64 -1.04 -2.36 116.57 119.34 1xjm h LYS 83 Ca 0.11 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xjm h LYS 83 Cb 0.43 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1xjm h LYS 83 CO 0.02 0.81 0.00 0.00 -2.27 0.00 0.00 179.45 178.01 1xjm h ALA 84 N 1.04 1.00 -3.33 5.00 0.00 -1.28 -3.45 119.26 118.23 1xjm h ALA 84 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1xjm h ALA 84 Cb 0.30 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.16 1xjm h ALA 84 CO -0.00 0.00 -0.33 0.54 0.00 0.00 0.00 179.25 179.46 1xjm n ARG 85 N -3.00 -3.71 -0.00 0.00 1.74 -0.81 -4.66 116.66 106.22 1xjm n ARG 85 Ca -0.00 0.39 -0.04 0.00 -0.77 0.00 0.00 57.85 57.43 1xjm n ARG 85 Cb 0.25 -4.10 -0.12 0.00 -1.02 0.00 0.00 32.46 27.47 1xjm n ARG 85 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xjm n LEU 86 N -2.62 0.77 -3.79 0.55 4.77 -0.58 -4.68 117.00 111.43 1xjm n LEU 86 Ca -0.01 0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1xjm n LEU 86 Cb 0.53 0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.63 1xjm n LEU 86 CO 0.30 0.27 -0.27 0.12 -1.33 0.00 0.00 177.39 176.48 1xjm s PHE 87 N -2.77 -0.09 -0.06 -1.77 5.36 -1.23 -1.25 117.98 116.18 1xjm s PHE 87 Ca -0.04 0.29 -0.00 0.00 -0.96 0.00 0.00 56.93 56.22 1xjm s PHE 87 Cb 0.08 -0.08 0.02 0.00 -0.34 0.00 0.00 43.02 42.71 1xjm s PHE 87 CO 0.82 -0.10 -0.02 0.42 -1.46 0.00 0.00 175.22 174.88 1xjm s ILE 88 N 0.71 0.46 0.85 3.12 1.01 -0.45 -4.10 121.20 122.79 1xjm s ILE 88 Ca -0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 1xjm s ILE 88 Cb -0.08 -0.54 0.10 0.00 0.01 0.00 0.00 42.46 41.96 1xjm s ILE 88 CO -0.03 0.24 1.10 -2.16 0.00 0.00 0.00 174.94 174.09 1xjm s PRO 89 N 1.38 1.62 0.49 2.79 0.04 -1.26 -1.07 135.00 138.98 1xjm s PRO 89 Ca -0.04 0.68 -0.22 0.00 0.04 0.00 0.00 61.00 61.47 1xjm s PRO 89 Cb -0.13 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1xjm s PRO 89 CO -0.03 -1.96 0.93 0.27 0.04 0.00 0.00 177.00 176.26 1xjm n ASN 90 N -3.67 0.82 -0.32 6.66 2.04 0.12 -4.78 115.26 116.14 1xjm n ASN 90 Ca 0.07 0.93 0.15 0.00 -0.44 0.00 0.00 54.58 55.29 1xjm n ASN 90 Cb 0.56 -1.34 0.31 0.00 -2.53 0.00 0.00 39.78 36.78 1xjm n ASN 90 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1xjm h SER 91 N 1.07 -0.18 -0.63 0.53 0.02 -1.93 -0.77 113.55 111.66 1xjm h SER 91 Ca -0.46 0.24 0.13 0.00 -0.84 0.00 0.00 61.79 60.86 1xjm h SER 91 Cb 1.35 0.36 -0.04 0.00 0.14 0.00 0.00 62.40 64.22 1xjm h SER 91 CO 0.54 -0.27 0.43 -0.65 -1.14 0.00 0.00 176.83 175.74 1xjm h PRO 92 N 0.10 0.29 -0.87 3.45 0.11 -1.88 0.16 132.00 133.36 1xjm h PRO 92 Ca 0.59 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.66 1xjm h PRO 92 Cb 1.26 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1xjm h PRO 92 CO -0.78 0.19 0.45 1.15 -0.21 0.00 0.00 178.00 178.81 1xjm h THR 93 N 0.30 1.26 0.03 -1.15 2.02 -1.12 -0.13 112.91 114.11 1xjm h THR 93 Ca 0.30 -0.68 -0.23 0.00 0.77 0.00 0.00 66.41 66.57 1xjm h THR 93 Cb 0.78 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1xjm h THR 93 CO -0.07 0.30 -1.12 -0.07 0.37 0.00 0.00 175.52 174.93 1xjm h LEU 94 N 1.22 0.10 -0.25 2.58 3.38 -0.88 -2.45 115.31 119.02 1xjm h LEU 94 Ca 0.30 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 1xjm h LEU 94 Cb 0.07 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xjm h LEU 94 CO -0.04 1.09 -0.21 -0.26 0.09 0.00 0.00 178.44 179.10 1xjm h PHE 95 N 0.02 0.69 0.00 1.13 0.04 -0.72 -3.41 116.94 114.69 1xjm h PHE 95 Ca -0.06 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1xjm h PHE 95 Cb 1.84 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.84 1xjm h PHE 95 CO 0.01 0.89 -0.49 0.09 -0.60 0.00 0.00 178.31 178.22 1xjm n ASN 96 N -4.38 0.62 -4.68 2.17 3.02 -0.08 -4.92 115.26 107.01 1xjm n ASN 96 Ca -0.04 -0.64 -0.46 0.00 -0.03 0.00 0.00 54.58 53.40 1xjm n ASN 96 Cb 0.42 1.03 -0.04 0.00 -0.61 0.00 0.00 39.78 40.58 1xjm n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjm n ALA 97 N -1.25 1.32 -0.76 5.41 0.00 -0.92 -2.28 120.51 122.02 1xjm n ALA 97 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1xjm n ALA 97 Cb 0.14 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.14 1xjm n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjm n GLY 98 N 3.93 0.57 3.71 0.00 0.00 -1.26 -4.88 105.19 107.26 1xjm n GLY 98 Ca 0.19 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1xjm n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjm s LEU 99 N 0.00 4.35 0.00 0.99 1.43 -0.97 -2.64 118.68 121.85 1xjm s LEU 99 Ca 0.00 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1xjm s LEU 99 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1xjm s LEU 99 CO 0.00 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.81 1xjm n GLY 100 N 3.07 3.25 3.79 -3.19 0.00 -1.26 -1.95 105.19 108.90 1xjm n GLY 100 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1xjm n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjm s VAL 101 N -2.83 5.01 0.19 1.61 1.01 -1.08 -4.68 120.40 119.63 1xjm s VAL 101 Ca 0.00 0.96 -0.32 0.00 0.00 0.00 0.00 61.98 62.62 1xjm s VAL 101 Cb 0.00 -3.79 -0.15 0.00 0.00 0.00 0.00 36.38 32.45 1xjm s VAL 101 CO 0.00 0.50 1.31 0.29 0.00 0.00 0.00 175.10 177.19 1xjm n LYS 102 N 2.37 1.59 0.09 2.72 4.76 -1.26 -4.85 118.16 123.59 1xjm n LYS 102 Ca -0.11 0.57 0.09 0.00 -2.87 0.00 0.00 58.31 55.99 1xjm n LYS 102 Cb 0.52 -2.16 0.42 0.00 -1.84 0.00 0.00 35.03 31.96 1xjm n LYS 102 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xjm n HIS 103 N 1.88 0.53 0.22 2.13 8.25 -1.26 -1.57 115.22 125.40 1xjm n HIS 103 Ca 0.14 0.23 0.11 0.00 -0.26 0.00 0.00 57.72 57.94 1xjm n HIS 103 Cb 0.27 -0.87 0.33 0.00 1.12 0.00 0.00 29.99 30.84 1xjm n HIS 103 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1xjm h ASP 104 N 0.00 0.00 0.58 0.41 2.03 -2.03 -3.32 116.42 114.09 1xjm h ASP 104 Ca 0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 1xjm h ASP 104 Cb 0.22 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1xjm h ASP 104 CO 0.00 0.14 -1.49 0.18 -1.03 0.00 0.00 179.24 177.04 1xjm n LEU 105 N -3.18 0.57 0.10 0.15 4.77 -0.61 -4.09 117.00 114.72 1xjm n LEU 105 Ca 0.02 0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 56.20 1xjm n LEU 105 Cb 0.49 0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 1xjm n LEU 105 CO 0.33 0.01 0.33 -0.07 -1.33 0.00 0.00 177.39 176.67 1xjm h LEU 106 N 0.00 0.00 -0.72 2.23 3.38 -1.66 -3.36 115.31 115.18 1xjm h LEU 106 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1xjm h LEU 106 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1xjm h LEU 106 CO 0.02 0.77 0.00 0.79 0.09 0.00 0.00 178.44 180.11 1xjm n TRP 107 N -3.47 0.00 -2.16 1.13 8.01 -1.26 -3.89 117.44 115.80 1xjm n TRP 107 Ca -0.00 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.84 1xjm n TRP 107 Cb 0.79 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 30.10 1xjm n TRP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xjm s LYS 108 N -0.23 3.26 0.18 -0.99 -2.85 -1.26 -4.92 119.74 112.93 1xjm s LYS 108 Ca 0.00 1.55 -0.33 0.00 -1.00 0.00 0.00 55.97 56.19 1xjm s LYS 108 Cb 0.00 -2.00 -0.15 0.00 -2.06 0.00 0.00 37.83 33.63 1xjm s LYS 108 CO 0.00 -0.91 1.39 -2.30 0.10 0.00 0.00 175.35 173.62 1xjm n PRO 109 N -1.53 1.72 0.02 1.78 -0.02 -1.26 -4.87 135.00 130.84 1xjm n PRO 109 Ca 0.11 0.61 0.16 0.00 -2.02 0.00 0.00 63.50 62.36 1xjm n PRO 109 Cb 0.51 -2.26 0.62 0.00 -0.02 0.00 0.00 33.50 32.35 1xjm n PRO 109 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xjm h ILE 110 N 3.16 0.83 -0.07 4.25 2.10 -1.98 -0.96 117.51 124.83 1xjm h ILE 110 Ca -0.45 -0.04 -0.04 0.00 1.08 0.00 0.00 64.86 65.41 1xjm h ILE 110 Cb 1.30 0.69 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 1xjm h ILE 110 CO 0.78 0.02 -0.15 -2.24 -1.08 0.00 0.00 178.15 175.49 1xjm h ASP 111 N 0.13 0.11 0.75 2.19 2.03 -2.01 0.63 116.42 120.24 1xjm h ASP 111 Ca 0.22 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 1xjm h ASP 111 Cb 0.70 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1xjm h ASP 111 CO -0.03 0.27 0.00 0.00 -1.03 0.00 0.00 179.24 178.45 1xjm n GLN 112 N -4.31 0.09 -2.47 4.15 6.02 -0.37 -4.89 117.38 115.59 1xjm n GLN 112 Ca -0.02 0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 1xjm n GLN 112 Cb 0.25 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 1xjm n GLN 112 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1xjm s MET 113 N -2.90 4.59 0.38 -1.09 -1.94 0.21 -5.04 119.30 113.52 1xjm s MET 113 Ca 0.15 1.78 0.08 0.00 -1.71 0.00 0.00 55.69 55.98 1xjm s MET 113 Cb 0.16 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 1xjm s MET 113 CO 0.43 0.10 0.25 0.95 -0.01 0.00 0.00 175.02 176.73 1xjm s THR 114 N -0.55 2.81 0.47 2.05 -4.23 -1.26 -5.01 115.64 109.92 1xjm s THR 114 Ca 0.48 -1.54 0.15 0.00 -1.18 0.00 0.00 61.69 59.60 1xjm s THR 114 Cb -0.31 -3.02 0.21 0.00 1.34 0.00 0.00 72.50 70.72 1xjm s THR 114 CO 0.37 -0.08 2.04 0.25 -0.54 0.00 0.00 174.62 176.67 1xjm h LEU 115 N 1.31 0.00 -0.19 4.79 5.85 -1.96 -2.25 115.31 122.87 1xjm h LEU 115 Ca -0.43 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.18 1xjm h LEU 115 Cb 1.26 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1xjm h LEU 115 CO 0.62 0.12 -0.53 -0.08 -0.34 0.00 0.00 178.44 178.24 1xjm h GLU 116 N 0.00 0.00 -0.27 1.25 4.57 -1.98 -1.58 114.58 116.57 1xjm h GLU 116 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1xjm h GLU 116 Cb 0.22 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1xjm h GLU 116 CO 0.02 0.53 0.02 -0.44 -1.18 0.00 0.00 179.01 177.96 1xjm h ASP 117 N 0.00 0.44 -0.71 1.04 3.32 -1.81 -1.00 116.42 117.69 1xjm h ASP 117 Ca -0.01 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 1xjm h ASP 117 Cb 1.33 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1xjm h ASP 117 CO 0.07 0.61 0.17 1.88 -1.72 0.00 0.00 179.24 180.26 1xjm h TYR 118 N 0.25 1.20 -0.28 4.55 -1.99 -1.40 -2.23 116.97 117.07 1xjm h TYR 118 Ca 0.08 -0.14 -0.07 0.00 2.00 0.00 0.00 58.73 60.60 1xjm h TYR 118 Cb 0.37 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 1xjm h TYR 118 CO 0.03 0.97 -0.12 0.93 -0.00 0.00 0.00 178.16 179.97 1xjm h GLU 119 N 1.09 0.47 -0.44 4.88 5.08 -1.20 -1.84 114.58 122.61 1xjm h GLU 119 Ca 0.22 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1xjm h GLU 119 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xjm h GLU 119 CO 0.00 0.59 -0.20 1.49 -1.00 0.00 0.00 179.01 179.89 1xjm h GLU 120 N 0.44 0.92 -0.17 2.33 4.81 -0.94 -1.22 114.58 120.75 1xjm h GLU 120 Ca 0.08 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 1xjm h GLU 120 Cb 0.48 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 1xjm h GLU 120 CO 0.03 1.05 -0.07 0.82 -0.73 0.00 0.00 179.01 180.11 1xjm h ILE 121 N 0.75 0.75 -0.21 2.32 2.04 -1.18 -1.00 117.51 120.99 1xjm h ILE 121 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1xjm h ILE 121 Cb 0.77 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1xjm h ILE 121 CO 0.06 0.00 -0.10 0.22 0.00 0.00 0.00 178.15 178.33 1xjm h TYR 122 N -0.05 -0.24 -0.93 1.37 3.20 -1.13 -2.76 116.97 116.42 1xjm h TYR 122 Ca 0.09 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1xjm h TYR 122 Cb 0.19 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.54 1xjm h TYR 122 CO -0.22 -0.16 0.59 0.00 -1.64 0.00 0.00 178.16 176.73 1xjm h ARG 123 N -0.08 1.06 -0.66 1.82 3.08 -0.91 -3.27 114.38 115.42 1xjm h ARG 123 Ca 0.11 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1xjm h ARG 123 Cb 0.25 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1xjm h ARG 123 CO -0.26 0.70 0.00 -1.13 -1.07 0.00 0.00 179.97 178.21 1xjm n SER 124 N -4.55 4.51 -4.65 7.04 3.41 -0.41 -4.89 113.62 114.09 1xjm n SER 124 Ca 0.14 -2.39 -0.43 0.00 -0.26 0.00 0.00 58.87 55.93 1xjm n SER 124 Cb 0.17 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 1xjm n SER 124 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xjm s ARG 125 N -1.77 4.01 0.86 4.33 0.52 -1.22 -3.51 118.95 122.17 1xjm s ARG 125 Ca 0.49 1.97 -0.12 0.00 -0.52 0.00 0.00 55.73 57.54 1xjm s ARG 125 Cb 0.31 -4.00 0.19 0.00 0.52 0.00 0.00 34.95 31.97 1xjm s ARG 125 CO 0.24 -1.04 1.17 0.27 0.02 0.00 0.00 175.30 175.97 1xjm n ASN 126 N 7.71 0.31 0.00 0.23 0.23 -0.82 -4.91 115.26 118.01 1xjm n ASN 126 Ca 0.18 -1.56 0.10 0.00 -0.53 0.00 0.00 54.58 52.77 1xjm n ASN 126 Cb 0.44 -0.87 0.53 0.00 -2.08 0.00 0.00 39.78 37.79 1xjm n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xjm n HIS 127 N -3.51 0.00 1.07 -2.53 1.44 -1.26 -1.51 115.22 108.91 1xjm n HIS 127 Ca 0.15 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.98 1xjm n HIS 127 Cb 0.53 -0.22 0.11 0.00 0.12 0.00 0.00 29.99 30.53 1xjm n HIS 127 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xjm n LEU 128 N -1.22 1.90 -2.84 2.39 4.77 -1.26 -4.73 117.00 116.01 1xjm n LEU 128 Ca 0.11 -0.67 -0.23 0.00 -0.03 0.00 0.00 56.01 55.19 1xjm n LEU 128 Cb 0.14 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1xjm n LEU 128 CO 0.14 0.35 2.37 1.57 -1.33 0.00 0.00 177.39 180.49 1xjm n HIS 129 N -0.00 1.23 -3.65 -1.77 -0.00 -0.57 -4.84 115.22 105.61 1xjm n HIS 129 Ca 0.11 -2.06 -0.38 0.00 0.46 0.00 0.00 57.72 55.84 1xjm n HIS 129 Cb 0.45 -1.83 -0.12 0.00 -0.12 0.00 0.00 29.99 28.38 1xjm n HIS 129 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xjm s MET 130 N 2.30 3.62 0.00 1.57 0.00 -1.25 -1.18 119.30 124.36 1xjm s MET 130 Ca 0.54 -0.53 0.08 0.00 0.00 0.00 0.00 55.69 55.78 1xjm s MET 130 Cb 0.18 -3.56 0.09 0.00 0.00 0.00 0.00 34.83 31.54 1xjm s MET 130 CO -0.03 -0.29 0.82 1.28 0.00 0.00 0.00 175.02 176.80 1xjm n LEU 131 N 5.00 1.84 -4.64 4.11 4.77 -1.26 -4.56 117.00 122.26 1xjm n LEU 131 Ca -0.14 -1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 54.37 1xjm n LEU 131 Cb 0.51 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1xjm n LEU 131 CO 0.33 0.38 -0.35 -0.44 -1.33 0.00 0.00 177.39 175.98 1xjm s SER 132 N -0.74 4.88 -0.05 -1.43 0.01 -1.26 -3.29 113.70 111.82 1xjm s SER 132 Ca 0.11 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.28 1xjm s SER 132 Cb 0.07 -1.22 -0.27 0.00 0.21 0.00 0.00 66.02 64.81 1xjm s SER 132 CO 0.11 0.30 0.66 0.00 0.41 0.00 0.00 173.24 174.71 1xjm h ALA 133 N 4.57 0.36 -3.42 1.44 0.00 -1.88 -3.41 119.26 116.92 1xjm h ALA 133 Ca -0.49 -1.24 -0.66 0.00 0.00 0.00 0.00 54.91 52.53 1xjm h ALA 133 Cb 1.17 0.46 -0.23 0.00 0.00 0.00 0.00 17.79 19.19 1xjm h ALA 133 CO 0.55 1.22 -0.72 0.00 0.00 0.00 0.00 179.25 180.30 1xjm s PHE 135 N 0.08 -0.03 -0.04 0.00 0.40 -0.39 -1.07 117.98 116.93 1xjm s PHE 135 Ca -0.03 0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1xjm s PHE 135 Cb -0.14 -0.01 0.01 0.00 0.51 0.00 0.00 43.02 43.38 1xjm s PHE 135 CO 0.04 -0.21 -0.11 0.08 0.70 0.00 0.00 175.22 175.71 1xjm s VAL 136 N -0.87 1.02 0.05 -0.44 1.01 -0.94 -1.17 120.40 119.06 1xjm s VAL 136 Ca -0.10 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.50 1xjm s VAL 136 Cb -0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1xjm s VAL 136 CO 0.01 0.32 -0.21 0.68 0.00 0.00 0.00 175.10 175.90 1xjm s VAL 137 N 0.37 1.66 0.73 2.92 -7.23 -0.98 -0.44 120.40 117.42 1xjm s VAL 137 Ca -0.08 -1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 1xjm s VAL 137 Cb -0.12 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.39 1xjm s VAL 137 CO 0.02 0.15 1.09 -2.16 -0.31 0.00 0.00 175.10 173.89 1xjm s PRO 138 N -1.30 2.53 -0.38 4.82 0.04 -1.26 -4.41 135.00 135.04 1xjm s PRO 138 Ca 0.07 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.31 1xjm s PRO 138 Cb -0.09 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.65 1xjm s PRO 138 CO 0.02 -1.44 0.19 0.08 0.04 0.00 0.00 177.00 175.90 1xjm s VAL 139 N -2.76 0.87 0.69 -0.36 1.01 -1.26 -4.80 120.40 113.79 1xjm s VAL 139 Ca 0.62 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.54 1xjm s VAL 139 Cb -0.17 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1xjm s VAL 139 CO 0.51 -0.85 1.07 -0.83 0.00 0.00 0.00 175.10 174.99 1xjm s GLY 140 N 0.95 1.65 -1.51 4.51 0.00 -1.26 -4.44 107.32 107.21 1xjm s GLY 140 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 44.72 44.62 1xjm s GLY 140 CO -0.08 0.17 2.85 1.34 0.00 0.00 0.00 173.10 177.38 1xjm n ASP 141 N -2.99 8.20 -3.63 1.64 2.03 -1.26 -4.10 116.55 116.44 1xjm n ASP 141 Ca 0.07 -2.53 -0.15 0.00 0.52 0.00 0.00 54.79 52.69 1xjm n ASP 141 Cb 0.55 -1.49 -0.07 0.00 -0.72 0.00 0.00 41.12 39.39 1xjm n ASP 141 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xjm s SER 142 N 2.35 -0.42 0.25 1.67 1.04 -1.26 -4.96 113.70 112.37 1xjm s SER 142 Ca 0.65 0.34 -0.03 0.00 0.48 0.00 0.00 55.95 57.40 1xjm s SER 142 Cb 0.17 0.44 0.47 0.00 0.10 0.00 0.00 66.02 67.19 1xjm s SER 142 CO -0.06 -0.57 1.78 0.40 0.98 0.00 0.00 173.24 175.77 1xjm h ILE 143 N 3.30 0.79 -0.43 -1.02 1.08 -2.00 -0.57 117.51 118.65 1xjm h ILE 143 Ca -0.29 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 1xjm h ILE 143 Cb 1.17 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1xjm h ILE 143 CO 0.40 0.12 0.20 -0.08 -0.69 0.00 0.00 178.15 178.11 1xjm h GLU 144 N 0.66 0.63 -0.13 2.37 4.57 -1.96 -2.33 114.58 118.39 1xjm h GLU 144 Ca 0.43 -0.09 -0.15 0.00 -1.18 0.00 0.00 59.36 58.36 1xjm h GLU 144 Cb 0.53 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1xjm h GLU 144 CO -0.32 0.54 -0.57 0.93 -1.18 0.00 0.00 179.01 178.42 1xjm h GLU 145 N 0.56 0.40 -0.47 1.92 5.08 -1.75 -2.07 114.58 118.25 1xjm h GLU 145 Ca 0.15 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1xjm h GLU 145 Cb 0.13 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1xjm h GLU 145 CO -0.02 0.86 0.18 0.82 -1.00 0.00 0.00 179.01 179.85 1xjm h ILE 146 N 0.31 1.21 0.00 3.13 2.04 -1.02 -1.95 117.51 121.22 1xjm h ILE 146 Ca 0.00 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.05 1xjm h ILE 146 Cb 1.09 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1xjm h ILE 146 CO 0.10 0.25 -0.81 -0.26 0.00 0.00 0.00 178.15 177.43 1xjm h PHE 147 N 0.62 0.00 -0.60 1.37 0.04 -1.44 -0.61 116.94 116.32 1xjm h PHE 147 Ca 0.16 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 1xjm h PHE 147 Cb 0.22 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 1xjm h PHE 147 CO 0.01 0.56 0.21 1.49 -0.60 0.00 0.00 178.31 179.98 1xjm h GLU 148 N 0.00 0.88 -0.20 1.51 4.57 -1.37 -1.83 114.58 118.13 1xjm h GLU 148 Ca -0.05 -0.15 -0.20 0.00 -1.18 0.00 0.00 59.36 57.78 1xjm h GLU 148 Cb 1.47 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.92 1xjm h GLU 148 CO 0.06 0.74 -0.65 0.00 -1.18 0.00 0.00 179.01 177.98 1xjm h ALA 149 N 1.37 0.46 -0.42 2.92 0.00 -1.01 -1.11 119.26 121.47 1xjm h ALA 149 Ca 0.20 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xjm h ALA 149 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xjm h ALA 149 CO -0.01 0.69 0.25 0.28 0.00 0.00 0.00 179.25 180.46 1xjm h VAL 150 N 0.55 1.06 -0.58 0.00 2.07 -1.09 0.17 116.25 118.43 1xjm h VAL 150 Ca -0.02 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1xjm h VAL 150 Cb 1.26 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1xjm h VAL 150 CO 0.13 0.09 0.28 0.50 0.02 0.00 0.00 177.57 178.60 1xjm h LYS 151 N 0.52 0.51 -0.78 1.57 3.64 -1.24 -0.94 116.57 119.85 1xjm