#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ja1 n GLU 66 N 0.00 -2.00 -3.41 1.97 -0.58 -0.46 -5.04 120.64 111.11 1ja1 n GLU 66 Ca 0.00 -1.08 -0.24 0.00 -0.42 0.00 0.00 57.16 55.42 1ja1 n GLU 66 Cb 0.00 -0.95 -0.01 0.00 -0.57 0.00 0.00 31.44 29.91 1ja1 n GLU 66 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ja1 s SER 67 N -3.39 6.30 -0.05 1.62 1.04 -1.26 -4.85 113.70 113.12 1ja1 s SER 67 Ca 0.43 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 57.20 1ja1 s SER 67 Cb -0.04 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.01 1ja1 s SER 67 CO 0.32 -0.28 0.30 -1.54 0.98 0.00 0.00 173.24 173.03 1ja1 n SER 68 N -1.71 0.12 0.03 7.02 3.41 -1.26 -4.85 113.62 116.37 1ja1 n SER 68 Ca -0.05 0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.73 1ja1 n SER 68 Cb 0.56 -0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 64.16 1ja1 n SER 68 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1ja1 h PHE 69 N 0.90 0.13 -0.58 7.33 -0.00 -1.93 -2.33 116.94 120.46 1ja1 h PHE 69 Ca -0.11 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.97 57.69 1ja1 h PHE 69 Cb 0.33 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 36.25 1ja1 h PHE 69 CO 0.14 1.12 0.07 0.28 -0.00 0.00 0.00 178.31 179.92 1ja1 h VAL 70 N 0.02 1.26 0.00 0.88 2.07 -1.89 0.15 116.25 118.73 1ja1 h VAL 70 Ca -0.19 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1ja1 h VAL 70 Cb 1.94 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1ja1 h VAL 70 CO 0.12 0.37 0.00 -0.62 0.02 0.00 0.00 177.57 177.46 1ja1 n GLU 71 N -4.30 0.23 0.01 1.57 4.71 -1.23 -2.39 120.64 119.25 1ja1 n GLU 71 Ca 0.03 0.10 -0.22 0.00 -0.01 0.00 0.00 57.16 57.06 1ja1 n GLU 71 Cb 0.29 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.08 1ja1 n GLU 71 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1ja1 h LYS 72 N 0.00 0.26 -0.10 3.49 1.63 -0.24 -3.29 116.57 118.31 1ja1 h LYS 72 Ca 0.00 -0.44 -0.01 0.00 -0.85 0.00 0.00 60.65 59.35 1ja1 h LYS 72 Cb 0.23 0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1ja1 h LYS 72 CO 0.00 1.21 0.02 0.52 -3.45 0.00 0.00 179.45 177.75 1ja1 h MET 73 N -0.24 0.17 -0.55 1.90 2.86 -0.63 -2.93 114.93 115.50 1ja1 h MET 73 Ca -0.32 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.39 1ja1 h MET 73 Cb 1.81 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 33.34 1ja1 h MET 73 CO 0.07 0.35 -0.13 0.87 1.06 0.00 0.00 176.91 179.13 1ja1 h LYS 74 N -0.05 0.00 0.00 1.72 1.79 -1.64 0.58 116.57 118.97 1ja1 h LYS 74 Ca 0.03 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1ja1 h LYS 74 Cb 0.26 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1ja1 h LYS 74 CO 0.00 0.00 -0.10 -0.22 -1.08 0.00 0.00 179.45 178.05 1ja1 h LYS 75 N 0.00 0.00 -0.25 3.15 3.64 -1.61 -2.18 116.57 119.32 1ja1 h LYS 75 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1ja1 h LYS 75 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1ja1 h LYS 75 CO -0.57 0.10 0.00 0.25 -2.27 0.00 0.00 179.45 176.96 1ja1 n THR 76 N -3.55 0.51 -3.29 1.00 -2.24 -0.20 -4.98 114.28 101.54 1ja1 n THR 76 Ca -0.02 -0.76 -0.17 0.00 -2.27 0.00 0.00 64.05 60.84 1ja1 n THR 76 Cb 0.23 0.89 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 1ja1 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ja1 n GLY 77 N 0.85 -0.26 3.49 3.38 0.00 0.17 -5.01 105.19 107.81 1ja1 n GLY 77 Ca 0.12 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1ja1 n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ja1 s ARG 78 N -5.56 2.31 -0.04 1.61 0.52 0.86 -4.58 118.95 114.07 1ja1 s ARG 78 Ca 0.22 -0.83 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1ja1 s ARG 78 Cb -0.10 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 1ja1 s ARG 78 CO 0.61 0.58 0.03 0.27 0.02 0.00 0.00 175.30 176.80 1ja1 n ASN 79 N 1.79 3.98 -4.38 0.23 6.94 -0.02 -4.21 115.26 119.58 1ja1 n ASN 79 Ca -0.16 0.00 -0.33 0.00 -0.02 0.00 0.00 54.58 54.07 1ja1 n ASN 79 Cb 0.52 0.70 -0.14 0.00 -2.36 0.00 0.00 39.78 38.50 1ja1 n ASN 79 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1ja1 s ILE 80 N -2.13 3.06 -0.09 1.53 1.01 -1.02 -2.35 121.20 121.20 1ja1 s ILE 80 Ca -0.02 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1ja1 s ILE 80 Cb 0.01 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.23 1ja1 s ILE 80 CO 0.17 0.53 -0.09 -0.51 0.00 0.00 0.00 174.94 175.04 1ja1 s ILE 81 N 0.24 1.06 -0.28 2.92 2.07 -1.05 0.10 121.20 126.26 1ja1 s ILE 81 Ca -0.09 -0.36 -0.03 0.00 -1.41 0.00 0.00 60.65 58.76 1ja1 s ILE 81 Cb -0.15 -1.03 0.03 0.00 0.13 0.00 0.00 42.46 41.43 1ja1 s ILE 81 CO 0.05 0.36 -0.00 -0.69 -1.91 0.00 0.00 174.94 172.75 1ja1 s VAL 82 N 1.27 3.25 0.07 4.00 1.01 0.49 -1.62 120.40 128.88 1ja1 s VAL 82 Ca -0.03 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 1ja1 s VAL 82 Cb -0.14 -2.71 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 1ja1 s VAL 82 CO -0.03 0.09 0.61 -0.36 0.00 0.00 0.00 175.10 175.41 1ja1 s PHE 83 N 1.37 3.80 -0.06 5.22 0.08 -0.05 -0.59 117.98 127.74 1ja1 s PHE 83 Ca -0.00 1.32 0.04 0.00 0.12 0.00 0.00 56.93 58.41 1ja1 s PHE 83 Cb -0.17 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1ja1 s PHE 83 CO -0.01 0.53 -0.19 1.52 -0.10 0.00 0.00 175.22 176.97 1ja1 s TYR 84 N -0.93 2.59 -0.55 0.36 1.13 -0.96 -0.90 117.35 118.08 1ja1 s TYR 84 Ca 0.31 -0.43 -0.03 0.00 -1.41 0.00 0.00 57.07 55.50 1ja1 s TYR 84 Cb -0.20 -1.63 0.14 0.00 -1.10 0.00 0.00 41.96 39.17 1ja1 s TYR 84 CO 0.20 -0.02 0.36 0.20 -2.51 0.00 0.00 175.55 173.78 1ja1 s GLY 85 N -0.39 2.34 0.10 5.49 0.00 0.29 -4.53 107.32 110.63 1ja1 s GLY 85 Ca 0.04 -3.03 0.02 0.00 0.00 0.00 0.00 44.72 41.75 1ja1 s GLY 85 CO 0.02 1.08 -0.07 -0.45 0.00 0.00 0.00 173.10 173.67 1ja1 s SER 86 N 1.05 1.23 0.00 1.64 0.15 -1.26 -0.79 113.70 115.72 1ja1 s SER 86 Ca 0.14 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1ja1 s SER 86 Cb -0.21 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1ja1 s SER 86 CO -0.04 -0.43 0.00 0.00 1.20 0.00 0.00 173.24 173.97 1ja1 n GLN 87 N 0.02 0.68 -0.63 5.44 6.02 -1.26 -4.70 117.38 122.94 1ja1 n GLN 87 Ca -0.12 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.88 1ja1 n GLN 87 Cb 0.60 -0.83 0.23 0.00 1.02 0.00 0.00 30.24 31.26 1ja1 n GLN 87 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ja1 n THR 88 N -1.99 2.45 0.00 5.09 -2.24 -1.26 -4.98 114.28 111.35 1ja1 n THR 88 Ca 0.00 -2.24 0.00 0.00 -2.27 0.00 0.00 64.05 59.54 1ja1 n THR 88 Cb 0.33 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1ja1 n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ja1 n GLY 89 N -0.81 2.95 0.34 3.38 0.00 -1.26 -4.93 105.19 104.86 1ja1 n GLY 89 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1ja1 n GLY 89 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ja1 h THR 90 N 0.00 0.00 -0.45 2.61 2.02 -1.96 -1.03 112.91 114.09 1ja1 h THR 90 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1ja1 h THR 90 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.33 1ja1 h THR 90 CO 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 1ja1 h ALA 91 N -1.05 0.35 -0.45 6.16 0.00 -1.89 0.16 119.26 122.55 1ja1 h ALA 91 Ca -0.03 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1ja1 h ALA 91 Cb 0.56 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1ja1 h ALA 91 CO -0.11 -0.42 0.31 1.49 0.00 0.00 0.00 179.25 180.52 1ja1 h GLU 92 N 0.05 0.17 -0.08 0.00 4.81 -1.82 -0.35 114.58 117.35 1ja1 h GLU 92 Ca 0.22 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1ja1 h GLU 92 Cb 0.34 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1ja1 h GLU 92 CO -0.43 0.11 0.02 1.49 -0.73 0.00 0.00 179.01 179.48 1ja1 h GLU 93 N 0.18 0.13 -0.72 1.92 4.57 0.68 -0.73 114.58 120.60 1ja1 h GLU 93 Ca 0.21 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1ja1 h GLU 93 Cb 0.60 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 1ja1 h GLU 93 CO -0.03 0.31 0.23 0.74 -1.18 0.00 0.00 179.01 179.08 1ja1 h PHE 94 N -0.07 1.16 -0.59 0.92 0.04 -0.82 -1.23 116.94 116.36 1ja1 h PHE 94 Ca 0.03 -0.12 0.06 0.00 2.80 0.00 0.00 57.97 60.74 1ja1 h PHE 94 Cb 0.24 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 1ja1 h PHE 94 CO 0.00 0.92 0.30 0.00 -0.60 0.00 0.00 178.31 178.94 1ja1 h ALA 95 N 1.11 0.77 -0.60 2.45 0.00 -0.90 0.13 119.26 122.23 1ja1 h ALA 95 Ca 0.23 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ja1 h ALA 95 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ja1 h ALA 95 CO -0.01 -0.04 0.16 -0.91 0.00 0.00 0.00 179.25 178.45 1ja1 h ASN 96 N 0.57 0.90 0.68 0.00 2.35 -0.76 -0.84 115.58 118.49 1ja1 h ASN 96 Ca 0.27 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1ja1 h ASN 96 Cb 0.19 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1ja1 h ASN 96 CO -0.19 0.89 -0.39 0.03 -1.65 0.00 0.00 177.43 176.12 1ja1 h ARG 97 N 0.87 -0.97 -0.44 0.81 3.08 -0.23 -1.05 114.38 116.45 1ja1 h ARG 97 Ca 0.19 0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.39 1ja1 h ARG 97 Cb 0.33 0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1ja1 h ARG 97 CO -0.00 -0.65 0.01 -0.07 -1.07 0.00 0.00 179.97 178.19 1ja1 h LEU 98 N -1.00 -0.16 -1.69 3.04 3.38 -0.68 0.33 115.31 118.52 1ja1 h LEU 98 Ca -0.09 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1ja1 h LEU 98 Cb 0.80 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1ja1 h LEU 98 CO 0.11 -0.04 0.32 -1.28 0.09 0.00 0.00 178.44 177.63 1ja1 h SER 99 N 0.12 0.33 1.47 -0.43 0.87 -1.02 -0.04 113.55 114.85 1ja1 h SER 99 Ca 0.22 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.69 1ja1 h SER 99 Cb 0.31 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1ja1 h SER 99 CO -0.35 0.21 -0.42 0.11 -0.53 0.00 0.00 176.83 175.85 1ja1 h LYS 100 N 0.37 0.00 0.00 2.24 1.57 0.27 -3.21 116.57 117.81 1ja1 h LYS 100 Ca 0.21 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 1ja1 h LYS 100 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1ja1 h LYS 100 CO -0.05 0.42 -0.44 -0.44 -0.57 0.00 0.00 179.45 178.37 1ja1 h ASP 101 N 0.00 0.00 -0.69 0.86 3.45 0.95 -3.27 116.42 117.72 1ja1 h ASP 101 Ca -0.00 0.00 0.14 0.00 0.43 0.00 0.00 57.03 57.60 1ja1 h ASP 101 Cb 1.26 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.90 1ja1 h ASP 101 CO 0.05 0.44 -0.15 0.00 -1.57 0.00 0.00 179.24 178.02 1ja1 h ALA 102 N 1.56 0.50 -0.99 3.45 0.00 -1.49 -0.24 119.26 122.05 1ja1 h ALA 102 Ca -0.00 0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.36 1ja1 h ALA 102 Cb 0.89 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 1ja1 h ALA 102 CO 0.06 -0.42 0.59 1.25 0.00 0.00 0.00 179.25 180.73 1ja1 h HIS 103 N 0.01 1.04 0.00 0.00 -0.00 -1.40 0.37 115.15 115.17 1ja1 h HIS 103 Ca 0.34 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 1ja1 h HIS 103 Cb 0.53 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 1ja1 h HIS 103 CO -0.53 0.20 0.00 0.54 -0.00 0.00 0.00 177.93 178.14 1ja1 n ARG 104 N -4.80 0.18 -1.88 5.26 1.74 -0.10 -1.24 116.66 115.83 1ja1 n ARG 104 Ca 0.23 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.33 1ja1 n ARG 104 Cb 0.59 -1.39 0.04 0.00 -1.02 0.00 0.00 32.46 30.67 1ja1 n ARG 104 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ja1 n TYR 105 N -0.89 0.47 -0.54 -1.55 4.01 0.12 -3.29 117.16 115.49 1ja1 n TYR 105 Ca 0.03 -1.11 0.00 0.00 -0.16 0.00 0.00 57.90 56.66 1ja1 n TYR 105 Cb 0.02 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 1ja1 n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ja1 n GLY 106 N 0.03 0.13 4.01 2.72 0.00 -0.37 -4.83 105.19 106.88 1ja1 n GLY 106 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1ja1 n GLY 106 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ja1 s MET 107 N -0.84 2.59 -0.10 1.61 -1.94 -0.77 -4.94 119.30 114.92 1ja1 s MET 107 Ca 0.00 -1.25 -0.01 0.00 -1.71 0.00 0.00 55.69 52.72 1ja1 s MET 107 Cb 0.00 -2.66 0.03 0.00 2.01 0.00 0.00 34.83 34.21 1ja1 s MET 107 CO 0.00 -0.55 -0.02 1.03 -0.01 0.00 0.00 175.02 175.47 1ja1 s ARG 108 N -4.54 0.96 0.38 2.03 0.52 -1.26 -1.77 118.95 115.27 1ja1 s ARG 108 Ca 0.58 -0.10 0.08 0.00 -0.52 0.00 0.00 55.73 55.77 1ja1 s ARG 108 Cb -0.09 -1.34 -0.05 0.00 0.52 0.00 0.00 34.95 33.99 1ja1 s ARG 108 CO 0.36 -0.33 0.10 0.20 0.02 0.00 0.00 175.30 175.65 1ja1 s GLY 109 N 1.86 2.22 -0.05 -3.53 0.00 -1.24 -0.84 107.32 105.74 1ja1 s GLY 109 Ca 0.04 -2.05 -0.04 0.00 0.00 0.00 0.00 44.72 42.67 1ja1 s GLY 109 CO -0.07 -1.91 0.13 -3.16 0.00 0.00 0.00 173.10 168.10 1ja1 s MET 110 N -3.81 0.12 -0.20 2.90 0.23 0.29 -4.83 119.30 114.00 1ja1 s MET 110 Ca 0.38 0.26 -0.07 0.00 -1.03 0.00 0.00 55.69 55.23 1ja1 s MET 110 Cb 0.02 -0.03 -0.04 0.00 -1.53 0.00 0.00 34.83 33.25 1ja1 s MET 110 CO 0.21 -0.08 0.06 -1.54 -2.03 0.00 0.00 175.02 171.63 1ja1 s SER 111 N 0.53 5.37 0.25 -1.18 1.04 -1.25 0.18 113.70 118.64 1ja1 s SER 111 Ca -0.04 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.37 1ja1 s SER 111 Cb -0.05 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 64.08 1ja1 s SER 111 CO -0.02 0.10 0.05 0.00 0.98 0.00 0.00 173.24 174.35 1ja1 s ALA 112 N 0.80 1.79 -0.32 5.32 0.00 0.25 -4.89 121.76 124.70 1ja1 s ALA 112 Ca 0.03 -1.