h LYS 151 Ca 0.16 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1xjm h LYS 151 Cb -0.01 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1xjm h LYS 151 CO -0.06 0.34 0.32 0.93 -2.27 0.00 0.00 179.45 178.70 1xjm h GLU 152 N 0.53 1.15 -0.20 1.90 5.08 -0.76 0.17 114.58 122.45 1xjm h GLU 152 Ca 0.27 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xjm h GLU 152 Cb 0.21 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1xjm h GLU 152 CO -0.20 0.92 0.09 1.88 -1.00 0.00 0.00 179.01 180.70 1xjm h TYR 153 N 1.12 0.16 -0.04 4.33 -1.99 -0.20 -1.29 116.97 119.06 1xjm h TYR 153 Ca 0.26 0.01 0.02 0.00 2.00 0.00 0.00 58.73 61.02 1xjm h TYR 153 Cb 0.20 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 38.86 1xjm h TYR 153 CO 0.02 0.09 -0.10 0.00 -0.00 0.00 0.00 178.16 178.17 1xjm h ALA 154 N 1.11 -0.07 -0.63 3.88 0.00 -0.50 -0.92 119.26 122.13 1xjm h ALA 154 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xjm h ALA 154 Cb 0.03 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1xjm h ALA 154 CO -0.07 -0.57 0.41 -0.07 0.00 0.00 0.00 179.25 178.95 1xjm h LEU 155 N -0.15 0.71 -0.34 0.00 3.38 -0.90 -0.46 115.31 117.55 1xjm h LEU 155 Ca 0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1xjm h LEU 155 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xjm h LEU 155 CO -0.13 0.51 -0.07 0.40 0.09 0.00 0.00 178.44 179.24 1xjm h ILE 156 N 0.84 1.28 -0.98 1.22 2.04 -1.14 -2.90 117.51 117.87 1xjm h ILE 156 Ca 0.23 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1xjm h ILE 156 Cb -0.08 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 1xjm h ILE 156 CO -0.06 0.37 0.63 0.74 0.00 0.00 0.00 178.15 179.83 1xjm h THR 157 N 0.44 1.26 -0.11 -0.27 2.02 -1.03 -0.85 112.91 114.37 1xjm h THR 157 Ca 0.09 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.81 1xjm h THR 157 Cb 0.57 -0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 1xjm h THR 157 CO 0.03 0.26 -0.20 0.50 0.37 0.00 0.00 175.52 176.48 1xjm h LYS 158 N 1.34 -0.26 0.00 6.66 3.64 -0.88 -2.10 116.57 124.97 1xjm h LYS 158 Ca 0.36 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1xjm h LYS 158 Cb -0.12 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1xjm h LYS 158 CO -0.07 -0.17 0.00 1.33 -2.27 0.00 0.00 179.45 178.27 1xjm n VAL 159 N -5.34 0.04 0.00 2.00 0.24 -1.13 -4.88 118.33 109.26 1xjm n VAL 159 Ca -0.03 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1xjm n VAL 159 Cb 0.25 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 1xjm n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjm n GLY 160 N 0.74 1.06 3.91 7.63 0.00 -0.79 -4.69 105.19 113.05 1xjm n GLY 160 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1xjm n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xjm s GLY 161 N -2.00 1.51 -0.14 -0.02 0.00 -0.35 -4.84 107.32 101.48 1xjm s GLY 161 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 1xjm s GLY 161 CO 0.00 -0.34 -0.07 -0.32 0.00 0.00 0.00 173.10 172.37 1xjm s GLY 162 N -4.13 1.66 0.06 0.20 0.00 0.13 -4.22 107.32 101.01 1xjm s GLY 162 Ca 0.48 -0.84 0.10 0.00 0.00 0.00 0.00 44.72 44.46 1xjm s GLY 162 CO 0.45 -0.12 -0.26 0.54 0.00 0.00 0.00 173.10 173.70 1xjm s VAL 163 N 0.33 2.15 0.14 1.40 0.11 -1.26 -1.26 120.40 122.01 1xjm s VAL 163 Ca -0.06 -1.47 0.06 0.00 -2.93 0.00 0.00 61.98 57.59 1xjm s VAL 163 Cb -0.15 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 1xjm s VAL 163 CO 0.04 0.30 -0.15 -0.83 -3.33 0.00 0.00 175.10 171.14 1xjm s GLY 164 N -1.41 1.17 0.03 6.54 0.00 -0.31 -1.89 107.32 111.44 1xjm s GLY 164 Ca 0.12 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.48 1xjm s GLY 164 CO 0.03 -1.44 -0.06 -0.56 0.00 0.00 0.00 173.10 171.07 1xjm s SER 165 N -2.62 0.64 -0.11 1.64 0.01 -0.11 -2.33 113.70 110.81 1xjm s SER 165 Ca 0.12 -0.53 -0.24 0.00 1.31 0.00 0.00 55.95 56.61 1xjm s SER 165 Cb -0.04 0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.22 1xjm s SER 165 CO 0.04 -0.24 0.76 0.21 0.41 0.00 0.00 173.24 174.42 1xjm s ASN 166 N -1.53 6.97 -0.09 2.44 3.84 -1.26 -0.86 114.94 124.45 1xjm s ASN 166 Ca -0.12 1.17 0.18 0.00 0.21 0.00 0.00 52.86 54.31 1xjm s ASN 166 Cb -0.10 -2.43 0.67 0.00 -0.55 0.00 0.00 41.25 38.84 1xjm s ASN 166 CO -0.00 -0.25 1.58 0.49 -2.79 0.00 0.00 177.10 176.13 1xjm n PHE 167 N 4.46 1.30 0.43 0.43 3.01 0.04 -4.37 117.46 122.76 1xjm n PHE 167 Ca 0.01 -0.60 0.12 0.00 1.01 0.00 0.00 57.45 58.00 1xjm n PHE 167 Cb 0.50 -0.19 0.48 0.00 -0.01 0.00 0.00 39.48 40.26 1xjm n PHE 167 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1xjm h SER 168 N 3.84 0.00 0.41 4.37 0.02 -1.89 -2.47 113.55 117.83 1xjm h SER 168 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1xjm h SER 168 Cb 1.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1xjm h SER 168 CO 0.18 0.00 -0.31 -0.33 -1.14 0.00 0.00 176.83 175.22 1xjm h GLU 169 N 0.00 0.00 -6.37 3.45 4.39 -1.80 -3.44 114.58 110.81 1xjm h GLU 169 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 1xjm h GLU 169 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1xjm h GLU 169 CO 0.00 0.31 0.91 -0.51 -1.16 0.00 0.00 179.01 178.57 1xjm s LEU 170 N -7.96 4.33 0.43 1.33 1.43 -0.93 -4.39 118.68 112.91 1xjm s LEU 170 Ca -0.03 2.22 -0.25 0.00 -1.03 0.00 0.00 54.13 55.04 1xjm s LEU 170 Cb 0.14 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.72 1xjm s LEU 170 CO 0.70 -0.79 1.33 0.00 0.23 0.00 0.00 176.35 177.82 1xjm s ARG 171 N 2.71 3.84 0.89 1.70 1.70 -1.26 -4.51 118.95 124.02 1xjm s ARG 171 Ca 0.68 2.22 -0.13 0.00 -0.47 0.00 0.00 55.73 58.02 1xjm s ARG 171 Cb -0.34 -2.69 0.05 0.00 -0.57 0.00 0.00 34.95 31.41 1xjm s ARG 171 CO 0.28 -0.62 0.67 -0.35 -1.08 0.00 0.00 175.30 174.20 1xjm n PRO 172 N -0.05 -0.16 -1.65 3.89 -0.04 -1.26 -3.95 135.00 131.77 1xjm n PRO 172 Ca 0.05 0.01 -0.44 0.00 -0.04 0.00 0.00 63.50 63.07 1xjm n PRO 172 Cb 0.43 -2.03 -0.02 0.00 -0.04 0.00 0.00 33.50 31.85 1xjm n PRO 172 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1xjm n LYS 173 N -2.22 1.84 -0.72 0.54 4.81 -1.26 -2.23 118.16 118.91 1xjm n LYS 173 Ca 0.09 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1xjm n LYS 173 Cb 0.52 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1xjm n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xjm n GLY 174 N 1.41 1.07 3.88 3.14 0.00 0.58 -4.93 105.19 110.34 1xjm n GLY 174 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1xjm n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xjm s SER 175 N -3.07 5.87 -0.07 1.61 1.04 -0.95 -4.58 113.70 113.55 1xjm s SER 175 Ca 0.00 1.18 -0.30 0.00 0.48 0.00 0.00 55.95 57.31 1xjm s SER 175 Cb 0.00 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 1xjm s SER 175 CO 0.00 -1.03 1.44 0.12 0.98 0.00 0.00 173.24 174.75 1xjm s PHE 176 N -3.18 2.55 -0.26 5.02 5.36 -1.26 -0.53 117.98 125.69 1xjm s PHE 176 Ca 0.55 0.67 -0.10 0.00 -0.96 0.00 0.00 56.93 57.10 1xjm s PHE 176 Cb -0.11 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 38.83 1xjm s PHE 176 CO 0.51 -2.67 0.14 0.08 -1.46 0.00 0.00 175.22 171.82 1xjm s VAL 177 N 3.31 4.96 0.07 3.12 1.01 -1.13 -4.86 120.40 126.88 1xjm s VAL 177 Ca 0.64 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.46 1xjm s VAL 177 Cb -0.29 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 1xjm s VAL 177 CO 0.24 0.30 1.56 0.00 0.00 0.00 0.00 175.10 177.20 1xjm h ALA 178 N 8.15 0.21 -0.01 5.51 0.00 -1.95 -2.97 119.26 128.21 1xjm h ALA 178 Ca -0.36 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xjm h ALA 178 Cb 1.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xjm h ALA 178 CO 0.58 -0.15 0.02 0.78 0.00 0.00 0.00 179.25 180.48 1xjm h GLY 179 N 0.07 0.00 -0.03 0.00 0.00 -1.97 -3.17 103.07 97.97 1xjm h GLY 179 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1xjm h GLY 179 CO 0.00 0.00 -0.06 2.41 0.00 0.00 0.00 176.54 178.89 1xjm n THR 180 N -3.39 0.00 -2.80 4.70 -1.04 -1.19 -4.94 114.28 105.61 1xjm n THR 180 Ca -0.03 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.05 61.44 1xjm n THR 180 Cb 0.09 1.01 -0.01 0.00 -1.82 0.00 0.00 70.33 69.60 1xjm n THR 180 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1xjm n HIS 181 N -0.83 -1.78 -2.72 -1.42 -0.00 -1.13 -4.88 115.22 102.46 1xjm n HIS 181 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1xjm n HIS 181 Cb 0.03 -1.12 0.00 0.00 -0.00 0.00 0.00 29.99 28.90 1xjm n HIS 181 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xjm n GLY 182 N -0.59 6.67 3.04 -1.41 0.00 -1.23 -5.01 105.19 106.67 1xjm n GLY 182 Ca 0.02 -2.00 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 1xjm n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjm s LYS 183 N 1.43 1.06 0.30 1.61 1.02 -1.26 -2.83 119.74 121.07 1xjm s LYS 183 Ca 0.00 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.32 1xjm s LYS 183 Cb 0.00 -0.99 -0.10 0.00 -0.52 0.00 0.00 37.83 36.22 1xjm s LYS 183 CO 0.00 0.17 1.34 0.00 -0.92 0.00 0.00 175.35 175.94 1xjm s ALA 184 N 0.03 3.53 0.37 5.17 0.00 0.31 -4.77 121.76 126.40 1xjm s ALA 184 Ca -0.01 1.26 0.06 0.00 0.00 0.00 0.00 51.96 53.28 1xjm s ALA 184 Cb -0.08 -3.50 0.72 0.00 0.00 0.00 0.00 23.12 20.27 1xjm s ALA 184 CO 0.00 -0.66 1.95 0.77 0.00 0.00 0.00 175.76 177.83 1xjm h SER 185 N 3.90 0.46 -4.35 0.00 0.02 -1.89 0.17 113.55 111.86 1xjm h SER 185 Ca -0.48 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1xjm h SER 185 Cb 1.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1xjm h SER 185 CO 0.69 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 1xjm n GLY 186 N -1.11 -0.85 0.32 -3.77 0.00 -1.25 -4.28 105.19 94.24 1xjm n GLY 186 Ca 0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 1xjm n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjm h PRO 187 N 0.00 1.08 -0.47 1.61 0.13 -1.79 -2.90 132.00 129.66 1xjm h PRO 187 Ca 0.00 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1xjm h PRO 187 Cb 0.00 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 30.87 1xjm h PRO 187 CO 0.00 0.71 0.07 0.28 -0.23 0.00 0.00 178.00 178.83 1xjm h VAL 188 N 1.11 1.25 -0.09 1.56 2.07 -1.96 1.00 116.25 121.18 1xjm h VAL 188 Ca 0.30 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 1xjm h VAL 188 Cb -0.12 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1xjm h VAL 188 CO -0.07 0.32 -0.18 -1.28 0.02 0.00 0.00 177.57 176.38 1xjm h SER 189 N 0.65 0.14 0.86 0.57 0.87 -1.78 -2.70 113.55 112.17 1xjm h SER 189 Ca 0.14 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.50 1xjm h SER 189 Cb 0.40 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1xjm h SER 189 CO 0.01 0.34 -0.80 -0.26 -0.53 0.00 0.00 176.83 175.59 1xjm h PHE 190 N 0.14 0.00 0.00 2.24 0.04 -1.10 -3.24 116.94 115.02 1xjm h PHE 190 Ca 0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1xjm h PHE 190 Cb 0.41 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 1xjm h PHE 190 CO 0.00 0.80 -0.05 0.52 -0.60 0.00 0.00 178.31 178.98 1xjm h MET 191 N 0.00 0.00 -0.22 1.51 2.86 -0.51 -2.22 114.93 116.34 1xjm h MET 191 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1xjm h MET 191 Cb 1.45 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.10 1xjm h MET 191 CO 0.10 0.05 0.02 0.45 1.06 0.00 0.00 176.91 178.59 1xjm h HIS 192 N 0.00 0.33 0.02 -0.22 3.86 -1.56 0.39 115.15 117.97 1xjm h HIS 192 Ca -0.00 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1xjm h HIS 192 Cb 0.10 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xjm h HIS 192 CO 0.00 0.33 -0.01 0.28 0.86 0.00 0.00 177.93 179.39 1xjm h VAL 193 N 0.32 1.28 -0.91 2.45 2.07 -1.55 0.52 116.25 120.43 1xjm h VAL 193 Ca 0.08 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.79 1xjm h VAL 193 Cb 0.19 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1xjm h VAL 193 CO 0.00 0.23 0.55 -0.26 0.02 0.00 0.00 177.57 178.12 1xjm h PHE 194 N -0.41 1.01 0.06 1.57 0.04 -1.44 0.69 116.94 118.46 1xjm h PHE 194 Ca -0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1xjm h PHE 194 Cb 0.40 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1xjm h PHE 194 CO 0.06 0.44 -0.03 -0.97 -0.60 0.00 0.00 178.31 177.21 1xjm h ASN 195 N 0.93 -0.07 -0.83 2.17 -1.24 -0.78 -2.66 115.58 113.10 1xjm h ASN 195 Ca 0.43 -0.04 0.10 0.00 0.71 0.00 0.00 56.30 57.49 1xjm h ASN 195 Cb 0.34 0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.34 1xjm h ASN 195 CO -0.23 -0.01 0.47 0.28 -1.29 0.00 0.00 177.43 176.66 1xjm h SER 196 N -0.13 0.67 0.27 1.15 0.02 -0.76 -0.94 113.55 113.83 1xjm h SER 196 Ca -0.01 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1xjm h SER 196 Cb 0.11 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1xjm h SER 196 CO 0.01 0.38 -0.28 0.00 -1.14 0.00 0.00 176.83 175.80 1xjm h ALA 197 N 1.46 -0.58 -0.33 3.77 0.00 -0.86 -3.20 119.26 119.53 1xjm h ALA 197 Ca 0.40 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 1xjm h ALA 197 Cb 0.38 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1xjm h ALA 197 CO -0.25 -0.86 -0.34 0.82 0.00 0.00 0.00 179.25 178.61 1xjm h ILE 198 N -0.59 1.28 0.00 0.00 1.08 -1.35 -2.54 117.51 115.40 1xjm h ILE 198 Ca -0.01 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 1xjm h ILE 198 Cb 0.54 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 1xjm h ILE 198 CO -0.07 0.49 0.00 -1.54 -0.69 0.00 0.00 178.15 176.34 1xjm n SER 199 N -4.06 0.00 -0.03 1.72 3.41 -0.37 -0.91 113.62 113.38 1xjm n SER 199 Ca -0.01 0.37 0.03 0.00 -0.26 0.00 0.00 58.87 58.99 1xjm n SER 199 Cb 0.50 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 1xjm n SER 199 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xjm n VAL 200 N -1.42 0.37 1.62 -3.33 0.31 -1.04 -4.01 118.33 110.82 1xjm n VAL 200 Ca 0.03 -0.47 0.03 0.00 -0.01 0.00 0.00 64.34 63.92 1xjm n VAL 200 Cb 0.09 -0.13 0.10 0.00 -0.91 0.00 0.00 33.84 33.00 1xjm n VAL 200 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1xjm n VAL 201 N -2.25 0.16 -2.99 2.52 0.31 -0.09 -3.87 118.33 112.12 1xjm n VAL 201 Ca -0.11 -0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 63.92 1xjm n VAL 201 Cb 0.63 0.07 0.02 0.00 -0.91 0.00 0.00 33.84 33.65 1xjm n VAL 201 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1xjm n LYS 202 N -0.17 0.98 0.00 5.55 5.02 -0.91 -4.90 118.16 123.72 1xjm n LYS 202 Ca 0.05 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 1xjm n LYS 202 Cb 0.11 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1xjm n LYS 202 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xjm n GLN 203 N 0.37 0.00 -4.10 1.97 0.00 -1.25 -4.85 117.38 109.52 1xjm n GLN 203 Ca 0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.86 1xjm n GLN 203 Cb 0.67 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.84 1xjm n GLN 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xjm s ALA 210 N 0.00 3.41 0.26 1.69 0.00 -1.26 -4.94 121.76 120.92 1xjm s ALA 210 Ca 0.00 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 50.98 1xjm s ALA 210 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 1xjm s ALA 210 CO 0.00 0.72 -0.12 -0.51 0.00 0.00 0.00 175.76 175.85 1xjm s LEU 211 N -2.31 2.56 -0.14 0.00 1.43 -0.14 -4.47 118.68 115.61 1xjm s LEU 211 Ca 0.27 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1xjm s LEU 211 Cb -0.12 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 1xjm s LEU 211 CO 0.20 -0.19 -0.15 -0.32 0.23 0.00 0.00 176.35 176.11 1xjm s MET 212 N -3.64 3.29 -0.14 1.70 -2.45 -0.79 -0.42 119.30 116.84 1xjm s MET 212 Ca 0.28 -0.73 0.01 0.00 -1.25 0.00 0.00 55.69 54.00 1xjm s MET 212 Cb 0.00 -2.60 0.02 0.00 1.25 0.00 0.00 34.83 33.50 1xjm s MET 212 CO 0.11 0.13 -0.16 0.20 1.05 0.00 0.00 175.02 176.36 1xjm s GLY 213 N 0.54 1.15 -0.08 2.11 0.00 -0.60 -0.93 107.32 109.49 1xjm s GLY 213 Ca -0.10 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1xjm s GLY 213 CO 0.04 0.38 -0.10 -0.42 0.00 0.00 0.00 173.10 173.00 1xjm s ILE 214 N 1.29 3.39 -0.02 0.90 1.01 -0.04 -1.74 121.20 126.00 1xjm s ILE 214 Ca 0.01 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.14 1xjm s ILE 214 Cb -0.14 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1xjm s ILE 214 CO -0.08 0.57 -0.18 -0.22 0.00 0.00 0.00 174.94 175.03 1xjm s LEU 215 N -0.41 2.01 0.49 2.97 2.96 -1.13 -0.78 118.68 124.78 1xjm s LEU 215 Ca 0.05 -0.34 -0.20 0.00 -0.22 0.00 0.00 54.13 53.42 1xjm s LEU 215 Cb -0.12 -0.96 -0.08 0.00 0.50 0.00 0.00 46.19 45.52 1xjm s LEU 215 CO 0.02 0.21 1.03 0.20 -1.32 0.00 0.00 176.35 176.49 1xjm s ASN 216 N -0.32 6.36 0.59 3.68 0.01 -1.26 -0.21 114.94 123.79 1xjm s ASN 216 Ca 0.04 1.90 0.30 0.00 -0.71 0.00 0.00 52.86 54.40 1xjm s ASN 216 Cb -0.08 -2.56 1.83 0.00 0.41 0.00 0.00 41.25 40.85 1xjm s ASN 216 CO -0.00 -0.77 2.25 -0.29 -1.51 0.00 0.00 177.10 176.78 1xjm h ILE 217 N 1.51 0.50 -0.63 0.60 6.09 -1.17 -2.28 117.51 122.13 1xjm h ILE 217 Ca -0.49 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 1xjm h ILE 217 Cb 1.22 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.54 1xjm h ILE 217 CO 0.59 0.01 0.00 -0.46 -3.07 0.00 0.00 178.15 175.22 1xjm n ASN 218 N -3.78 3.64 -4.73 2.19 0.23 -1.26 -4.87 115.26 106.69 1xjm n ASN 218 Ca -0.03 -2.09 -0.41 0.00 -0.53 0.00 0.00 54.58 51.52 1xjm n ASN 218 Cb 0.10 -0.46 -0.04 0.00 -2.08 0.00 0.00 39.78 37.30 1xjm n ASN 218 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1xjm s HIS 219 N -1.30 3.68 0.62 -2.53 2.46 -0.86 -1.00 115.29 116.37 1xjm s HIS 219 Ca 0.44 1.66 0.31 0.00 0.47 0.00 0.00 55.06 57.94 1xjm s HIS 219 Cb 0.24 -3.18 1.68 0.00 -0.13 0.00 0.00 32.58 31.19 1xjm s HIS 219 CO 0.28 -0.27 2.01 -1.35 -2.47 0.00 0.00 174.74 172.94 1xjm h PRO 220 N 5.62 0.00 -0.42 2.88 0.11 -1.84 -1.90 132.00 136.44 1xjm h PRO 220 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1xjm h PRO 220 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjm h PRO 220 CO 0.73 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.27 1xjm n ASP 221 N -3.38 2.67 -0.36 -2.05 8.00 -1.26 -4.56 116.55 115.61 1xjm n ASP 221 Ca 0.01 -1.94 0.10 0.00 0.71 0.00 0.00 54.79 53.68 1xjm n ASP 221 Cb 0.40 -0.28 0.28 0.00 -0.02 0.00 0.00 41.12 41.51 1xjm n ASP 221 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xjm h ILE 222 N 3.13 0.81 -0.55 0.53 6.09 -1.64 -0.73 117.51 125.16 1xjm h ILE 222 Ca 0.00 -0.30 -0.10 0.00 -1.37 0.00 0.00 64.86 63.08 1xjm h ILE 222 Cb 0.70 -0.15 -0.02 0.00 0.47 0.00 0.00 36.82 37.83 1xjm h ILE 222 CO 0.00 0.16 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.84 1xjm h GLU 223 N 0.88 1.00 -0.34 2.19 5.08 -1.84 0.07 114.58 121.63 1xjm h GLU 223 Ca 0.54 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1xjm h GLU 223 Cb 0.69 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1xjm h GLU 223 CO -0.32 1.02 0.15 1.49 -1.00 0.00 0.00 179.01 180.35 1xjm h GLU 224 N 0.90 0.49 -0.44 2.33 4.81 -1.61 -2.76 114.58 118.31 1xjm h GLU 224 Ca 0.15 -0.08 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1xjm h GLU 224 Cb 0.61 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 1xjm h GLU 224 CO 0.04 0.47 0.12 0.35 -0.73 0.00 0.00 179.01 179.26 1xjm h PHE 225 N 0.40 0.20 -1.00 0.92 3.57 -0.83 -1.24 116.94 118.97 1xjm h PHE 225 Ca 0.11 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1xjm h PHE 225 Cb 0.15 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 1xjm h PHE 225 CO -0.01 0.04 0.65 0.82 -2.23 0.00 0.00 178.31 177.58 1xjm h ILE 226 N 0.26 1.11 -0.01 1.41 2.04 -0.85 -2.03 117.51 119.45 1xjm h ILE 226 Ca 0.21 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1xjm h ILE 226 Cb 0.25 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1xjm h ILE 226 CO -0.25 0.22 -0.09 0.47 0.00 0.00 0.00 178.15 178.50 1xjm n ASP 227 N -4.48 1.22 0.10 1.72 8.00 -1.02 -4.48 116.55 117.61 1xjm n ASP 227 Ca 0.15 -1.23 0.05 0.00 0.71 0.00 0.00 54.79 54.47 1xjm n ASP 227 Cb 0.16 0.04 0.49 0.00 -0.02 0.00 0.00 41.12 41.78 1xjm n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xjm h ALA 228 N 4.08 1.77 -0.69 2.24 0.00 -0.46 -1.97 119.26 124.24 1xjm h ALA 228 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xjm h ALA 228 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xjm h ALA 228 CO 0.00 0.20 0.00 1.63 0.00 0.00 0.00 179.25 181.08 1xjm n LYS 229 N -4.47 2.73 -2.75 0.00 5.02 -1.26 -4.73 118.16 112.70 1xjm n LYS 229 Ca 0.01 -2.60 -0.35 0.00 -2.02 0.00 0.00 58.31 53.35 1xjm n LYS 229 Cb 0.10 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.50 1xjm n LYS 229 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1xjm s LYS 230 N -1.03 4.32 -1.43 1.97 -2.85 -0.74 -4.84 119.74 115.14 1xjm s LYS 230 Ca 0.47 1.27 -0.03 0.00 -1.00 0.00 0.00 55.97 56.68 1xjm s LYS 230 Cb 0.24 -2.45 0.01 0.00 -2.06 0.00 0.00 37.83 33.57 1xjm s LYS 230 CO 0.32 0.04 0.24 -0.85 0.10 0.00 0.00 175.35 175.20 1xjm n GLU 231 N -0.14 -2.96 -2.73 1.78 0.28 -1.26 -5.02 120.64 110.59 1xjm n GLU 231 Ca 0.05 0.78 -0.06 0.00 -0.16 0.00 0.00 57.16 57.77 1xjm n GLU 231 Cb 0.52 -5.49 0.04 0.00 1.43 0.00 0.00 31.44 27.95 1xjm n GLU 231 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xjm n ALA 236 N -2.72 -2.00 0.00 -1.84 0.00 -1.26 -5.19 120.51 107.50 1xjm n ALA 236 Ca -0.15 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1xjm n ALA 236 Cb 0.63 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1xjm n ALA 236 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xjm n VAL 237 N 1.96 0.00 -2.39 0.00 0.24 -1.26 -3.46 118.33 113.41 1xjm n VAL 237 Ca 0.10 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.11 1xjm n VAL 237 Cb 0.63 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.00 1xjm n VAL 237 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xjm n LEU 238 N 0.00 5.07 0.21 1.34 4.77 -1.26 -4.77 117.00 122.36 1xjm n LEU 238 Ca 0.00 -5.15 0.08 0.00 -0.03 0.00 0.00 56.01 50.91 1xjm n LEU 238 Cb 0.00 -0.53 0.43 0.00 -2.33 0.00 0.00 43.42 40.99 1xjm n LEU 238 CO 0.00 2.17 0.77 -0.55 -1.33 0.00 0.00 177.39 178.45 1xjm h ASN 239 N 2.62 0.00 0.39 -1.43 7.08 -1.95 -2.48 115.58 119.80 1xjm h ASN 239 Ca 0.34 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.56 1xjm h ASN 239 Cb 0.83 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.07 1xjm h ASN 239 CO 0.92 0.28 -0.24 0.49 -2.08 0.00 0.00 177.43 176.80 1xjm n PHE 240 N -3.50 0.00 -3.42 4.14 3.01 -1.26 -4.88 117.46 111.55 1xjm n PHE 240 Ca -0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.08 1xjm n PHE 240 Cb 0.44 -0.20 -0.06 0.00 -0.01 0.00 0.00 39.48 39.65 1xjm n PHE 240 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1xjm s PHE 241 N -2.64 3.55 0.26 1.38 0.40 -0.93 -0.97 117.98 119.03 1xjm s PHE 241 Ca 0.22 0.84 -0.18 0.00 -0.60 0.00 0.00 56.93 57.20 1xjm s PHE 241 Cb 0.19 -2.43 -0.09 0.00 0.51 0.00 0.00 43.02 41.21 1xjm s PHE 241 CO 0.54 0.30 0.74 -0.80 0.70 0.00 0.00 175.22 176.71 1xjm s ASN 242 N 0.16 6.97 -0.10 1.36 0.01 0.44 -4.89 114.94 118.90 1xjm s ASN 242 Ca 0.23 1.39 0.01 0.00 -0.71 0.00 0.00 52.86 53.79 1xjm s ASN 242 Cb -0.15 -2.41 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1xjm s ASN 242 CO 0.09 -0.06 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.75 1xjm s LEU 243 N -2.32 1.55 0.03 0.60 1.02 -1.26 -1.56 118.68 116.73 1xjm s LEU 243 Ca 0.47 -0.35 0.07 0.00 0.02 0.00 0.00 54.13 54.34 1xjm s LEU 243 Cb -0.14 -0.94 -0.02 0.00 0.02 0.00 0.00 46.19 45.10 1xjm s LEU 243 CO 0.20 -0.02 -0.21 -0.44 0.02 0.00 0.00 176.35 175.90 1xjm s SER 244 N 1.10 2.49 0.01 2.29 0.01 -0.71 -0.49 113.70 118.39 1xjm s SER 244 Ca -0.05 -0.49 -0.27 0.00 1.31 0.00 0.00 55.95 56.45 1xjm s SER 244 Cb -0.14 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 1xjm s SER 244 CO -0.02 0.19 0.85 -0.69 0.41 0.00 0.00 173.24 173.98 1xjm s VAL 245 N -0.72 4.84 -0.10 3.43 1.01 0.12 -2.84 120.40 126.13 1xjm s VAL 245 Ca 0.08 1.79 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 1xjm s VAL 245 Cb -0.09 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 1xjm s VAL 245 CO 0.01 0.25 0.37 -0.83 0.00 0.00 0.00 175.10 174.90 1xjm s GLY 246 N 0.57 2.33 -0.59 4.51 0.00 0.71 -0.17 107.32 114.68 1xjm s GLY 246 Ca 0.44 -0.32 0.04 0.00 0.00 0.00 0.00 44.72 44.87 1xjm s GLY 246 CO 0.24 0.41 0.36 -1.36 0.00 0.00 0.00 173.10 172.75 1xjm s PHE 247 N 0.02 3.33 -0.43 1.90 0.08 0.22 -0.54 117.98 122.56 1xjm s PHE 247 Ca 0.21 -3.19 0.26 0.00 0.12 0.00 0.00 56.93 54.33 1xjm s PHE 247 Cb -0.15 -2.83 0.77 0.00 -0.57 0.00 0.00 43.02 40.25 1xjm s PHE 247 CO 0.08 -0.69 1.75 -1.00 -0.10 0.00 0.00 175.22 175.26 1xjm h PRO 248 N 6.20 0.00 -7.70 0.24 0.13 -1.91 -0.54 132.00 128.41 1xjm h PRO 248 Ca -0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1xjm h PRO 248 Cb 0.85 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.12 1xjm h PRO 248 CO 0.70 0.00 0.40 0.00 -0.23 0.00 0.00 178.00 178.88 1xjm s MET 249 N -3.28 1.24 0.39 0.86 0.23 -1.26 -3.37 119.30 114.11 1xjm s MET 249 Ca 0.07 -0.23 -0.27 0.00 -1.03 0.00 0.00 55.69 54.23 1xjm s MET 249 Cb 0.09 -1.92 -0.10 0.00 -1.53 0.00 0.00 34.83 31.37 1xjm s MET 249 CO 0.58 -2.02 1.39 0.34 -2.03 0.00 0.00 175.02 173.28 1xjm s ASP 250 N -4.75 6.29 0.38 -1.18 -1.08 -1.26 -4.01 116.67 111.05 1xjm s ASP 250 Ca 0.69 2.86 0.05 0.00 -0.52 0.00 0.00 52.55 55.63 1xjm s ASP 250 Cb -0.07 -2.65 0.74 0.00 -1.46 0.00 0.00 42.92 39.48 1xjm s ASP 250 CO 0.51 -0.89 1.99 0.11 0.52 0.00 0.00 175.17 177.41 1xjm h LYS 251 N 2.81 0.58 -0.65 4.34 1.57 -1.93 -2.67 116.57 120.63 1xjm h LYS 251 Ca -0.50 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.24 1xjm h LYS 251 Cb 1.25 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.40 1xjm h LYS 251 CO 0.63 0.45 0.41 0.87 -0.57 0.00 0.00 179.45 181.24 1xjm h LYS 252 N 0.58 0.80 -0.63 3.15 1.57 -1.92 -1.31 116.57 118.82 1xjm h LYS 252 Ca 0.15 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1xjm h LYS 252 Cb 0.06 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1xjm h LYS 252 CO -0.02 0.53 0.16 0.93 -0.57 0.00 0.00 179.45 180.47 1xjm h GLU 253 N 0.82 1.00 -0.34 3.15 5.08 -1.86 0.37 114.58 122.80 1xjm h GLU 253 Ca 0.25 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1xjm h GLU 253 Cb -0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1xjm h GLU 253 CO -0.09 0.90 0.00 0.82 -1.00 0.00 0.00 179.01 179.65 1xjm h ILE 254 N 0.92 1.26 -0.56 3.13 1.08 -1.34 -0.73 117.51 121.26 1xjm h ILE 254 Ca 0.20 -0.96 -0.09 0.00 -0.39 0.00 0.00 64.86 63.61 1xjm h ILE 254 Cb 0.35 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1xjm h ILE 254 CO 0.00 0.32 -0.00 0.25 -0.69 0.00 0.00 178.15 178.03 1xjm h LEU 255 N 0.40 0.98 -0.12 1.44 5.85 -1.08 -1.39 115.31 121.39 1xjm h LEU 255 Ca 0.10 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1xjm h LEU 255 Cb 0.45 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1xjm h LEU 255 CO 0.02 1.04 0.00 0.50 -0.34 0.00 0.00 178.44 179.67 1xjm h LYS 256 N 0.88 0.04 -0.71 1.25 3.64 -0.83 -1.40 116.57 119.44 1xjm h LYS 256 Ca 0.16 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1xjm h LYS 256 Cb 0.54 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1xjm h LYS 256 CO 0.03 0.03 0.44 1.25 -2.27 0.00 0.00 179.45 178.93 1xjm h LEU 257 N 0.05 0.70 -0.12 5.20 6.46 -0.94 -1.66 115.31 124.99 1xjm h LEU 257 Ca 0.05 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1xjm h LEU 257 Cb 0.06 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1xjm h LEU 257 CO -0.09 0.47 0.05 0.22 -0.62 0.00 0.00 178.44 178.48 1xjm h TYR 258 N 0.84 0.09 -0.60 1.25 5.03 -1.12 0.36 116.97 122.82 1xjm h TYR 258 Ca 0.30 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 1xjm h TYR 258 Cb 0.07 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.30 1xjm h TYR 258 CO -0.05 0.05 0.33 0.93 -1.32 0.00 0.00 178.16 178.10 1xjm h GLU 259 N 0.11 0.82 -0.09 1.82 5.08 -0.70 -1.46 114.58 120.16 1xjm h GLU 259 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xjm h GLU 259 Cb 0.02 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1xjm h GLU 259 CO -0.04 0.60 0.00 0.39 -1.00 0.00 0.00 179.01 178.96 1xjm n GLU 260 N -4.39 1.26 -4.16 2.33 1.02 -0.68 -4.89 120.64 111.13 1xjm n GLU 260 Ca 0.06 -0.40 -0.33 0.00 -0.02 0.00 0.00 57.16 56.47 1xjm n GLU 260 Cb 0.10 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1xjm n GLU 260 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xjm n ASP 261 N -0.29 -2.04 -4.24 1.62 4.64 -0.55 -4.94 116.55 110.76 1xjm n ASP 261 Ca 0.09 -1.03 -0.29 0.00 -1.38 0.00 0.00 54.79 52.17 1xjm n ASP 261 Cb 0.13 -2.74 0.19 0.00 -1.04 0.00 0.00 41.12 37.66 1xjm n ASP 261 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1xjm s GLY 262 N -3.71 1.62 0.13 0.27 0.00 0.12 -4.91 107.32 100.84 1xjm s GLY 262 Ca 0.46 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 44.44 1xjm s GLY 262 CO 0.92 -0.08 -0.10 -0.54 0.00 0.00 0.00 173.10 173.31 1xjm s GLU 263 N -5.42 2.11 -0.09 2.90 2.02 -1.26 -1.95 118.70 117.02 1xjm s GLU 263 Ca 0.69 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 54.60 1xjm s GLU 263 Cb -0.11 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 1xjm s GLU 263 CO 0.55 0.48 -0.12 -1.17 0.02 0.00 0.00 175.26 175.02 1xjm s LEU 264 N -2.41 2.82 -0.29 1.80 2.96 0.25 -4.84 118.68 118.97 1xjm s LEU 264 Ca 0.22 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 1xjm s LEU 264 Cb -0.10 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1xjm s LEU 264 CO 0.14 0.27 0.52 -0.70 -1.32 0.00 0.00 176.35 175.26 1xjm s GLU 265 N -0.29 3.95 -0.21 1.98 2.12 -1.26 -1.40 118.70 123.59 1xjm s GLU 265 Ca 0.03 0.19 -0.25 0.00 0.36 0.00 0.00 54.97 55.30 1xjm s GLU 265 Cb -0.13 -3.70 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 1xjm s GLU 265 CO 0.03 -0.44 0.82 -0.51 -0.54 0.00 0.00 175.26 174.61 1xjm s LEU 266 N 2.35 4.13 0.19 2.70 1.43 0.11 -4.84 118.68 124.74 1xjm s LEU 266 Ca 0.21 1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.22 1xjm s LEU 266 Cb -0.15 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 42.91 1xjm s LEU 266 CO 0.10 -0.45 0.52 -0.94 0.23 0.00 0.00 176.35 175.81 1xjm s SER 267 N 1.25 -0.27 -0.02 2.29 1.04 -0.17 -1.62 113.70 116.19 1xjm s SER 267 Ca 0.36 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.32 1xjm s SER 267 Cb -0.16 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1xjm s SER 267 CO 0.10 -1.04 0.06 -2.28 0.98 0.00 0.00 173.24 171.06 1xjm s HIS 268 N -3.86 -0.06 0.32 5.02 2.46 -1.26 -4.40 115.29 113.51 1xjm s HIS 268 Ca 0.08 0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.79 1xjm s HIS 268 Cb -0.01 0.00 0.58 0.00 -0.13 0.00 0.00 32.58 33.02 1xjm s HIS 268 CO -0.04 -0.04 1.93 -1.00 -2.47 0.00 0.00 174.74 173.13 1xjm h PRO 269 N 6.16 0.93 -1.01 2.88 0.13 -1.96 -2.63 132.00 136.50 1xjm h PRO 269 Ca -0.26 -0.06 -0.55 0.00 -0.87 0.00 0.00 66.00 64.26 1xjm h PRO 269 Cb 1.20 -0.21 -0.30 0.00 0.13 0.00 0.00 31.00 31.82 1xjm h PRO 269 CO 0.47 0.62 0.71 0.54 -0.23 0.00 0.00 178.00 180.11 1xjm n ARG 270 N -4.47 2.35 -3.85 0.86 1.74 -1.26 -4.92 116.66 107.11 1xjm n ARG 270 Ca 0.12 -3.02 -0.10 0.00 -0.77 0.00 0.00 57.85 54.08 1xjm n ARG 270 Cb 0.18 -2.18 -0.08 0.00 -1.02 0.00 0.00 32.46 29.36 1xjm n ARG 270 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xjm s SER 271 N -1.39 0.06 0.00 0.55 0.15 -0.99 -4.72 113.70 107.36 1xjm s SER 271 Ca 0.58 -0.48 0.19 0.00 0.70 0.00 0.00 55.95 56.93 1xjm s SER 271 Cb 0.48 0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 65.08 1xjm s SER 271 CO 0.07 -0.64 0.93 0.35 1.20 0.00 0.00 173.24 175.16 1xjm n THR 272 N 0.35 0.00 -1.84 6.45 -2.24 -1.26 -4.62 114.28 111.12 1xjm n THR 272 Ca -0.17 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 60.89 1xjm n THR 272 Cb 0.60 1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 70.01 1xjm n THR 272 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xjm s ILE 273 N -2.17 3.28 0.01 2.28 1.01 -1.26 -5.00 121.20 119.35 1xjm s ILE 273 Ca 0.15 0.29 0.08 0.00 0.00 0.00 0.00 60.65 61.16 1xjm s ILE 273 Cb 0.15 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 1xjm s ILE 273 CO 0.49 -0.25 -0.23 -0.13 0.00 0.00 0.00 174.94 174.83 1xjm s ARG 274 N 5.97 1.69 -0.13 2.79 0.52 -1.26 -4.15 118.95 124.38 1xjm s ARG 274 Ca 0.88 -0.91 -0.17 0.00 -0.52 0.00 0.00 55.73 55.01 1xjm s ARG 274 Cb -0.27 -1.73 0.04 0.00 0.52 0.00 0.00 34.95 33.52 1xjm s ARG 274 CO 0.34 0.46 0.46 0.21 0.02 0.00 0.00 175.30 176.79 1xjm s LYS 275 N -0.87 0.62 -0.22 3.54 2.20 -0.64 -5.01 119.74 119.36 1xjm s LYS 275 Ca 0.09 0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 56.07 1xjm s LYS 275 Cb -0.09 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 1xjm s LYS 275 CO 0.01 -0.11 0.08 0.15 -0.36 0.00 0.00 175.35 175.12 1xjm s LYS 276 N -0.19 3.87 0.05 4.03 1.02 -1.26 0.04 119.74 127.31 1xjm s LYS 276 Ca -0.04 -0.38 0.06 0.00 0.02 0.00 0.00 55.97 55.63 1xjm s LYS 276 Cb -0.03 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 1xjm s LYS 276 CO 0.02 0.07 -0.17 0.14 -0.92 0.00 0.00 175.35 174.49 1xjm s VAL 277 N 0.95 1.36 -0.11 3.17 -7.23 -0.49 -4.96 120.40 113.09 1xjm s VAL 277 Ca 0.04 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.76 1xjm s VAL 277 Cb -0.14 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1xjm s VAL 277 CO 0.03 0.03 1.47 -0.54 -0.31 0.00 0.00 175.10 175.78 1xjm s LYS 278 N -1.31 4.20 0.33 4.82 -0.14 -1.26 0.84 119.74 127.22 1xjm s LYS 278 Ca 0.04 1.94 0.08 0.00 -1.36 0.00 0.00 55.97 56.66 1xjm s LYS 278 Cb -0.09 -3.88 0.77 0.00 -1.68 0.00 0.00 37.83 32.96 1xjm s LYS 278 CO 0.02 -0.78 1.83 0.97 -0.76 0.00 0.00 175.35 176.63 1xjm h ILE 279 N 5.54 0.80 -0.37 2.17 6.09 -1.72 -0.72 117.51 129.30 1xjm h ILE 279 Ca -0.33 -0.25 0.01 0.00 -1.37 0.00 0.00 64.86 62.91 1xjm h ILE 279 Cb 1.14 -0.01 -0.02 0.00 0.47 0.00 0.00 36.82 38.40 1xjm h ILE 279 CO 0.96 0.14 0.25 0.03 -3.07 0.00 0.00 178.15 176.45 1xjm h ARG 280 N 0.74 0.48 0.09 2.19 3.08 -1.89 0.11 114.38 119.17 1xjm h ARG 280 Ca 0.50 -0.03 -0.27 0.00 0.07 0.00 0.00 59.98 60.25 1xjm h ARG 280 Cb 0.78 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.74 1xjm h ARG 280 CO -0.26 0.31 -1.15 0.93 -1.07 0.00 0.00 179.97 178.73 1xjm h GLU 281 N 0.49 0.45 -0.32 0.04 5.08 -1.54 -2.10 114.58 116.68 1xjm h GLU 281 Ca 0.14 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1xjm h GLU 281 Cb -0.04 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1xjm h GLU 281 CO -0.03 1.24 0.21 1.25 -1.00 0.00 0.00 179.01 180.69 1xjm h LEU 282 N 0.20 0.37 -0.85 1.33 5.85 -0.67 -2.43 115.31 119.11 1xjm h LEU 282 Ca -0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1xjm h LEU 282 Cb 1.82 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.72 1xjm h LEU 282 CO 0.20 0.27 0.55 -0.26 -0.34 0.00 0.00 178.44 178.86 1xjm h PHE 283 N 0.43 1.08 -0.45 1.25 0.04 -0.98 -1.70 116.94 116.62 1xjm h PHE 283 Ca 0.12 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.80 1xjm h PHE 283 Cb -0.05 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.73 1xjm h PHE 283 CO -0.05 0.69 -0.12 -0.09 -0.60 0.00 0.00 178.31 178.13 1xjm h ARG 284 N 1.15 0.87 -0.50 1.51 2.43 -1.25 0.61 114.38 119.20 1xjm h ARG 284 Ca 0.31 -0.34 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1xjm h ARG 284 Cb -0.11 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1xjm h ARG 284 CO -0.06 0.98 0.31 -0.22 -1.51 0.00 0.00 179.97 179.47 1xjm h LYS 285 N 0.71 0.62 -0.30 0.20 3.64 -1.29 0.22 116.57 120.36 1xjm h LYS 285 Ca 0.11 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1xjm h LYS 285 Cb 0.67 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1xjm h LYS 285 CO 0.05 0.41 0.12 0.82 -2.27 0.00 0.00 179.45 178.58 1xjm h ILE 286 N 0.63 1.17 -0.81 2.00 2.04 -0.98 -2.41 117.51 119.16 1xjm h ILE 286 Ca 0.19 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1xjm h ILE 286 Cb -0.02 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1xjm h ILE 286 CO -0.07 0.18 0.33 0.00 0.00 0.00 0.00 178.15 178.59 1xjm h ALA 287 N 0.97 1.06 -0.26 1.87 0.00 -0.58 0.09 119.26 122.41 1xjm h ALA 287 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xjm h ALA 287 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xjm h ALA 287 CO -0.01 0.67 0.17 1.15 0.00 0.00 0.00 179.25 181.23 1xjm h THR 288 N 1.18 1.07 -0.47 0.00 2.02 -0.54 0.44 112.91 116.61 1xjm h THR 288 Ca 0.27 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 1xjm h THR 288 Cb 0.20 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1xjm h THR 288 CO -0.02 0.06 -0.07 0.78 0.37 0.00 0.00 175.52 176.64 1xjm h ASN 289 N 0.35 0.88 -0.55 4.18 -0.26 -1.24 -1.66 115.58 117.27 1xjm h ASN 289 Ca 0.09 -0.34 -0.09 0.00 -0.56 0.00 0.00 56.30 55.40 1xjm h ASN 289 Cb -0.04 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 36.96 1xjm h ASN 289 CO -0.02 1.01 0.01 0.00 -1.06 0.00 0.00 177.43 177.37 1xjm h ALA 290 N 0.89 0.93 -0.41 -0.83 0.00 -0.57 -1.13 119.26 118.14 1xjm h ALA 290 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xjm h ALA 290 Cb 0.61 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1xjm h ALA 290 CO 0.04 0.64 0.20 2.35 0.00 0.00 0.00 179.25 182.49 1xjm h TRP 291 N 0.92 0.54 0.24 0.00 7.01 0.02 0.15 115.95 124.83 1xjm h TRP 291 Ca 0.17 -0.01 -0.33 0.00 2.11 0.00 0.00 58.89 60.83 1xjm h TRP 291 Cb 0.52 -0.18 0.04 0.00 -2.10 0.00 0.00 29.16 27.44 1xjm h TRP 291 CO 0.03 0.40 -1.45 0.87 -2.79 0.00 0.00 178.44 175.50 1xjm h LYS 292 N 0.56 0.54 0.00 2.65 1.57 -0.96 -3.44 116.57 117.50 1xjm h LYS 292 Ca 0.14 -0.90 0.00 0.00 -1.87 0.00 0.00 60.65 58.02 1xjm h LYS 292 Cb 0.05 0.33 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xjm h LYS 292 CO -0.02 1.43 -0.00 -1.13 -0.57 0.00 0.00 179.45 179.16 1xjm n SER 293 N -3.72 0.00 0.00 0.86 3.41 -0.46 -4.43 113.62 109.29 1xjm n SER 293 Ca -0.16 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1xjm n SER 293 Cb 1.09 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 1xjm n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjm n GLY 294 N 0.01 0.97 3.24 5.00 0.00 0.52 -4.84 105.19 110.08 1xjm n GLY 294 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1xjm n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjm s ASP 295 N -2.78 2.24 0.42 1.61 1.11 -1.26 -4.49 116.67 113.53 1xjm s ASP 295 Ca 0.00 -0.64 -0.05 0.00 0.18 0.00 0.00 52.55 52.04 1xjm s ASP 295 Cb 0.00 -0.12 -0.04 0.00 1.07 0.00 0.00 42.92 43.83 1xjm s ASP 295 CO 0.00 0.03 0.72 -2.16 1.18 0.00 0.00 175.17 174.94 1xjm s PRO 