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.00 1ja1 s ALA 112 Cb -0.14 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1ja1 s ALA 112 CO 0.02 -0.36 0.41 0.34 0.00 0.00 0.00 175.76 176.17 1ja1 s ASP 113 N -3.32 6.25 0.53 0.00 3.68 -1.26 -2.27 116.67 120.28 1ja1 s ASP 113 Ca 0.33 0.02 0.20 0.00 2.13 0.00 0.00 52.55 55.23 1ja1 s ASP 113 Cb 0.07 -2.22 1.37 0.00 -1.45 0.00 0.00 42.92 40.69 1ja1 s ASP 113 CO 0.11 -0.32 2.13 1.55 0.13 0.00 0.00 175.17 178.76 1ja1 h PRO 114 N 8.35 0.00 -0.04 4.34 0.13 -1.79 -2.20 132.00 140.78 1ja1 h PRO 114 Ca -0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 1ja1 h PRO 114 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1ja1 h PRO 114 CO 0.70 0.00 -0.24 1.49 -0.23 0.00 0.00 178.00 179.72 1ja1 h GLU 115 N 0.00 0.07 0.00 0.86 4.81 -1.91 -2.68 114.58 115.73 1ja1 h GLU 115 Ca 0.06 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1ja1 h GLU 115 Cb 0.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ja1 h GLU 115 CO -0.00 0.31 -0.08 0.93 -0.73 0.00 0.00 179.01 179.45 1ja1 h GLU 116 N 0.07 0.00 -5.85 1.92 5.08 -1.74 -3.47 114.58 110.59 1ja1 h GLU 116 Ca 0.01 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.75 1ja1 h GLU 116 Cb 0.47 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 1ja1 h GLU 116 CO 0.03 0.00 -0.65 0.71 -1.00 0.00 0.00 179.01 178.10 1ja1 s TYR 117 N -3.12 2.44 -0.63 4.33 1.51 -1.01 -1.36 117.35 119.51 1ja1 s TYR 117 Ca 0.10 -0.55 -0.17 0.00 -1.01 0.00 0.00 57.07 55.43 1ja1 s TYR 117 Cb 0.11 -1.51 0.13 0.00 -0.11 0.00 0.00 41.96 40.58 1ja1 s TYR 117 CO 0.62 0.54 0.68 0.34 -1.11 0.00 0.00 175.55 176.62 1ja1 s ASP 118 N -3.64 6.30 0.00 2.29 3.68 -1.26 -4.90 116.67 119.13 1ja1 s ASP 118 Ca 0.33 -1.78 0.00 0.00 2.13 0.00 0.00 52.55 53.24 1ja1 s ASP 118 Cb 0.05 -2.27 0.00 0.00 -1.45 0.00 0.00 42.92 39.25 1ja1 s ASP 118 CO 0.17 -0.95 0.49 0.18 0.13 0.00 0.00 175.17 175.19 1ja1 n LEU 119 N 5.65 0.00 0.17 -1.34 7.99 -1.26 -1.52 117.00 126.69 1ja1 n LEU 119 Ca -0.05 0.03 0.14 0.00 -0.01 0.00 0.00 56.01 56.12 1ja1 n LEU 119 Cb 0.43 -0.03 0.52 0.00 -0.11 0.00 0.00 43.42 44.22 1ja1 n LEU 119 CO 0.53 -0.03 0.90 0.00 -1.51 0.00 0.00 177.39 177.27 1ja1 h ALA 120 N 1.80 1.00 0.00 -1.18 0.00 -1.94 -2.72 119.26 116.21 1ja1 h ALA 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ja1 h ALA 120 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ja1 h ALA 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1ja1 n ASP 121 N -2.52 0.00 0.02 0.00 9.92 -0.58 -3.45 116.55 119.93 1ja1 n ASP 121 Ca 0.02 -1.31 0.05 0.00 -0.53 0.00 0.00 54.79 53.03 1ja1 n ASP 121 Cb 0.29 0.00 0.22 0.00 -0.64 0.00 0.00 41.12 40.99 1ja1 n ASP 121 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ja1 n LEU 122 N -0.78 0.07 0.09 0.64 4.77 -1.03 -0.97 117.00 119.80 1ja1 n LEU 122 Ca 0.12 0.52 -0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1ja1 n LEU 122 Cb 0.06 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1ja1 n LEU 122 CO 0.09 -0.40 0.20 0.28 -1.33 0.00 0.00 177.39 176.23 1ja1 h SER 123 N 0.00 0.00 -0.12 -1.43 0.02 -1.85 -3.16 113.55 107.02 1ja1 h SER 123 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ja1 h SER 123 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ja1 h SER 123 CO 0.00 0.63 0.00 -1.20 -1.14 0.00 0.00 176.83 175.12 1ja1 n SER 124 N -3.16 1.15 -0.00 3.07 7.64 -0.15 -4.08 113.62 118.09 1ja1 n SER 124 Ca -0.02 -1.63 -0.17 0.00 1.01 0.00 0.00 58.87 58.06 1ja1 n SER 124 Cb 0.81 -0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.80 1ja1 n SER 124 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ja1 h LEU 125 N 1.53 0.31 0.00 -3.43 5.85 -1.54 -3.09 115.31 114.93 1ja1 h LEU 125 Ca 0.00 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.83 1ja1 h LEU 125 Cb 0.33 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ja1 h LEU 125 CO 0.00 1.17 0.04 -0.81 -0.34 0.00 0.00 178.44 178.50 1ja1 n PRO 126 N -4.34 0.00 0.15 5.25 -0.04 -1.26 0.28 135.00 135.03 1ja1 n PRO 126 Ca -0.11 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.83 1ja1 n PRO 126 Cb 0.64 -1.54 0.51 0.00 -0.04 0.00 0.00 33.50 33.07 1ja1 n PRO 126 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ja1 h GLU 127 N 0.00 0.00 -6.34 0.54 5.08 -1.78 -3.44 114.58 108.64 1ja1 h GLU 127 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1ja1 h GLU 127 Cb 0.07 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.19 1ja1 h GLU 127 CO 0.00 0.00 -0.71 0.42 -1.00 0.00 0.00 179.01 177.72 1ja1 s ILE 128 N -3.35 3.07 0.00 3.13 1.01 0.14 -5.12 121.20 120.09 1ja1 s ILE 128 Ca 0.04 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.78 1ja1 s ILE 128 Cb 0.09 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1ja1 s ILE 128 CO 0.44 -0.25 0.00 0.47 0.00 0.00 0.00 174.94 175.60 1ja1 n ASP 129 N -0.37 0.00 -4.01 3.58 10.43 -1.26 -3.62 116.55 121.31 1ja1 n ASP 129 Ca -0.08 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 56.85 1ja1 n ASP 129 Cb 0.57 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.54 1ja1 n ASP 129 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1ja1 n LYS 130 N 0.00 3.52 -4.01 -1.24 5.02 -1.26 -4.93 118.16 115.26 1ja1 n LYS 130 Ca 0.00 -3.55 -0.32 0.00 -2.02 0.00 0.00 58.31 52.43 1ja1 n LYS 130 Cb 0.00 -2.98 -0.06 0.00 -0.02 0.00 0.00 35.03 31.97 1ja1 n LYS 130 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ja1 s SER 131 N 1.49 5.89 -0.00 4.39 1.04 -1.24 -4.82 113.70 120.46 1ja1 s SER 131 Ca 0.41 0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 1ja1 s SER 131 Cb 0.07 -1.72 0.03 0.00 0.10 0.00 0.00 66.02 64.50 1ja1 s SER 131 CO 0.00 0.22 0.35 -0.22 0.98 0.00 0.00 173.24 174.56 1ja1 s LEU 132 N -2.15 0.69 -0.11 2.42 2.96 -0.99 -4.24 118.68 117.27 1ja1 s LEU 132 Ca 0.28 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1ja1 s LEU 132 Cb -0.12 1.43 -0.01 0.00 0.50 0.00 0.00 46.19 47.99 1ja1 s LEU 132 CO 0.20 -0.51 -0.17 0.54 -1.32 0.00 0.00 176.35 175.09 1ja1 s VAL 133 N -1.67 2.69 -0.05 1.68 0.11 0.14 -2.52 120.40 120.79 1ja1 s VAL 133 Ca -0.11 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.18 1ja1 s VAL 133 Cb -0.04 -2.09 -0.02 0.00 -1.53 0.00 0.00 36.38 32.70 1ja1 s VAL 133 CO 0.03 0.55 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.50 1ja1 s VAL 134 N 0.18 2.96 -0.22 2.04 1.01 -0.64 -2.20 120.40 123.54 1ja1 s VAL 134 Ca -0.10 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1ja1 s VAL 134 Cb -0.16 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.10 1ja1 s VAL 134 CO 0.06 0.59 -0.12 -0.36 0.00 0.00 0.00 175.10 175.26 1ja1 s PHE 135 N -0.68 2.98 -0.75 5.22 0.08 -0.69 -0.88 117.98 123.26 1ja1 s PHE 135 Ca 0.10 -1.67 -0.11 0.00 0.12 0.00 0.00 56.93 55.38 1ja1 s PHE 135 Cb -0.11 -1.98 0.20 0.00 -0.57 0.00 0.00 43.02 40.55 1ja1 s PHE 135 CO 0.01 -0.77 0.65 0.00 -0.10 0.00 0.00 175.22 175.00 1ja1 s MET 137 N 0.18 3.42 0.35 0.00 -1.94 -1.02 0.11 119.30 120.39 1ja1 s MET 137 Ca 0.17 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.49 1ja1 s MET 137 Cb -0.14 -2.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 1ja1 s MET 137 CO -0.07 0.18 0.55 0.00 -0.01 0.00 0.00 175.02 175.68 1ja1 s ALA 138 N 0.44 3.71 -0.04 3.03 0.00 0.03 -1.33 121.76 127.60 1ja1 s ALA 138 Ca -0.09 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1ja1 s ALA 138 Cb -0.16 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1ja1 s ALA 138 CO 0.04 -0.03 -0.12 0.99 0.00 0.00 0.00 175.76 176.64 1ja1 s THR 139 N -2.32 3.26 0.19 0.00 2.01 -0.52 -4.13 115.64 114.12 1ja1 s THR 139 Ca 0.40 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1ja1 s THR 139 Cb -0.10 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1ja1 s THR 139 CO 0.36 0.55 0.10 -0.31 -0.69 0.00 0.00 174.62 174.63 1ja1 s TYR 140 N -0.80 1.12 0.00 4.92 2.02 0.45 -4.90 117.35 120.15 1ja1 s TYR 140 Ca 0.13 -1.31 0.00 0.00 -0.37 0.00 0.00 57.07 55.52 1ja1 s TYR 140 Cb -0.11 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.88 1ja1 s TYR 140 CO 0.02 -0.56 0.00 0.41 -1.57 0.00 0.00 175.55 173.85 1ja1 n GLY 141 N -0.24 3.04 2.84 0.71 0.00 -1.26 -0.56 105.19 109.72 1ja1 n GLY 141 Ca -0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1ja1 n GLY 141 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ja1 n GLU 142 N 14.00 4.40 -2.58 1.61 4.71 -1.26 -4.70 120.64 136.82 1ja1 n GLU 142 Ca 0.00 -4.62 -0.06 0.00 -0.01 0.00 0.00 57.16 52.47 1ja1 n GLU 142 Cb 0.00 -2.45 0.03 0.00 -1.01 0.00 0.00 31.44 28.01 1ja1 n GLU 142 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ja1 n GLY 143 N 0.85 0.22 3.39 0.62 0.00 -1.09 -5.01 105.19 104.17 1ja1 n GLY 143 Ca 0.32 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1ja1 n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ja1 s ASP 144 N -3.39 3.04 0.58 1.61 1.11 0.28 -4.72 116.67 115.18 1ja1 s ASP 144 Ca 0.05 -0.92 -0.09 0.00 0.18 0.00 0.00 52.55 51.77 1ja1 s ASP 144 Cb -0.02 -0.21 -0.03 0.00 1.07 0.00 0.00 42.92 43.73 1ja1 s ASP 144 CO 0.25 -0.00 0.95 -2.16 1.18 0.00 0.00 175.17 175.40 1ja1 s PRO 145 N -3.03 3.47 0.89 8.23 0.04 -1.26 -0.41 135.00 142.92 1ja1 s PRO 145 Ca 0.21 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 1ja1 s PRO 145 Cb -0.05 -2.18 0.13 0.00 0.04 0.00 0.00 34.50 32.44 1ja1 s PRO 145 CO 0.09 -0.51 1.15 0.95 0.04 0.00 0.00 177.00 178.72 1ja1 s THR 146 N -3.05 2.12 0.22 1.26 -4.23 -1.26 -4.74 115.64 105.96 1ja1 s THR 146 Ca 0.53 0.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 1ja1 s THR 146 Cb -0.11 -2.14 0.19 0.00 1.34 0.00 0.00 72.50 71.79 1ja1 s THR 146 CO 0.50 -0.05 1.68 0.44 -0.54 0.00 0.00 174.62 176.65 1ja1 h ASP 147 N -1.70 -0.15 0.17 3.99 3.45 -1.97 0.37 116.42 120.59 1ja1 h ASP 147 Ca -0.43 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1ja1 h ASP 147 Cb 1.27 0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.27 1ja1 h ASP 147 CO 0.43 -0.07 0.00 -0.46 -1.57 0.00 0.00 179.24 177.57 1ja1 n ASN 148 N -5.22 0.00 -0.56 6.45 6.94 -1.26 -2.19 115.26 119.42 1ja1 n ASN 148 Ca 0.10 -0.33 0.05 0.00 -0.02 0.00 0.00 54.58 54.38 1ja1 n ASN 148 Cb 0.36 -0.13 0.14 0.00 -2.36 0.00 0.00 39.78 37.79 1ja1 n ASN 148 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ja1 n ALA 149 N -1.13 2.18 0.18 -2.53 0.00 0.13 -3.03 120.51 116.30 1ja1 n ALA 149 Ca 0.12 -1.16 -0.07 0.00 0.00 0.00 0.00 53.44 52.33 1ja1 n ALA 149 Cb 0.11 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1ja1 n ALA 149 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ja1 h GLN 150 N 1.75 -0.45 -0.76 0.00 1.08 -1.04 -2.11 115.11 113.59 1ja1 h GLN 150 Ca 0.00 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.37 1ja1 h GLN 150 Cb 0.72 0.10 -0.14 0.00 -0.05 0.00 0.00 27.48 28.12 1ja1 h GLN 150 CO 0.01 -0.30 -0.28 -0.44 -0.95 0.00 0.00 178.83 176.86 1ja1 h ASP 151 N -0.63 -1.02 -0.36 1.46 5.19 -1.84 0.21 116.42 119.43 1ja1 h ASP 151 Ca -0.05 0.25 0.05 0.00 -0.62 0.00 0.00 57.03 56.66 1ja1 h ASP 151 Cb 0.36 0.57 -0.04 0.00 0.18 0.00 0.00 39.33 40.40 1ja1 h ASP 151 CO 0.08 -0.28 0.10 0.15 -3.12 0.00 0.00 179.24 176.17 1ja1 h PHE 152 N -0.06 0.18 -0.36 4.55 3.57 -1.86 0.28 116.94 123.24 1ja1 h PHE 152 Ca 0.32 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.88 1ja1 h PHE 152 Cb 0.57 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 1ja1 h PHE 152 CO -0.68 0.06 0.13 -0.92 -2.23 0.00 0.00 178.31 174.67 1ja1 h TYR 153 N 0.24 0.23 -0.16 0.41 3.20 0.03 -0.91 116.97 120.00 1ja1 h TYR 153 Ca 0.17 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1ja1 h TYR 153 Cb 0.16 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1ja1 h TYR 153 CO -0.16 0.10 0.04 -0.44 -1.64 0.00 0.00 178.16 176.05 1ja1 h ASP 154 N 0.28 0.25 -0.49 -2.11 3.32 -0.38 -2.98 116.42 114.31 1ja1 h ASP 154 Ca 0.16 -0.24 0.10 0.00 0.02 0.00 0.00 57.03 57.07 1ja1 h ASP 154 Cb 0.13 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 39.53 1ja1 h ASP 154 CO -0.16 0.42 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.48 1ja1 h TRP 155 N 0.06 -0.11 -0.80 4.55 7.01 -0.15 -0.78 115.95 125.73 1ja1 h TRP 155 Ca 0.05 0.04 0.14 0.00 2.11 0.00 0.00 58.89 61.23 1ja1 h TRP 155 Cb 0.27 0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.40 1ja1 h TRP 155 CO 0.01 -0.15 0.53 -0.07 -2.79 0.00 0.00 178.44 175.97 1ja1 h LEU 156 N 0.07 0.50 -0.31 0.65 3.38 -1.05 1.51 115.31 120.05 1ja1 h LEU 156 Ca 0.24 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 58.04 1ja1 h LEU 156 Cb 0.37 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ja1 h LEU 156 CO -0.44 0.26 -0.80 1.56 0.09 0.00 0.00 178.44 179.11 1ja1 h GLN 157 N 0.53 0.42 0.00 1.13 4.20 -1.01 -3.26 115.11 117.13 1ja1 h GLN 157 Ca 0.40 -0.38 -0.20 0.00 0.06 0.00 0.00 58.65 58.53 1ja1 h GLN 157 Cb 0.77 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1ja1 h GLN 157 CO -0.15 1.03 -1.48 0.39 -0.67 0.00 0.00 178.83 177.95 1ja1 n GLU 158 N -3.81 0.62 0.00 1.46 4.71 -0.73 -5.07 120.64 117.82 1ja1 n GLU 158 Ca -0.05 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.35 1ja1 n GLU 158 Cb 0.75 -1.81 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 1ja1 n GLU 158 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1ja1 n THR 159 N -2.93 0.00 -0.65 2.62 -2.24 0.51 -4.85 114.28 106.74 1ja1 n THR 159 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ja1 n THR 159 Cb 0.89 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1ja1 n THR 159 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ja1 n ASP 160 N 1.78 -0.43 -1.55 3.42 -0.08 -1.26 -4.64 116.55 113.80 1ja1 n ASP 160 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 1ja1 n ASP 160 Cb 0.00 -0.17 0.01 0.00 2.34 0.00 0.00 41.12 43.30 1ja1 n ASP 160 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1ja1 n VAL 161 N -2.07 0.00 -2.47 5.18 3.14 -1.26 -4.89 118.33 115.96 1ja1 n VAL 161 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1ja1 n VAL 161 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 1ja1 n VAL 161 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ja1 n ASP 162 N 1.36 -6.66 -2.43 6.55 2.03 -1.19 -4.98 116.55 111.22 1ja1 n ASP 162 Ca -0.01 0.92 -0.32 0.00 0.52 0.00 0.00 54.79 55.90 1ja1 n ASP 162 Cb 0.29 -4.38 0.04 0.00 -0.72 0.00 0.00 41.12 36.35 1ja1 n ASP 162 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ja1 n LEU 163 N 0.30 6.38 -4.72 -2.67 4.77 -0.59 -4.90 117.00 115.56 1ja1 n LEU 163 Ca 0.03 -4.73 -0.42 0.00 -0.03 0.00 0.00 56.01 50.86 1ja1 n LEU 163 Cb 0.10 -0.74 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1ja1 n LEU 163 CO 0.35 1.86 1.03 -0.89 -1.33 0.00 0.00 177.39 178.40 1ja1 s THR 164 N -4.98 3.30 0.00 -5.08 2.01 -1.24 -2.45 115.64 107.20 1ja1 s THR 164 Ca 0.55 0.98 0.00 0.00 0.31 0.00 0.00 61.69 63.53 1ja1 s THR 164 Cb 0.45 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1ja1 s THR 164 CO -0.13 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1ja1 n GLY 165 N 3.04 0.47 3.78 4.40 0.00 -1.26 -4.89 105.19 110.74 1ja1 n GLY 165 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1ja1 n GLY 165 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ja1 s VAL 166 N -2.06 4.86 -0.14 1.61 1.01 -1.03 -4.42 120.40 120.24 1ja1 s VAL 166 Ca 0.00 1.20 -0.03 0.00 0.00 0.00 0.00 61.98 63.15 1ja1 s VAL 166 Cb 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1ja1 s VAL 166 CO 0.00 0.48 -0.04 -0.54 0.00 0.00 0.00 175.10 174.99 1ja1 s LYS 167 N -0.56 3.50 0.20 2.72 3.01 -1.26 -1.58 119.74 125.77 1ja1 s LYS 167 Ca 0.30 -0.52 -0.06 0.00 -1.01 0.00 0.00 55.97 54.68 1ja1 s LYS 167 Cb -0.19 -2.85 -0.02 0.00 -1.01 0.00 0.00 37.83 33.76 1ja1 s LYS 167 CO 0.17 0.32 0.24 -0.59 0.51 0.00 0.00 175.35 176.01 1ja1 s PHE 168 N 0.13 0.78 -0.00 3.18 -0.71 -0.99 -0.68 117.98 119.69 1ja1 s PHE 168 Ca -0.01 -1.08 -0.17 0.00 -1.04 0.00 0.00 56.93 54.63 1ja1 s PHE 168 Cb -0.14 -0.26 0.03 0.00 -1.21 0.00 0.00 43.02 41.44 1ja1 s PHE 168 CO 0.03 -0.74 0.36 0.00 -1.34 0.00 0.00 175.22 173.53 1ja1 s ALA 169 N -4.08 -0.91 -0.01 1.99 0.00 -0.93 -0.49 121.76 117.33 1ja1 s ALA 169 Ca 0.29 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.65 1ja1 s ALA 169 Cb 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 1ja1 s ALA 169 CO 0.08 -0.32 -0.03 0.08 0.00 0.00 0.00 175.76 175.57 1ja1 s VAL 170 N -1.65 0.28 -0.19 0.00 1.01 -1.26 -1.70 120.40 116.89 1ja1 s VAL 170 Ca -0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1ja1 s VAL 170 Cb -0.03 -0.25 0.05 0.00 0.00 0.00 0.00 36.38 36.15 1ja1 s VAL 170 CO 0.03 0.09 -0.06 0.12 0.00 0.00 0.00 175.10 175.28 1ja1 s PHE 171 N 0.00 1.95 -0.02 5.22 5.36 -0.13 0.81 117.98 131.18 1ja1 s PHE 171 Ca 0.00 -1.32 -0.09 0.00 -0.96 0.00 0.00 56.93 54.56 1ja1 s PHE 171 Cb -0.02 -1.42 -0.05 0.00 -0.34 0.00 0.00 43.02 41.19 1ja1 s PHE 171 CO -0.00 -0.68 0.28 0.20 -1.46 0.00 0.00 175.22 173.56 1ja1 s GLY 172 N 1.55 2.29 -0.24 13.12 0.00 0.57 -2.43 107.32 122.19 1ja1 s GLY 172 Ca -0.01 -0.49 -0.06 0.00 0.00 0.00 0.00 44.72 44.16 1ja1 s GLY 172 CO -0.07 -0.23 0.03 1.08 0.00 0.00 0.00 173.10 173.90 1ja1 s LEU 173 N -1.41 3.24 0.00 0.66 1.02 -0.45 -0.26 118.68 121.50 1ja1 s LEU 173 Ca 0.24 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.12 1ja1 s LEU 173 Cb -0.14 -1.86 0.00 0.00 0.02 0.00 0.00 46.19 44.22 1ja1 s LEU 173 CO 0.12 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.08 1ja1 n GLY 174 N 4.86 3.26 2.78 -3.19 0.00 -0.32 -1.44 105.19 111.14 1ja1 n GLY 174 Ca -0.17 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 1ja1 n GLY 174 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ja1 s ASN 175 N -0.67 0.73 0.62 1.61 3.84 -1.26 0.03 114.94 119.83 1ja1 s ASN 175 Ca 0.00 0.22 0.33 0.00 0.21 0.00 0.00 52.86 53.62 1ja1 s ASN 175 Cb 0.00 0.09 1.88 0.00 -0.55 0.00 0.00 41.25 42.68 1ja1 s ASN 175 CO 0.00 -0.23 2.18 0.07 -2.79 0.00 0.00 177.10 176.33 1ja1 h LYS 176 N 8.17 0.00 0.00 0.43 2.10 -1.90 -2.78 116.57 122.59 1ja1 h LYS 176 Ca -0.19 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.36 1ja1 h LYS 176 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1ja1 h LYS 176 CO 0.21 0.00 -0.49 1.79 -2.00 0.00 0.00 179.45 178.95 1ja1 h THR 177 N 0.00 1.18 -4.25 0.07 1.35 -1.98 -3.45 112.91 105.83 1ja1 h THR 177 Ca 0.04 -1.80 -0.50 0.00 -0.55 0.00 0.00 66.41 63.60 1ja1 h THR 177 Cb 0.29 2.02 0.13 0.00 -1.73 0.00 0.00 68.15 68.85 1ja1 h THR 177 CO -0.00 0.48 0.31 -0.31 -0.25 0.00 0.00 175.52 175.76 1ja1 s TYR 178 N -3.65 2.66 0.18 4.73 2.02 -1.05 -4.97 117.35 117.27 1ja1 s TYR 178 Ca -0.01 1.38 -0.05 0.00 -0.37 0.00 0.00 57.07 58.02 1ja1 s TYR 178 Cb 0.12 -3.06 0.07 0.00 -0.40 0.00 0.00 41.96 38.69 1ja1 s TYR 178 CO 0.73 -1.84 1.49 1.05 -1.57 0.00 0.00 175.55 175.41 1ja1 h GLU 179 N -1.15 0.66 -3.68 -0.62 4.11 -1.88 -3.36 114.58 108.65 1ja1 h GLU 179 Ca -0.46 -0.40 -0.79 0.00 0.07 0.00 0.00 59.36 57.78 1ja1 h GLU 179 Cb 1.25 0.04 -0.27 0.00 0.50 0.00 0.00 28.75 30.27 1ja1 h GLU 179 CO 0.55 1.02 0.41 -1.01 0.07 0.00 0.00 179.01 180.04 1ja1 s HIS 180 N -4.08 4.13 -0.24 2.06 3.76 -1.26 -5.02 115.29 114.64 1ja1 s HIS 180 Ca -0.08 -2.51 -0.29 0.00 -0.15 0.00 0.00 55.06 52.03 1ja1 s HIS 180 Cb 0.11 -3.86 -0.03 0.00 1.11 0.00 0.00 32.58 29.92 1ja1 s HIS 180 CO 0.85 -0.98 1.65 0.12 -0.85 0.00 0.00 174.74 175.54 1ja1 s PHE 181 N -0.82 2.04 -1.44 1.40 5.36 -1.26 -3.39 117.98 119.87 1ja1 s PHE 181 Ca 0.28 0.54 -0.07 0.00 -0.96 0.00 0.00 56.93 56.72 1ja1 s PHE 181 Cb -0.10 -4.02 0.05 0.00 -0.34 0.00 0.00 43.02 38.61 1ja1 s PHE 181 CO -0.08 -2.98 0.79 0.09 -1.46 0.00 0.00 175.22 171.58 1ja1 n ASN 182 N 8.77 -2.74 0.27 6.13 3.02 -1.26 -4.91 115.26 124.54 1ja1 n ASN 182 Ca 0.20 -0.83 -0.16 0.00 -0.03 0.00 0.00 54.58 53.75 1ja1 n ASN 182 Cb 0.45 -3.80 -0.08 0.00 -0.61 0.00 0.00 39.78 35.75 1ja1 n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ja1 h ALA 183 N 0.91 -0.84 -0.75 5.41 0.00 -1.92 -1.70 119.26 120.37 1ja1 h ALA 183 Ca -0.60 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.22 1ja1 h ALA 183 Cb 1.37 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 1ja1 h ALA 183 CO 0.63 -1.00 0.45 1.98 0.00 0.00 0.00 179.25 181.31 1ja1 h MET 184 N -0.81 0.82 -0.83 0.00 1.85 -1.86 -1.86 114.93 112.24 1ja1 h MET 184 Ca -0.04 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1ja1 h MET 184 Cb 0.70 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 32.51 1ja1 h MET 184 CO -0.02 0.54 0.51 0.78 -0.40 0.00 0.00 176.91 178.33 1ja1 h GLY 185 N 0.84 1.19 1.67 1.39 0.00 -1.73 -2.49 103.07 103.94 1ja1 h GLY 185 Ca 0.32 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1ja1 h GLY 185 CO -0.16 0.47 -0.60 0.50 0.00 0.00 0.00 176.54 176.75 1ja1 h LYS 186 N 1.13 0.34 -0.10 4.80 1.57 -0.86 -2.80 116.57 120.65 1ja1 h LYS 186 Ca 0.30 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1ja1 h LYS 186 Cb -0.07 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1ja1 h LYS 186 CO -0.06 0.84 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.66 1ja1 h TYR 187 N 0.25 0.27 -0.38 -1.35 3.20 -1.16 0.52 116.97 118.32 1ja1 h TYR 187 Ca -0.00 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1ja1 h TYR 187 Cb 1.12 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1ja1 h TYR 187 CO 0.03 0.63 0.18 0.28 -1.64 0.00 0.00 178.16 177.64 1ja1 h VAL 188 N -0.17 0.96 -0.70 1.81 2.07 -1.51 1.01 116.25 119.71 1ja1 h VAL 188 Ca 0.02 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1ja1 h VAL 188 Cb 0.58 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1ja1 h VAL 188 CO 0.02 0.07 0.28 -0.78 0.02 0.00 0.00 177.57 177.18 1ja1 h ASP 189 N 0.37 0.97 0.21 0.57 1.82 -1.49 -0.55 116.42 118.31 1ja1 h ASP 189 Ca 0.16 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1ja1 h ASP 189 Cb 0.09 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.85 1ja1 h ASP 189 CO -0.12 0.88 -0.10 -0.61 -1.61 0.00 0.00 179.24 177.67 1ja1 h GLN 190 N 1.00 -0.27 -0.44 0.28 5.75 -0.16 -3.25 115.11 118.03 1ja1 h GLN 190 Ca 0.23 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.77 1ja1 h GLN 190 Cb 0.21 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1ja1 h GLN 190 CO -0.02 0.11 0.27 0.00 -2.65 0.00 0.00 178.83 176.54 1ja1 h ARG 191 N -0.74 0.53 0.07 1.69 2.47 0.11 -1.21 114.38 117.30 1ja1 h ARG 191 Ca -0.03 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.68 1ja1 h ARG 191 Cb 0.50 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.65 1ja1 h ARG 191 CO 0.05 0.35 -0.53 -0.07 0.56 0.00 0.00 179.97 180.33 1ja1 h LEU 192 N 0.55 -1.61 -1.54 3.04 3.38 -1.19 -0.34 115.31 117.60 1ja1 h LEU 192 Ca 0.17 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ja1 h LEU 192 Cb -0.02 0.60 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1ja1 h LEU 192 CO -0.06 -0.54 0.22 -0.08 0.09 0.00 0.00 178.44 178.07 1ja1 h GLU 193 N -0.72 0.53 0.00 1.13 4.81 -1.58 0.37 114.58 119.12 1ja1 h GLU 193 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1ja1 h GLU 193 Cb 0.74 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1ja1 h GLU 193 CO -0.32 0.39 0.00 0.94 -0.73 0.00 0.00 179.01 179.29 1ja1 n GLN 194 N -4.44 0.14 0.00 1.92 7.27 -0.29 -1.16 117.38 120.82 1ja1 n GLN 194 Ca 0.03 0.54 0.11 0.00 0.07 0.00 0.00 57.00 57.75 1ja1 n GLN 194 Cb 0.09 -1.88 0.08 0.00 2.41 0.00 0.00 30.24 30.94 1ja1 n GLN 194 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1ja1 n LEU 195 N -2.16 2.66 0.00 1.69 4.32 0.10 -4.95 117.00 118.66 1ja1 n LEU 195 Ca -0.00 -0.96 0.00 0.00 -0.02 0.00 0.00 56.01 55.03 1ja1 n LEU 195 Cb 0.10 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1ja1 n LEU 195 CO 0.12 0.46 0.00 0.61 -1.22 0.00 0.00 177.39 177.36 1ja1 n GLY 196 N 1.23 0.90 3.85 -0.72 0.00 -0.31 -1.55 105.19 108.60 1ja1 n GLY 196 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1ja1 n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja1 s ALA 197 N -2.00 3.40 -0.21 4.61 0.00 -1.10 -3.59 121.76 122.87 1ja1 s ALA 197 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 1ja1 s ALA 197 Cb 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 1ja1 s ALA 197 CO 0.00 0.38 0.12 -1.14 0.00 0.00 0.00 175.76 175.12 1ja1 s GLN 198 N -2.79 4.08 -0.05 0.00 0.74 -0.61 -3.91 119.66 117.11 1ja1 s GLN 198 Ca 0.51 -0.28 -0.30 0.00 0.05 0.00 0.00 55.36 55.34 1ja1 s GLN 198 Cb -0.11 -3.40 -0.03 0.00 1.10 0.00 0.00 33.01 30.57 1ja1 s GLN 198 CO 0.19 0.20 1.14 0.50 -0.55 0.00 0.00 175.29 176.77 1ja1 s ARG 199 N 0.62 4.39 0.07 1.67 3.52 -1.26 -2.35 118.95 125.60 1ja1 s ARG 199 Ca 0.06 1.60 0.23 0.00 -0.13 0.00 0.00 55.73 57.49 1ja1 s ARG 199 Cb -0.12 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.67 1ja1 s ARG 199 CO 0.01 -0.37 0.89 -0.89 -0.81 0.00 0.00 175.30 174.13 1ja1 n ILE 200 N 4.49 0.24 -3.61 4.11 2.08 0.36 -4.92 119.36 122.11 1ja1 n ILE 200 Ca 0.10 -0.38 -0.16 0.00 0.56 0.00 0.00 62.75 62.87 1ja1 n ILE 200 Cb 0.47 0.04 -0.07 0.00 -0.75 0.00 0.00 39.64 39.33 1ja1 n ILE 200 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 1ja1 s PHE 201 N -3.31 -0.58 1.01 1.39 5.36 -1.25 -4.85 117.98 115.74 1ja1 s PHE 201 Ca -0.00 1.15 -0.20 0.00 -0.96 0.00 0.00 56.93 56.91 1ja1 s PHE 201 Cb 0.13 0.30 -0.12 0.00 -0.34 0.00 0.00 43.02 42.99 1ja1 s PHE 201 CO 0.83 -0.48 -0.82 0.39 -1.46 0.00 0.00 175.22 173.68 1ja1 n GLU 202 N 1.56 -0.21 -2.99 10.12 1.02 -1.26 -4.46 120.64 124.42 1ja1 n GLU 202 Ca -0.18 -0.05 -0.40 0.00 -0.02 0.00 0.00 57.16 56.51 1ja1 n GLU 202 Cb 0.56 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.75 1ja1 n GLU 202 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ja1 s LEU 203 N 5.86 4.49 -0.23 -4.62 2.96 -1.26 -4.35 118.68 121.53 1ja1 s LEU 203 Ca 0.43 1.49 -0.20 0.00 -0.22 0.00 0.00 54.13 55.62 1ja1 s LEU 203 Cb -0.08 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 1ja1 s LEU 203 CO 0.74 0.07 0.62 -0.83 -1.32 0.00 0.00 176.35 175.63 1ja1 s GLY 204 N -0.35 1.93 -0.88 7.98 0.00 0.24 -4.95 107.32 111.30 1ja1 s GLY 204 Ca 0.38 -0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.71 1ja1 s GLY 204 CO 0.24 1.36 0.77 1.08 0.00 0.00 0.00 173.10 176.55 1ja1 s LEU 205 N 2.19 5.64 0.15 0.66 1.43 -1.26 0.21 118.68 127.69 1ja1 s LEU 205 Ca 0.27 -3.57 -0.30 0.00 -1.03 0.00 0.00 54.13 49.50 1ja1 s LEU 205 Cb -0.16 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.05 1ja1 s LEU 205 CO 0.09 -0.23 1.21 -0.83 0.23 0.00 0.00 176.35 176.82 1ja1 s GLY 206 N 0.18 2.56 -0.32 -3.19 0.00 0.65 -4.96 107.32 102.23 1ja1 s GLY 206 Ca 0.26 0.93 -0.01 0.00 0.00 0.00 0.00 44.72 45.90 1ja1 s GLY 206 CO -0.11 1.93 0.04 -0.35 0.00 0.00 0.00 173.10 174.62 1ja1 s ASP 207 N 0.44 4.94 0.05 1.64 2.15 -1.26 -1.18 116.67 123.46 1ja1 s ASP 207 Ca 0.55 -1.49 0.16 0.00 0.43 0.00 0.00 52.55 52.21 1ja1 s ASP 207 Cb -0.32 -1.72 0.69 0.00 -0.30 0.00 0.00 42.92 41.27 1ja1 s ASP 207 CO 0.34 -0.32 1.51 -0.67 -0.17 0.00 0.00 175.17 175.86 1ja1 n ASP 208 N 4.58 0.13 -0.04 -0.34 4.64 0.10 -2.02 116.55 123.61 1ja1 n ASP 208 Ca -0.10 0.53 0.14 0.00 -1.38 0.00 0.00 54.79 53.99 1ja1 n ASP 208 Cb 0.43 -0.56 0.68 0.00 -1.04 0.00 0.00 41.12 40.62 1ja1 n ASP 208 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1ja1 n ASP 209 N -1.64 0.17 0.00 1.67 2.03 -1.26 -4.48 116.55 113.03 1ja1 n ASP 209 Ca 0.03 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1ja1 n ASP 209 Cb 0.18 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1ja1 