296 N -1.74 3.59 0.46 8.23 0.04 -1.26 -2.33 135.00 141.98 1xjm s PRO 296 Ca 0.04 0.16 -0.06 0.00 0.04 0.00 0.00 61.00 61.17 1xjm s PRO 296 Cb -0.10 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 32.09 1xjm s PRO 296 CO 0.03 -0.07 0.62 0.41 0.04 0.00 0.00 177.00 178.04 1xjm n GLY 297 N -1.83 -0.78 3.35 0.56 0.00 0.35 -4.72 105.19 102.13 1xjm n GLY 297 Ca -0.00 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1xjm n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjm s LEU 298 N 0.00 2.60 -0.33 0.99 1.43 -0.76 0.12 118.68 122.74 1xjm s LEU 298 Ca 0.36 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1xjm s LEU 298 Cb -0.01 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.71 1xjm s LEU 298 CO 0.25 0.19 0.05 0.00 0.23 0.00 0.00 176.35 177.06 1xjm s ALA 299 N 0.22 2.89 -1.37 4.21 0.00 0.76 -0.34 121.76 128.12 1xjm s ALA 299 Ca -0.10 -2.02 -0.14 0.00 0.00 0.00 0.00 51.96 49.71 1xjm s ALA 299 Cb -0.16 -2.03 0.08 0.00 0.00 0.00 0.00 23.12 21.01 1xjm s ALA 299 CO 0.06 -1.43 1.99 1.19 0.00 0.00 0.00 175.76 177.57 1xjm n PHE 300 N 4.57 3.80 -0.34 0.00 3.72 0.63 -0.61 117.46 129.22 1xjm n PHE 300 Ca -0.09 -2.94 0.01 0.00 -0.05 0.00 0.00 57.45 54.38 1xjm n PHE 300 Cb 0.43 -2.44 0.15 0.00 -0.94 0.00 0.00 39.48 36.67 1xjm n PHE 300 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xjm h LEU 301 N 10.19 0.95 -0.38 4.37 3.38 -1.60 -2.29 115.31 129.93 1xjm h LEU 301 Ca 0.49 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.50 1xjm h LEU 301 Cb 0.71 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1xjm h LEU 301 CO 1.70 0.62 0.19 1.23 0.09 0.00 0.00 178.44 182.26 1xjm h GLY 302 N 1.10 0.51 1.40 0.83 0.00 -1.14 -1.40 103.07 104.38 1xjm h GLY 302 Ca 0.39 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.64 1xjm h GLY 302 CO -0.16 0.09 0.29 -2.09 0.00 0.00 0.00 176.54 174.68 1xjm h GLU 303 N 0.38 0.37 -0.34 4.80 4.57 -1.67 0.66 114.58 123.35 1xjm h GLU 303 Ca 0.16 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.17 1xjm h GLU 303 Cb 0.07 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1xjm h GLU 303 CO -0.12 0.25 -0.38 0.52 -1.18 0.00 0.00 179.01 178.10 1xjm h MET 304 N 0.38 0.86 -0.03 1.92 2.86 -0.85 -3.13 114.93 116.95 1xjm h MET 304 Ca 0.18 -0.47 -0.14 0.00 -2.06 0.00 0.00 59.70 57.21 1xjm h MET 304 Cb 0.25 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1xjm h MET 304 CO -0.04 1.11 -0.63 -0.91 1.06 0.00 0.00 176.91 177.50 1xjm h ASN 305 N 0.66 0.13 -1.04 1.22 2.35 -0.72 -2.18 115.58 115.99 1xjm h ASN 305 Ca 0.05 -0.08 0.32 0.00 -0.55 0.00 0.00 56.30 56.05 1xjm h ASN 305 Cb 0.97 -0.04 -0.14 0.00 0.05 0.00 0.00 38.32 39.17 1xjm h ASN 305 CO 0.09 0.73 0.62 0.50 -1.65 0.00 0.00 177.43 177.71 1xjm h LYS 306 N 0.08 0.31 -0.27 0.81 3.64 -0.83 -2.36 116.57 117.96 1xjm h LYS 306 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1xjm h LYS 306 Cb 1.13 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1xjm h LYS 306 CO 0.09 0.21 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 1xjm n TYR 307 N -4.95 0.36 -2.67 1.91 4.01 -1.02 -4.94 117.16 109.86 1xjm n TYR 307 Ca 0.31 -0.37 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 1xjm n TYR 307 Cb 1.01 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 40.00 1xjm n TYR 307 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1xjm s TYR 308 N -0.99 3.04 0.61 -0.72 5.04 -0.85 -4.65 117.35 118.82 1xjm s TYR 308 Ca 0.21 0.96 0.30 0.00 -2.44 0.00 0.00 57.07 56.11 1xjm s TYR 308 Cb 0.12 -3.90 1.67 0.00 0.35 0.00 0.00 41.96 40.20 1xjm s TYR 308 CO 0.16 -0.93 2.04 -1.35 -1.34 0.00 0.00 175.55 174.13 1xjm h PRO 309 N 8.51 0.00 -0.16 4.97 0.11 -1.88 -2.07 132.00 141.48 1xjm h PRO 309 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1xjm h PRO 309 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1xjm h PRO 309 CO 1.05 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.12 1xjm n LEU 310 N -3.54 2.92 -4.76 2.35 4.77 -1.26 0.49 117.00 117.97 1xjm n LEU 310 Ca 0.02 -1.22 -0.40 0.00 -0.03 0.00 0.00 56.01 54.38 1xjm n LEU 310 Cb 0.40 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1xjm n LEU 310 CO 0.24 0.56 0.75 -0.47 -1.33 0.00 0.00 177.39 177.15 1xjm s TYR 311 N -1.55 3.70 -2.06 -1.77 5.04 -0.78 -1.03 117.35 118.90 1xjm s TYR 311 Ca 0.28 1.76 0.27 0.00 -2.44 0.00 0.00 57.07 56.95 1xjm s TYR 311 Cb 0.18 -3.19 0.90 0.00 0.35 0.00 0.00 41.96 40.19 1xjm s TYR 311 CO 0.26 -0.25 1.65 -0.35 -1.34 0.00 0.00 175.55 175.53 1xjm n PRO 312 N 1.29 1.17 -0.18 4.97 -0.05 -1.26 -4.87 135.00 136.07 1xjm n PRO 312 Ca -0.01 -0.68 -0.01 0.00 -0.05 0.00 0.00 63.50 62.75 1xjm n PRO 312 Cb 0.45 -1.49 0.09 0.00 -0.05 0.00 0.00 33.50 32.51 1xjm n PRO 312 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 1xjm h HIS 313 N 1.65 0.23 -3.98 0.54 3.86 -1.80 -3.41 115.15 112.25 1xjm h HIS 313 Ca 0.00 0.03 -0.69 0.00 -1.16 0.00 0.00 60.37 58.55 1xjm h HIS 313 Cb 0.50 -0.02 -0.23 0.00 1.06 0.00 0.00 27.41 28.72 1xjm h HIS 313 CO 0.00 0.01 -0.87 1.03 0.86 0.00 0.00 177.93 178.96 1xjm s ARG 314 N -6.12 1.46 -0.03 2.45 0.52 -0.20 -5.14 118.95 111.90 1xjm s ARG 314 Ca -0.13 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 53.79 1xjm s ARG 314 Cb 0.17 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.74 1xjm s ARG 314 CO 0.73 0.46 -0.07 0.21 0.02 0.00 0.00 175.30 176.65 1xjm s LYS 315 N -1.92 0.83 -0.29 3.54 2.20 -1.26 -3.39 119.74 119.45 1xjm s LYS 315 Ca 0.13 -0.22 -0.19 0.00 -0.36 0.00 0.00 55.97 55.33 1xjm s LYS 315 Cb -0.10 -0.80 -0.02 0.00 -1.51 0.00 0.00 37.83 35.41 1xjm s LYS 315 CO 0.05 0.05 0.59 0.42 -0.36 0.00 0.00 175.35 176.10 1xjm s ILE 316 N 0.36 4.99 -0.15 5.43 1.01 -1.26 -4.11 121.20 127.47 1xjm s ILE 316 Ca -0.05 0.88 0.07 0.00 0.00 0.00 0.00 60.65 61.55 1xjm s ILE 316 Cb -0.09 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1xjm s ILE 316 CO 0.00 -0.05 0.23 0.59 0.00 0.00 0.00 174.94 175.71 1xjm n ASN 317 N 5.74 2.03 -3.61 3.58 3.02 -1.21 -4.87 115.26 119.94 1xjm n ASN 317 Ca -0.02 -0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 54.14 1xjm n ASN 317 Cb 0.49 1.20 -0.04 0.00 -0.61 0.00 0.00 39.78 40.82 1xjm n ASN 317 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xjm s SER 318 N -2.36 -0.31 0.45 6.41 0.15 -1.25 -4.31 113.70 112.48 1xjm s SER 318 Ca -0.00 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 56.44 1xjm s SER 318 Cb 0.05 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.89 1xjm s SER 318 CO 0.31 -0.92 0.47 0.42 1.20 0.00 0.00 173.24 174.72 1xjm s THR 319 N -3.81 2.54 1.01 6.45 -4.23 -1.26 -0.90 115.64 115.44 1xjm s THR 319 Ca 0.04 -1.25 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 1xjm s THR 319 Cb 0.01 -2.79 0.19 0.00 1.34 0.00 0.00 72.50 71.25 1xjm s THR 319 CO -0.10 0.00 1.12 0.54 -0.54 0.00 0.00 174.62 175.64 1xjm s ASN 320 N -4.26 2.59 0.46 3.99 2.20 -1.03 -3.93 114.94 114.96 1xjm s ASN 320 Ca 0.49 0.97 0.27 0.00 -0.94 0.00 0.00 52.86 53.65 1xjm s ASN 320 Cb -0.05 -1.50 1.32 0.00 -2.00 0.00 0.00 41.25 39.02 1xjm s ASN 320 CO 0.29 -3.13 1.76 -0.65 -2.94 0.00 0.00 177.10 172.44 1xjm h PRO 321 N -1.89 0.20 -0.02 3.55 0.11 -1.80 -1.39 132.00 130.75 1xjm h PRO 321 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1xjm h PRO 321 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xjm h PRO 321 CO 0.54 0.13 -0.20 0.00 -0.21 0.00 0.00 178.00 178.27 1xjm n GLY 323 N 1.38 1.99 0.19 0.00 0.00 -0.52 -4.58 105.19 103.63 1xjm n GLY 323 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1xjm n GLY 323 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xjm h GLU 324 N 2.67 0.00 -5.05 1.61 9.09 -1.83 -3.41 114.58 117.66 1xjm h GLU 324 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 1xjm h GLU 324 Cb 0.00 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 26.77 1xjm h GLU 324 CO 0.00 0.00 -0.83 0.42 0.05 0.00 0.00 179.01 178.65 1xjm s ILE 325 N -3.27 2.39 -0.10 -1.06 -1.09 -1.26 0.29 121.20 117.10 1xjm s ILE 325 Ca 0.07 -0.83 -0.22 0.00 -2.23 0.00 0.00 60.65 57.44 1xjm s ILE 325 Cb 0.08 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 1xjm s ILE 325 CO 0.60 0.51 0.62 -0.83 -1.23 0.00 0.00 174.94 174.61 1xjm s GLY 326 N 1.31 2.48 0.03 6.18 0.00 -1.26 -2.46 107.32 113.60 1xjm s GLY 326 Ca 0.05 -0.01 0.07 0.00 0.00 0.00 0.00 44.72 44.82 1xjm s GLY 326 CO -0.10 1.07 -0.19 1.08 0.00 0.00 0.00 173.10 174.96 1xjm s LEU 327 N 0.88 2.14 0.86 0.66 1.43 -0.08 -4.99 118.68 119.58 1xjm s LEU 327 Ca 0.33 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 1xjm s LEU 327 Cb -0.17 -0.91 0.11 0.00 0.03 0.00 0.00 46.19 45.26 1xjm s LEU 327 CO 0.15 0.15 1.21 -0.94 0.23 0.00 0.00 176.35 177.15 1xjm s SER 328 N -1.04 4.08 0.14 2.29 1.04 -1.26 -3.36 113.70 115.59 1xjm s SER 328 Ca 0.06 0.67 -0.31 0.00 0.48 0.00 0.00 55.95 56.85 1xjm s SER 328 Cb -0.08 -1.05 -0.10 0.00 0.10 0.00 0.00 66.02 64.88 1xjm s SER 328 CO 0.01 -2.17 1.76 -1.81 0.98 0.00 0.00 173.24 172.02 1xjm s ASP 329 N -4.62 6.45 0.00 7.02 -0.00 -1.26 -1.47 116.67 122.79 1xjm s ASP 329 Ca 0.65 2.73 0.00 0.00 -0.00 0.00 0.00 52.55 55.94 1xjm s ASP 329 Cb -0.09 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 1xjm s ASP 329 CO 0.50 -0.97 0.00 -1.22 -0.00 0.00 0.00 175.17 173.48 1xjm n TYR 330 N 5.18 0.00 -3.04 4.23 4.01 0.41 -4.95 117.16 123.00 1xjm n TYR 330 Ca 0.17 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.55 1xjm n TYR 330 Cb 0.38 -0.72 -0.06 0.00 -0.31 0.00 0.00 39.34 38.63 1xjm n TYR 330 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xjm s GLU 331 N -0.71 4.29 0.36 -0.72 2.12 -0.54 -3.93 118.70 119.57 1xjm s GLU 331 Ca 0.00 0.94 0.04 0.00 0.36 0.00 0.00 54.97 56.31 1xjm s GLU 331 Cb 0.00 -2.80 -0.06 0.00 0.26 0.00 0.00 34.13 31.53 1xjm s GLU 331 CO 0.00 0.34 0.05 0.00 -0.54 0.00 0.00 175.26 175.11 1xjm s ALA 332 N -1.60 2.68 -0.20 6.30 0.00 -1.26 -2.22 121.76 125.46 1xjm s ALA 332 Ca 0.46 -1.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 1xjm s ALA 332 Cb -0.16 0.52 0.06 0.00 0.00 0.00 0.00 23.12 23.54 1xjm s ALA 332 CO 0.21 -0.25 0.51 0.00 0.00 0.00 0.00 175.76 176.22 1xjm s ASN 334 N 1.13 6.04 0.25 0.00 4.22 -1.26 -2.67 114.94 122.65 1xjm s ASN 334 Ca -0.07 0.27 0.11 0.00 -2.14 0.00 0.00 52.86 51.03 1xjm s ASN 334 Cb -0.06 -1.83 -0.05 0.00 1.28 0.00 0.00 41.25 40.59 1xjm s ASN 334 CO -0.11 0.29 -0.20 -0.76 -2.04 0.00 0.00 177.10 174.28 1xjm s LEU 335 N -1.72 2.56 0.03 3.54 1.43 -1.26 -1.62 118.68 121.63 1xjm s LEU 335 Ca 0.24 -1.00 -0.27 0.00 -1.03 0.00 0.00 54.13 52.06 1xjm s LEU 335 Cb -0.12 -1.04 0.09 0.00 0.03 0.00 0.00 46.19 45.15 1xjm s LEU 335 CO 0.14 0.02 0.79 -0.83 0.23 0.00 0.00 176.35 176.70 1xjm s GLY 336 N -3.34 -0.50 -0.02 -3.19 0.00 -1.05 0.15 107.32 99.37 1xjm s GLY 336 Ca 0.27 0.99 0.02 0.00 0.00 0.00 0.00 44.72 46.00 1xjm s GLY 336 CO 0.13 0.42 -0.08 -0.56 0.00 0.00 0.00 173.10 173.01 1xjm s SER 337 N -2.28 1.02 -0.10 1.64 0.01 -0.23 -0.93 113.70 112.82 1xjm s SER 337 Ca 0.01 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 56.95 1xjm s SER 337 Cb -0.01 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 1xjm s SER 337 CO -0.07 0.06 0.44 -0.63 0.41 0.00 0.00 173.24 173.45 1xjm s ILE 338 N 0.13 5.17 -0.89 1.44 1.01 -0.17 -1.35 121.20 126.55 1xjm s ILE 338 Ca -0.02 0.89 -0.22 0.00 0.00 0.00 0.00 60.65 61.30 1xjm s ILE 338 Cb -0.07 -3.78 0.08 0.00 0.01 0.00 0.00 42.46 38.70 1xjm s ILE 338 CO 0.00 0.37 1.23 -0.62 0.00 0.00 0.00 174.94 175.92 1xjm s ASP 339 N 0.34 6.46 0.37 3.58 2.15 -0.38 -0.79 116.67 128.39 1xjm s ASP 339 Ca 0.24 -1.49 0.27 0.00 0.43 0.00 0.00 52.55 52.01 1xjm s ASP 339 Cb -0.15 -2.48 0.96 0.00 -0.30 0.00 0.00 42.92 40.95 1xjm s ASP 339 CO 0.10 -1.37 1.79 -0.37 -0.17 0.00 0.00 175.17 175.15 1xjm h VAL 340 N 6.21 0.00 -0.09 1.11 -1.51 -1.59 -2.42 116.25 117.96 1xjm h VAL 340 Ca 0.05 -0.50 0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1xjm h VAL 340 Cb 1.03 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1xjm h VAL 340 CO 1.25 0.00 0.12 0.00 -1.23 0.00 0.00 177.57 177.71 1xjm h ALA 341 N 2.19 1.61 0.00 5.19 0.00 -1.74 -1.77 119.26 124.75 1xjm h ALA 341 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xjm h ALA 341 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1xjm h ALA 341 CO 0.00 -0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.71 1xjm n LYS 342 N -3.71 0.08 -0.27 0.00 5.02 -0.91 -3.42 118.16 114.95 1xjm n LYS 342 Ca -0.01 0.07 0.08 0.00 -2.02 0.00 0.00 58.31 56.43 1xjm n LYS 342 Cb 0.22 -1.60 0.22 0.00 -0.02 0.00 0.00 35.03 33.85 1xjm n LYS 342 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xjm n PHE 343 N -1.74 0.71 -2.54 2.13 3.01 -0.66 -4.90 117.46 113.45 1xjm n PHE 343 Ca 0.06 -0.34 -0.42 0.00 1.01 0.00 0.00 57.45 57.76 1xjm n PHE 343 Cb 0.37 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 1xjm n PHE 343 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xjm s TYR 344 N -1.39 3.32 -0.12 1.38 5.04 -1.22 -0.11 117.35 124.25 1xjm s TYR 344 Ca 0.33 1.36 -0.04 0.00 -2.44 0.00 0.00 57.07 56.29 1xjm s TYR 344 Cb 0.18 -3.33 0.05 0.00 0.35 0.00 0.00 41.96 39.21 1xjm s TYR 344 CO 0.22 -0.90 0.09 1.21 -1.34 0.00 0.00 175.55 174.83 1xjm s ASN 345 N 1.32 1.82 -1.36 4.32 3.04 0.13 -4.91 114.94 119.29 1xjm s ASN 345 Ca 0.53 -0.32 -0.12 0.00 0.04 0.00 0.00 52.86 53.00 1xjm s ASN 345 Cb -0.22 -0.16 0.02 0.00 -1.54 0.00 0.00 41.25 39.34 1xjm s ASN 345 CO 0.21 -0.31 0.22 0.59 -3.04 0.00 0.00 177.10 174.77 1xjm n ASN 346 N 5.29 -0.74 0.00 -4.21 5.03 -1.26 -1.33 115.26 118.05 1xjm n ASN 346 Ca -0.05 -1.23 0.00 0.00 0.87 0.00 0.00 54.58 54.17 1xjm n ASN 346 Cb 0.49 -1.50 0.00 0.00 -1.02 0.00 0.00 39.78 37.75 1xjm n ASN 346 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xjm n GLY 347 N -2.35 0.75 3.14 7.41 0.00 -1.26 -5.04 105.19 107.83 1xjm n GLY 347 Ca -0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1xjm n GLY 347 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjm s PHE 348 N -2.72 0.75 -0.19 1.61 0.40 -0.44 -4.98 117.98 112.40 1xjm s PHE 348 Ca 0.00 -0.99 -0.17 0.00 -0.60 0.00 0.00 56.93 55.17 1xjm s PHE 348 Cb 0.00 -0.47 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 1xjm s PHE 348 CO 0.00 -0.26 0.46 0.08 0.70 0.00 0.00 175.22 176.20 1xjm s VAL 349 N -3.76 5.16 -0.94 -0.44 1.01 -1.26 0.18 120.40 120.34 1xjm s VAL 349 Ca 0.11 0.84 -0.24 0.00 0.00 0.00 0.00 61.98 62.69 1xjm s VAL 349 Cb 0.06 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1xjm s VAL 349 CO -0.06 0.22 1.82 -0.62 0.00 0.00 0.00 175.10 176.46 1xjm s ASP 350 N 1.06 5.50 0.52 3.32 -1.08 0.84 -4.79 116.67 122.03 1xjm s ASP 350 Ca 0.22 -0.92 0.29 0.00 -0.52 0.00 0.00 52.55 51.62 1xjm s ASP 350 Cb -0.15 -2.56 1.38 0.00 -1.46 0.00 0.00 42.92 40.13 1xjm s ASP 350 CO 0.09 -2.43 2.02 -0.07 0.52 0.00 0.00 175.17 175.31 1xjm h LEU 351 N 16.53 0.00 0.24 -1.34 3.38 -1.94 -2.15 115.31 130.04 1xjm h LEU 351 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1xjm h LEU 351 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1xjm h LEU 351 CO 1.27 0.12 -0.12 -0.08 0.09 0.00 0.00 178.44 179.72 1xjm h GLU 352 N 0.00 -0.32 -0.72 1.13 4.81 -1.87 -1.88 114.58 115.74 1xjm h GLU 352 Ca -0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1xjm h GLU 352 Cb 0.44 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1xjm h GLU 352 CO 0.02 0.05 0.39 0.00 -0.73 0.00 0.00 179.01 178.74 1xjm h ALA 353 N -0.29 1.33 -0.41 2.92 0.00 -1.47 -3.03 119.26 118.31 1xjm h ALA 353 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1xjm h ALA 353 Cb 0.51 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xjm h ALA 353 CO 0.06 0.54 0.22 1.25 0.00 0.00 0.00 179.25 181.32 1xjm h LEU 354 N 1.00 0.51 -0.43 0.00 5.85 -1.38 -2.21 115.31 118.65 1xjm h LEU 354 Ca 0.25 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1xjm h LEU 354 Cb 0.03 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1xjm h LEU 354 CO -0.04 0.46 0.25 -0.61 -0.34 0.00 0.00 178.44 178.15 1xjm h GLN 355 N 0.53 0.60 -0.91 1.25 4.15 -1.31 -0.52 115.11 118.90 1xjm h GLN 355 Ca 0.14 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.55 1xjm h GLN 355 Cb 0.06 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.57 1xjm h GLN 355 CO -0.02 0.47 0.59 0.93 -1.93 0.00 0.00 178.83 178.87 1xjm h GLU 356 N 0.57 1.04 -0.05 1.69 5.08 -1.45 -1.82 114.58 119.63 1xjm h GLU 356 Ca 0.15 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.28 1xjm h GLU 356 Cb 0.