n ASP 209 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ja1 n GLY 210 N 1.31 0.49 3.01 0.27 0.00 -0.86 -5.05 105.19 104.36 1ja1 n GLY 210 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 1ja1 n GLY 210 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ja1 s ASN 211 N 0.26 -0.42 0.28 1.61 3.84 -1.12 -5.03 114.94 114.37 1ja1 s ASN 211 Ca 0.00 -0.49 0.01 0.00 0.21 0.00 0.00 52.86 52.60 1ja1 s ASN 211 Cb 0.00 1.44 0.57 0.00 -0.55 0.00 0.00 41.25 42.72 1ja1 s ASN 211 CO 0.00 -0.29 1.81 0.25 -2.79 0.00 0.00 177.10 176.08 1ja1 h LEU 212 N 7.73 0.82 -0.09 3.21 6.46 -1.82 -2.35 115.31 129.28 1ja1 h LEU 212 Ca -0.02 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1ja1 h LEU 212 Cb 1.14 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 1ja1 h LEU 212 CO 0.19 0.40 -0.15 -0.08 -0.62 0.00 0.00 178.44 178.18 1ja1 h GLU 213 N 0.88 -0.20 0.00 1.25 4.57 -1.96 -1.40 114.58 117.72 1ja1 h GLU 213 Ca 0.50 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.68 1ja1 h GLU 213 Cb 0.59 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1ja1 h GLU 213 CO -0.30 -0.13 -0.09 0.93 -1.18 0.00 0.00 179.01 178.23 1ja1 h GLU 214 N -0.21 0.00 0.01 1.92 4.39 -1.86 -1.64 114.58 117.19 1ja1 h GLU 214 Ca 0.08 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.58 1ja1 h GLU 214 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1ja1 h GLU 214 CO -0.21 0.09 -0.91 -0.44 -1.16 0.00 0.00 179.01 176.39 1ja1 h ASP 215 N 0.00 0.18 -0.04 1.42 3.45 -0.94 -2.85 116.42 117.64 1ja1 h ASP 215 Ca -0.00 -0.16 -0.24 0.00 0.43 0.00 0.00 57.03 57.06 1ja1 h ASP 215 Cb 0.34 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 39.07 1ja1 h ASP 215 CO 0.01 0.99 -0.91 0.15 -1.57 0.00 0.00 179.24 177.92 1ja1 h PHE 216 N 0.07 1.02 -0.60 4.55 3.57 -0.43 -2.34 116.94 122.77 1ja1 h PHE 216 Ca -0.04 -0.50 -0.00 0.00 3.53 0.00 0.00 57.97 60.96 1ja1 h PHE 216 Cb 1.56 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 1ja1 h PHE 216 CO 0.02 1.34 0.37 0.82 -2.23 0.00 0.00 178.31 178.63 1ja1 h ILE 217 N 0.45 1.17 0.40 1.41 2.04 -1.37 0.28 117.51 121.90 1ja1 h ILE 217 Ca -0.09 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1ja1 h ILE 217 Cb 1.55 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 1ja1 h ILE 217 CO 0.18 0.17 -0.19 0.74 0.00 0.00 0.00 178.15 179.05 1ja1 h THR 218 N 0.81 0.61 0.25 -0.27 2.02 -1.52 -0.40 112.91 114.41 1ja1 h THR 218 Ca 0.22 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ja1 h THR 218 Cb -0.04 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1ja1 h THR 218 CO -0.04 0.04 -0.25 -0.25 0.37 0.00 0.00 175.52 175.39 1ja1 h TRP 219 N -0.67 -0.65 -0.90 3.16 7.01 -1.29 -2.52 115.95 120.09 1ja1 h TRP 219 Ca -0.05 0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.12 1ja1 h TRP 219 Cb 0.48 0.25 -0.10 0.00 -2.10 0.00 0.00 29.16 27.69 1ja1 h TRP 219 CO -0.02 -0.36 0.48 -0.09 -2.79 0.00 0.00 178.44 175.66 1ja1 h ARG 220 N -0.53 0.60 0.00 2.65 2.43 -0.43 0.25 114.38 119.35 1ja1 h ARG 220 Ca -0.01 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1ja1 h ARG 220 Cb 0.49 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1ja1 h ARG 220 CO -0.05 0.40 -0.08 1.49 -1.51 0.00 0.00 179.97 180.21 1ja1 h GLU 221 N 0.62 0.00 0.00 0.20 4.81 -0.63 -2.90 114.58 116.68 1ja1 h GLU 221 Ca 0.52 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.39 1ja1 h GLU 221 Cb 0.81 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.12 1ja1 h GLU 221 CO -0.40 0.08 -2.34 1.04 -0.73 0.00 0.00 179.01 176.67 1ja1 n GLN 222 N -3.92 0.82 0.09 1.92 6.02 -0.19 -4.38 117.38 117.74 1ja1 n GLN 222 Ca -0.02 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1ja1 n GLN 222 Cb 0.18 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.88 1ja1 n GLN 222 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1ja1 h PHE 223 N 0.00 -0.65 -0.27 1.08 3.57 -0.39 -2.48 116.94 117.80 1ja1 h PHE 223 Ca -0.53 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 60.98 1ja1 h PHE 223 Cb 2.20 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 41.21 1ja1 h PHE 223 CO 0.00 -0.34 0.14 -1.49 -2.23 0.00 0.00 178.31 174.39 1ja1 h TRP 224 N -0.42 0.38 -0.86 0.41 4.06 -1.77 0.75 115.95 118.51 1ja1 h TRP 224 Ca 0.04 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.06 1ja1 h TRP 224 Cb 0.47 -0.12 -0.07 0.00 -1.00 0.00 0.00 29.16 28.44 1ja1 h TRP 224 CO -0.25 0.34 0.52 -1.35 -3.56 0.00 0.00 178.44 174.14 1ja1 h PRO 225 N 0.31 0.87 -0.36 0.49 0.11 -1.75 0.78 132.00 132.46 1ja1 h PRO 225 Ca 0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1ja1 h PRO 225 Cb 0.10 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1ja1 h PRO 225 CO -0.01 0.58 0.19 0.00 -0.21 0.00 0.00 178.00 178.55 1ja1 h ALA 226 N 1.44 0.46 -0.77 -0.75 0.00 -1.08 -1.33 119.26 117.23 1ja1 h ALA 226 Ca 0.40 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.31 1ja1 h ALA 226 Cb 0.28 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1ja1 h ALA 226 CO -0.21 -0.01 0.44 0.28 0.00 0.00 0.00 179.25 179.75 1ja1 h VAL 227 N 0.45 0.94 0.12 0.00 2.07 0.62 -0.84 116.25 119.61 1ja1 h VAL 227 Ca 0.13 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ja1 h VAL 227 Cb 0.06 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1ja1 h VAL 227 CO -0.02 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 177.65 1ja1 h GLU 229 N -0.28 0.89 -0.20 0.00 4.39 -0.82 0.76 114.58 119.33 1ja1 h GLU 229 Ca -0.02 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 1ja1 h GLU 229 Cb 0.22 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1ja1 h GLU 229 CO 0.03 0.59 -0.60 0.35 -1.16 0.00 0.00 179.01 178.21 1ja1 h PHE 230 N 0.92 0.87 -0.54 4.33 3.04 -1.08 -3.18 116.94 121.30 1ja1 h PHE 230 Ca 0.35 -0.33 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1ja1 h PHE 230 Cb 0.14 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1ja1 h PHE 230 CO -0.04 1.11 0.00 1.19 -2.02 0.00 0.00 178.31 178.55 1ja1 n PHE 231 N -3.96 1.32 -4.14 0.41 3.72 -0.48 -4.94 117.46 109.39 1ja1 n PHE 231 Ca -0.04 -0.65 -0.30 0.00 -0.05 0.00 0.00 57.45 56.41 1ja1 n PHE 231 Cb 0.65 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 1ja1 n PHE 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ja1 n GLY 232 N 0.72 -0.23 0.41 1.37 0.00 0.22 -4.80 105.19 102.89 1ja1 n GLY 232 Ca 0.23 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.49 1ja1 n GLY 232 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ja1 n VAL 233 N -4.53 0.26 0.00 1.61 0.31 0.12 -4.89 118.33 111.21 1ja1 n VAL 233 Ca -0.30 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1ja1 n VAL 233 Cb 0.68 0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.76 1ja1 n VAL 233 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1ja1 n GLU 234 N 0.11 0.00 0.00 5.55 0.28 -1.26 -4.44 120.64 120.88 1ja1 n GLU 234 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1ja1 n GLU 234 Cb 0.21 -0.73 0.00 0.00 1.43 0.00 0.00 31.44 32.35 1ja1 n GLU 234 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ja1 n ALA 235 N 0.18 0.00 0.00 -1.84 0.00 -1.26 -4.87 120.51 112.72 1ja1 n ALA 235 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ja1 n ALA 235 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ja1 n ALA 235 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ja1 n THR 236 N 0.00 0.00 -3.78 0.00 -2.24 -1.26 -4.09 114.28 102.90 1ja1 n THR 236 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1ja1 n THR 236 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 1ja1 n THR 236 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ja1 n GLY 237 N 0.00 -0.65 2.84 3.38 0.00 -1.21 -4.88 105.19 104.67 1ja1 n GLY 237 Ca 0.00 0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1ja1 n GLY 237 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ja1 n GLU 238 N -4.28 4.87 -1.31 1.61 1.02 -1.24 -4.93 120.64 116.38 1ja1 n GLU 238 Ca -0.19 -4.56 -0.34 0.00 -0.02 0.00 0.00 57.16 52.05 1ja1 n GLU 238 Cb 0.63 -2.51 -0.09 0.00 -0.02 0.00 0.00 31.44 29.46 1ja1 n GLU 238 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1ja1 n GLU 239 N 0.81 0.88 -4.00 3.49 0.28 -1.26 -4.56 120.64 116.29 1ja1 n GLU 239 Ca 0.36 -1.77 -0.21 0.00 -0.16 0.00 0.00 57.16 55.37 1ja1 n GLU 239 Cb 0.30 -3.22 -0.02 0.00 1.43 0.00 0.00 31.44 29.92 1ja1 n GLU 239 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1ja1 s SER 240 N 6.57 6.17 -1.30 -1.84 0.01 -1.26 -5.01 113.70 117.04 1ja1 s SER 240 Ca 0.68 0.02 -0.16 0.00 1.31 0.00 0.00 55.95 57.80 1ja1 s SER 240 Cb 0.07 -1.78 0.10 0.00 0.21 0.00 0.00 66.02 64.62 1ja1 s SER 240 CO 0.20 -0.06 1.73 -1.54 0.41 0.00 0.00 173.24 173.98 1ja1 n SER 241 N -1.31 4.89 -4.77 2.44 3.41 -1.26 -4.96 113.62 112.06 1ja1 n SER 241 Ca -0.09 -2.94 -0.39 0.00 -0.26 0.00 0.00 58.87 55.19 1ja1 n SER 241 Cb 0.57 -1.68 -0.06 0.00 -0.26 0.00 0.00 64.21 62.79 1ja1 n SER 241 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1ja1 s ILE 242 N 3.19 4.68 0.30 -1.33 -4.36 -1.26 -5.05 121.20 117.38 1ja1 s ILE 242 Ca 0.49 1.50 0.08 0.00 -0.26 0.00 0.00 60.65 62.47 1ja1 s ILE 242 Cb 0.04 -4.05 -0.04 0.00 1.25 0.00 0.00 42.46 39.66 1ja1 s ILE 242 CO 0.03 0.44 0.13 -0.13 0.24 0.00 0.00 174.94 175.65 1ja1 s ARG 243 N -0.51 2.49 -0.02 0.37 0.52 -1.26 -5.04 118.95 115.50 1ja1 s ARG 243 Ca 0.35 -1.39 0.20 0.00 -0.52 0.00 0.00 55.73 54.37 1ja1 s ARG 243 Cb -0.20 -2.28 -0.29 0.00 0.52 0.00 0.00 34.95 32.70 1ja1 s ARG 243 CO 0.22 0.24 0.58 0.94 0.02 0.00 0.00 175.30 177.29 1ja1 n GLN 244 N -1.11 0.56 -4.44 3.54 -0.06 -1.26 -4.93 117.38 109.69 1ja1 n GLN 244 Ca -0.05 -0.13 -0.22 0.00 -2.00 0.00 0.00 57.00 54.61 1ja1 n GLN 244 Cb 0.60 -1.47 -0.10 0.00 -4.06 0.00 0.00 30.24 25.20 1ja1 n GLN 244 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1ja1 s TYR 245 N -3.25 2.03 -0.08 3.69 2.02 -1.26 -0.40 117.35 120.10 1ja1 s TYR 245 Ca -0.03 -0.59 0.04 0.00 -0.37 0.00 0.00 57.07 56.13 1ja1 s TYR 245 Cb 0.14 -1.09 -0.00 0.00 -0.40 0.00 0.00 41.96 40.61 1ja1 s TYR 245 CO 0.84 0.41 -0.22 -2.00 -1.57 0.00 0.00 175.55 173.01 1ja1 s GLU 246 N -3.66 2.57 0.37 -0.62 2.12 0.27 -4.84 118.70 114.91 1ja1 s GLU 246 Ca 0.29 -0.79 -0.24 0.00 0.36 0.00 0.00 54.97 54.58 1ja1 s GLU 246 Cb 0.02 -2.05 -0.10 0.00 0.26 0.00 0.00 34.13 32.26 1ja1 s GLU 246 CO 0.12 0.22 0.97 -1.17 -0.54 0.00 0.00 175.26 174.87 1ja1 s LEU 247 N 0.21 4.20 -0.26 2.70 2.96 -1.26 -0.64 118.68 126.58 1ja1 s LEU 247 Ca -0.12 1.86 -0.01 0.00 -0.22 0.00 0.00 54.13 55.63 1ja1 s LEU 247 Cb -0.16 -4.17 0.13 0.00 0.50 0.00 0.00 46.19 42.49 1ja1 s LEU 247 CO 0.06 -0.24 0.30 -0.69 -1.32 0.00 0.00 176.35 174.46 1ja1 s VAL 248 N -1.75 -0.44 -0.04 1.68 1.01 -0.78 -4.96 120.40 115.12 1ja1 s VAL 248 Ca 0.55 -0.32 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 1ja1 s VAL 248 Cb -0.17 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1ja1 s VAL 248 CO 0.22 -0.34 0.81 -0.69 0.00 0.00 0.00 175.10 175.10 1ja1 s VAL 249 N 2.40 4.98 -0.67 2.92 1.01 -1.26 -1.44 120.40 128.34 1ja1 s VAL 249 Ca 0.09 1.68 -0.11 0.00 0.00 0.00 0.00 61.98 63.65 1ja1 s VAL 249 Cb -0.14 -4.15 0.17 0.00 0.00 0.00 0.00 36.38 32.26 1ja1 s VAL 249 CO -0.26 0.21 0.57 -1.00 0.00 0.00 0.00 175.10 174.63 1ja1 s HIS 250 N 0.92 3.55 -0.32 5.22 3.76 0.84 -4.85 115.29 124.40 1ja1 s HIS 250 Ca 0.43 -2.05 0.03 0.00 -0.15 0.00 0.00 55.06 53.32 1ja1 s HIS 250 Cb -0.19 -3.61 0.48 0.00 1.11 0.00 0.00 32.58 30.37 1ja1 s HIS 250 CO 0.22 -0.96 1.65 0.39 -0.85 0.00 0.00 174.74 175.19 1ja1 n GLU 251 N 4.21 1.92 0.00 1.40 1.02 -1.26 -4.22 120.64 123.71 1ja1 n GLU 251 Ca 0.04 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 1ja1 n GLU 251 Cb 0.43 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1ja1 n GLU 251 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ja1 n ASP 252 N -0.66 0.00 -4.92 1.62 3.85 -1.26 -5.12 116.55 110.06 1ja1 n ASP 252 Ca 0.42 0.00 -0.26 0.00 -0.71 0.00 0.00 54.79 54.24 1ja1 n ASP 252 Cb 1.33 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 41.09 1ja1 n ASP 252 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ja1 s MET 253 N -0.42 3.54 0.36 0.11 0.23 -1.26 -5.04 119.30 116.82 1ja1 s MET 253 Ca 0.00 -0.08 -0.26 0.00 -1.03 0.00 0.00 55.69 54.32 1ja1 s MET 253 Cb 0.00 -2.57 -0.09 0.00 -1.53 0.00 0.00 34.83 30.64 1ja1 s MET 253 CO 0.00 0.05 1.09 0.16 -2.03 0.00 0.00 175.02 174.29 1ja1 s ASP 254 N -3.86 6.87 0.46 -1.18 -4.77 -1.26 -4.97 116.67 107.97 1ja1 s ASP 254 Ca 0.43 2.18 0.16 0.00 -3.30 0.00 0.00 52.55 52.02 1ja1 s ASP 254 Cb -0.10 -2.60 1.08 0.00 -1.09 0.00 0.00 42.92 40.21 1ja1 s ASP 254 CO 0.37 -0.42 2.02 -0.37 0.70 0.00 0.00 175.17 177.48 1ja1 h VAL 255 N 2.51 1.07 0.00 2.11 -1.51 -1.97 -2.62 116.25 115.84 1ja1 h VAL 255 Ca -0.48 -0.53 -0.02 0.00 -1.23 0.00 0.00 66.70 64.44 1ja1 h VAL 255 Cb 1.22 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1ja1 h VAL 255 CO 0.64 0.15 -0.09 0.00 -1.23 0.00 0.00 177.57 177.04 1ja1 h ALA 256 N 1.85 1.63 -0.18 5.19 0.00 -2.04 -1.60 119.26 124.10 1ja1 h ALA 256 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ja1 h ALA 256 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ja1 h ALA 256 CO 0.02 0.11 0.00 1.63 0.00 0.00 0.00 179.25 181.01 1ja1 n LYS 257 N -4.10 1.61 -3.60 0.00 5.02 -0.98 -4.86 118.16 111.23 1ja1 n LYS 257 Ca -0.03 -0.92 -0.37 0.00 -2.02 0.00 0.00 58.31 54.98 1ja1 n LYS 257 Cb 0.17 -1.32 -0.09 0.00 -0.02 0.00 0.00 35.03 33.77 1ja1 n LYS 257 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ja1 s VAL 258 N -1.76 5.33 0.24 -0.18 1.01 -0.60 -4.41 120.40 120.02 1ja1 s VAL 258 Ca 0.27 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 1ja1 s VAL 258 Cb 0.14 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 1ja1 s VAL 258 CO 0.21 0.33 1.46 -0.31 0.00 0.00 0.00 175.10 176.79 1ja1 s TYR 259 N 1.06 3.02 -0.16 5.22 1.51 0.31 -4.93 117.35 123.37 1ja1 s TYR 259 Ca 0.10 0.97 0.15 0.00 -1.01 0.00 0.00 57.07 57.29 1ja1 s TYR 259 Cb -0.14 -3.84 0.34 0.00 -0.11 0.00 0.00 41.96 38.22 1ja1 s TYR 259 CO 0.05 -2.79 1.18 0.25 -1.11 0.00 0.00 175.55 173.13 1ja1 n THR 260 N 2.55 1.97 0.00 -0.71 -2.24 -1.26 -4.42 114.28 110.17 1ja1 n THR 260 Ca 0.08 -2.63 0.00 0.00 -2.27 0.00 0.00 64.05 59.23 1ja1 n THR 260 Cb 0.40 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1ja1 n THR 260 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ja1 n GLY 261 N -1.26 1.14 3.74 3.38 0.00 -1.26 -5.04 105.19 105.89 1ja1 n GLY 261 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1ja1 n GLY 261 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ja1 s GLU 262 N 0.00 2.47 -0.04 1.61 8.01 -1.26 -4.95 118.70 124.53 1ja1 s GLU 262 Ca 0.00 1.79 0.10 0.00 0.01 0.00 0.00 54.97 56.88 1ja1 s GLU 262 Cb 0.00 -1.87 -0.23 0.00 -4.31 0.00 0.00 34.13 27.72 1ja1 s GLU 262 CO 0.00 -1.59 0.68 0.52 0.01 0.00 0.00 175.26 174.88 1ja1 h MET 263 N 0.16 0.03 0.00 1.61 2.86 -1.94 -3.46 114.93 114.19 1ja1 h MET 263 Ca -0.49 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 1ja1 h MET 263 Cb 1.30 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1ja1 h MET 263 CO 0.52 0.60 0.00 0.41 1.06 0.00 0.00 176.91 179.50 1ja1 n GLY 264 N 1.58 0.87 3.73 8.32 0.00 -1.19 -4.85 105.19 113.66 1ja1 n GLY 264 Ca -0.17 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1ja1 n GLY 264 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ja1 s ARG 265 N 0.41 4.47 0.31 1.61 3.52 -1.26 -4.97 118.95 123.05 1ja1 s ARG 265 Ca 0.00 1.84 -0.29 0.00 -0.13 0.00 0.00 55.73 57.15 1ja1 s ARG 265 Cb 0.00 -3.28 -0.12 0.00 -1.56 0.00 0.00 34.95 29.99 1ja1 s ARG 265 CO 0.00 -0.14 1.39 -0.11 -0.81 0.00 0.00 175.30 175.63 1ja1 n LEU 266 N 2.99 3.68 0.00 -0.88 7.94 -1.26 -1.91 117.00 127.56 1ja1 n LEU 266 Ca 0.06 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 1ja1 n LEU 266 Cb 0.45 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.90 1ja1 n LEU 266 CO 0.56 -0.32 0.00 0.29 -1.11 0.00 0.00 177.39 176.80 1ja1 n LYS 267 N 1.17 0.00 0.30 1.96 4.01 -1.26 -4.90 118.16 119.43 1ja1 n LYS 267 Ca 0.07 0.00 0.16 0.00 -0.51 0.00 0.00 58.31 58.03 1ja1 n LYS 267 Cb 0.35 -2.67 0.93 0.00 -0.51 0.00 0.00 35.03 33.13 1ja1 n LYS 267 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1ja1 h SER 268 N 0.00 0.00 0.55 4.39 4.64 -1.60 0.13 113.55 121.66 1ja1 h SER 268 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1ja1 h SER 268 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ja1 h SER 268 CO 0.00 0.03 -0.88 1.88 -0.87 0.00 0.00 176.83 176.99 1ja1 h TYR 269 N 0.00 0.33 0.00 4.77 -1.99 -1.91 -3.31 116.97 114.86 1ja1 h TYR 269 Ca -0.00 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.55 1ja1 h TYR 269 Cb 0.11 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1ja1 h TYR 269 CO 0.00 0.99 -0.00 1.49 -0.00 0.00 0.00 178.16 180.64 1ja1 h GLU 270 N 0.12 -0.00 -4.01 4.88 4.81 -1.66 -3.41 114.58 115.31 1ja1 h GLU 270 Ca -0.05 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.43 1ja1 h GLU 270 Cb 1.51 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.62 1ja1 h GLU 270 CO 0.14 0.76 -0.18 -0.80 -0.73 0.00 0.00 179.01 178.20 1ja1 s ASN 271 N -6.05 6.17 -0.32 1.04 0.01 0.34 -5.03 114.94 111.09 1ja1 s ASN 271 Ca -0.15 -2.19 -0.27 0.00 -0.71 0.00 0.00 52.86 49.54 1ja1 s ASN 271 Cb -0.02 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.52 1ja1 s ASN 271 CO 0.53 -0.69 0.96 -1.10 -1.51 0.00 0.00 177.10 175.30 1ja1 s GLN 272 N 0.95 4.01 -0.13 -0.60 -1.52 -1.25 -4.48 119.66 116.65 1ja1 s GLN 272 Ca 0.09 0.86 0.01 0.00 -1.95 0.00 0.00 55.36 54.38 1ja1 s GLN 272 Cb -0.22 -3.74 0.02 0.00 -0.22 0.00 0.00 33.01 28.85 1ja1 s GLN 272 CO -0.02 -0.82 -0.17 0.15 -0.25 0.00 0.00 175.29 174.18 1ja1 s LYS 273 N 3.38 2.49 0.64 2.91 -0.14 -1.26 -5.12 119.74 122.65 1ja1 s LYS 273 Ca 0.40 -0.65 -0.17 0.00 -1.36 0.00 0.00 55.97 54.19 1ja1 s LYS 273 Cb -0.13 -2.14 -0.01 0.00 -1.68 0.00 0.00 37.83 33.88 1ja1 s LYS 273 CO 0.14 -0.12 1.22 -2.14 -0.76 0.00 0.00 175.35 173.69 1ja1 s PRO 274 N 1.14 2.65 0.28 -1.68 0.02 -1.26 -4.51 135.00 131.65 1ja1 s PRO 274 Ca -0.02 1.83 -0.22 0.00 0.02 0.00 0.00 61.00 62.61 1ja1 s PRO 274 Cb -0.14 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 1ja1 s PRO 274 CO -0.06 -1.46 0.84 -1.25 -0.33 0.00 0.00 177.00 174.74 1ja1 s PRO 275 N -3.54 4.39 -0.19 5.54 0.04 -1.26 -5.17 135.00 134.81 1ja1 s PRO 275 Ca 0.77 1.08 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 1ja1 s PRO 275 Cb -0.31 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1ja1 s PRO 275 CO 0.38 0.31 0.09 -0.06 0.04 0.00 0.00 177.00 177.76 1ja1 s PHE 276 N -1.63 3.30 0.00 0.56 0.08 -1.26 -4.86 117.98 114.17 1ja1 s PHE 276 Ca 0.48 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.68 1ja1 s PHE 276 Cb -0.17 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 1ja1 s PHE 276 CO 0.22 0.18 0.00 -0.40 -0.10 0.00 0.00 175.22 175.12 1ja1 n ASP 277 N 3.61 0.00 -0.30 1.36 3.85 -0.72 -4.78 116.55 119.57 1ja1 n ASP 277 Ca -0.16 -0.84 0.19 0.00 -0.71 0.00 0.00 54.79 53.27 1ja1 n ASP 277 Cb 0.52 0.00 0.46 0.00 -1.35 0.00 0.00 41.12 40.75 1ja1 n ASP 277 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ja1 h ALA 278 N 1.57 2.07 0.00 2.12 0.00 -1.93 0.43 119.26 123.51 1ja1 h ALA 278 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ja1 h ALA 278 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ja1 h ALA 278 CO 0.00 -0.42 -0.63 1.63 0.00 0.00 0.00 179.25 179.83 1ja1 n LYS 279 N -4.62 0.12 -3.13 0.00 5.02 -1.26 -4.44 118.16 109.84 1ja1 n LYS 279 Ca 0.23 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.33 1ja1 n LYS 279 Cb 0.73 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 1ja1 n LYS 279 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ja1 n ASN 280 N -1.73 -0.05 -4.74 4.39 4.05 -0.01 -3.14 115.26 114.03 1ja1 n ASN 280 Ca 0.04 -2.87 -0.37 0.00 0.45 0.00 0.00 54.58 51.83 1ja1 n ASN 280 Cb 0.38 -0.30 0.06 0.00 1.23 0.00 0.00 39.78 41.15 1ja1 n ASN 280 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1ja1 s PRO 281 N -1.26 2.69 -0.11 1.20 0.04 -0.32 -1.75 135.00 135.48 1ja1 s PRO 281 Ca 0.35 2.09 -0.18 0.00 0.04 0.00 0.00 61.00 63.31 1ja1 s PRO 281 Cb 0.23 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 1ja1 s PRO 281 CO -0.11 -1.50 0.47 0.12 0.04 0.00 0.00 177.00 176.02 1ja1 s PHE 282 N -1.38 3.53 -0.71 0.56 2.19 0.15 -4.69 117.98 117.62 1ja1 s PHE 282 Ca 0.80 0.90 -0.25 0.00 0.33 0.00 0.00 56.93 58.71 1ja1 s PHE 282 Cb -0.38 -2.54 0.05 0.00 -1.31 0.00 0.00 43.02 38.84 1ja1 s PHE 282 CO 0.41 0.19 1.15 -0.51 1.83 0.00 0.00 175.22 178.29 1ja1 s LEU 283 N 0.52 3.70 -0.06 6.12 1.02 -1.26 -0.37 118.68 128.35 1ja1 s LEU 283 Ca 0.26 -0.70 -0.20 0.00 0.02 0.00 0.00 54.13 53.51 1ja1 s LEU 283 Cb -0.15 -2.50 -0.05 0.00 0.02 0.00 0.00 46.19 43.51 1ja1 s LEU 283 CO 0.10 -1.66 0.56 0.00 0.02 0.00 0.00 176.35 175.37 1ja1 s ALA 284 N 5.00 3.46 0.16 4.21 0.00 -0.04 -4.57 121.76 129.98 1ja1 s ALA 284 Ca 0.30 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.90 1ja1 s ALA 284 Cb -0.12 -2.72 -0.07 0.00 0.00 0.00 0.00 23.12 20.21 1ja1 s ALA 284 CO 0.13 0.07 1.07 0.00 0.00 0.00 0.00 175.76 177.02 1ja1 s ALA 285 N 0.27 3.34 -0.54 0.00 0.00 -1.23 -0.39 121.76 123.21 1ja1 s ALA 285 Ca 0.30 0.76 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1ja1 s ALA 285 Cb -0.17 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.64 1ja1 s ALA 285 CO 0.14 -0.17 1.18 0.08 0.00 0.00 0.00 175.76 176.99 1ja1 s VAL 286 N -0.12 4.08 -0.58 0.00 1.01 -0.54 -0.82 120.40 123.44 1ja1 s VAL 286 Ca 0.49 1.03 0.23 0.00 0.00 0.00 0.00 61.98 63.73 1ja1 s VAL 286 Cb -0.28 -4.67 -0.08 0.00 0.00 0.00 0.00 36.38 31.35 1ja1 s VAL 286 CO 0.33 -1.21 1.08 0.35 0.00 0.00 0.00 175.10 175.65 1ja1 n THR 287 N 6.76 0.24 -3.70 3.92 -2.24 -0.34 -2.91 114.28 116.01 1ja1 n THR 287 Ca 0.10 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1ja1 n THR 287 Cb 0.49 0.09 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 1ja1 n THR 287 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ja1 s ALA 288 N -3.21 -1.14 -0.38 6.98 0.00 -1.21 -4.76 121.76 118.03 1ja1 s ALA 288 Ca 0.04 1.03 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1ja1 s ALA 288 Cb 0.14 -0.41 0.18 0.00 0.00 0.00 0.00 23.12 23.03 1ja1 s ALA 288 CO 0.79 -0.26 0.58 1.21 0.00 0.00 0.00 175.76 178.08 1ja1 s ASN 289 N -0.43 -1.11 0.12 0.00 3.84 -1.24 -1.24 114.94 114.88 1ja1 s ASN 289 Ca -0.06 -0.69 0.10 0.00 0.21 0.00 0.00 52.86 52.42 1ja1 s ASN 289 Cb -0.03 1.76 -0.04 0.00 -0.55 0.00 0.00 41.25 42.39 1ja1 s ASN 289 CO 0.03 -0.21 -0.25 0.00 -2.79 0.00 0.00 177.10 173.88 1ja1 s ARG 290 N 2.01 1.29 -0.09 0.43 1.70 0.16 -4.93 118.95 119.51 1ja1 s ARG 290 Ca 0.15 -1.28 -0.30 0.00 -0.47 0.00 0.00 55.73 53.83 1ja1 s ARG 290 Cb -0.07 -1.70 -0.04 0.00 -0.57 0.00 0.00 34.95 32.57 1ja1 s ARG 290 CO -0.11 0.40 1.46 0.21 -1.08 0.00 0.00 175.30 176.18 1ja1 s LYS 291 N -2.01 4.22 -0.06 3.89 2.20 -1.26 -0.61 119.74 126.11 1ja1 s LYS 291 Ca 0.11 1.94 -0.11 0.00 -0.36 0.00 0.00 55.97 57.55 1ja1 s LYS 291 Cb -0.10 -3.84 -0.30 0.00 -1.51 0.00 0.00 37.83 32.08 1ja1 s LYS 291 CO 0.05 -0.75 0.63 -0.07 -0.36 0.00 0.00 175.35 174.85 1ja1 h LEU 292 N 9.76 0.58 -9.88 5.43 3.38 -0.64 -3.47 115.31 120.48 1ja1 h LEU 292 Ca -0.34 -0.93 -0.48 0.00 0.09 0.00 0.00 57.88 56.22 1ja1 h LEU 292 Cb 1.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1ja1 h LEU 292 CO 0.95 1.78 0.30 0.54 0.09 0.00 0.00 178.44 182.10 1ja1 s ASN 293 N -7.26 7.29 0.11 -0.43 6.03 -1.24 -4.63 114.94 114.82 1ja1 s ASN 293 Ca -0.17 1.76 -0.13 0.00 -1.03 0.00 0.00 52.86 53.29 1ja1 s ASN 293 Cb 0.05 -2.55 -0.08 0.00 -3.03 0.00 0.00 41.25 35.65 1ja1 s ASN 293 CO 0.84 -0.04 1.42 1.56 -2.03 0.00 0.00 177.10 178.85 1ja1 h GLN 294 N 3.25 0.80 0.00 3.55 7.50 -1.68 -3.46 115.11 125.06 1ja1 h GLN 294 Ca -0.47 -0.44 0.00 0.00 0.50 0.00 0.00 58.65 58.24 1ja1 h GLN 294 Cb 1.19 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1ja1 h GLN 294 CO 0.65 1.08 0.00 0.41 -1.50 0.00 0.00 178.83 179.47 1ja1 n GLY 295 N 0.22 0.26 0.21 3.46 0.00 0.24 -4.94 105.19 104.64 1ja1 n GLY 295 Ca -0.04 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.17 1ja1 n GLY 295 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ja1 n THR 296 N -1.37 1.04 -0.37 2.61 -2.24 -1.26 -4.71 114.28 107.98 1ja1 n THR 296 Ca 0.00 -1.24 -0.02 0.00 -2.27 0.00 0.00 64.05 60.52 1ja1 n THR 296 Cb 0.00 0.15 0.12 0.00 -2.10 0.00 0.00 70.33 68.50 1ja1 n THR 296 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ja1 h GLU 297 N 0.00 1.32 0.00 -0.78 5.08 -1.97 -3.44 114.58 114.78 1ja1 h GLU 297 Ca 0.00 -0.08 -0.32 0.00 -1.00 0.00 0.00 59.36 57.96 1ja1 h GLU 297 Cb 1.10 -0.30 -0.08 0.00 0.50 0.00 0.00 28.75 29.97 1ja1 h GLU 297 CO 0.00 0.87 -0.30 0.54 -1.00 0.00 0.00 179.01 179.12 1ja1 n ARG 298 N -4.38 0.38 -3.89 2.33 1.74 -1.26 -5.15 116.66 106.43 1ja1 n ARG 298 Ca 0.12 -2.19 -0.28 0.00 -0.77 0.00 0.00 57.85 54.73 1ja1 n ARG 298 Cb 0.01 1.62 -0.16 0.00 -1.02 0.00 0.00 32.46 32.91 1ja1 n ARG 298 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ja1 s HIS 299 N -2.79 1.75 -0.08 -1.55 5.65 -1.26 -4.94 115.29 112.07 1ja1 s HIS 299 Ca 0.22 -1.16 0.02 0.00 0.25 0.00 0.00 55.06 54.39 1ja1 s HIS 299 Cb 0.01 -1.33 -0.02 0.00 -1.18 0.00 0.00 32.58 30.06 1ja1 s HIS 299 CO 0.16 -0.64 -0.13 -0.51 -0.65 0.00 0.00 174.74 172.97 1ja1 s LEU 300 N 1.62 2.75 0.07 8.88 1.02 -1.26 -0.80 118.68 130.95 1ja1 s LEU 300 Ca -0.00 -0.24 0.05 0.00 0.02 0.00 0.00 54.13 53.96 1ja1 s LEU 300 Cb -0.16 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 1ja1 s LEU 300 CO -0.08 0.27 -0.13 0.00 0.02 0.00 0.00 176.35 176.44 1ja1 s MET 301 N -0.30 0.78 -0.20 1.70 0.23 0.34 0.14 119.30 121.99 1ja1 s MET 301 Ca 0.03 -0.96 -0.01 0.00 -1.03 0.00 0.00 55.69 53.73 1ja1 s MET 301 Cb -0.13 -0.72 0.02 0.00 -1.53 0.00 0.00 34.83 32.47 1ja1 s MET 301 CO 0.03 0.15 -0.13 -1.58 -2.03 0.00 0.00 175.02 171.45 1ja1 s HIS 302 N -1.43 2.89 0.06 3.16 2.46 0.22 -1.55 115.29 121.12 1ja1 s HIS 302 Ca -0.02 -1.49 0.09 0.00 0.47 0.00 0.00 55.06 54.10 1ja1 s HIS 302 Cb -0.09 -1.99 -0.03 0.00 -0.13 0.00 0.00 32.58 30.34 1ja1 s HIS 302 CO 0.02 -0.74 -0.23 -0.51 -2.47 0.00 0.00 174.74 170.82 1ja1 s LEU 303 N 1.33 2.41 -0.14 8.88 1.02 -0.09 -0.67 118.68 131.43 1ja1 s LEU 303 Ca 0.04 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.65 1ja1 s LEU 303 Cb -0.14 -1.39 0.02 0.00 0.02 0.00 0.00 46.19 44.70 1ja1 s LEU 303 CO -0.09 0.24 -0.17 -1.61 0.02 0.00 0.00 176.35 174.74 1ja1 s GLU 304 N -1.54 2.55 -0.20 1.70 2.02 -0.37 -0.18 118.70 122.68 1ja1 s GLU 304 Ca 0.14 -0.67 -0.06 0.00 0.02 0.00 0.00 54.97 54.40 1ja1 s GLU 304 Cb -0.10 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.91 1ja1 s GLU 304 CO 0.05 -0.13 0.04 -0.51 0.02 0.00 0.00 175.26 174.72 1ja1 s LEU 305 N 1.15 3.49 -0.33 1.80 1.43 0.09 -1.19 118.68 125.12 1ja1 s LEU 305 Ca -0.01 