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1xjm h GLU 356 CO -0.03 0.69 -0.71 1.25 -1.00 0.00 0.00 179.01 179.21 1xjm h LEU 357 N 1.07 0.31 -0.75 1.33 5.85 -0.87 -2.16 115.31 120.09 1xjm h LEU 357 Ca 0.38 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1xjm h LEU 357 Cb 0.13 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1xjm h LEU 357 CO -0.13 0.92 0.27 0.58 -0.34 0.00 0.00 178.44 179.73 1xjm h VAL 358 N 0.18 1.26 -0.05 1.05 2.07 -0.79 0.14 116.25 120.10 1xjm h VAL 358 Ca -0.02 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.66 1xjm h VAL 358 Cb 1.27 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1xjm h VAL 358 CO 0.11 0.34 -0.12 1.56 0.02 0.00 0.00 177.57 179.48 1xjm h GLN 359 N 1.10 -0.17 -0.57 1.57 4.20 -1.17 -1.20 115.11 118.86 1xjm h GLN 359 Ca 0.25 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 1xjm h GLN 359 Cb 0.27 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1xjm h GLN 359 CO -0.01 -0.12 0.11 0.82 -0.67 0.00 0.00 178.83 178.96 1xjm h ILE 360 N -0.18 1.25 -0.43 2.54 2.04 -1.06 -3.08 117.51 118.59 1xjm h ILE 360 Ca 0.06 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 64.88 1xjm h ILE 360 Cb 0.27 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1xjm h ILE 360 CO -0.16 0.34 -0.16 0.00 0.00 0.00 0.00 178.15 178.18 1xjm h ALA 361 N 1.01 0.60 -0.60 1.87 0.00 -0.47 1.00 119.26 122.66 1xjm h ALA 361 Ca 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xjm h ALA 361 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1xjm h ALA 361 CO 0.01 0.53 0.34 0.28 0.00 0.00 0.00 179.25 180.40 1xjm h VAL 362 N 0.69 1.18 -0.06 0.00 2.07 -1.27 -0.66 116.25 118.20 1xjm h VAL 362 Ca 0.10 -0.44 -0.25 0.00 0.82 0.00 0.00 66.70 66.93 1xjm h VAL 362 Cb 0.71 0.36 0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1xjm h VAL 362 CO 0.05 0.20 -0.93 -0.09 0.02 0.00 0.00 177.57 176.82 1xjm h ARG 363 N 0.83 0.74 0.07 1.57 2.43 -1.29 -0.84 114.38 117.89 1xjm h ARG 363 Ca 0.21 -0.71 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1xjm h ARG 363 Cb 0.01 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1xjm h ARG 363 CO -0.04 1.30 -0.13 0.35 -1.51 0.00 0.00 179.97 179.94 1xjm h PHE 364 N 0.45 -0.34 -0.46 2.20 3.04 -0.31 0.16 116.94 121.66 1xjm h PHE 364 Ca -0.10 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1xjm h PHE 364 Cb 1.57 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 40.20 1xjm h PHE 364 CO 0.10 -0.20 0.30 -0.07 -2.02 0.00 0.00 178.31 176.41 1xjm h LEU 365 N -0.26 0.54 -1.26 0.59 3.38 -1.14 -1.37 115.31 115.79 1xjm h LEU 365 Ca 0.03 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1xjm h LEU 365 Cb 0.28 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1xjm h LEU 365 CO -0.08 0.41 0.06 -0.78 0.09 0.00 0.00 178.44 178.13 1xjm h ASP 366 N 0.62 0.52 0.34 -0.43 3.58 -0.95 -2.49 116.42 117.61 1xjm h ASP 366 Ca 0.17 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 1xjm h ASP 366 Cb -0.05 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1xjm h ASP 366 CO -0.03 0.55 -0.35 0.78 -2.88 0.00 0.00 179.24 177.31 1xjm h ASN 367 N 0.55 0.02 -0.54 2.28 4.21 -0.42 -3.10 115.58 118.58 1xjm h ASN 367 Ca 0.12 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1xjm h ASN 367 Cb 0.27 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.43 1xjm h ASN 367 CO 0.00 0.37 0.35 0.58 -1.29 0.00 0.00 177.43 177.45 1xjm h VAL 368 N 0.02 1.15 -0.96 2.81 2.07 -0.78 -2.24 116.25 118.30 1xjm h VAL 368 Ca -0.00 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.27 1xjm h VAL 368 Cb 0.63 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1xjm h VAL 368 CO 0.05 0.14 0.63 0.40 0.02 0.00 0.00 177.57 178.81 1xjm h ILE 369 N 0.74 1.20 0.00 4.57 2.04 -1.58 -1.06 117.51 123.42 1xjm h ILE 369 Ca 0.20 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 1xjm h ILE 369 Cb -0.07 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 35.83 1xjm h ILE 369 CO -0.04 0.23 -0.33 0.44 0.00 0.00 0.00 178.15 178.44 1xjm h ASP 370 N 1.25 0.00 -0.14 1.72 3.32 -1.54 -2.89 116.42 118.14 1xjm h ASP 370 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1xjm h ASP 370 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xjm h ASP 370 CO -0.11 0.33 0.00 1.33 -1.72 0.00 0.00 179.24 179.08 1xjm n VAL 371 N -3.48 0.20 -2.74 -1.35 0.24 -1.11 -4.96 118.33 105.13 1xjm n VAL 371 Ca -0.00 -0.60 -0.39 0.00 -2.04 0.00 0.00 64.34 61.31 1xjm n VAL 371 Cb 0.50 1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 34.03 1xjm n VAL 371 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xjm s ASN 372 N -1.51 7.55 -0.12 -1.34 3.84 -0.42 -4.93 114.94 118.00 1xjm s ASN 372 Ca 0.27 1.94 0.01 0.00 0.21 0.00 0.00 52.86 55.29 1xjm s ASN 372 Cb 0.17 -2.60 0.02 0.00 -0.55 0.00 0.00 41.25 38.29 1xjm s ASN 372 CO 0.25 0.09 -0.15 -0.69 -2.79 0.00 0.00 177.10 173.81 1xjm s VAL 373 N -1.28 1.53 0.12 -5.21 1.01 -0.33 -5.01 120.40 111.24 1xjm s VAL 373 Ca 0.43 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1xjm s VAL 373 Cb -0.25 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1xjm s VAL 373 CO 0.31 0.45 0.11 -0.36 0.00 0.00 0.00 175.10 175.61 1xjm s PHE 374 N 1.17 3.17 -2.03 5.22 0.40 -1.26 -3.74 117.98 120.90 1xjm s PHE 374 Ca -0.02 0.03 0.31 0.00 -0.60 0.00 0.00 56.93 56.64 1xjm s PHE 374 Cb -0.14 -1.57 1.65 0.00 0.51 0.00 0.00 43.02 43.47 1xjm s PHE 374 CO -0.05 0.52 2.09 -0.35 0.70 0.00 0.00 175.22 178.13 1xjm n PRO 375 N 0.04 1.07 -3.72 0.24 -0.04 -1.26 -4.76 135.00 126.57 1xjm n PRO 375 Ca -0.08 -0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.00 1xjm n PRO 375 Cb 0.53 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 1xjm n PRO 375 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xjm s ILE 376 N -2.08 -0.12 0.26 0.52 1.01 -1.26 -5.05 121.20 114.48 1xjm s ILE 376 Ca 0.43 0.28 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 1xjm s ILE 376 Cb 0.22 -0.21 0.25 0.00 0.01 0.00 0.00 42.46 42.73 1xjm s ILE 376 CO 0.38 0.12 1.86 0.44 0.00 0.00 0.00 174.94 177.74 1xjm h ASP 377 N 7.78 0.94 -0.03 3.58 3.32 -2.00 -1.66 116.42 128.34 1xjm h ASP 377 Ca -0.30 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1xjm h ASP 377 Cb 1.13 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1xjm h ASP 377 CO 0.31 0.59 -0.03 0.11 -1.72 0.00 0.00 179.24 178.50 1xjm h LYS 378 N 1.07 0.17 -0.13 3.56 1.57 -1.96 -1.64 116.57 119.20 1xjm h LYS 378 Ca 0.42 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 59.04 1xjm h LYS 378 Cb 0.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xjm h LYS 378 CO -0.19 0.22 -0.44 0.82 -0.57 0.00 0.00 179.45 179.29 1xjm h ILE 379 N 0.17 1.36 -0.87 1.86 2.04 -1.43 -2.19 117.51 118.45 1xjm h ILE 379 Ca 0.04 -1.73 0.15 0.00 1.00 0.00 0.00 64.86 64.32 1xjm h ILE 379 Cb 0.17 2.08 -0.09 0.00 -0.74 0.00 0.00 36.82 38.24 1xjm h ILE 379 CO 0.01 0.52 0.47 0.74 0.00 0.00 0.00 178.15 179.88 1xjm h THR 380 N 0.15 0.75 0.12 -0.27 2.02 -1.14 -1.27 112.91 113.27 1xjm h THR 380 Ca -0.02 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1xjm h THR 380 Cb 1.06 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1xjm h THR 380 CO 0.09 0.12 -0.06 0.50 0.37 0.00 0.00 175.52 176.55 1xjm h LYS 381 N 0.67 -0.16 -0.88 6.66 3.64 -1.30 -1.97 116.57 123.23 1xjm h LYS 381 Ca 0.47 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 60.05 1xjm h LYS 381 Cb 0.65 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.40 1xjm h LYS 381 CO -0.35 0.32 0.41 0.00 -2.27 0.00 0.00 179.45 177.57 1xjm h ALA 382 N -0.09 1.37 -0.20 5.00 0.00 -1.32 -1.35 119.26 122.66 1xjm h ALA 382 Ca -0.02 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1xjm h ALA 382 Cb 0.55 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xjm h ALA 382 CO 0.03 -0.23 -0.64 0.28 0.00 0.00 0.00 179.25 178.69 1xjm h VAL 383 N 0.50 1.30 -0.75 0.00 2.07 -1.25 -3.02 116.25 115.10 1xjm h VAL 383 Ca 0.52 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 1xjm h VAL 383 Cb 0.88 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1xjm h VAL 383 CO -0.45 0.59 0.32 0.11 0.02 0.00 0.00 177.57 178.16 1xjm h LYS 384 N 0.54 1.10 -0.11 1.57 1.57 -1.02 -0.04 116.57 120.16 1xjm h LYS 384 Ca -0.01 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1xjm h LYS 384 Cb 1.24 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1xjm h LYS 384 CO 0.13 0.87 -0.39 0.93 -0.57 0.00 0.00 179.45 180.43 1xjm h GLU 385 N 1.08 0.24 0.00 3.15 5.08 -1.25 -3.39 114.58 119.49 1xjm h GLU 385 Ca 0.25 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1xjm h GLU 385 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xjm h GLU 385 CO -0.03 0.60 -1.27 0.43 -1.00 0.00 0.00 179.01 177.74 1xjm n SER 386 N -4.05 3.85 -3.87 1.42 7.64 -1.14 -2.85 113.62 114.62 1xjm n SER 386 Ca -0.01 -0.01 -0.26 0.00 1.01 0.00 0.00 58.87 59.60 1xjm n SER 386 Cb 0.46 0.27 0.01 0.00 -1.01 0.00 0.00 64.21 63.94 1xjm n SER 386 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xjm n ARG 387 N -2.38 -4.41 -2.29 1.43 1.74 -0.04 -1.44 116.66 109.27 1xjm n ARG 387 Ca -0.07 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.11 1xjm n ARG 387 Cb 0.61 -5.04 -0.03 0.00 -1.02 0.00 0.00 32.46 26.98 1xjm n ARG 387 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xjm s ARG 388 N -6.37 4.33 0.32 5.56 3.52 -1.26 -3.97 118.95 121.09 1xjm s ARG 388 Ca 0.20 1.90 0.08 0.00 -0.13 0.00 0.00 55.73 57.78 1xjm s ARG 388 Cb -0.10 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1xjm s ARG 388 CO 0.85 -0.47 0.19 -0.51 -0.81 0.00 0.00 175.30 174.55 1xjm s LEU 389 N 1.90 3.44 -0.51 -0.88 1.43 0.08 -4.22 118.68 119.92 1xjm s LEU 389 Ca 0.62 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 1xjm s LEU 389 Cb -0.31 -1.97 0.25 0.00 0.03 0.00 0.00 46.19 44.19 1xjm s LEU 389 CO 0.27 -0.27 0.63 0.61 0.23 0.00 0.00 176.35 177.81 1xjm n GLY 390 N -1.22 3.78 3.72 -3.19 0.00 -0.64 -3.18 105.19 104.47 1xjm n GLY 390 Ca -0.03 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 1xjm n GLY 390 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xjm s LEU 391 N -1.78 4.38 0.00 0.99 2.96 0.12 -2.54 118.68 122.81 1xjm s LEU 391 Ca 0.37 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.54 1xjm s LEU 391 Cb 0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.26 1xjm s LEU 391 CO -0.06 -0.56 0.00 0.61 -1.32 0.00 0.00 176.35 175.01 1xjm n GLY 392 N 3.12 4.39 3.22 7.98 0.00 -0.10 -0.52 105.19 123.28 1xjm n GLY 392 Ca 0.09 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.40 1xjm n GLY 392 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xjm s ILE 393 N -1.67 1.18 0.29 -0.61 -4.36 -1.26 -0.99 121.20 113.77 1xjm s ILE 393 Ca 0.00 -1.70 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 1xjm s ILE 393 Cb 0.00 -1.48 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 1xjm s ILE 393 CO 0.00 -0.48 0.10 0.00 0.24 0.00 0.00 174.94 174.80 1xjm s MET 394 N -2.76 1.52 0.00 0.37 0.23 0.03 -4.07 119.30 114.62 1xjm s MET 394 Ca 0.08 -1.84 0.00 0.00 -1.03 0.00 0.00 55.69 52.90 1xjm s MET 394 Cb -0.04 -0.35 0.00 0.00 -1.53 0.00 0.00 34.83 32.91 1xjm s MET 394 CO 0.02 -0.32 0.00 0.41 -2.03 0.00 0.00 175.02 173.10 1xjm n GLY 395 N -0.55 0.86 0.33 3.16 0.00 0.28 -1.66 105.19 107.61 1xjm n GLY 395 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1xjm n GLY 395 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjm h PHE 396 N 0.00 1.00 -0.33 1.61 3.57 -1.78 -0.83 116.94 120.19 1xjm h PHE 396 Ca 0.00 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1xjm h PHE 396 Cb 0.00 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 1xjm h PHE 396 CO 0.00 0.76 0.14 0.00 -2.23 0.00 0.00 178.31 176.98 1xjm h ALA 397 N 1.33 0.43 -0.14 2.41 0.00 -1.81 -1.25 119.26 120.23 1xjm h ALA 397 Ca 0.23 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xjm h ALA 397 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xjm h ALA 397 CO -0.02 0.02 -0.25 -0.44 0.00 0.00 0.00 179.25 178.56 1xjm h ASP 398 N 0.39 0.25 -0.59 0.00 3.32 -1.85 -1.78 116.42 116.17 1xjm h ASP 398 Ca 0.11 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1xjm h ASP 398 Cb 0.17 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1xjm h ASP 398 CO -0.01 0.51 0.39 0.25 -1.72 0.00 0.00 179.24 178.66 1xjm h LEU 399 N 0.23 0.67 -0.22 1.55 5.85 -0.81 -1.57 115.31 121.01 1xjm h LEU 399 Ca 0.04 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1xjm h LEU 399 Cb 0.58 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1xjm h LEU 399 CO 0.04 0.49 0.10 -0.07 -0.34 0.00 0.00 178.44 178.65 1xjm h LEU 400 N 0.79 0.30 -0.72 2.25 3.38 -0.82 -1.18 115.31 119.30 1xjm h LEU 400 Ca 0.22 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1xjm h LEU 400 Cb -0.09 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 40.46 1xjm h LEU 400 CO -0.05 0.36 -0.37 1.88 0.09 0.00 0.00 178.44 180.34 1xjm h TYR 401 N 0.21 -1.06 -0.51 1.13 -1.99 -1.26 0.16 116.97 113.66 1xjm h TYR 401 Ca 0.07 0.09 -0.00 0.00 2.00 0.00 0.00 58.73 60.89 1xjm h TYR 401 Cb 0.15 0.57 -0.02 0.00 2.00 0.00 0.00 36.73 39.42 1xjm h TYR 401 CO -0.02 -0.40 0.31 0.87 -0.00 0.00 0.00 178.16 178.93 1xjm h LYS 402 N -0.12 0.69 0.00 4.88 1.57 -1.14 -2.14 116.57 120.31 1xjm h LYS 402 Ca 0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1xjm h LYS 402 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1xjm h LYS 402 CO -0.78 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 179.88 1xjm n LEU 403 N -4.69 0.00 -3.25 2.94 4.77 -0.46 -4.87 117.00 111.43 1xjm n LEU 403 Ca 0.02 0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 1xjm n LEU 403 Cb 0.05 -0.24 0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1xjm n LEU 403 CO 0.36 -0.06 0.18 -0.62 -1.33 0.00 0.00 177.39 175.92 1xjm n GLU 404 N -1.24 -6.83 -4.15 3.23 -0.58 0.37 -5.01 120.64 106.42 1xjm n GLU 404 Ca 0.12 0.78 -0.35 0.00 -0.42 0.00 0.00 57.16 57.30 1xjm n GLU 404 Cb 0.17 -5.62 -0.13 0.00 -0.57 0.00 0.00 31.44 25.28 1xjm n GLU 404 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xjm s ILE 405 N -3.26 3.63 0.16 -3.67 1.01 0.00 -4.93 121.20 114.14 1xjm s ILE 405 Ca 0.49 -0.42 -0.31 0.00 0.00 0.00 0.00 60.65 60.41 1xjm s ILE 405 Cb -0.22 -2.63 -0.09 0.00 0.01 0.00 0.00 42.46 39.54 1xjm s ILE 405 CO 0.61 0.45 1.44 -2.84 0.00 0.00 0.00 174.94 174.60 1xjm s PRO 406 N 1.00 4.29 0.22 2.79 0.02 -1.26 -4.33 135.00 137.72 1xjm s PRO 406 Ca 0.01 2.20 -0.08 0.00 0.02 0.00 0.00 61.00 63.15 1xjm s PRO 406 Cb -0.15 -3.19 0.27 0.00 0.02 0.00 0.00 34.50 31.45 1xjm s PRO 406 CO 0.01 -0.46 1.83 -0.92 -0.33 0.00 0.00 177.00 177.13 1xjm h TYR 407 N 6.30 0.83 -1.20 6.54 5.03 -1.82 -3.19 116.97 129.47 1xjm h TYR 407 Ca -0.43 0.03 -0.75 0.00 2.58 0.00 0.00 58.73 60.16 1xjm h TYR 407 Cb 1.21 -0.26 -0.13 0.00 1.55 0.00 0.00 36.73 39.09 1xjm h TYR 407 CO 0.64 0.42 2.27 0.27 -1.32 0.00 0.00 178.16 180.45 1xjm n ASN 408 N -4.70 6.15 -3.68 -2.11 6.94 -1.26 -4.66 115.26 111.95 1xjm n ASN 408 Ca 0.10 -3.09 -0.15 0.00 -0.02 0.00 0.00 54.58 51.42 1xjm n ASN 408 Cb 0.16 -1.45 -0.08 0.00 -2.36 0.00 0.00 39.78 36.05 1xjm n ASN 408 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xjm s SER 409 N 0.82 -0.43 0.50 0.53 1.04 -1.21 -5.03 113.70 109.93 1xjm s SER 409 Ca 0.46 0.59 0.15 0.00 0.48 0.00 0.00 55.95 57.63 1xjm s SER 409 Cb 0.13 0.63 1.20 0.00 0.10 0.00 0.00 66.02 68.09 1xjm s SER 409 CO -0.03 -0.38 2.12 -0.61 0.98 0.00 0.00 173.24 175.31 1xjm h GLN 410 N 4.21 0.10 -0.24 4.02 5.75 -1.89 -2.85 115.11 124.20 1xjm h GLN 410 Ca -0.28 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.27 1xjm h GLN 410 Cb 1.17 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.64 1xjm h GLN 410 CO 0.32 0.06 -0.13 1.49 -2.65 0.00 0.00 178.83 177.93 1xjm h GLU 411 N 0.10 -0.10 -0.93 1.69 4.81 -1.95 -0.98 114.58 117.22 1xjm h GLU 411 Ca 0.05 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1xjm h GLU 411 Cb 0.06 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 1xjm h GLU 411 CO -0.01 -0.07 0.61 0.00 -0.73 0.00 0.00 179.01 178.82 1xjm h ALA 412 N 1.09 1.18 -0.12 2.92 0.00 -1.66 -0.31 119.26 122.36 1xjm h ALA 412 Ca 0.13 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1xjm h ALA 412 Cb 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1xjm h ALA 412 CO -0.31 0.56 -0.75 0.00 0.00 0.00 0.00 179.25 178.75 1xjm h ARG 413 N 1.24 0.62 -0.40 0.00 3.08 -1.47 0.92 114.38 118.37 1xjm h ARG 413 Ca 0.34 -0.50 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1xjm h ARG 413 Cb -0.13 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1xjm h ARG 413 CO -0.08 1.12 0.20 -0.44 -1.07 0.00 0.00 179.97 179.71 1xjm h ASP 414 N 0.42 0.51 -0.19 7.04 5.19 -0.98 -0.35 116.42 128.07 1xjm h ASP 414 Ca -0.04 -0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.28 1xjm h ASP 414 Cb 1.36 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1xjm h ASP 414 CO 0.14 0.48 0.06 0.15 -3.12 0.00 0.00 179.24 176.95 1xjm h PHE 415 N 0.51 0.11 -0.56 4.55 3.57 -0.96 -2.50 116.94 121.65 1xjm h PHE 415 Ca 0.14 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1xjm h PHE 415 Cb 0.09 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1xjm h PHE 415 CO -0.02 0.05 0.35 0.00 -2.23 0.00 0.00 178.31 176.46 1xjm h ALA 416 N 1.12 0.72 -0.61 2.41 0.00 -0.63 -0.20 119.26 122.07 1xjm h ALA 416 Ca 0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xjm h ALA 416 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xjm h ALA 416 CO -0.09 0.09 0.06 0.00 0.00 0.00 0.00 179.25 179.31 1xjm h ALA 417 N 1.23 0.81 -0.50 0.00 0.00 -0.98 -0.72 119.26 119.11 1xjm h ALA 417 Ca 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1xjm h ALA 417 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xjm h ALA 417 CO -0.08 0.60 0.14 -0.91 0.00 0.00 0.00 179.25 179.00 1xjm h ASN 418 N 0.94 0.74 0.26 0.00 2.35 -1.21 0.11 115.58 118.76 1xjm h ASN 418 Ca 0.18 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1xjm h ASN 418 Cb 0.48 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1xjm h ASN 418 CO 0.02 0.76 -0.12 0.25 -1.65 0.00 0.00 177.43 176.69 1xjm h LEU 419 N 0.68 -0.29 -0.34 1.61 5.85 -0.93 -0.48 115.31 121.41 1xjm h LEU 419 Ca 0.16 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1xjm h LEU 419 Cb 0.30 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1xjm h LEU 419 CO -0.00 -0.17 0.21 -0.03 -0.34 0.00 0.00 178.44 178.11 1xjm h MET 420 N -0.38 0.42 -0.75 1.25 4.05 -1.14 -1.60 114.93 116.79 1xjm h MET 420 Ca -0.04 -0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.48 1xjm h MET 420 Cb 0.29 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 30.91 1xjm h MET 420 CO 0.06 0.28 0.34 0.00 0.23 0.00 0.00 176.91 177.82 1xjm h ALA 421 N 1.13 1.06 -0.28 0.39 0.00 -0.72 0.25 119.26 121.08 1xjm h ALA 421 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1xjm h ALA 421 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xjm h ALA 421 CO -0.04 -0.12 0.13 0.35 0.00 0.00 0.00 179.25 179.57 1xjm h PHE 422 N 0.54 0.41 -0.41 0.00 3.57 -0.79 -0.10 116.94 120.16 1xjm h PHE 422 Ca 0.39 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 1xjm h PHE 422 Cb 0.52 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1xjm h PHE 422 CO -0.13 0.38 0.12 0.82 -2.23 0.00 0.00 178.31 177.27 1xjm h ILE 423 N 0.32 1.22 -0.19 1.41 2.04 -0.92 -2.53 117.51 118.85 1xjm h ILE 423 Ca 0.10 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.29 1xjm h ILE 423 Cb 0.12 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1xjm h ILE 423 CO -0.01 0.25 -0.12 0.00 0.00 0.00 0.00 178.15 178.27 1xjm h ALA 424 N 0.97 0.03 -0.30 1.87 0.00 -0.41 -0.20 119.26 121.23 1xjm h ALA 424 Ca 0.13 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1xjm h ALA 424 Cb 0.26 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1xjm h ALA 424 CO -0.00 -0.55 -0.22 1.25 0.00 0.00 0.00 179.25 179.73 1xjm h LEU 425 N -0.11 -0.73 0.00 0.00 5.85 -0.79 -1.60 115.31 117.92 1xjm h LEU 425 Ca 0.11 0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 1xjm h LEU 425 Cb 0.27 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1xjm h LEU 425 CO -0.26 -0.26 -0.60 0.45 -0.34 0.00 0.00 178.44 177.44 1xjm h HIS 426 N -0.20 0.00 0.20 1.25 3.86 -1.28 -1.21 115.15 117.78 1xjm h HIS 426 Ca 0.16 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1xjm h HIS 426 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1xjm h HIS 426 CO -0.41 0.55 -0.10 0.00 0.86 0.00 0.00 177.93 178.83 1xjm h ALA 427 N 1.45 -0.27 -0.16 2.45 0.00 -0.91 -1.46 119.26 120.35 1xjm h ALA 427 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1xjm h ALA 427 Cb 1.43 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1xjm h ALA 427 CO 0.07 -0.59 -0.47 0.45 0.00 0.00 0.00 179.25 178.71 1xjm h HIS 428 N -0.40 0.51 -0.33 0.00 -0.00 -1.23 -0.34 115.15 113.37 1xjm h HIS 428 Ca -0.03 -0.16 0.04 0.00 -0.00 0.00 0.00 60.37 60.22 1xjm h HIS 428 Cb 0.30 -0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 27.57 1xjm h HIS 428 CO -0.03 0.81 0.10 0.00 -0.00 0.00 0.00 177.93 178.81 1xjm h ARG 429 N 0.34 0.22 -0.48 2.45 3.08 -1.29 -1.13 114.38 117.56 1xjm h ARG 429 Ca 0.02 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1xjm h ARG 429 Cb 0.95 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1xjm h ARG 429 CO 0.08 0.15 0.15 1.15 -1.07 0.00 0.00 179.97 180.43 1xjm h THR 430 N 0.23 1.19 -0.53 2.04 2.02 -0.75 -1.61 112.91 115.50 1xjm h THR 430 Ca 0.15 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 1xjm h THR 430 Cb 0.14 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1xjm h THR 430 CO -0.17 0.25 -0.03 -1.28 0.37 0.00 0.00 175.52 174.66 1xjm h SER 431 N 0.69 0.90 0.35 4.18 0.87 -0.64 0.39 113.55 120.29 1xjm h SER 431 Ca 0.16 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1xjm h SER 431 Cb 0.21 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 1xjm h