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1ja1 s LEU 305 Cb -0.14 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.20 1ja1 s LEU 305 CO -0.06 0.09 1.14 -0.62 0.23 0.00 0.00 176.35 177.13 1ja1 s ASP 306 N 0.88 6.83 -0.19 2.29 3.68 0.00 -1.21 116.67 128.95 1ja1 s ASP 306 Ca 0.02 1.03 0.16 0.00 2.13 0.00 0.00 52.55 55.89 1ja1 s ASP 306 Cb -0.14 -2.54 0.53 0.00 -1.45 0.00 0.00 42.92 39.31 1ja1 s ASP 306 CO 0.02 -0.98 1.43 2.30 0.13 0.00 0.00 175.17 178.07 1ja1 n ILE 307 N 6.07 2.32 -1.70 4.11 -5.35 -0.18 -3.56 119.36 121.07 1ja1 n ILE 307 Ca 0.13 -1.97 -0.42 0.00 -0.27 0.00 0.00 62.75 60.22 1ja1 n ILE 307 Cb 0.47 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 1ja1 n ILE 307 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1ja1 n SER 308 N -0.59 2.68 0.00 7.28 7.64 -1.21 -2.02 113.62 127.39 1ja1 n SER 308 Ca 0.23 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1ja1 n SER 308 Cb 0.91 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1ja1 n SER 308 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ja1 n ASP 309 N 0.46 -2.00 0.11 6.43 8.00 -1.26 -4.83 116.55 123.46 1ja1 n ASP 309 Ca 0.06 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.68 1ja1 n ASP 309 Cb 0.38 -2.17 0.25 0.00 -0.02 0.00 0.00 41.12 39.56 1ja1 n ASP 309 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1ja1 h SER 310 N 0.00 0.00 0.00 -2.24 4.64 -1.81 -3.47 113.55 110.67 1ja1 h SER 310 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1ja1 h SER 310 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1ja1 h SER 310 CO 0.00 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1ja1 n LYS 311 N -2.42 -0.21 -2.29 4.77 4.76 -1.26 -4.63 118.16 116.88 1ja1 n LYS 311 Ca 0.04 0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 55.12 1ja1 n LYS 311 Cb 0.46 -3.35 -0.03 0.00 -1.84 0.00 0.00 35.03 30.27 1ja1 n LYS 311 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1ja1 s ILE 312 N -2.56 3.31 0.10 -0.18 1.01 -1.26 -5.04 121.20 116.58 1ja1 s ILE 312 Ca 0.00 1.13 0.10 0.00 0.00 0.00 0.00 60.65 61.88 1ja1 s ILE 312 Cb 0.00 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1ja1 s ILE 312 CO 0.00 0.19 -0.23 -0.13 0.00 0.00 0.00 174.94 174.77 1ja1 s ARG 313 N -0.48 1.64 0.26 2.79 1.81 -1.26 -5.02 118.95 118.69 1ja1 s ARG 313 Ca 0.53 -1.23 -0.21 0.00 -1.72 0.00 0.00 55.73 53.10 1ja1 s ARG 313 Cb -0.35 -2.00 0.03 0.00 -0.45 0.00 0.00 34.95 32.17 1ja1 s ARG 313 CO 0.40 0.48 0.70 1.52 -0.68 0.00 0.00 175.30 177.72 1ja1 s TYR 314 N -1.03 -0.23 0.06 -0.53 -0.85 -1.26 -4.95 117.35 108.55 1ja1 s TYR 314 Ca 0.15 -0.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.51 1ja1 s TYR 314 Cb -0.10 0.69 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 1ja1 s TYR 314 CO 0.07 -1.19 -0.05 -1.21 -1.52 0.00 0.00 175.55 171.64 1ja1 s GLU 315 N -3.90 0.59 0.25 -3.49 0.41 -1.26 -4.52 118.70 106.78 1ja1 s GLU 315 Ca 0.10 -1.01 -0.31 0.00 -0.41 0.00 0.00 54.97 53.34 1ja1 s GLU 315 Cb -0.05 -0.05 -0.13 0.00 -1.78 0.00 0.00 34.13 32.12 1ja1 s GLU 315 CO 0.04 -0.03 1.51 0.43 -0.49 0.00 0.00 175.26 176.72 1ja1 n SER 316 N 0.72 3.24 0.00 -0.19 7.64 -1.26 -1.45 113.62 122.32 1ja1 n SER 316 Ca -0.18 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1ja1 n SER 316 Cb 0.58 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1ja1 n SER 316 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ja1 n GLY 317 N 2.38 2.30 3.72 0.23 0.00 -1.26 -4.66 105.19 107.91 1ja1 n GLY 317 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1ja1 n GLY 317 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ja1 s ASP 318 N -0.75 2.55 0.08 1.61 1.01 -0.53 -4.61 116.67 116.05 1ja1 s ASP 318 Ca 0.00 0.88 0.08 0.00 0.71 0.00 0.00 52.55 54.22 1ja1 s ASP 318 Cb 0.00 -1.36 -0.04 0.00 1.01 0.00 0.00 42.92 42.54 1ja1 s ASP 318 CO 0.00 -3.14 -0.18 -1.00 0.21 0.00 0.00 175.17 171.07 1ja1 s HIS 319 N -3.18 2.55 -0.10 4.23 3.76 -0.74 -1.07 115.29 120.75 1ja1 s HIS 319 Ca 0.67 -0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 1ja1 s HIS 319 Cb -0.14 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.13 1ja1 s HIS 319 CO 0.55 0.33 -0.12 0.54 -0.85 0.00 0.00 174.74 175.19 1ja1 s VAL 320 N -1.06 3.18 -0.00 -0.90 0.11 0.38 -0.90 120.40 121.22 1ja1 s VAL 320 Ca 0.17 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1ja1 s VAL 320 Cb -0.11 -2.30 -0.03 0.00 -1.53 0.00 0.00 36.38 32.41 1ja1 s VAL 320 CO 0.08 0.55 -0.04 0.00 -3.33 0.00 0.00 175.10 172.36 1ja1 s ALA 321 N -0.14 3.11 0.04 1.54 0.00 0.34 -0.80 121.76 125.86 1ja1 s ALA 321 Ca -0.00 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1ja1 s ALA 321 Cb -0.13 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1ja1 s ALA 321 CO 0.03 0.62 -0.15 0.14 0.00 0.00 0.00 175.76 176.41 1ja1 s VAL 322 N -1.02 1.18 -0.41 0.00 -7.23 -0.40 -2.03 120.40 110.48 1ja1 s VAL 322 Ca 0.18 -1.06 -0.09 0.00 -1.81 0.00 0.00 61.98 59.19 1ja1 s VAL 322 Cb -0.11 -1.07 0.07 0.00 0.56 0.00 0.00 36.38 35.83 1ja1 s VAL 322 CO 0.08 0.00 0.25 -0.31 -0.31 0.00 0.00 175.10 174.82 1ja1 s TYR 323 N -0.89 3.33 0.89 2.82 1.51 -0.67 -1.18 117.35 123.16 1ja1 s TYR 323 Ca 0.02 -1.48 -0.11 0.00 -1.01 0.00 0.00 57.07 54.49 1ja1 s TYR 323 Cb -0.08 -2.91 0.19 0.00 -0.11 0.00 0.00 41.96 39.04 1ja1 s TYR 323 CO 0.01 -0.83 1.22 -1.25 -1.11 0.00 0.00 175.55 173.60 1ja1 s PRO 324 N 1.44 0.89 -0.05 -1.71 0.04 -1.26 -4.43 135.00 129.91 1ja1 s PRO 324 Ca 0.03 -0.71 0.05 0.00 0.04 0.00 0.00 61.00 60.41 1ja1 s PRO 324 Cb -0.23 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1ja1 s PRO 324 CO 0.02 -2.15 -0.21 0.00 0.04 0.00 0.00 177.00 174.71 1ja1 s ALA 325 N -3.66 1.83 0.87 8.56 0.00 -1.26 -4.75 121.76 123.35 1ja1 s ALA 325 Ca 0.72 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 1ja1 s ALA 325 Cb -0.04 -0.60 0.12 0.00 0.00 0.00 0.00 23.12 22.60 1ja1 s ALA 325 CO 0.50 0.33 1.10 -0.80 0.00 0.00 0.00 175.76 176.90 1ja1 s ASN 326 N -0.01 3.53 0.11 0.00 0.01 0.36 -4.78 114.94 114.16 1ja1 s ASN 326 Ca -0.05 1.83 -0.31 0.00 -0.71 0.00 0.00 52.86 53.62 1ja1 s ASN 326 Cb -0.13 -2.44 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 1ja1 s ASN 326 CO 0.03 -2.66 1.75 -0.62 -1.51 0.00 0.00 177.10 174.09 1ja1 s ASP 327 N -3.12 6.49 0.53 -1.22 -1.08 -1.26 -4.89 116.67 112.12 1ja1 s ASP 327 Ca 0.64 2.66 0.18 0.00 -0.52 0.00 0.00 52.55 55.50 1ja1 s ASP 327 Cb -0.20 -2.57 1.34 0.00 -1.46 0.00 0.00 42.92 40.03 1ja1 s ASP 327 CO 0.57 -0.95 2.16 0.77 0.52 0.00 0.00 175.17 178.24 1ja1 h SER 328 N 8.33 0.00 -0.14 -0.34 4.64 -1.99 -2.45 113.55 121.60 1ja1 h SER 328 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1ja1 h SER 328 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ja1 h SER 328 CO 0.94 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.86 1ja1 h ALA 329 N 2.00 0.20 -0.05 5.18 0.00 -1.99 -1.32 119.26 123.28 1ja1 h ALA 329 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ja1 h ALA 329 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ja1 h ALA 329 CO -0.00 -0.04 -0.03 -0.07 0.00 0.00 0.00 179.25 179.12 1ja1 h LEU 330 N -0.03 -0.08 -0.27 0.00 3.38 -1.86 -0.46 115.31 115.99 1ja1 h LEU 330 Ca 0.04 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1ja1 h LEU 330 Cb 0.48 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1ja1 h LEU 330 CO 0.02 -0.04 -0.14 0.58 0.09 0.00 0.00 178.44 178.95 1ja1 h VAL 331 N -0.02 0.57 -0.21 1.22 2.07 -1.45 -0.92 116.25 117.51 1ja1 h VAL 331 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1ja1 h VAL 331 Cb 0.07 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1ja1 h VAL 331 CO -0.06 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.31 1ja1 h ASN 332 N -0.11 -0.08 -0.48 0.57 -0.26 -0.96 -2.19 115.58 112.07 1ja1 h ASN 332 Ca 0.14 0.05 0.02 0.00 -0.56 0.00 0.00 56.30 55.95 1ja1 h ASN 332 Cb 0.33 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.64 1ja1 h ASN 332 CO -0.34 -0.01 0.32 1.56 -1.06 0.00 0.00 177.43 177.90 1ja1 h GLN 333 N 0.07 0.55 -0.31 0.81 4.20 -0.63 0.14 115.11 119.93 1ja1 h GLN 333 Ca 0.10 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1ja1 h GLN 333 Cb 0.12 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ja1 h GLN 333 CO -0.17 0.36 -0.06 0.82 -0.67 0.00 0.00 178.83 179.12 1ja1 h ILE 334 N 0.56 1.27 -0.51 2.54 2.04 -0.72 0.34 117.51 123.04 1ja1 h ILE 334 Ca 0.19 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1ja1 h ILE 334 Cb 0.06 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1ja1 h ILE 334 CO -0.05 0.35 0.15 1.23 0.00 0.00 0.00 178.15 179.84 1ja1 h GLY 335 N 0.37 0.85 0.87 5.37 0.00 -0.69 -2.67 103.07 107.17 1ja1 h GLY 335 Ca 0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1ja1 h GLY 335 CO 0.03 0.47 -0.10 -2.09 0.00 0.00 0.00 176.54 174.85 1ja1 h GLU 336 N 0.69 -0.27 0.00 4.80 4.81 -0.63 0.93 114.58 124.92 1ja1 h GLU 336 Ca 0.16 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1ja1 h GLU 336 Cb 0.28 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1ja1 h GLU 336 CO -0.00 -0.07 -0.07 0.97 -0.73 0.00 0.00 179.01 179.10 1ja1 h ILE 337 N -0.41 0.89 -0.01 2.32 2.10 -0.92 0.44 117.51 121.92 1ja1 h ILE 337 Ca -0.03 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1ja1 h ILE 337 Cb 0.32 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.19 1ja1 h ILE 337 CO 0.05 0.07 -0.39 0.18 -1.08 0.00 0.00 178.15 176.97 1ja1 n LEU 338 N -4.22 1.03 -2.01 2.19 4.77 -1.01 -4.95 117.00 112.80 1ja1 n LEU 338 Ca -0.03 -0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 55.52 1ja1 n LEU 338 Cb 0.15 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1ja1 n LEU 338 CO 0.33 0.20 -0.05 0.61 -1.33 0.00 0.00 177.39 177.15 1ja1 n GLY 339 N 1.40 -0.17 3.90 -0.72 0.00 0.15 -4.95 105.19 104.80 1ja1 n GLY 339 Ca 0.10 -0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1ja1 n GLY 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja1 s ALA 340 N -2.91 3.84 -0.56 4.61 0.00 0.20 -5.02 121.76 121.93 1ja1 s ALA 340 Ca 0.15 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.81 1ja1 s ALA 340 Cb -0.07 -1.65 0.09 0.00 0.00 0.00 0.00 23.12 21.49 1ja1 s ALA 340 CO 0.19 0.50 0.67 0.34 0.00 0.00 0.00 175.76 177.45 1ja1 s ASP 341 N -3.27 6.20 0.61 0.00 -1.08 -1.26 -4.56 116.67 113.30 1ja1 s ASP 341 Ca 0.33 -1.23 0.38 0.00 -0.52 0.00 0.00 52.55 51.52 1ja1 s ASP 341 Cb -0.10 -2.30 1.98 0.00 -1.46 0.00 0.00 42.92 41.04 1ja1 s ASP 341 CO 0.27 -1.02 2.22 -0.07 0.52 0.00 0.00 175.17 177.09 1ja1 h LEU 342 N 9.86 0.00 -0.67 -1.34 3.38 -1.97 -2.65 115.31 121.91 1ja1 h LEU 342 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ja1 h LEU 342 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ja1 h LEU 342 CO 1.05 0.02 0.00 0.47 0.09 0.00 0.00 178.44 180.06 1ja1 n ASP 343 N -3.22 1.01 -4.73 -0.43 10.43 -1.26 -0.81 116.55 117.54 1ja1 n ASP 343 Ca -0.02 -1.67 -0.42 0.00 2.57 0.00 0.00 54.79 55.25 1ja1 n ASP 343 Cb 0.16 -0.08 -0.03 0.00 1.84 0.00 0.00 41.12 43.01 1ja1 n ASP 343 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1ja1 s VAL 344 N -1.85 3.58 -0.18 2.53 1.01 -1.00 -4.88 120.40 119.61 1ja1 s VAL 344 Ca 0.27 1.21 -0.19 0.00 0.00 0.00 0.00 61.98 63.27 1ja1 s VAL 344 Cb 0.14 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1ja1 s VAL 344 CO 0.21 0.14 0.56 -0.63 0.00 0.00 0.00 175.10 175.39 1ja1 s ILE 345 N 0.56 5.08 0.17 2.22 1.01 -1.26 -3.13 121.20 125.85 1ja1 s ILE 345 Ca 0.58 1.06 -0.02 0.00 0.00 0.00 0.00 60.65 62.27 1ja1 s ILE 345 Cb -0.33 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.26 1ja1 s ILE 345 CO 0.33 0.18 0.26 1.15 0.00 0.00 0.00 174.94 176.85 1ja1 n MET 346 N 4.69 0.37 -3.92 2.79 0.00 -0.55 -0.11 117.12 120.38 1ja1 n MET 346 Ca -0.04 -1.26 -0.09 0.00 0.00 0.00 0.00 57.70 56.31 1ja1 n MET 346 Cb 0.50 1.27 -0.07 0.00 0.00 0.00 0.00 33.22 34.92 1ja1 n MET 346 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1ja1 s SER 347 N -2.01 0.11 -0.28 3.17 0.01 -0.52 -1.47 113.70 112.71 1ja1 s SER 347 Ca 0.12 -0.78 -0.01 0.00 1.31 0.00 0.00 55.95 56.59 1ja1 s SER 347 Cb -0.01 0.37 0.09 0.00 0.21 0.00 0.00 66.02 66.68 1ja1 s SER 347 CO 0.09 -0.80 0.07 -0.76 0.41 0.00 0.00 173.24 172.25 1ja1 s LEU 348 N -2.92 2.11 -0.06 2.44 1.43 -1.26 -1.86 118.68 118.57 1ja1 s LEU 348 Ca 0.11 -1.42 -0.14 0.00 -1.03 0.00 0.00 54.13 51.65 1ja1 s LEU 348 Cb 0.04 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 1ja1 s LEU 348 CO -0.06 -0.37 0.35 0.20 0.23 0.00 0.00 176.35 176.70 1ja1 s ASN 349 N 1.63 6.67 0.24 2.29 0.02 0.19 -4.07 114.94 121.90 1ja1 s ASN 349 Ca 0.06 0.79 -0.31 0.00 -1.02 0.00 0.00 52.86 52.38 1ja1 s ASN 349 Cb -0.17 -2.21 -0.11 0.00 0.02 0.00 0.00 41.25 38.78 1ja1 s ASN 349 CO -0.19 0.27 1.57 0.21 0.02 0.00 0.00 177.10 178.98 1ja1 s ASN 350 N -0.66 6.50 0.25 -1.22 3.84 0.12 0.96 114.94 124.72 1ja1 s ASN 350 Ca 0.21 2.79 0.24 0.00 0.21 0.00 0.00 52.86 56.31 1ja1 s ASN 350 Cb -0.15 -2.62 0.95 0.00 -0.55 0.00 0.00 41.25 38.88 1ja1 s ASN 350 CO 0.10 -0.85 1.73 0.18 -2.79 0.00 0.00 177.10 175.47 1ja1 n LEU 351 N 2.91 0.70 -4.41 3.21 4.77 0.46 -4.32 117.00 120.32 1ja1 n LEU 351 Ca 0.10 0.65 -0.44 0.00 -0.03 0.00 0.00 56.01 56.29 1ja1 n LEU 351 Cb 0.38 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1ja1 n LEU 351 CO 0.62 -0.48 0.59 -0.62 -1.33 0.00 0.00 177.39 176.18 1ja1 s ASP 352 N -4.30 6.20 0.28 -1.43 -1.08 -1.26 -4.92 116.67 110.17 1ja1 s ASP 352 Ca 0.06 -1.26 0.02 0.00 -0.52 0.00 0.00 52.55 50.85 1ja1 s ASP 352 Cb 0.10 -2.36 0.62 0.00 -1.46 0.00 0.00 42.92 39.82 1ja1 s ASP 352 CO 0.44 -1.26 1.78 -0.33 0.52 0.00 0.00 175.17 176.31 1ja1 h GLU 353 N 9.34 0.73 0.00 4.34 4.39 -2.00 -2.44 114.58 128.94 1ja1 h GLU 353 Ca -0.27 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1ja1 h GLU 353 Cb 1.08 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1ja1 h GLU 353 CO 1.14 0.48 0.00 0.39 -1.16 0.00 0.00 179.01 179.86 1ja1 n GLU 354 N -4.78 0.01 -2.19 2.33 -0.58 -1.26 -4.89 120.64 109.28 1ja1 n GLU 354 Ca 0.20 0.20 -0.33 0.00 -0.42 0.00 0.00 57.16 56.81 1ja1 n GLU 354 Cb 0.48 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1ja1 n GLU 354 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ja1 s SER 355 N -3.07 5.95 0.26 1.62 0.15 -0.92 -4.95 113.70 112.73 1ja1 s SER 355 Ca 0.09 1.85 0.24 0.00 0.70 0.00 0.00 55.95 58.83 1ja1 s SER 355 Cb 0.12 -2.54 0.50 0.00 -1.71 0.00 0.00 66.02 62.39 1ja1 s SER 355 CO 0.33 -1.05 1.56 0.78 1.20 0.00 0.00 173.24 176.06 1ja1 h ASN 356 N 0.77 0.00 -2.91 5.45 2.35 -1.90 -3.39 115.58 115.95 1ja1 h ASN 356 Ca -0.48 -0.04 -0.76 0.00 -0.55 0.00 0.00 56.30 54.47 1ja1 h ASN 356 Cb 1.22 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.36 1ja1 h ASN 356 CO 0.58 0.02 0.83 -0.75 -1.65 0.00 0.00 177.43 176.46 1ja1 s LYS 357 N -3.17 4.06 0.24 0.81 2.20 -1.26 -4.84 119.74 117.78 1ja1 s LYS 357 Ca 0.08 -2.78 -0.06 0.00 -0.36 0.00 0.00 55.97 52.85 1ja1 s LYS 357 Cb 0.10 -4.79 0.26 0.00 -1.51 0.00 0.00 37.83 31.89 1ja1 s LYS 357 CO 0.66 -1.51 1.86 0.87 -0.36 0.00 0.00 175.35 176.87 1ja1 h LYS 358 N 7.13 1.19 -4.59 4.03 1.57 -1.94 -3.40 116.57 120.55 1ja1 h LYS 358 Ca 0.23 -0.15 -0.24 0.00 -1.87 0.00 0.00 60.65 58.62 1ja1 h LYS 358 Cb 0.90 -0.23 -0.18 0.00 0.08 0.00 0.00 32.23 32.81 1ja1 h LYS 358 CO 1.10 0.88 -0.71 -1.01 -0.57 0.00 0.00 179.45 179.14 1ja1 s HIS 359 N -5.75 0.78 -0.32 -1.35 3.76 -1.26 -0.70 115.29 110.44 1ja1 s HIS 359 Ca -0.12 -0.74 0.27 0.00 -0.15 0.00 0.00 55.06 54.32 1ja1 s HIS 359 Cb 0.17 -0.46 1.07 0.00 1.11 0.00 0.00 32.58 34.47 1ja1 s HIS 359 CO 0.82 -0.13 1.80 -1.00 -0.85 0.00 0.00 174.74 175.38 1ja1 h PRO 360 N 3.65 0.00 -2.43 8.40 0.13 -1.87 -3.46 132.00 136.43 1ja1 h PRO 360 Ca -0.35 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.93 1ja1 h PRO 360 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1ja1 h PRO 360 CO 0.54 0.00 0.45 -0.59 -0.23 0.00 0.00 178.00 178.17 1ja1 s PHE 361 N -3.40 -0.16 -0.17 1.56 -0.71 -1.26 -4.96 117.98 108.88 1ja1 s PHE 361 Ca 0.04 -0.15 -0.38 0.00 -1.04 0.00 0.00 56.93 55.39 1ja1 s PHE 361 Cb 0.09 0.64 -0.15 0.00 -1.21 0.00 0.00 43.02 42.39 1ja1 s PHE 361 CO 0.46 -0.86 1.68 -2.30 -1.34 0.00 0.00 175.22 172.86 1ja1 n PRO 362 N -0.45 1.33 -4.10 1.99 -0.02 -1.26 -4.95 135.00 127.54 1ja1 n PRO 362 Ca -0.06 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1ja1 n PRO 362 Cb 0.61 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 1ja1 n PRO 362 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ja1 s PRO 364 N -2.41 3.23 0.17 0.00 0.04 -1.26 -4.90 135.00 129.87 1ja1 s PRO 364 Ca -0.02 1.28 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 1ja1 s PRO 364 Cb -0.04 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.54 1ja1 s PRO 364 CO -0.02 -0.89 0.89 -0.08 0.04 0.00 0.00 177.00 176.94 1ja1 s THR 365 N -2.36 0.00 0.37 1.26 -1.32 -0.54 -0.53 115.64 112.52 1ja1 s THR 365 Ca 0.65 -0.66 -0.03 0.00 -1.21 0.00 0.00 61.69 60.44 1ja1 s THR 365 Cb -0.18 -1.88 -0.04 0.00 -1.51 0.00 0.00 72.50 68.90 1ja1 s THR 365 CO 0.36 0.00 0.62 0.42 -2.21 0.00 0.00 174.62 173.82 1ja1 s THR 366 N -3.43 5.02 0.27 5.08 -4.23 -1.26 -1.49 115.64 115.60 1ja1 s THR 366 Ca 0.11 -0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.46 1ja1 s THR 366 Cb -0.02 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.25 1ja1 s THR 366 CO 0.02 -0.58 1.94 1.88 -0.54 0.00 0.00 174.62 177.33 1ja1 h TYR 367 N 0.85 1.17 -0.11 3.99 0.05 -1.31 -0.90 116.97 120.71 1ja1 h TYR 367 Ca -0.48 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.33 1ja1 h TYR 367 Cb 1.21 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 1ja1 h TYR 367 CO 0.55 0.72 0.05 -0.09 -1.05 0.00 0.00 178.16 178.33 1ja1 h ARG 368 N 1.25 0.10 -0.64 4.88 2.43 -1.30 0.30 114.38 121.40 1ja1 h ARG 368 Ca 0.36 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1ja1 h ARG 368 Cb -0.09 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1ja1 h ARG 368 CO -0.09 0.07 0.39 1.15 -1.51 0.00 0.00 179.97 179.98 1ja1 h THR 369 N 0.11 1.18 -0.49 0.20 2.02 -1.68 -0.01 112.91 114.24 1ja1 h THR 369 Ca 0.04 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1ja1 h THR 369 Cb 0.01 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1ja1 h THR 369 CO -0.04 0.19 0.22 0.00 0.37 0.00 0.00 175.52 176.27 1ja1 h ALA 370 N 1.20 0.63 0.00 6.16 0.00 -0.82 0.13 119.26 126.55 1ja1 h ALA 370 Ca 0.23 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ja1 h ALA 370 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ja1 h ALA 370 CO -0.04 0.20 -0.32 -0.07 0.00 0.00 0.00 179.25 179.02 1ja1 h LEU 371 N 0.64 0.00 0.12 0.00 3.38 -0.70 0.08 115.31 118.83 1ja1 h LEU 371 Ca 0.17 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.89 1ja1 h LEU 371 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ja1 h LEU 371 CO -0.02 0.32 -1.22 0.74 0.09 0.00 0.00 178.44 178.35 1ja1 h THR 372 N 0.00 1.17 0.00 0.22 2.02 -0.61 -3.41 112.91 112.30 1ja1 h THR 372 Ca -0.00 -2.43 -0.07 0.00 0.77 0.00 0.00 66.41 64.67 1ja1 h THR 372 Cb 0.79 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 70.03 1ja1 h THR 372 CO 0.04 0.69 -1.46 -1.22 0.37 0.00 0.00 175.52 173.94 1ja1 n TYR 373 N -4.01 0.00 0.22 3.16 4.01 0.40 -0.49 117.16 120.46 1ja1 n TYR 373 Ca -0.22 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.59 1ja1 n TYR 373 Cb 0.87 -0.29 -0.09 0.00 -0.31 0.00 0.00 39.34 39.51 1ja1 n TYR 373 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ja1 n TYR 374 N -2.04 0.00 -4.45 -0.72 4.01 -0.24 -4.72 117.16 109.00 1ja1 n TYR 374 Ca -0.07 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.37 1ja1 n TYR 374 Cb 0.49 -0.19 -0.12 0.00 -0.31 0.00 0.00 39.34 39.20 1ja1 n TYR 374 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1ja1 s LEU 375 N -3.43 2.60 -0.46 7.72 1.43 -0.15 -0.71 118.68 125.66 1ja1 s LEU 375 Ca -0.01 -0.55 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 1ja1 s LEU 375 Cb 0.09 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.86 1ja1 s LEU 375 CO 0.55 0.21 0.88 -0.62 0.23 0.00 0.00 176.35 177.59 1ja1 s ASP 376 N -1.87 6.46 0.00 2.29 -1.08 0.28 -4.38 116.67 118.37 1ja1 s ASP 376 Ca 0.16 0.01 0.05 0.00 -0.52 0.00 0.00 52.55 52.25 1ja1 s ASP 376 Cb -0.10 -2.43 0.15 0.00 -1.46 0.00 0.00 42.92 39.07 1ja1 s ASP 376 CO 0.08 -1.01 1.11 2.30 0.52 0.00 0.00 175.17 178.16 1ja1 n ILE 377 N 6.31 0.97 -0.03 4.11 -5.35 -1.26 -4.46 119.36 119.66 1ja1 n ILE 377 Ca 0.05 -0.98 -0.02 0.00 -0.27 0.00 0.00 62.75 61.52 1ja1 n ILE 377 Cb 0.48 0.52 -0.05 0.00 -1.74 0.00 0.00 39.64 38.85 1ja1 n ILE 377 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ja1 n THR 378 N 0.00 0.36 -2.85 7.28 -2.24 -1.26 -3.80 114.28 111.77 1ja1 n THR 378 Ca 0.06 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 1ja1 n THR 378 Cb 0.33 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.84 1ja1 n THR 378 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ja1 s ASN 379 N -3.60 6.99 0.16 3.42 0.01 -1.26 -4.39 114.94 116.27 1ja1 s ASN 379 Ca -0.03 1.67 -0.34 0.00 -0.71 0.00 0.00 52.86 53.45 1ja1 s ASN 379 Cb 0.02 -2.53 -0.14 0.00 0.41 0.00 0.00 41.25 39.01 1ja1 s ASN 379 CO 0.26 -0.29 1.50 -2.65 -1.51 0.00 0.00 177.10 174.40 1ja1 n PRO 380 N -0.39 1.93 -1.72 -0.60 -0.02 -1.26 -4.59 135.00 128.35 1ja1 n PRO 380 Ca 0.06 0.69 -0.38 0.00 -2.02 0.00 0.00 63.50 61.85 1ja1 n PRO 380 Cb 0.53 -2.41 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1ja1 n PRO 380 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ja1 n PRO 381 N 2.98 1.39 -1.78 0.52 -0.02 -1.26 -4.99 135.00 131.84 1ja1 n PRO 381 Ca 0.16 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 1ja1 n PRO 381 Cb 0.27 -2.50 0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1ja1 n PRO 381 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ja1 s ARG 382 N -3.01 3.17 0.28 -0.52 1.81 -1.26 -4.91 118.95 114.52 1ja1 s ARG 382 Ca 0.76 1.00 0.01 0.00 -1.72 0.00 0.00 55.73 55.77 1ja1 s ARG 382 Cb -0.41 -2.02 0.53 0.00 -0.45 0.00 0.00 34.95 32.60 1ja1 s ARG 382 CO 0.46 -0.91 1.84 1.79 -0.68 0.00 0.00 175.30 177.80 1ja1 h THR 383 N -0.27 0.93 -0.28 0.02 1.35 -1.94 -1.55 112.91 111.18 1ja1 h THR 383 Ca -0.45 -0.34 -0.05 0.00 -0.55 0.00 0.00 66.41 65.02 1ja1 h THR 383 Cb 1.21 -0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 1ja1 h THR 383 CO 0.58 0.18 -0.03 -0.55 -0.25 0.00 0.00 175.52 175.45 1ja1 h ASN 384 N 1.00 0.40 -0.25 5.36 7.08 -1.94 -1.33 115.58 125.90 1ja1 h ASN 384 Ca 0.49 -0.07 -0.02 0.00 -3.08 0.00 0.00 56.30 53.61 1ja1 h ASN 384 Cb 0.46 -0.10 -0.01 0.00 -2.08 0.00 0.00 38.32 36.58 1ja1 h ASN 384 CO -0.26 0.49 0.07 0.58 -2.08 0.00 0.00 177.43 176.23 1ja1 h VAL 385 N 0.41 1.20 -0.55 6.14 2.07 -1.64 -1.12 116.25 122.76 1ja1 h VAL 385 Ca 0.09 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 1ja1 h VAL 385 Cb 0.32 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1ja1 h VAL 385 CO 0.01 0.21 -0.03 -0.07 0.02 0.00 0.00 177.57 177.72 1ja1 h LEU 386 N 0.23 0.95 0.04 2.57 3.38 -1.33 -1.91 115.31 119.25 1ja1 h LEU 386 Ca 0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1ja1 h LEU 386 Cb 0.26 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ja1 h LEU 386 CO -0.00 1.02 -0.02 0.22 0.09 0.00 0.00 178.44 179.75 1ja1 h TYR 387 N 0.88 -0.05 0.00 1.13 5.03 -1.08 -0.51 116.97 122.37 1ja1 h TYR 387 Ca 0.16 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1ja1 h TYR 387 Cb 0.56 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.86 1ja1 h TYR 387 CO 0.04 0.02 0.00 0.93 -1.32 0.00 0.00 178.16 177.83 1ja1 h GLU 388 N -0.11 0.00 0.00 1.82 5.08 -1.13 -2.89 114.58 117.34 1ja1 h GLU 388 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1ja1 h GLU 388 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1ja1 h GLU 388 CO 0.01 0.00 -1.21 -0.07 -1.00 0.00 0.00 179.01 176.74 1ja1 h LEU 389 N 0.00 0.00 -1.28 1.33 3.38 -0.87 -3.37 115.31 114.50 1ja1 h LEU 389 Ca 0.00 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.28 1ja1 h LEU 389 Cb 0.48 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 1ja1 h LEU 389 CO 0.00 0.54 0.69 0.00 0.09 0.00 0.00 178.44 179.75 1ja1 h ALA 390 N 1.46 2.26 0.00 1.53 0.00 -0.88 0.20 119.26 123.83 1ja1 h ALA 390 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ja1 h ALA 390 Cb 1.52 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1ja1 h ALA 390 CO 0.05 -0.75 0.02 -0.56 0.00 0.00 0.00 179.25 178.01 1ja1 h GLN 391 N 0.33 0.00 -0.47 0.00 3.07 -1.75 -0.86 115.11 115.43 1ja1 h GLN 391 Ca 0.67 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.41 1ja1 h GLN 391 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.30 1ja1 h GLN 391 CO -0.39 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.19 1ja1 n TYR 392 N -2.59 0.61 -3.17 0.06 4.01 0.70 -4.85 117.16 111.94 1ja1 n TYR 392 Ca -0.02 -0.31 -0.43 0.00 -0.16 0.00 0.00 57.90 56.98 1ja1 n TYR 392 Cb 0.07 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 1ja1 n TYR 392 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ja1 s ALA 393 N -1.39 3.37 -0.39 -0.72 0.00 -0.33 -2.08 121.76 120.22 1ja1 s ALA 393 Ca 0.40 -1.30 0.23 0.00 0.00 0.00 0.00 51.96 51.30 1ja1 s ALA 393 Cb 0.23 -3.23 1.05 0.00 0.00 0.00 0.00 23.12 21.16 1ja1 s ALA 393 CO 0.31 -1.74 1.70 -1.13 0.00 0.00 0.00 175.76 174.90 1ja1 n SER 394 N 6.08 0.65 -4.64 0.00 3.41 -0.82 -4.54 113.62 113.76 1ja1 n SER 394 Ca -0.03 0.70 -0.37 0.00 -0.26 0.00 0.00 58.87 58.90 1ja1 n SER 394 Cb 0.48 -0.82 -0.10 0.00 -0.26 0.00 0.00 64.21 63.51 1ja1 n SER 394 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ja1 s GLU 395 N -3.39 4.05 0.21 4.33 2.56 -1.26 -5.01 118.70 120.18 1ja1 s GLU 395 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 54.97 54.67 1ja1 s GLU 395 Cb 0.08 -3.58 0.27 0.00 2.00 0.00 0.00 34.13 32.91 1ja1 s GLU 395 CO 0.34 -0.04 1.70 -1.00 -0.56 0.00 0.00 175.26 175.70 1ja1 h PRO 396 N 7.77 0.23 -0.82 4.30 0.13 -1.99 -0.54 132.00 141.07 1ja1 h PRO 396 Ca -0.37 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1ja1 h PRO 396 Cb 1.17 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1ja1 h PRO 396 CO 0.63 0.15 0.41 0.66 -0.23 0.00 0.00 178.00 179.62 1ja1 h SER 397 N 0.24 1.06 -0.34 1.44 4.64 -1.95 -0.26 113.55 118.38 1ja1 h SER 397 Ca 0.30 -0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.37 1ja1 h SER 397 Cb 0.45 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1ja1 h SER 397 CO -0.40 0.89 -0.29 -0.33 -0.87 0.00 0.00 176.83 175.82 1ja1 h GLU 398 N 1.17 0.86 -0.18 4.77 5.08 -1.76 -1.49 114.58 123.02 1ja1 h GLU 398 Ca 0.28 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1ja1 h GLU 398 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ja1 h GLU 398 CO -0.04 1.04 -0.29 0.37 -1.00 0.00 0.00 179.01 179.09 1ja1 h GLN 399 N 0.73 0.35 -0.04 2.33 4.15 -0.71 -2.40 115.11 119.52 1ja1 h GLN 399 Ca 0.08 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1ja1 h GLN 399 Cb 0.85 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.52 