SER 431 CO -0.01 0.98 -0.50 0.22 -0.53 0.00 0.00 176.83 176.99 1xjm h TYR 432 N 0.84 -1.41 -0.90 2.24 3.20 -0.85 0.09 116.97 120.18 1xjm h TYR 432 Ca 0.15 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.21 1xjm h TYR 432 Cb 0.54 0.57 -0.10 0.00 1.54 0.00 0.00 36.73 39.28 1xjm h TYR 432 CO 0.03 -0.62 0.49 0.93 -1.64 0.00 0.00 178.16 177.35 1xjm h GLU 433 N -0.88 0.63 -0.31 1.82 5.08 -0.89 -2.03 114.58 117.99 1xjm h GLU 433 Ca -0.04 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1xjm h GLU 433 Cb 0.80 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1xjm h GLU 433 CO -0.14 0.42 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.88 1xjm h LEU 434 N 0.65 0.72 -0.71 1.33 4.07 -0.88 -0.84 115.31 119.65 1xjm h LEU 434 Ca 0.51 -0.30 -0.05 0.00 0.08 0.00 0.00 57.88 58.12 1xjm h LEU 434 Cb 0.77 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1xjm h LEU 434 CO -0.39 0.99 0.23 1.23 -1.08 0.00 0.00 178.44 179.43 1xjm h GLY 435 N 0.98 1.18 0.90 0.83 0.00 -0.69 0.20 103.07 106.47 1xjm h GLY 435 Ca 0.06 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1xjm h GLY 435 CO 0.07 0.65 0.09 1.70 0.00 0.00 0.00 176.54 179.05 1xjm h LYS 436 N 1.04 0.32 -0.13 4.80 3.64 -1.33 0.08 116.57 125.00 1xjm h LYS 436 Ca 0.23 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.39 1xjm h LYS 436 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1xjm h LYS 436 CO -0.01 0.36 -0.62 1.49 -2.27 0.00 0.00 179.45 178.41 1xjm h GLU 437 N 0.20 0.45 0.00 1.90 4.81 -0.84 -3.38 114.58 117.71 1xjm h GLU 437 Ca 0.07 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1xjm h GLU 437 Cb 0.16 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1xjm h GLU 437 CO -0.01 0.93 -0.05 1.63 -0.73 0.00 0.00 179.01 180.78 1xjm n LYS 438 N -3.91 4.91 0.00 1.92 5.02 0.66 -4.04 118.16 122.73 1xjm n LYS 438 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1xjm n LYS 438 Cb 0.64 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1xjm n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjm n GLY 439 N 0.81 2.69 3.78 0.72 0.00 0.01 -4.83 105.19 108.37 1xjm n GLY 439 Ca 0.00 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1xjm n GLY 439 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjm s ASN 440 N 0.00 4.60 0.22 1.61 0.01 -1.21 -4.34 114.94 115.83 1xjm s ASN 440 Ca 0.00 1.58 -0.30 0.00 -0.71 0.00 0.00 52.86 53.43 1xjm s ASN 440 Cb 0.00 -2.34 -0.09 0.00 0.41 0.00 0.00 41.25 39.23 1xjm s ASN 440 CO 0.00 -1.94 1.38 0.72 -1.51 0.00 0.00 177.10 175.75 1xjm s PHE 441 N -3.01 3.13 0.52 2.20 -0.71 -0.43 -4.85 117.98 114.83 1xjm s PHE 441 Ca 0.60 1.11 0.43 0.00 -1.04 0.00 0.00 56.93 58.03 1xjm s PHE 441 Cb -0.16 -3.72 1.64 0.00 -1.21 0.00 0.00 43.02 39.57 1xjm s PHE 441 CO 0.55 -2.33 1.61 -1.35 -1.34 0.00 0.00 175.22 172.37 1xjm h PRO 442 N 5.23 0.02 -0.57 1.99 0.11 -1.75 -0.59 132.00 136.44 1xjm h PRO 442 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xjm h PRO 442 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjm h PRO 442 CO 0.78 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 179.86 1xjm n LEU 443 N -4.18 4.23 -0.26 2.35 4.77 -1.13 -4.46 117.00 118.32 1xjm n LEU 443 Ca 0.40 -2.36 -0.04 0.00 -0.03 0.00 0.00 56.01 53.98 1xjm n LEU 443 Cb 1.77 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 42.38 1xjm n LEU 443 CO 0.37 0.81 0.61 0.25 -1.33 0.00 0.00 177.39 178.11 1xjm h LEU 444 N 3.51 -1.28 -1.11 2.23 6.46 -1.40 -2.67 115.31 121.05 1xjm h LEU 444 Ca 0.00 0.26 0.17 0.00 -0.12 0.00 0.00 57.88 58.18 1xjm h LEU 444 Cb 1.26 0.64 -0.09 0.00 -0.73 0.00 0.00 40.66 41.74 1xjm h LEU 444 CO 0.15 -0.30 0.61 -0.33 -0.62 0.00 0.00 178.44 177.96 1xjm h GLU 445 N -0.11 0.75 -0.07 1.25 3.07 -1.84 -0.99 114.58 116.63 1xjm h GLU 445 Ca 0.26 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 1xjm h GLU 445 Cb 0.57 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1xjm h GLU 445 CO -0.78 0.50 0.00 0.44 -1.40 0.00 0.00 179.01 177.77 1xjm n ILE 446 N -4.67 0.07 -2.95 3.13 -5.35 -1.03 -4.48 119.36 104.09 1xjm n ILE 446 Ca 0.21 -0.41 -0.30 0.00 -0.27 0.00 0.00 62.75 61.98 1xjm n ILE 446 Cb 0.52 0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 39.33 1xjm n ILE 446 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xjm s SER 447 N -1.90 6.48 0.44 7.28 1.04 -0.38 -4.84 113.70 121.82 1xjm s SER 447 Ca 0.33 1.01 0.30 0.00 0.48 0.00 0.00 55.95 58.08 1xjm s SER 447 Cb 0.20 -2.27 1.55 0.00 0.10 0.00 0.00 66.02 65.60 1xjm s SER 447 CO 0.31 -0.37 1.93 0.03 0.98 0.00 0.00 173.24 176.12 1xjm h ARG 448 N 1.25 0.00 -0.01 4.02 3.08 -0.25 0.63 114.38 123.10 1xjm h ARG 448 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1xjm h ARG 448 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1xjm h ARG 448 CO 0.64 0.00 -0.04 1.88 -1.07 0.00 0.00 179.97 181.38 1xjm h TYR 449 N 0.00 0.02 0.00 3.04 0.05 -1.85 -2.89 116.97 115.33 1xjm h TYR 449 Ca 0.00 -0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 1xjm h TYR 449 Cb 0.13 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 1xjm h TYR 449 CO 0.00 0.06 -1.27 0.54 -1.05 0.00 0.00 178.16 176.44 1xjm n ARG 450 N -4.48 0.53 0.00 4.88 5.12 0.14 -3.99 116.66 118.86 1xjm n ARG 450 Ca -0.03 0.43 0.09 0.00 -1.93 0.00 0.00 57.85 56.41 1xjm n ARG 450 Cb 0.13 -1.62 0.52 0.00 -1.16 0.00 0.00 32.46 30.34 1xjm n ARG 450 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1xjm n THR 451 N -4.45 0.00 -4.16 0.55 -2.24 -0.74 -4.81 114.28 98.43 1xjm n THR 451 Ca -0.26 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 1xjm n THR 451 Cb 0.57 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.37 1xjm n THR 451 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xjm s GLU 452 N -2.00 0.83 -0.12 -0.78 2.02 -1.09 -5.01 118.70 112.55 1xjm s GLU 452 Ca 0.26 -1.35 -0.03 0.00 0.02 0.00 0.00 54.97 53.87 1xjm s GLU 452 Cb 0.12 -0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.27 1xjm s GLU 452 CO 0.20 -0.09 -0.00 -0.51 0.02 0.00 0.00 175.26 174.88 1xjm s ASP 453 N -3.03 5.15 -0.05 -0.19 1.01 -1.26 -4.69 116.67 113.61 1xjm s ASP 453 Ca 0.14 0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.45 1xjm s ASP 453 Cb 0.06 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.35 1xjm s ASP 453 CO -0.04 0.28 0.00 0.59 0.21 0.00 0.00 175.17 176.21 1xjm n ASN 454 N 2.81 -3.15 -4.68 0.27 3.02 -1.26 -4.99 115.26 107.28 1xjm n ASN 454 Ca -0.18 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 53.96 1xjm n ASN 454 Cb 0.53 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 1xjm n ASN 454 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xjm s PHE 455 N -1.98 2.69 -0.07 3.10 5.36 -1.26 -5.02 117.98 120.79 1xjm s PHE 455 Ca 0.00 0.74 0.03 0.00 -0.96 0.00 0.00 56.93 56.74 1xjm s PHE 455 Cb 0.00 -3.67 0.01 0.00 -0.34 0.00 0.00 43.02 39.01 1xjm s PHE 455 CO 0.00 -2.54 -0.17 0.08 -1.46 0.00 0.00 175.22 171.13 1xjm s VAL 456 N 2.94 1.47 -1.33 3.12 1.01 -1.26 -4.84 120.40 121.50 1xjm s VAL 456 Ca 0.64 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1xjm s VAL 456 Cb -0.30 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1xjm s VAL 456 CO 0.25 0.43 0.51 -0.81 0.00 0.00 0.00 175.10 175.47 1xjm n PRO 457 N 3.59 0.77 -3.70 2.72 -0.04 -1.26 -4.77 135.00 132.30 1xjm n PRO 457 Ca -0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.16 1xjm n PRO 457 Cb 0.52 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.70 1xjm n PRO 457 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xjm s PHE 458 N -1.33 -0.26 0.10 0.54 -0.12 -1.26 -4.17 117.98 111.48 1xjm s PHE 458 Ca 0.00 -0.09 0.12 0.00 -0.05 0.00 0.00 56.93 56.91 1xjm s PHE 458 Cb 0.00 0.57 0.19 0.00 -0.63 0.00 0.00 43.02 43.15 1xjm s PHE 458 CO 0.00 -1.03 1.50 0.00 -0.05 0.00 0.00 175.22 175.64 1xjm h ALA 459 N 2.06 0.72 -0.57 1.99 0.00 -1.77 -3.49 119.26 118.20 1xjm h ALA 459 Ca -0.26 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1xjm h ALA 459 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xjm h ALA 459 CO 0.32 0.82 0.00 -1.33 0.00 0.00 0.00 179.25 179.05 1xjm n MET 460 N -3.46 0.00 -0.38 0.00 2.81 -0.07 -4.97 117.12 111.05 1xjm n MET 460 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1xjm n MET 460 Cb 0.72 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.23 1xjm n MET 460 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xjm n GLY 461 N 0.00 0.77 0.93 3.03 0.00 -1.26 -4.88 105.19 103.77 1xjm n GLY 461 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.67 1xjm n GLY 461 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xjm n MET 462 N -2.38 0.00 -3.59 1.61 2.81 -1.26 -5.12 117.12 109.19 1xjm n MET 462 Ca 0.00 -1.28 -0.16 0.00 -1.81 0.00 0.00 57.70 54.45 1xjm n MET 462 Cb 0.00 -0.17 -0.06 0.00 -0.71 0.00 0.00 33.22 32.28 1xjm n MET 462 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xjm s SER 463 N -1.28 -0.49 0.54 7.83 0.15 -1.26 -4.34 113.70 114.83 1xjm s SER 463 Ca 0.13 0.42 0.32 0.00 0.70 0.00 0.00 55.95 57.52 1xjm s SER 463 Cb 0.15 0.48 1.37 0.00 -1.71 0.00 0.00 66.02 66.31 1xjm s SER 463 CO -0.07 -0.61 1.99 -0.55 1.20 0.00 0.00 173.24 175.21 1xjm h ASN 464 N 3.13 0.00 0.72 5.45 7.08 -1.97 -3.10 115.58 126.89 1xjm h ASN 464 Ca -0.29 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.93 1xjm h ASN 464 Cb 1.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1xjm h ASN 464 CO 0.40 0.06 0.00 -1.22 -2.08 0.00 0.00 177.43 174.59 1xjm n TYR 465 N -3.21 0.00 -0.28 4.14 4.01 -1.26 -4.28 117.16 116.28 1xjm n TYR 465 Ca -0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 1xjm n TYR 465 Cb 0.31 -0.38 0.25 0.00 -0.31 0.00 0.00 39.34 39.20 1xjm n TYR 465 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xjm h ASP 466 N 0.00 0.06 -0.22 7.72 3.45 -1.94 -0.61 116.42 124.87 1xjm h ASP 466 Ca 0.00 0.17 -0.08 0.00 0.43 0.00 0.00 57.03 57.55 1xjm h ASP 466 Cb 0.36 0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1xjm h ASP 466 CO 0.00 -0.08 -0.18 0.44 -1.57 0.00 0.00 179.24 177.85 1xjm h ASP 467 N 0.27 0.54 -0.95 6.45 3.32 -1.88 -1.44 116.42 122.73 1xjm h ASP 467 Ca 0.50 -0.46 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1xjm h ASP 467 Cb 0.93 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 1xjm h ASP 467 CO -0.57 0.89 0.63 -0.33 -1.72 0.00 0.00 179.24 178.13 1xjm h GLU 468 N 0.21 1.20 -0.03 3.56 5.08 -1.73 -1.39 114.58 121.48 1xjm h GLU 468 Ca 0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xjm h GLU 468 Cb 0.72 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1xjm h GLU 468 CO 0.05 0.80 0.01 0.82 -1.00 0.00 0.00 179.01 179.68 1xjm h ILE 469 N 1.24 0.99 -0.82 3.13 2.04 -0.94 -1.02 117.51 122.13 1xjm h ILE 469 Ca 0.37 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 66.37 1xjm h ILE 469 Cb -0.06 0.97 -0.10 0.00 -0.74 0.00 0.00 36.82 36.89 1xjm h ILE 469 CO -0.10 0.00 0.38 0.03 0.00 0.00 0.00 178.15 178.46 1xjm h ARG 470 N 0.02 0.51 -0.39 2.37 3.08 -0.90 -0.28 114.38 118.80 1xjm h ARG 470 Ca 0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1xjm h ARG 470 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1xjm h ARG 470 CO -0.02 0.34 0.16 0.93 -1.07 0.00 0.00 179.97 180.31 1xjm h GLU 471 N 0.53 0.58 -0.58 0.04 4.39 -0.82 -2.04 114.58 116.67 1xjm h GLU 471 Ca 0.45 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 1xjm h GLU 471 Cb 0.68 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1xjm h GLU 471 CO -0.39 0.54 0.21 -0.24 -1.16 0.00 0.00 179.01 177.97 1xjm h VAL 472 N 0.48 1.22 -0.40 3.13 3.04 -0.54 -2.46 116.25 120.71 1xjm h VAL 472 Ca 0.13 -0.71 -0.09 0.00 -1.01 0.00 0.00 66.70 65.02 1xjm h VAL 472 Cb 0.18 0.55 -0.02 0.00 -2.01 0.00 0.00 31.29 29.99 1xjm h VAL 472 CO -0.01 0.28 -0.11 0.24 -1.01 0.00 0.00 177.57 176.96 1xjm h MET 473 N 0.84 0.71 -0.29 4.17 2.86 -0.53 -2.19 114.93 120.50 1xjm h MET 473 Ca 0.20 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1xjm h MET 473 Cb 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1xjm h MET 473 CO -0.01 0.80 -0.04 -0.22 1.06 0.00 0.00 176.91 178.49 1xjm h LYS 474 N 0.64 0.54 -0.57 1.72 3.64 -1.27 -2.89 116.57 118.39 1xjm h LYS 474 Ca 0.11 -0.20 0.12 0.00 -1.27 0.00 0.00 60.65 59.41 1xjm h LYS 474 Cb 0.56 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 1xjm h LYS 474 CO 0.03 0.72 0.39 0.52 -2.27 0.00 0.00 179.45 178.85 1xjm h MET 475 N 0.32 0.26 -0.01 1.90 2.86 -1.18 -2.01 114.93 117.06 1xjm h MET 475 Ca 0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1xjm h MET 475 Cb 0.51 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1xjm h MET 475 CO 0.02 0.17 0.00 0.25 1.06 0.00 0.00 176.91 178.41 1xjm n THR 476 N -4.45 0.01 -0.08 2.22 -2.24 -0.85 -2.47 114.28 106.42 1xjm n THR 476 Ca 0.10 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.85 1xjm n THR 476 Cb 0.45 -0.27 0.24 0.00 -2.10 0.00 0.00 70.33 68.66 1xjm n THR 476 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xjm h LYS 477 N 0.08 0.71 0.00 -0.78 3.64 -1.41 -3.36 116.57 115.45 1xjm h LYS 477 Ca 0.00 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1xjm h LYS 477 Cb 0.02 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1xjm h LYS 477 CO 0.00 0.66 -0.28 0.93 -2.27 0.00 0.00 179.45 178.49 1xjm h GLU 478 N 0.69 0.00 -5.26 1.90 4.39 -1.69 -3.43 114.58 111.17 1xjm h GLU 478 Ca 0.15 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.19 1xjm h GLU 478 Cb 0.28 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.60 1xjm h GLU 478 CO -0.00 0.19 -0.87 -0.06 -1.16 0.00 0.00 179.01 177.11 1xjm s PHE 479 N -1.92 2.43 -0.30 4.33 0.08 -1.23 -5.00 117.98 116.37 1xjm s PHE 479 Ca -0.09 -0.99 -0.07 0.00 0.12 0.00 0.00 56.93 55.90 1xjm s PHE 479 Cb 0.01 -1.64 0.16 0.00 -0.57 0.00 0.00 43.02 40.98 1xjm s PHE 479 CO 0.20 -0.40 0.67 0.50 -0.10 0.00 0.00 175.22 176.09 1xjm s ARG 480 N 0.37 0.54 0.26 0.44 3.52 -1.26 -4.18 118.95 118.64 1xjm s ARG 480 Ca -0.18 1.21 0.13 0.00 -0.13 0.00 0.00 55.73 56.76 1xjm s ARG 480 Cb -0.18 0.71 0.19 0.00 -1.56 0.00 0.00 34.95 34.12 1xjm s ARG 480 CO 0.08 -0.34 1.50 -0.09 -0.81 0.00 0.00 175.30 175.64 1xjm h ARG 481 N 7.96 0.00 -3.97 5.12 9.65 -1.28 -1.14 114.38 130.72 1xjm h ARG 481 Ca -0.19 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.45 1xjm h ARG 481 Cb 1.12 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 29.45 1xjm h ARG 481 CO 0.15 0.63 -0.72 -0.80 2.80 0.00 0.00 179.97 182.03 1xjm s ASN 482 N -6.59 0.25 0.33 -3.80 -0.87 -1.26 -3.63 114.94 99.37 1xjm s ASN 482 Ca 0.01 -0.20 0.09 0.00 -1.57 0.00 0.00 52.86 51.20 1xjm s ASN 482 Cb 0.10 0.02 0.58 0.00 -0.02 0.00 0.00 41.25 41.93 1xjm s ASN 482 CO 0.75 -0.08 1.77 1.62 -2.57 0.00 0.00 177.10 178.59 1xjm h VAL 483 N 4.94 1.29 -2.02 1.60 3.04 -1.37 -3.46 116.25 120.26 1xjm h VAL 483 Ca -0.28 -1.37 -0.01 0.00 -1.01 0.00 0.00 66.70 64.02 1xjm h VAL 483 Cb 1.21 1.65 -0.19 0.00 -2.01 0.00 0.00 31.29 31.94 1xjm h VAL 483 CO 0.47 0.40 0.29 0.00 -1.01 0.00 0.00 177.57 177.73 1xjm s ALA 484 N -4.21 -1.79 0.00 3.17 0.00 -1.26 -4.78 121.76 112.89 1xjm s ALA 484 Ca -0.04 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1xjm s ALA 484 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1xjm s ALA 484 CO 0.75 -0.41 0.00 1.28 0.00 0.00 0.00 175.76 177.38 1xjm n LEU 485 N 0.67 0.00 -4.11 0.00 4.32 -1.24 -0.74 117.00 115.91 1xjm n LEU 485 Ca -0.16 -0.16 -0.17 0.00 -0.02 0.00 0.00 56.01 55.50 1xjm n LEU 485 Cb 0.58 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.26 1xjm n LEU 485 CO 0.20 0.00 -0.44 -0.76 -1.22 0.00 0.00 177.39 175.17 1xjm s LEU 486 N -1.23 2.20 0.26 2.23 1.43 -1.19 0.13 118.68 122.52 1xjm s LEU 486 Ca 0.00 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.44 1xjm s LEU 486 Cb 0.00 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 45.81 1xjm s LEU 486 CO 0.00 -0.06 0.62 0.28 0.23 0.00 0.00 176.35 177.42 1xjm s THR 487 N -1.03 0.00 -0.19 5.49 -1.32 0.32 -2.15 115.64 116.76 1xjm s THR 487 Ca -0.02 -1.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.38 1xjm s THR 487 Cb -0.08 -2.00 0.03 0.00 -1.51 0.00 0.00 72.50 68.94 1xjm s THR 487 CO 0.01 -0.01 -0.18 -0.63 -2.21 0.00 0.00 174.62 171.60 1xjm s ILE 488 N -3.94 2.04 0.54 5.08 -1.09 -1.21 -3.42 121.20 119.19 1xjm s ILE 488 Ca 0.14 -1.06 0.00 0.00 -2.23 0.00 0.00 60.65 57.51 1xjm s ILE 488 Cb -0.04 -1.91 0.03 0.00 -1.58 0.00 0.00 42.46 38.96 1xjm s ILE 488 CO 0.06 0.41 0.77 0.00 -1.23 0.00 0.00 174.94 174.96 1xjm s ALA 489 N 1.27 3.79 0.37 9.38 0.00 -1.26 -0.97 121.76 134.34 1xjm s ALA 489 Ca 0.02 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 50.85 1xjm s ALA 489 Cb -0.14 -2.15 0.71 0.00 0.00 0.00 0.00 23.12 21.54 1xjm s ALA 489 CO -0.11 -0.70 1.89 -1.35 0.00 0.00 0.00 175.76 175.49 1xjm h PRO 490 N 0.09 0.32 -3.71 0.00 0.11 -1.94 -3.39 132.00 123.49 1xjm h PRO 490 Ca -0.43 -0.08 -0.22 0.00 0.11 0.00 0.00 66.00 65.38 1xjm h PRO 490 Cb 1.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1xjm h PRO 490 CO 0.54 0.44 -0.27 0.25 -0.21 0.00 0.00 178.00 178.75 1xjm n THR 491 N -4.26 -0.47 -0.17 -1.15 -2.24 -1.26 -3.77 114.28 100.96 1xjm n THR 491 Ca -0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1xjm n THR 491 Cb 0.27 -1.51 -0.04 0.00 -2.10 0.00 0.00 70.33 66.95 1xjm n THR 491 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xjm n GLY 492 N -0.71 -2.74 0.15 3.38 0.00 -1.26 -1.54 105.19 102.48 1xjm n GLY 492 Ca -0.13 0.79 -0.24 0.00 0.00 0.00 0.00 46.02 46.44 1xjm n GLY 492 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xjm h SER 493 N 0.00 0.86 0.72 1.61 0.02 -2.00 -3.09 113.55 111.67 1xjm h SER 493 Ca 0.06 -0.90 -0.13 0.00 -0.84 0.00 0.00 61.79 59.99 1xjm h SER 493 Cb 0.16 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1xjm h SER 493 CO -0.37 1.69 -0.62 0.16 -1.14 0.00 0.00 176.83 176.55 1xjm h ILE 494 N 0.17 1.37 -0.31 3.27 3.07 -1.93 0.03 117.51 123.16 1xjm h ILE 494 Ca -0.24 -2.17 -0.12 0.00 1.55 0.00 0.00 64.86 63.88 1xjm h ILE 494 Cb 2.10 2.19 -0.01 0.00 -0.27 0.00 0.00 36.82 40.83 1xjm h ILE 494 CO 0.27 0.60 -0.30 0.77 -1.05 0.00 0.00 178.15 178.44 1xjm h SER 495 N 0.00 0.68 0.07 2.16 4.64 -1.41 -0.22 113.55 119.47 1xjm h SER 495 Ca -0.01 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1xjm h SER 495 Cb 1.14 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1xjm h SER 495 CO 0.08 0.94 -0.13 0.78 -0.87 0.00 0.00 176.83 177.63 1xjm h ASN 496 N 0.57 -0.36 -0.80 4.97 2.35 -1.27 -0.98 115.58 120.06 1xjm h ASN 496 Ca 0.07 0.04 0.13 0.00 -0.55 0.00 0.00 56.30 55.99 1xjm h ASN 496 Cb 0.80 0.14 -0.09 0.00 0.05 0.00 0.00 38.32 39.22 1xjm h ASN 496 CO 0.07 -0.19 0.40 0.40 -1.65 0.00 0.00 177.43 176.46 1xjm h ILE 497 N -0.25 0.77 -0.03 2.81 2.04 -0.90 -1.78 117.51 120.16 1xjm h ILE 497 Ca 0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1xjm h ILE 497 Cb 0.27 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1xjm h ILE 497 CO -0.08 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.18 1xjm n ALA 498 N -2.43 2.59 -3.87 1.87 0.00 -0.11 -4.85 120.51 113.73 1xjm n ALA 498 Ca 0.15 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 53.12 1xjm n ALA 498 Cb 0.38 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 1xjm n ALA 498 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xjm n ASP 499 N -0.55 -1.39 -3.81 0.00 8.00 -0.59 -4.98 116.55 113.23 1xjm n ASP 499 Ca 0.15 -0.98 -0.13 0.00 0.71 0.00 0.00 54.79 54.53 1xjm n ASP 499 Cb 0.12 -3.25 -0.07 0.00 -0.02 0.00 0.00 41.12 37.91 1xjm n ASP 499 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xjm s THR 500 N -3.82 0.00 0.63 -3.53 -1.32 -0.48 -5.04 115.64 102.08 1xjm s THR 500 Ca 0.09 -1.76 -0.11 0.00 -1.21 0.00 0.00 61.69 58.70 1xjm s THR 500 Cb -0.03 -2.46 -0.03 0.00 -1.51 0.00 0.00 72.50 68.46 1xjm s THR 500 CO 0.87 0.00 1.03 -0.94 -2.21 0.00 0.00 174.62 173.38 1xjm s SER 501 N -3.17 6.06 -0.07 8.08 1.04 -1.26 -4.41 113.70 119.95 1xjm s SER 501 Ca 0.33 1.48 -0.23 0.00 0.48 0.00 0.00 55.95 58.02 1xjm s SER 501 Cb 0.03 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1xjm s SER 501 CO 0.15 -0.99 0.68 -0.44 0.98 0.00 0.00 173.24 173.63 1xjm s SER 502 N -3.99 6.95 0.47 7.02 0.01 -1.26 0.10 113.70 123.01 1xjm s SER 502 Ca 0.56 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.97 1xjm s SER 502 Cb -0.12 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1xjm s SER 502 CO 0.52 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.67 1xjm n GLY 503 N 3.13 2.31 0.99 3.44 0.00 -1.25 -1.54 105.19 112.27 1xjm n GLY 503 Ca -0.02 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1xjm n GLY 503 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xjm n LEU 504 N 0.00 2.95 -4.76 0.99 -0.00 -1.26 -3.45 117.00 111.46 1xjm n LEU 504 Ca 0.00 -1.27 -0.40 0.00 -0.00 0.00 0.00 56.01 54.34 1xjm n LEU 504 Cb 0.00 -0.21 -0.03 0.00 -0.00 0.00 0.00 43.42 43.17 1xjm n LEU 504 CO 0.00 0.63 0.85 -1.61 -0.00 0.00 0.00 177.39 177.27 1xjm s GLU 505 N -1.57 4.41 0.96 1.47 0.41 -0.59 -4.74 118.70 119.05 1xjm s GLU 505 Ca 0.37 1.92 -0.11 0.00 -0.41 0.00 0.00 54.97 56.73 1xjm s GLU 505 Cb 0.21 -3.02 0.17 0.00 -1.78 0.00 0.00 34.13 29.71 1xjm s GLU 505 CO 0.30 -0.03 1.09 -1.25 -0.49 0.00 0.00 175.26 174.88 1xjm s PRO 506 N -1.77 0.71 0.26 0.39 0.04 -1.26 -4.29 135.00 129.07 1xjm s PRO 506 Ca 0.49 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1xjm s PRO 506 Cb -0.33 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1xjm s PRO 506 CO 0.43 -2.67 1.37 -0.80 0.04 0.00 0.00 177.00 175.36 1xjm s ASN 507 N -3.01 6.76 0.06 6.66 0.01 -1.26 -4.64 114.94 119.52 1xjm s ASN 507 Ca 0.65 2.59 -0.16 0.00 -0.71 0.00 0.00 52.86 55.23 1xjm s ASN 507 Cb -0.21 -2.63 -0.17 0.00 0.41 0.00 0.00 41.25 38.65 1xjm s ASN 507 CO 0.59 -0.60 1.25 0.15 -1.51 0.00 0.00 177.10 176.98 1xjm h PHE 508 N 4.71 0.83 -3.92 2.20 3.04 -1.94 0.13 116.94 121.99 1xjm h PHE 508 Ca -0.46 -0.37 -0.26 0.00 3.98 0.00 0.00 57.97 60.86 1xjm h PHE 508 Cb 1.22 -0.13 -0.24 0.00 2.56 0.00 0.00 35.95 39.36 1xjm h PHE 508 CO 0.60 1.16 -0.73 -0.51 -2.02 0.00 0.00 178.31 176.81 1xjm s LEU 509 N -8.53 2.14 0.25 0.59 1.43 -1.26 -4.08 118.68 109.22 1xjm s LEU 509 Ca -0.12 -0.32 0.18 0.00 -1.03 0.00 0.00 54.13 52.84 1xjm s LEU 509 Cb 0.07 -0.12 0.06 0.00 0.03 0.00 0.00 46.19 46.22 1xjm s LEU 509 CO 0.85 -0.11 1.27 -0.07 0.23 0.00 0.00 176.35 178.53 1xjm h LEU 510 N 5.22 0.00 -7.24 1.79 3.38 -1.88 -3.47 115.31 113.11 1xjm h LEU 510 Ca -0.31 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.55 1xjm h LEU 510 Cb 1.20 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.71 1xjm h LEU 510 CO 0.45 0.36 -0.22 0.00 0.09 0.00 0.00 178.44 179.12 1xjm s ALA 511 N -3.05 -1.12 0.15 1.53 0.00 -1.26 -0.90 121.76 117.11 1xjm s ALA 511 Ca 0.02 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 1xjm s ALA 511 Cb 0.08 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.38 1xjm s ALA 511 CO 0.75 -0.24 0.40 1.52 0.00 0.00 0.00 175.76 178.19 1xjm s TYR 512 N 0.72 -0.01 -0.37 0.00 -0.85 -1.08 -4.66 117.35 111.11 1xjm s TYR 512 Ca -0.04 -0.34 -0.17 0.00 -0.52 0.00 0.00 57.07 56.01 1xjm s TYR 512 Cb -0.05 0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.49 1xjm s TYR 512 CO -0.05 -0.76 0.44 0.99 -1.52 0.00 0.00 175.55 174.64 1xjm s THR 513 N -3.87 5.09 -0.35 -3.49 2.01 -1.26 -0.98 115.64 112.79 1xjm s THR 513 Ca 0.08 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 1xjm s THR 513 Cb 0.02 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 1xjm s THR 513 CO -0.06 -0.23 0.24 0.00 -0.69 0.00 0.00 174.62 173.87 1xjm s ARG 514 N 2.19 3.33 -0.26 4.92 3.03 0.41 -4.92 118.95 127.65 1xjm s ARG 514 Ca 0.14 -0.75 -0.26 0.00 2.03 0.00 0.00 55.73 56.89 1xjm s ARG 514 Cb -0.16 -3.81 0.00 0.00 -1.03 0.00 0.00 34.95 29.95 1xjm s ARG 514 CO 0.13 -0.52 0.88 -0.06 -1.13 0.00 0.00 175.30 174.61 1xjm s PHE 515 N 1.69 3.27 -0.23 5.89 0.40 -1.26 -3.21 117.98 124.53 1xjm s PHE 515 Ca 0.05 1.12 -0.16 0.00 -0.60 0.00 0.00 56.93 57.35 1xjm s PHE 515 Cb -0.18 -3.20 -0.04 0.00 0.51 0.00 0.00 43.02 40.11 1xjm s PHE 515 CO 0.10 -0.50 0.41 0.14 0.70 0.00 0.00 175.22 176.07 1xjm s VAL 516 N 3.03 5.17 -0.75 -0.44 -7.23 -0.84 -4.86 120.40 114.48 1xjm s VAL 516 Ca 0.37 0.70 -0.27 0.00 -1.81 0.00 0.00 61.98 60.97 1xjm s VAL 516 Cb -0.15 -3.74 0.03 0.00 0.56 0.00 0.00 36.38 33.09 1xjm s VAL 516 CO 0.09 0.20 1.29 -0.89 -0.31 0.00 0.00 175.10 175.48 1xjm s THR 517 N 1.67 3.73 -0.04 5.32 2.01 -1.26 0.57 115.64 127.63 1xjm s THR 517 Ca 0.18 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 1xjm s THR 517 Cb -0.15 -4.92 -0.04 0.00 0.01 0.00 0.00 72.50 67.40 1xjm s THR 517 CO 0.09 -1.86 1.31 -0.75 -0.69 0.00 0.00 174.62 172.72 1xjm s LYS 518 N 5.72 4.30 0.00 4.92 2.20 -1.26 -4.91 119.74 130.70 1xjm s LYS 518 Ca 0.35 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 1xjm s LYS 518 Cb -0.08 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1xjm s LYS 518 CO 0.14 -0.55 0.49 0.39 -0.36 0.00 0.00 175.35 175.47 1xjm n GLU 519 N 5.51 0.00 0.00 4.03 4.71 -1.26 -1.99 120.64 131.64 1xjm n GLU 519 Ca 0.12 0.49 0.00 0.00 -0.01 0.00 0.00 57.16 57.77 1xjm n GLU 519 Cb 0.45 -0.85 0.00 0.00 -1.01 0.00 0.00 31.44 30.03 1xjm n GLU 519 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xjm n ASP 520 N -1.59 0.00 0.00 1.62 9.92 -1.26 -4.82 116.55 120.42 1xjm n ASP 520 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1xjm n ASP 520 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1xjm n ASP 520 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xjm n GLY 521 N 0.00 -1.03 0.97 0.44 0.00 -1.04 -4.90 105.19 99.64 1xjm n GLY 521 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1xjm n GLY 521 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xjm n THR 522 N -0.55 0.00 0.00 2.61 5.66 -0.84 -5.03 114.28 116.12 1xjm n THR 522 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1xjm n THR 522 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1xjm n THR 522 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1xjm n LYS 523 N -2.71 0.00 -4.27 1.09 4.81 -1.26 -4.35 118.16 111.48 1xjm n LYS 523 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1xjm n LYS 523 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1xjm n LYS 523 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1xjm s GLU 524 N 0.00 3.57 -0.68 1.64 2.56 0.19 -4.90 118.70 121.08 1xjm s GLU 524 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 54.97 54.28 1xjm s GLU 524 Cb 0.00 -2.98 -0.00 0.00 2.00 0.00 0.00 34.13 33.15 1xjm s GLU 524 CO 0.00 0.39 1.63 -2.14 -0.56 0.00 0.00 175.26 174.58 1xjm s PRO 525 N -0.01 2.86 -0.23 4.30 0.02 -1.26 -1.98 135.00 138.70 1xjm s PRO 525 Ca 0.03 0.20 -0.06 0.00 0.02 0.00 0.00 61.00 61.18 1xjm s PRO 525 Cb -0.13 -4.37 -0.03 0.00 0.02 0.00 0.00 34.50 30.00 1xjm s PRO 525 CO 0.02 -2.53 0.04 -1.17 -0.33 0.00 0.00 177.00 173.03 1xjm s LEU 526 N 7.74 3.35 -0.01 -5.54 2.96 -1.20 -5.01 118.68 120.97 1xjm s LEU 526 Ca 0.54 -0.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 1xjm s LEU 526 Cb -0.10 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 1xjm s LEU 526 CO 0.17 -0.01 1.05 -0.22 -1.32 0.00 0.00 176.35 176.02 1xjm s LEU 527 N 1.44 4.34 -0.17 -0.68 2.96 -1.26 -0.45 118.68 124.86 1xjm s LEU 527 Ca 0.05 1.72 -0.07 0.00 -0.22 0.00 0.00 54.13 55.61 1xjm s LEU 527 Cb -0.15 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1xjm s LEU 527 CO 0.02 -0.36 0.06 -0.47 -1.32 0.00 0.00 176.35 174.28 1xjm s TYR 528 N 1.29 3.25 -0.06 5.38 5.04 -0.15 -4.92 117.35 127.18 1xjm s TYR 528 Ca 0.53 0.09 0.05 0.00 -2.44 0.00 0.00 57.07 55.30 1xjm s TYR 528 Cb -0.23 -2.06 -0.01 0.00 0.35 0.00 0.00 41.96 40.02 1xjm s TYR 528 CO 0.26 0.19 -0.22 0.08 -1.34 0.00 0.00 175.55 174.51 1xjm s VAL 529 N 0.25 1.86 -0.08 3.14 1.01 -1.26 -2.64 120.40 122.69 1xjm s VAL 529 Ca 0.04 -0.95 -0.37 0.00 0.00 0.00 0.00 61.98 60.70 1xjm s VAL 529 Cb -0.12 -1.59 -0.18 0.00 0.00 0.00 0.00 36.38 34.48 1xjm s VAL 529 CO 0.00 0.52 1.05 -3.20 0.00 0.00 0.00 175.10 173.48 1xjm n ASN 530 N 3.14 0.18 -0.16 3.32 2.85 -0.08 -4.78 115.26 119.73 1xjm n ASN 530 Ca -0.18 1.06 -0.05 0.00 -0.11 0.00 0.00 54.58 55.30 1xjm n ASN 530 Cb 0.52 -0.83 0.05 0.00 1.24 0.00 0.00 39.78 40.76 1xjm n ASN 530 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xjm h GLN 531 N 3.03 0.48 -0.53 1.20 5.75 -1.98 -0.40 115.11 122.65 1xjm h GLN 531 Ca -0.45 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 57.94 1xjm h GLN 531 Cb 1.29 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.71 1xjm h GLN 531 CO 0.64 0.31 -0.01 0.28 -2.65 0.00 0.00 178.83 177.41 1xjm h VAL 532 N 0.49 1.26 -0.29 2.39 2.07 -1.96 -1.73 116.25 118.47 1xjm h VAL 532 Ca 0.22 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1xjm h VAL 532 Cb 0.12 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1xjm h VAL 532 CO -0.15 0.39 0.17 0.25 0.02 0.00 0.00 177.57 178.24 1xjm h LEU 533 N 0.84 0.36 -1.07 2.57 5.85 -1.86 -2.37 115.31 119.63 1xjm h LEU 533 Ca 0.16 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1xjm h LEU 533 Cb 0.51 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1xjm h LEU 533 CO 0.03 0.33 0.62 -0.09 -0.34 0.00 0.00 178.44 178.98 1xjm h ARG 534 N 0.36 0.92 0.00 1.25 2.43 -0.51 -1.80 114.38 117.03 1xjm h ARG 534 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1xjm h ARG 534 Cb 0.04 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1xjm h ARG 534 CO -0.02 0.61 -0.48 1.05 -1.51 0.00 0.00 179.97 179.62 1xjm h GLU 535 N 0.94 0.00 0.00 0.20 4.11 -1.08 -3.37 114.58 115.39 1xjm h GLU 535 Ca 0.48 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 59.49 1xjm h GLU 535 Cb 0.52 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 1xjm h GLU 535 CO -0.25 0.00 -2.51 1.63 0.07 0.00 0.00 179.01 177.95 1xjm n LYS 536 N -2.28 0.62 -2.22 1.06 4.76 -0.92 -4.96 118.16 114.23 1xjm n LYS 536 Ca 0.03 0.20 -0.42 0.00 -2.87 0.00 0.00 58.31 55.25 1xjm n LYS 536 Cb 0.46 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 1xjm n LYS 536 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xjm s LEU 537 N -6.95 4.35 -0.44 -0.35 2.96 -0.70 -4.96 118.68 112.59 1xjm s LEU 537 Ca -0.37 2.22 -0.43 0.00 -0.22 0.00 0.00 54.13 55.33 1xjm s LEU 537 Cb 0.12 -3.58 -0.18 0.00 0.50 0.00 0.00 46.19 43.05 1xjm s LEU 537 CO 0.55 -0.65 1.91 -3.20 -1.32 0.00 0.00 176.35 173.64 1xjm n ASN 538 N 4.41 1.37 0.15 3.68 5.15 -1.26 -4.84 115.26 123.92 1xjm n ASN 538 Ca 0.12 0.87 0.19 0.00 -0.60 0.00 0.00 54.58 55.16 1xjm n ASN 538 Cb 0.43 -0.98 0.74 0.00 -0.53 0.00 0.00 39.78 39.44 1xjm n ASN 538 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1xjm h PRO 539 N 7.88 0.00 0.15 1.20 0.11 -1.93 -0.08 132.00 139.34 1xjm h PRO 539 Ca -0.29 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.52 1xjm h PRO 539 Cb 1.37 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.49 1xjm h PRO 539 CO 1.02 0.00 -1.41 1.49 -0.21 0.00 0.00 178.00 178.90 1xjm h GLU 540 N 0.00 0.31 -0.48 1.05 4.81 -2.00 -2.92 114.58 115.36 1xjm h GLU 540 Ca 0.15 -0.53 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1xjm h GLU 540 Cb 1.03 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1xjm h GLU 540 CO -0.00 1.22 0.29 0.82 -0.73 0.00 0.00 179.01 180.61 1xjm h ILE 541 N 0.09 1.07 -0.61 2.32 2.04 -1.42 -2.81 117.51 118.18 1xjm h ILE 541 Ca -0.20 -0.20 0.12 0.00 1.00 0.00 0.00 64.86 65.57 1xjm h ILE 541 Cb 2.03 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 38.45 1xjm h ILE 541 CO 0.20 0.11 0.14 0.25 0.00 0.00 0.00 178.15 178.85 1xjm h LEU 542 N 0.59 0.03 -0.17 1.44 6.46 -1.40 -1.82 115.31 120.44 1xjm h LEU 542 Ca 0.19 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1xjm h LEU 542 Cb -0.01 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1xjm h LEU 542 CO -0.07 0.02 0.06 0.50 -0.62 0.00 0.00 178.44 178.33 1xjm h LYS 543 N 0.28 0.27 0.00 1.25 1.63 -1.40 0.12 116.57 118.71 1xjm h LYS 543 Ca 0.32 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1xjm h LYS 543 Cb 0.48 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1xjm h LYS 543 CO -0.40 0.37 0.00 0.54 -3.45 0.00 0.00 179.45 176.50 1xjm n ARG 544 N -4.83 0.00 0.24 1.90 1.74 -1.07 -3.85 116.66 110.80 1xjm n ARG 544 Ca -0.04 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.70 1xjm n ARG 544 Cb 0.14 -1.34 0.56 0.00 -1.02 0.00 0.00 32.46 30.80 1xjm n ARG 544 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1xjm h ILE 545 N 0.00 0.38 -0.57 0.55 -2.65 -1.33 -3.33 117.51 110.56 1xjm h ILE 545 Ca 0.00 -0.87 0.14 0.00 1.03 0.00 0.00 64.86 65.16 1xjm h ILE 545 Cb 0.00 1.64 -0.11 0.00 -2.05 0.00 0.00 36.82 36.30 1xjm h ILE 545 CO 0.00 0.14 -0.03 1.21 0.03 0.00 0.00 178.15 179.50 1xjm n GLU 546 N -3.32 -0.05 -0.08 0.16 0.00 0.42 -0.16 120.64 117.61 1xjm n GLU 546 Ca 0.00 0.86 -0.13 0.00 0.00 0.00 0.00 57.16 57.90 1xjm n GLU 546 Cb 0.37 -1.35 -0.05 0.00 0.00 0.00 0.00 31.44 30.41 1xjm n GLU 546 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1xjm h LYS 547 N 0.00 0.52 -0.21 5.31 1.57 -1.81 -2.88 116.57 119.06 1xjm h LYS 547 Ca 0.32 -0.26 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1xjm h LYS 547 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1xjm h LYS 547 CO -0.55 0.83 -0.30 1.49 -0.57 0.00 0.00 179.45 180.35 1xjm h GLU 548 N 0.21 0.42 -0.72 3.15 4.81 -0.82 -2.80 114.58 118.84 1xjm h GLU 548 Ca 0.04 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1xjm h GLU 548 Cb 0.71 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 1xjm h GLU 548 CO 0.05 0.68 0.34 1.25 -0.73 0.00 0.00 179.01 180.60 1xjm h LEU 549 N 0.37 0.94 -0.91 1.64 5.85 -1.11 -0.70 115.31 121.39 1xjm h LEU 549 Ca 0.05 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 1xjm h LEU 549 Cb 0.71 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1xjm h LEU 549 CO 0.05 0.81 -0.41 0.40 -0.34 0.00 0.00 178.44 178.95 1xjm h ILE 550 N 1.00 1.31 -0.03 4.05 2.04 -1.41 0.17 117.51 124.64 1xjm h ILE 550 Ca 0.25 -1.53 -0.21 0.00 1.00 0.00 0.00 64.86 64.36 1xjm h ILE 550 Cb 0.12 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1xjm h ILE 550 CO -0.03 0.46 -0.86 -0.08 0.00 0.00 0.00 178.15 177.64 1xjm h GLU 551 N 0.23 0.40 0.00 2.37 4.57 -1.25 -3.38 114.58 117.53 1xjm h GLU 551 Ca 0.02 -0.39 -0.14 0.00 -1.18 0.00 0.00 59.36 57.67 1xjm h GLU 551 Cb 0.83 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.50 1xjm h GLU 551 CO 0.07 1.05 -2.10 1.63 -1.18 0.00 0.00 179.01 178.48 1xjm n LYS 552 N -3.78 0.71 -0.99 1.92 5.02 -0.29 -5.01 118.16 115.75 1xjm n LYS 552 Ca -0.06 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1xjm n LYS 552 Cb 0.79 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1xjm n LYS 552 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjm n GLY 553 N 1.51 0.45 3.41 0.72 0.00 0.04 -4.99 105.19 106.34 1xjm n GLY 553 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1xjm n GLY 553 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xjm s SER 554 N -2.10 -0.41 0.00 1.61 0.15 -1.25 -4.79 113.70 106.91 1xjm s SER 554 Ca 0.00 -0.17 0.25 0.00 0.70 0.00 0.00 55.95 56.72 1xjm s SER 554 Cb 0.00 0.56 0.43 0.00 -1.71 0.00 0.00 66.02 65.29 1xjm s SER 554 CO 0.00 -0.95 1.36 0.18 1.20 0.00 0.00 173.24 175.03 1xjm n LEU 555 N -0.33 0.55 -0.31 3.45 4.77 -1.26 -4.66 117.00 119.22 1xjm n LEU 555 Ca -0.16 -0.04 0.05 0.00 -0.03 0.00 0.00 56.01 55.83 1xjm n LEU 555 Cb 0.64 -0.22 0.25 0.00 -2.33 0.00 0.00 43.42 41.76 1xjm n LEU 555 CO 0.14 0.13 1.25 0.07 -1.33 0.00 0.00 177.39 177.65 1xjm h LYS 556 N 0.00 0.97 -0.55 3.23 2.10 -1.93 -1.70 116.57 118.69 1xjm h LYS 556 Ca 0.00 -0.06 -0.35 0.00 -2.00 0.00 0.00 60.65 58.24 1xjm h LYS 556 Cb 0.51 -0.22 -0.22 0.00 -0.90 0.00 0.00 32.23 31.40 1xjm h LYS 556 CO 0.00 0.64 -0.15 -0.25 -2.00 0.00 0.00 179.45 177.69 1xjm n ASP 557 N -4.51 3.85 -4.70 7.07 8.00 -1.26 -4.96 116.55 120.04 1xjm n ASP 557 Ca 0.15 -3.79 -0.36 0.00 0.71 0.00 0.00 54.79 51.50 1xjm n ASP 557 Cb 0.24 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 40.65 1xjm n ASP 557 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjm s ILE 558 N -3.84 5.37 0.40 0.53 1.01 -0.64 -5.08 121.20 118.95 1xjm s ILE 558 Ca 0.49 0.24 -0.25 0.00 0.00 0.00 0.00 60.65 61.13 1xjm s ILE 558 Cb 0.42 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 39.30 1xjm s ILE 558 CO 0.01 0.39 1.21 -2.84 0.00 0.00 0.00 174.94 173.71 1xjm s PRO 559 N 0.66 4.02 -1.34 2.79 0.02 -1.26 -4.00 135.00 135.88 1xjm s PRO 559 Ca 0.09 1.95 -0.06 0.00 0.02 0.00 0.00 61.00 63.00 1xjm s PRO 559 Cb -0.12 -2.70 0.01 0.00 0.02 0.00 0.00 34.50 31.70 1xjm s PRO 559 CO 0.01 -0.38 0.76 -0.25 -0.33 0.00 0.00 177.00 176.81 1xjm n ASP 560 N 0.09 -5.83 -4.25 2.53 8.00 -1.26 -5.02 116.55 110.81 1xjm n ASP 560 Ca 0.04 -0.35 -0.34 0.00 0.71 0.00 0.00 54.79 54.86 1xjm n ASP 560 Cb 0.45 -4.58 -0.15 0.00 -0.02 0.00 0.00 41.12 36.83 1xjm n ASP 560 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xjm s VAL 561 N -3.19 2.72 0.54 2.53 0.11 -1.26 -5.04 120.40 116.83 1xjm s VAL 561 Ca 0.38 -0.74 -0.20 0.00 -2.93 0.00 0.00 61.98 58.49 1xjm s VAL 561 Cb -0.17 -2.17 -0.07 0.00 -1.53 0.00 0.00 36.38 32.44 1xjm s VAL 561 CO 0.47 0.50 0.87 -0.81 -3.33 0.00 0.00 175.10 172.80 1xjm n PRO 562 N 4.29 0.92 0.01 1.54 -0.04 -1.26 -4.78 135.00 135.68 1xjm n PRO 562 Ca -0.19 0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.52 1xjm n PRO 562 Cb 0.51 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.91 1xjm n PRO 562 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xjm h GLU 563 N 0.71 -0.08 -0.41 0.54 4.57 -2.00 -2.48 114.58 115.43 1xjm h GLU 563 Ca -0.47 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 57.84 1xjm h GLU 563 Cb 1.37 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 1xjm h GLU 563 CO 0.51 -0.05 0.33 0.87 -1.18 0.00 0.00 179.01 179.50 1xjm h LYS 564 N -0.08 0.00 -0.07 1.92 1.57 -1.99 0.63 116.57 118.54 1xjm h LYS 564 Ca 0.06 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.59 1xjm h LYS 564 Cb 0.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1xjm h LYS 564 CO -0.13 0.00 -0.92 0.82 -0.57 0.00 0.00 179.45 178.65 1xjm h ILE 565 N 0.00 1.28 -0.56 1.86 2.04 -1.80 -2.59 117.51 117.75 1xjm h ILE 565 Ca 0.19 -2.13 -0.04 0.00 1.00 0.00 0.00 64.86 63.89 1xjm h ILE 565 Cb 0.86 2.20 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 1xjm h ILE 565 CO -0.00 0.67 0.19 0.11 0.00 0.00 0.00 178.15 179.12 1xjm h LYS 566 N 0.45 0.82 0.08 2.37 1.57 -0.73 -0.74 116.57 120.40 1xjm h LYS 566 Ca -0.09 -0.14 -0.26 0.00 -1.87 0.00 0.00 60.65 58.29 1xjm h LYS 566 Cb 1.56 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.73 1xjm h LYS 566 CO 0.18 0.70 -1.12 0.87 -0.57 0.00 0.00 179.45 179.50 1xjm h LYS 567 N 0.81 0.35 0.01 3.15 1.79 -1.31 -3.35 116.57 118.03 1xjm h LYS 567 Ca 0.19 -0.49 -0.10 0.00 -2.18 0.00 0.00 60.65 58.07 1xjm h LYS 567 Cb 0.20 0.16 0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1xjm h LYS 567 CO -0.01 1.19 -0.39 0.28 -1.08 0.00 0.00 179.45 179.44 1xjm h VAL 568 N 0.15 1.52 -1.77 0.50 2.07 -1.43 -3.39 116.25 113.90 1xjm h VAL 568 Ca -0.12 -2.05 -0.78 0.00 0.82 0.00 0.00 66.70 64.57 1xjm h VAL 568 Cb 1.81 2.79 -0.20 0.00 -1.52 0.00 0.00 31.29 34.17 1xjm h VAL 568 CO 0.19 0.57 1.68 0.49 0.02 0.00 0.00 177.57 180.52 1xjm n PHE 569 N -4.40 2.66 -2.92 1.57 3.01 -0.29 -4.61 117.46 112.48 1xjm n PHE 569 Ca -0.10 -2.69 -0.35 0.00 1.01 0.00 0.00 57.45 55.32 1xjm n PHE 569 Cb 0.58 -1.53 -0.06 0.00 -0.01 0.00 0.00 39.48 38.46 1xjm n PHE 569 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1xjm s VAL 570 N -2.53 4.41 0.46 -4.37 -7.23 -1.26 -4.74 120.40 105.15 1xjm s VAL 570 Ca 0.45 1.48 0.07 0.00 -1.81 0.00 0.00 61.98 62.17 1xjm s VAL 570 Cb 0.17 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1xjm s VAL 570 CO -0.09 -0.00 0.42 0.68 -0.31 0.00 0.00 175.10 175.80 1xjm s VAL 571 N -1.78 2.42 0.27 1.32 -7.23 -1.26 -4.52 120.40 109.62 1xjm s VAL 571 Ca 0.52 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 59.28 1xjm s VAL 571 Cb -0.15 -2.76 0.37 0.00 0.56 0.00 0.00 36.38 34.41 1xjm s VAL 571 CO 0.20 0.00 1.59 0.00 -0.31 0.00 0.00 175.10 176.57 1xjm h ALA 572 N 0.89 0.76 0.00 1.32 0.00 -1.11 -2.00 119.26 119.12 1xjm h ALA 572 Ca -0.39 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xjm h ALA 572 Cb 1.28 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1xjm h ALA 572 CO 0.56 -0.44 -0.12 1.28 0.00 0.00 0.00 179.25 180.52 1xjm n LEU 573 N -5.51 0.54 0.21 0.00 4.77 -1.26 -2.48 117.00 113.27 1xjm n LEU 573 Ca 0.16 0.46 0.15 0.00 -0.03 0.00 0.00 56.01 56.75 1xjm n LEU 573 Cb 0.52 -0.35 0.54 0.00 -2.33 0.00 0.00 43.42 41.81 1xjm n LEU 573 CO -0.05 -0.09 0.92 0.44 -1.33 0.00 0.00 177.39 177.29 1xjm h ASP 574 N 0.00 0.00 -3.75 -1.43 3.32 -1.74 -3.44 116.42 109.37 1xjm h ASP 574 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1xjm h ASP 574 Cb 0.65 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.05 1xjm h ASP 574 CO 0.00 0.00 -0.42 -0.63 -1.72 0.00 0.00 179.24 176.47 1xjm s ILE 575 N -3.46 5.28 0.71 0.35 1.01 -1.04 -4.98 121.20 119.07 1xjm s ILE 575 Ca 0.04 0.32 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 1xjm s ILE 575 Cb 0.09 -3.58 0.01 0.00 0.01 0.00 0.00 42.46 38.99 1xjm s ILE 575 CO 0.51 0.25 1.06 1.51 0.00 0.00 0.00 174.94 178.28 1xjm s ASP 576 N 1.52 5.27 0.30 3.58 1.47 -1.26 -4.78 116.67 122.76 1xjm s ASP 576 Ca 0.10 1.61 0.03 0.00 1.18 0.00 0.00 52.55 55.47 1xjm s ASP 576 Cb -0.15 -2.47 0.76 0.00 -0.34 0.00 0.00 42.92 40.72 1xjm s ASP 576 CO 0.09 -1.51 1.61 -0.65 0.68 0.00 0.00 175.17 175.39 1xjm h PRO 577 N -0.77 0.09 -0.26 2.11 0.11 -1.95 -2.34 132.00 129.00 1xjm h PRO 577 Ca -0.44 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1xjm h PRO 577 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xjm h PRO 577 CO 0.57 0.06 -0.16 0.52 -0.21 0.00 0.00 178.00 178.77 1xjm h MET 578 N 0.09 0.45 -0.32 1.05 2.86 -1.93 -1.20 114.93 115.94 1xjm h MET 578 Ca 0.58 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.93 1xjm h MET 578 Cb 1.22 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1xjm h MET 578 CO -0.78 0.61 -0.42 -0.44 1.06 0.00 0.00 176.91 176.94 1xjm h ASP 579 N 0.42 0.87 -0.09 1.22 3.32 -1.79 0.17 116.42 120.54 1xjm h ASP 579 Ca 0.07 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.76 1xjm h ASP 579 Cb 0.53 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 1xjm h ASP 579 CO 0.03 1.17 -0.30 0.45 -1.72 0.00 0.00 179.24 178.87 1xjm h HIS 580 N 0.65 -0.83 -0.48 4.55 3.86 -1.31 -2.37 115.15 119.22 1xjm h HIS 580 Ca 0.05 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1xjm h HIS 580 Cb 0.99 0.38 -0.03 0.00 1.06 0.00 0.00 27.41 29.81 1xjm h HIS 580 CO 0.06 -0.39 0.28 1.25 0.86 0.00 0.00 177.93 179.99 1xjm h LEU 581 N -0.40 0.44 -1.03 2.43 5.85 -0.71 -2.00 115.31 119.89 1xjm h LEU 581 Ca 0.09 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1xjm h LEU 581 Cb 0.53 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1xjm h LEU 581 CO -0.32 0.31 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.58 1xjm h LEU 582 N 0.55 0.00 -0.30 2.25 3.38 -0.72 -1.05 115.31 119.43 1xjm h LEU 582 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1xjm h LEU 582 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xjm h LEU 582 CO -0.10 0.45 -0.15 -0.03 0.09 0.00 0.00 178.44 178.70 1xjm h MET 583 N 0.00 0.63 -0.36 1.13 4.05 -0.87 -1.64 114.93 117.87 1xjm h MET 583 Ca -0.00 -0.28 0.06 0.00 -0.28 0.00 0.00 59.70 59.20 1xjm h MET 583 Cb 0.86 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.59 1xjm h MET 583 CO 0.06 0.86 0.01 0.37 0.23 0.00 0.00 176.91 178.44 1xjm h GLN 584 N 0.38 0.10 -0.68 0.39 4.15 -1.01 -2.10 115.11 116.35 1xjm h GLN 584 Ca 0.07 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.55 1xjm h GLN 584 Cb 0.68 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.28 1xjm h GLN 584 CO 0.05 0.07 0.37 0.22 -1.93 0.00 0.00 178.83 177.61 1xjm h ASP 585 N 0.11 0.54 -0.07 -0.69 1.82 -1.07 -0.48 116.42 116.59 1xjm h ASP 585 Ca 0.17 0.04 0.01 0.00 -0.39 0.00 0.00 57.03 56.86 1xjm h ASP 585 Cb 0.24 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 1xjm h ASP 585 CO -0.29 0.34 0.01 0.00 -1.61 0.00 0.00 179.24 177.70 1xjm h ALA 586 N 1.37 0.07 -0.56 -0.78 0.00 -0.66 -2.30 119.26 116.39 1xjm h ALA 586 Ca 0.31 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1xjm h ALA 586 Cb 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xjm h ALA 586 CO -0.20 -0.46 0.17 0.74 0.00 0.00 0.00 179.25 179.50 1xjm h PHE 587 N 0.05 0.91 0.00 0.00 0.04 -1.24 -3.20 116.94 113.51 1xjm h PHE 587 Ca 0.03 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1xjm h PHE 587 Cb 0.02 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 37.90 1xjm h PHE 587 CO -0.10 0.77 -0.13 0.37 -0.60 0.00 0.00 178.31 178.63 1xjm h GLN 588 N 0.79 0.00 0.00 1.51 5.75 -0.82 -1.39 115.11 120.95 1xjm h GLN 588 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1xjm h GLN 588 Cb 0.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.84 1xjm h GLN 588 CO -0.00 0.13 0.00 0.00 -2.65 0.00 0.00 178.83 176.30 1xjm h ARG 589 N 0.00 0.00 0.00 1.69 3.08 -1.41 -2.99 114.38 114.75 1xjm h ARG 589 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1xjm h ARG 589 Cb 0.42 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.38 1xjm h ARG 589 CO 0.02 0.00 -0.50 0.66 -1.07 0.00 0.00 179.97 179.08 1xjm n TYR 590 N -2.76 0.00 -5.07 3.04 4.01 -0.54 -0.89 117.16 114.96 1xjm n TYR 590 Ca -0.01 -0.69 -0.31 0.00 -0.16 0.00 0.00 57.90 56.73 1xjm n TYR 590 Cb 0.14 -0.14 -0.17 0.00 -0.31 0.00 0.00 39.34 38.86 1xjm n TYR 590 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xjm s VAL 591 N -1.43 1.95 -0.14 -0.72 1.01 -1.13 -4.63 120.40 115.31 1xjm s VAL 591 Ca 0.24 -0.95 0.15 0.00 0.00 0.00 0.00 61.98 61.42 1xjm s VAL 591 Cb 0.24 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1xjm s VAL 591 CO -0.05 0.54 1.34 -2.24 0.00 0.00 0.00 175.10 174.69 1xjm h ASP 592 N 6.83 0.00 -0.08 3.32 -0.00 -1.72 -3.43 116.42 121.34 1xjm h ASP 592 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.81 1xjm h ASP 592 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.56 1xjm h ASP 592 CO 0.48 0.54 0.00 0.59 -0.00 0.00 0.00 179.24 180.85 1xjm n ASN 593 N -3.18 0.00 -0.65 4.15 3.02 -0.91 -4.92 115.26 112.77 1xjm n ASN 593 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1xjm n ASN 593 Cb 0.76 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 1xjm n ASN 593 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xjm n ASN 594 N 0.00 0.92 -3.81 6.41 3.02 0.15 -4.97 115.26 116.98 1xjm n ASN 594 Ca 0.00 -0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 54.07 1xjm n ASN 594 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 1xjm n ASN 594 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xjm s ILE 595 N 1.07 0.07 -0.62 2.41 1.01 -1.25 -3.34 121.20 120.54 1xjm s ILE 595 Ca 0.00 0.12 -0.28 0.00 0.00 0.00 0.00 60.65 60.49 1xjm s ILE 595 Cb 0.00 -0.17 0.03 0.00 0.01 0.00 0.00 42.46 42.33 1xjm s ILE 595 CO 0.00 0.11 1.22 -0.55 0.00 0.00 0.00 174.94 175.72 1xjm s SER 596 N 0.89 6.36 -0.07 3.58 0.15 -0.14 -4.58 113.70 119.89 1xjm s SER 596 Ca -0.08 -0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.50 1xjm s SER 596 Cb -0.12 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1xjm s SER 596 CO -0.02 -1.59 0.10 -0.75 1.20 0.00 0.00 173.24 172.18 1xjm s LYS 597 N 5.19 -0.02 -0.26 5.44 2.47 -1.26 -4.74 119.74 126.55 1xjm s LYS 597 Ca 0.41 0.40 -0.27 0.00 -1.56 0.00 0.00 55.97 54.94 1xjm s LYS 597 Cb -0.08 -0.56 0.01 0.00 -1.46 0.00 0.00 37.83 35.74 1xjm s LYS 597 CO 0.23 -0.36 0.96 0.99 0.16 0.00 0.00 175.35 177.33 1xjm s THR 598 N 2.21 4.70 -0.97 3.43 2.01 -1.26 -4.08 115.64 121.69 1xjm s THR 598 Ca 0.04 1.77 -0.24 0.00 0.31 0.00 0.00 61.69 63.57 1xjm s THR 598 Cb -0.12 -4.26 0.04 0.00 0.01 0.00 0.00 72.50 68.16 1xjm s THR 598 CO -0.05 -0.21 1.46 -0.63 -0.69 0.00 0.00 174.62 174.50 1xjm s ILE 599 N 3.16 3.86 0.24 1.82 -1.09 0.25 -4.98 121.20 124.46 1xjm s ILE 599 Ca 0.41 -0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 1xjm s ILE 599 Cb -0.14 -4.97 -0.09 0.00 -1.58 0.00 0.00 42.46 35.68 1xjm s ILE 599 CO 0.09 -1.86 1.30 0.20 -1.23 0.00 0.00 174.94 173.44 1xjm s ASN 600 N 5.02 6.88 0.02 3.58 -0.87 -1.26 -4.34 114.94 123.97 1xjm s ASN 600 Ca 0.46 2.47 0.03 0.00 -1.57 0.00 0.00 52.86 54.25 1xjm s ASN 600 Cb -0.02 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 38.58 1xjm s ASN 600 CO -0.06 -0.51 -0.09 -0.04 -2.57 0.00 0.00 177.10 173.84 1xjm s MET 601 N -0.58 0.64 0.71 -0.60 -1.94 -1.26 -4.07 119.30 112.20 1xjm s MET 601 Ca 0.54 -0.52 -0.13 0.00 -1.71 0.00 0.00 55.69 53.88 1xjm s MET 601 Cb -0.37 -0.57 0.03 0.00 2.01 0.00 0.00 34.83 35.93 1xjm s MET 601 CO 0.42 0.14 1.10 -1.25 -0.01 0.00 0.00 175.02 175.42 1xjm s PRO 602 N -0.81 2.55 0.44 2.03 0.04 -1.26 -0.53 135.00 137.46 1xjm s PRO 602 Ca -0.01 1.27 0.10 0.00 0.04 0.00 0.00 61.00 62.39 1xjm s PRO 602 Cb -0.06 -1.93 0.97 0.00 0.04 0.00 0.00 34.50 33.52 1xjm s PRO 602 CO 0.00 -1.43 2.07 0.37 0.04 0.00 0.00 177.00 178.06 1xjm h GLN 603 N -0.54 0.36 0.00 4.56 4.15 -1.93 -0.79 115.11 120.92 1xjm h GLN 603 Ca -0.45 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1xjm h GLN 603 Cb 1.24 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1xjm h GLN 603 CO 0.53 0.26 0.00 -1.13 -1.93 0.00 0.00 178.83 176.56 1xjm n SER 604 N -4.48 0.00 -4.77 -0.69 3.41 -1.26 -4.87 113.62 100.97 1xjm n SER 604 Ca 0.01 -1.40 -0.37 0.00 -0.26 0.00 0.00 58.87 56.85 1xjm n SER 604 Cb 0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1xjm n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjm s ALA 605 N -2.00 2.93 0.37 7.33 0.00 -0.30 -5.06 121.76 125.03 1xjm s ALA 605 Ca 0.14 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.09 1xjm s ALA 605 Cb 0.07 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 1xjm s ALA 605 CO 0.11 -0.66 0.49 0.95 0.00 0.00 0.00 175.76 176.65 1xjm s THR 606 N -1.58 3.65 0.28 0.00 -4.23 -1.26 -4.98 115.64 107.52 1xjm s THR 606 Ca 0.65 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1xjm s THR 606 Cb -0.28 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.60 1xjm s THR 606 CO 0.33 -0.10 1.85 0.58 -0.54 0.00 0.00 174.62 176.74 1xjm h VAL 607 N 0.83 0.94 -0.63 2.29 2.07 -1.97 -1.32 116.25 118.46 1xjm h VAL 607 Ca -0.44 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1xjm h VAL 607 Cb 1.26 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1xjm h VAL 607 CO 0.51 0.18 0.40 0.44 0.02 0.00 0.00 177.57 179.12 1xjm h ASP 608 N 1.01 0.73 -0.71 0.57 3.32 -1.96 -0.59 116.42 118.80 1xjm h ASP 608 Ca 0.49 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1xjm h ASP 608 Cb 0.46 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1xjm h ASP 608 CO -0.25 0.55 0.46 0.44 -1.72 0.00 0.00 179.24 178.71 1xjm h ASP 609 N 0.86 0.82 0.27 6.45 3.32 -1.63 -0.82 116.42 125.69 1xjm h ASP 609 Ca 0.23 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1xjm h ASP 609 Cb -0.07 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1xjm h ASP 609 CO -0.05 0.61 -0.14 0.58 -1.72 0.00 0.00 179.24 178.52 1xjm h VAL 610 N 0.96 0.71 -0.83 -1.35 2.07 -0.94 -2.35 116.25 114.51 1xjm h VAL 610 Ca 0.26 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.98 1xjm h VAL 610 Cb -0.09 0.71 -0.13 0.00 -1.52 0.00 0.00 31.29 30.26 1xjm h VAL 610 CO -0.05 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.69 1xjm h LEU 611 N -0.38 0.01 -0.98 2.57 3.38 -0.93 -1.02 115.31 117.97 1xjm h LEU 611 Ca -0.03 0.18 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1xjm h LEU 611 Cb 0.30 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1xjm h LEU 611 CO 0.05 -0.10 -0.13 0.78 0.09 0.00 0.00 178.44 179.13 1xjm h ASN 612 N 0.24 0.58 -0.14 -0.43 2.35 -0.97 -0.03 115.58 117.18 1xjm h ASN 612 Ca 0.50 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1xjm h ASN 612 Cb 0.96 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 1xjm h ASN 612 CO -0.60 0.74 0.07 0.58 -1.65 0.00 0.00 177.43 176.56 1xjm h VAL 613 N 0.55 1.12 -0.50 2.81 2.07 -0.68 -0.93 116.25 120.69 1xjm h VAL 613 Ca 0.10 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1xjm h VAL 613 Cb 0.54 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1xjm h VAL 613 CO 0.03 0.11 0.18 1.88 0.02 0.00 0.00 177.57 179.80 1xjm h TYR 614 N 0.10 0.32 -0.45 1.57 0.05 -1.03 0.46 116.97 117.99 1xjm h TYR 614 Ca 0.05 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 1xjm h TYR 614 Cb 0.12 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 1xjm h TYR 614 CO -0.03 0.10 0.11 -0.07 -1.05 0.00 0.00 178.16 177.22 1xjm h LEU 615 N 0.36 0.68 -0.79 3.88 3.38 -0.92 -1.50 115.31 120.39 1xjm h LEU 615 Ca 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xjm h LEU 615 Cb 0.25 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1xjm h LEU 615 CO -0.24 0.74 0.45 -0.08 0.09 0.00 0.00 178.44 179.39 1xjm h GLU 616 N 0.59 1.10 -0.86 1.13 4.57 -0.82 -2.32 114.58 117.97 1xjm h GLU 616 Ca 0.14 -0.12 0.16 0.00 -1.18 0.00 0.00 59.36 58.36 1xjm h GLU 616 Cb 0.32 -0.22 -0.10 0.00 -0.16 0.00 0.00 28.75 28.59 1xjm h GLU 616 CO 0.00 0.80 0.43 0.00 -1.18 0.00 0.00 179.01 179.06 1xjm h ALA 617 N 1.24 1.30 0.00 2.92 0.00 0.38 0.13 119.26 125.24 1xjm h ALA 617 Ca 0.28 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1xjm h ALA 617 Cb 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xjm h ALA 617 CO -0.05 -0.13 -0.20 -0.07 0.00 0.00 0.00 179.25 178.81 1xjm h LEU 618 N 0.59 0.00 0.00 0.00 3.38 -0.73 -2.81 115.31 115.74 1xjm h LEU 618 Ca 0.48 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.34 1xjm h LEU 618 Cb 0.72 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1xjm h LEU 618 CO -0.39 0.20 -0.98 0.03 0.09 0.00 0.00 178.44 177.39 1xjm h ARG 619 N 0.00 0.00 0.00 1.13 3.08 -0.75 -3.44 114.38 114.40 1xjm h ARG 619 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xjm h ARG 619 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1xjm h ARG 619 CO 0.03 0.28 0.00 0.25 -1.07 0.00 0.00 179.97 179.45 1xjm n THR 620 N -2.96 0.00 0.05 2.04 -2.24 -0.73 -5.02 114.28 105.42 1xjm n THR 620 Ca -0.04 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.83 1xjm n THR 620 Cb 0.74 -1.46 0.18 0.00 -2.10 0.00 0.00 70.33 67.69 1xjm n THR 620 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xjm n ASN 621 N -2.09 3.06 -4.74 3.42 3.02 -1.26 -4.99 115.26 111.69 1xjm n ASN 621 Ca 0.00 -1.90 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 1xjm n ASN 621 Cb 0.00 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 38.99 1xjm n ASN 621 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1xjm n VAL 622 N 1.00 4.24 0.94 2.41 0.24 -1.26 -4.85 118.33 121.04 1xjm n VAL 622 Ca 0.15 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 62.06 1xjm n VAL 622 Cb 0.48 -1.61 0.04 0.00 -1.47 0.00 0.00 33.84 31.28 1xjm n VAL 622 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1xjm n ARG 623 N -1.33 1.65 -3.61 7.34 1.74 -1.26 -4.95 116.66 116.24 1xjm n ARG 623 Ca 0.12 -1.33 -0.02 0.00 -0.77 0.00 0.00 57.85 55.86 1xjm n ARG 623 Cb 0.46 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1xjm n ARG 623 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xjm s GLY 624 N -2.16 -0.35 -0.04 -0.13 0.00 -1.26 -0.27 107.32 103.12 1xjm s GLY 624 Ca 0.21 1.18 0.01 0.00 0.00 0.00 0.00 44.72 46.12 1xjm s GLY 624 CO 0.43 0.34 -0.05 -0.42 0.00 0.00 0.00 173.10 173.40 1xjm s ILE 625 N -2.41 0.55 -0.08 0.90 -1.09 0.53 -4.96 121.20 114.64 1xjm s ILE 625 Ca 0.12 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 1xjm s ILE 625 Cb 0.02 -0.55 0.01 0.00 -1.58 0.00 0.00 42.46 40.35 1xjm s ILE 625 CO -0.04 0.22 -0.16 -0.89 -1.23 0.00 0.00 174.94 172.84 1xjm s THR 626 N 0.71 1.43 0.09 2.92 2.01 -1.26 -1.82 115.64 119.72 1xjm s THR 626 Ca -0.10 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1xjm s THR 626 Cb -0.13 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1xjm s THR 626 CO 0.00 0.42 0.04 1.33 -0.69 0.00 0.00 174.62 175.73 1xjm n VAL 627 N 3.86 0.00 0.00 3.82 0.24 -1.26 0.84 118.33 125.83 1xjm n VAL 627 Ca -0.21 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1xjm n VAL 627 Cb 0.52 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 1xjm n VAL 627 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xjm n ARG 629 N -0.55 0.00 -1.70 7.34 0.63 -1.26 -4.63 116.66 116.50 1xjm n ARG 629 Ca -0.01 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.48 1xjm n ARG 629 Cb 0.10 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.00 1xjm n ARG 629 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1xjm n ASP 630 N 0.00 2.94 0.00 6.15 4.64 0.31 -1.80 116.55 128.79 1xjm n ASP 630 Ca 0.00 1.18 0.00 0.00 -1.38 0.00 0.00 54.79 54.59 1xjm n ASP 630 Cb 0.00 -1.48 0.00 0.00 -1.04 0.00 0.00 41.12 38.60 1xjm n ASP 630 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xjm n GLY 631 N 1.47 2.29 0.18 0.27 0.00 -1.26 -3.90 105.19 104.24 1xjm n GLY 631 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 1xjm n GLY 631 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xjm h SER 632 N 0.00 0.79 -0.03 1.61 4.64 -1.64 -3.52 113.55 115.39 1xjm h SER 632 Ca 0.00 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 1xjm h SER 632 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1xjm h SER 632 CO 0.00 1.38 0.00 0.18 -0.87 0.00 0.00 176.83 177.52