1ja1 h GLN 399 CO 0.07 0.61 -0.00 1.49 -1.93 0.00 0.00 178.83 179.07 1ja1 h GLU 400 N 0.31 0.07 -0.38 1.69 4.57 -0.77 -1.81 114.58 118.25 1ja1 h GLU 400 Ca 0.04 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1ja1 h GLU 400 Cb 0.68 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.20 1ja1 h GLU 400 CO 0.05 0.39 -0.02 0.45 -1.18 0.00 0.00 179.01 178.70 1ja1 h HIS 401 N -0.26 -0.06 0.02 0.92 3.86 -1.15 -0.79 115.15 117.68 1ja1 h HIS 401 Ca 0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1ja1 h HIS 401 Cb 0.36 0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 1ja1 h HIS 401 CO 0.04 -0.09 -0.15 -0.07 0.86 0.00 0.00 177.93 178.52 1ja1 h LEU 402 N 0.08 -0.43 -0.38 2.43 3.38 -1.38 -2.49 115.31 116.52 1ja1 h LEU 402 Ca 0.18 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1ja1 h LEU 402 Cb 0.27 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1ja1 h LEU 402 CO -0.33 -0.21 0.11 0.45 0.09 0.00 0.00 178.44 178.56 1ja1 h HIS 403 N -0.26 0.20 0.00 1.13 3.86 -0.87 -1.57 115.15 117.64 1ja1 h HIS 403 Ca 0.04 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1ja1 h HIS 403 Cb 0.31 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1ja1 h HIS 403 CO -0.19 0.06 0.00 1.63 0.86 0.00 0.00 177.93 180.29 1ja1 n LYS 404 N -5.04 0.26 0.22 2.45 5.02 -0.34 -2.52 118.16 118.21 1ja1 n LYS 404 Ca 0.02 0.11 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1ja1 n LYS 404 Cb 0.15 -1.50 0.53 0.00 -0.02 0.00 0.00 35.03 34.19 1ja1 n LYS 404 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1ja1 h MET 405 N 0.00 0.00 -0.20 1.97 2.86 -0.83 -2.16 114.93 116.57 1ja1 h MET 405 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ja1 h MET 405 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1ja1 h MET 405 CO 0.00 0.23 0.00 0.00 1.06 0.00 0.00 176.91 178.20 1ja1 n ALA 406 N -2.39 2.50 -1.77 6.32 0.00 -1.05 -4.66 120.51 119.46 1ja1 n ALA 406 Ca -0.02 -0.45 -0.40 0.00 0.00 0.00 0.00 53.44 52.57 1ja1 n ALA 406 Cb 0.31 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 1ja1 n ALA 406 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ja1 s SER 407 N -1.26 6.48 0.00 0.00 0.01 -0.81 -4.90 113.70 113.22 1ja1 s SER 407 Ca 0.24 2.77 0.30 0.00 1.31 0.00 0.00 55.95 60.58 1ja1 s SER 407 Cb 0.12 -2.65 1.57 0.00 0.21 0.00 0.00 66.02 65.27 1ja1 s SER 407 CO 0.18 -0.75 2.05 -1.54 0.41 0.00 0.00 173.24 173.59 1ja1 n SER 408 N 0.45 0.27 -3.66 2.44 3.41 -1.26 -4.37 113.62 110.90 1ja1 n SER 408 Ca 0.02 -0.75 0.02 0.00 -0.26 0.00 0.00 58.87 57.89 1ja1 n SER 408 Cb 0.42 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1ja1 n SER 408 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ja1 s SER 409 N -2.25 -0.04 0.00 4.04 1.04 -1.26 -4.91 113.70 110.32 1ja1 s SER 409 Ca 0.38 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1ja1 s SER 409 Cb 0.21 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1ja1 s SER 409 CO 0.41 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1ja1 n GLY 410 N -0.60 -2.01 0.25 7.32 0.00 -1.26 -4.17 105.19 104.71 1ja1 n GLY 410 Ca -0.05 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 1ja1 n GLY 410 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ja1 h GLU 411 N 0.00 -0.18 -0.88 1.61 4.81 -1.99 -2.32 114.58 115.63 1ja1 h GLU 411 Ca 0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1ja1 h GLU 411 Cb 0.00 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 1ja1 h GLU 411 CO 0.00 -0.12 0.44 0.78 -0.73 0.00 0.00 179.01 179.38 1ja1 h GLY 412 N -0.19 1.46 0.97 1.92 0.00 -1.79 0.39 103.07 105.83 1ja1 h GLY 412 Ca 0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1ja1 h GLY 412 CO -0.40 -0.10 0.01 1.70 0.00 0.00 0.00 176.54 177.75 1ja1 h LYS 413 N 0.57 0.77 -0.64 4.80 3.64 -1.52 -2.21 116.57 121.98 1ja1 h LYS 413 Ca 0.50 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1ja1 h LYS 413 Cb 0.79 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 1ja1 h LYS 413 CO -0.41 0.83 0.18 0.93 -2.27 0.00 0.00 179.45 178.71 1ja1 h GLU 414 N 0.61 0.98 -0.65 1.90 5.08 -0.69 -1.79 114.58 120.02 1ja1 h GLU 414 Ca 0.13 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1ja1 h GLU 414 Cb 0.47 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1ja1 h GLU 414 CO 0.02 0.85 0.20 1.25 -1.00 0.00 0.00 179.01 180.33 1ja1 h LEU 415 N 0.94 0.95 0.46 1.33 5.85 -0.80 -1.94 115.31 122.09 1ja1 h LEU 415 Ca 0.21 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1ja1 h LEU 415 Cb 0.30 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1ja1 h LEU 415 CO -0.00 0.91 -0.22 0.22 -0.34 0.00 0.00 178.44 179.00 1ja1 h TYR 416 N 0.94 -0.57 -0.90 1.25 3.20 -1.01 0.20 116.97 120.09 1ja1 h TYR 416 Ca 0.21 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.17 1ja1 h TYR 416 Cb 0.30 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.69 1ja1 h TYR 416 CO 0.02 -0.33 0.58 -0.07 -1.64 0.00 0.00 178.16 176.72 1ja1 h LEU 417 N -0.66 0.78 0.02 2.82 3.38 -1.24 -0.36 115.31 120.05 1ja1 h LEU 417 Ca -0.06 0.03 -0.38 0.00 0.09 0.00 0.00 57.88 57.56 1ja1 h LEU 417 Cb 0.50 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1ja1 h LEU 417 CO 0.10 0.45 -2.15 -1.54 0.09 0.00 0.00 178.44 175.39 1ja1 n SER 418 N -4.54 1.97 0.09 -0.43 3.41 -0.74 -0.21 113.62 113.17 1ja1 n SER 418 Ca 0.16 0.21 -0.06 0.00 -0.26 0.00 0.00 58.87 58.92 1ja1 n SER 418 Cb 0.34 -0.76 -0.01 0.00 -0.26 0.00 0.00 64.21 63.52 1ja1 n SER 418 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1ja1 h TRP 419 N -0.55 0.06 0.00 7.33 7.01 -0.67 -0.94 115.95 128.19 1ja1 h TRP 419 Ca -0.55 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.42 1ja1 h TRP 419 Cb 1.69 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.75 1ja1 h TRP 419 CO 0.01 0.89 -0.55 0.28 -2.79 0.00 0.00 178.44 176.27 1ja1 n VAL 420 N -3.54 0.89 0.26 2.65 0.31 -0.37 -4.41 118.33 114.12 1ja1 n VAL 420 Ca -0.01 0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 64.47 1ja1 n VAL 420 Cb 0.82 -1.96 -0.07 0.00 -0.91 0.00 0.00 33.84 31.72 1ja1 n VAL 420 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ja1 h VAL 421 N -0.55 0.29 -0.62 2.52 2.07 -1.21 -1.36 116.25 117.39 1ja1 h VAL 421 Ca 0.00 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.00 1ja1 h VAL 421 Cb 0.55 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1ja1 h VAL 421 CO 0.00 0.05 0.13 -0.08 0.02 0.00 0.00 177.57 177.68 1ja1 h GLU 422 N -1.04 1.01 0.00 1.57 4.57 -0.65 -2.14 114.58 117.90 1ja1 h GLU 422 Ca -0.07 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1ja1 h GLU 422 Cb 0.61 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1ja1 h GLU 422 CO 0.12 0.93 0.00 0.00 -1.18 0.00 0.00 179.01 178.88 1ja1 n ALA 423 N -2.44 1.74 -3.56 2.92 0.00 -0.36 -4.63 120.51 114.19 1ja1 n ALA 423 Ca 0.03 0.06 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 1ja1 n ALA 423 Cb 0.26 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.40 1ja1 n ALA 423 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ja1 n ARG 424 N -2.20 -7.48 -2.47 0.00 5.12 -0.67 -2.50 116.66 106.46 1ja1 n ARG 424 Ca 0.03 0.83 -0.43 0.00 -1.93 0.00 0.00 57.85 56.35 1ja1 n ARG 424 Cb 0.25 -5.86 -0.02 0.00 -1.16 0.00 0.00 32.46 25.67 1ja1 n ARG 424 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1ja1 s ARG 425 N -6.04 4.30 0.76 5.56 0.52 -0.60 -4.82 118.95 118.63 1ja1 s ARG 425 Ca 0.41 1.64 -0.04 0.00 -0.52 0.00 0.00 55.73 57.22 1ja1 s ARG 425 Cb -0.18 -3.64 0.13 0.00 0.52 0.00 0.00 34.95 31.78 1ja1 s ARG 425 CO 0.73 -0.55 1.05 -3.38 0.02 0.00 0.00 175.30 173.17 1ja1 s HIS 426 N 2.77 1.69 0.25 -0.53 -3.43 -1.26 -4.00 115.29 110.77 1ja1 s HIS 426 Ca 0.54 -0.12 -0.04 0.00 -0.80 0.00 0.00 55.06 54.64 1ja1 s HIS 426 Cb -0.23 -3.20 0.38 0.00 -1.43 0.00 0.00 32.58 28.10 1ja1 s HIS 426 CO 0.18 -1.84 1.83 0.97 -2.00 0.00 0.00 174.74 173.87 1ja1 h ILE 427 N -0.72 0.95 -0.57 -5.38 6.09 -1.81 -1.84 117.51 114.24 1ja1 h ILE 427 Ca -0.38 -0.30 -0.04 0.00 -1.37 0.00 0.00 64.86 62.77 1ja1 h ILE 427 Cb 1.26 0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.55 1ja1 h ILE 427 CO 0.41 0.16 0.20 0.25 -3.07 0.00 0.00 178.15 176.10 1ja1 h LEU 428 N 0.86 0.81 -0.97 2.19 5.85 -1.94 -1.19 115.31 120.92 1ja1 h LEU 428 Ca 0.39 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1ja1 h LEU 428 Cb 0.30 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1ja1 h LEU 428 CO -0.22 0.79 0.64 0.00 -0.34 0.00 0.00 178.44 179.30 1ja1 h ALA 429 N 1.06 1.26 -0.38 1.25 0.00 -1.75 0.50 119.26 121.20 1ja1 h ALA 429 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ja1 h ALA 429 Cb 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ja1 h ALA 429 CO -0.01 0.57 0.07 0.82 0.00 0.00 0.00 179.25 180.70 1ja1 h ILE 430 N 1.27 1.24 -0.61 0.00 2.04 -0.92 0.42 117.51 120.95 1ja1 h ILE 430 Ca 0.37 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1ja1 h ILE 430 Cb -0.07 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1ja1 h ILE 430 CO -0.10 0.28 0.38 -0.07 0.00 0.00 0.00 178.15 178.64 1ja1 h LEU 431 N 0.47 0.71 -0.28 1.44 3.38 -0.55 -0.16 115.31 120.32 1ja1 h LEU 431 Ca 0.12 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1ja1 h LEU 431 Cb 0.35 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ja1 h LEU 431 CO 0.01 0.54 -0.85 1.56 0.09 0.00 0.00 178.44 179.78 1ja1 h GLN 432 N 0.83 0.35 0.00 1.13 4.20 -0.55 -3.27 115.11 117.79 1ja1 h GLN 432 Ca 0.22 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1ja1 h GLN 432 Cb -0.05 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1ja1 h GLN 432 CO -0.04 1.02 -0.38 -0.44 -0.67 0.00 0.00 178.83 178.32 1ja1 h ASP 433 N 0.21 0.00 -2.48 1.46 3.45 -0.39 -3.35 116.42 115.32 1ja1 h ASP 433 Ca -0.05 -0.08 -0.60 0.00 0.43 0.00 0.00 57.03 56.72 1ja1 h ASP 433 Cb 1.47 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 39.83 1ja1 h ASP 433 CO 0.14 0.04 -0.73 -1.22 -1.57 0.00 0.00 179.24 175.91 1ja1 n TYR 434 N -2.39 2.19 -0.13 4.55 4.01 -0.12 -4.98 117.16 120.28 1ja1 n TYR 434 Ca 0.04 -3.99 0.28 0.00 -0.16 0.00 0.00 57.90 54.07 1ja1 n TYR 434 Cb 0.47 -0.42 0.68 0.00 -0.31 0.00 0.00 39.34 39.75 1ja1 n TYR 434 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1ja1 h PRO 435 N 4.76 0.00 0.00 -0.72 0.11 -1.71 0.12 132.00 134.57 1ja1 h PRO 435 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1ja1 h PRO 435 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1ja1 h PRO 435 CO 0.67 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 1ja1 n SER 436 N -3.76 0.54 -4.59 -2.05 3.41 -1.26 -4.70 113.62 101.21 1ja1 n SER 436 Ca 0.18 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.92 1ja1 n SER 436 Cb 1.06 -0.70 -0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1ja1 n SER 436 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ja1 s LEU 437 N -4.05 3.55 -0.45 1.04 2.96 0.03 -1.95 118.68 119.81 1ja1 s LEU 437 Ca 0.11 0.71 0.06 0.00 -0.22 0.00 0.00 54.13 54.79 1ja1 s LEU 437 Cb 0.14 -3.44 0.22 0.00 0.50 0.00 0.00 46.19 43.61 1ja1 s LEU 437 CO 0.54 -1.50 0.50 0.54 -1.32 0.00 0.00 176.35 175.11 1ja1 n ARG 438 N 8.20 0.86 -1.85 1.98 5.12 -0.88 -4.92 116.66 125.16 1ja1 n ARG 438 Ca 0.16 -3.46 -0.31 0.00 -1.93 0.00 0.00 57.85 52.31 1ja1 n ARG 438 Cb 0.48 -1.53 0.02 0.00 -1.16 0.00 0.00 32.46 30.27 1ja1 n ARG 438 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1ja1 s PRO 439 N -1.02 3.40 0.36 5.56 0.04 -1.26 -4.94 135.00 137.13 1ja1 s PRO 439 Ca 0.34 0.70 -0.28 0.00 0.04 0.00 0.00 61.00 61.81 1ja1 s PRO 439 Cb 0.12 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1ja1 s PRO 439 CO -0.13 -0.71 1.27 -2.14 0.04 0.00 0.00 177.00 175.34 1ja1 s PRO 440 N -5.21 4.23 0.23 0.56 0.02 -1.26 -4.92 135.00 128.65 1ja1 s PRO 440 Ca 0.56 2.12 -0.07 0.00 0.02 0.00 0.00 61.00 63.63 1ja1 s PRO 440 Cb -0.11 -2.94 0.21 0.00 0.02 0.00 0.00 34.50 31.68 1ja1 s PRO 440 CO 0.54 -0.26 1.88 0.97 -0.33 0.00 0.00 177.00 179.79 1ja1 h ILE 441 N 2.78 1.25 -0.65 2.83 6.09 -1.95 -2.24 117.51 125.62 1ja1 h ILE 441 Ca -0.49 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.47 1ja1 h ILE 441 Cb 1.23 -0.03 -0.03 0.00 0.47 0.00 0.00 36.82 38.46 1ja1 h ILE 441 CO 0.64 0.26 0.42 -2.24 -3.07 0.00 0.00 178.15 174.15 1ja1 h ASP 442 N 1.24 0.76 -0.57 2.19 2.03 -2.00 -1.37 116.42 118.71 1ja1 h ASP 442 Ca 0.32 -0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 56.53 1ja1 h ASP 442 Cb -0.06 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 38.22 1ja1 h ASP 442 CO -0.06 0.57 0.13 -0.74 -1.03 0.00 0.00 179.24 178.11 1ja1 h HIS 443 N 0.88 0.97 -0.67 4.15 2.76 -1.88 -2.38 115.15 118.99 1ja1 h HIS 443 Ca 0.24 -0.12 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1ja1 h HIS 443 Cb -0.07 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.58 1ja1 h HIS 443 CO -0.02 0.84 0.42 1.25 -1.30 0.00 0.00 177.93 179.12 1ja1 h LEU 444 N 0.82 0.70 -1.54 0.26 5.85 -0.97 -1.86 115.31 118.57 1ja1 h LEU 444 Ca 0.18 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ja1 h LEU 444 Cb 0.36 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1ja1 h LEU 444 CO 0.00 0.49 -0.16 0.00 -0.34 0.00 0.00 178.44 178.43 1ja1 h GLU 446 N 0.09 0.13 0.03 0.00 4.81 -0.84 -3.27 114.58 115.54 1ja1 h GLU 446 Ca 0.02 -0.10 -0.22 0.00 -0.13 0.00 0.00 59.36 58.93 1ja1 h GLU 446 Cb 0.34 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1ja1 h GLU 446 CO 0.02 0.72 -1.00 -0.07 -0.73 0.00 0.00 179.01 177.96 1ja1 h LEU 447 N 0.10 0.15 -9.97 1.64 3.38 -0.70 -3.46 115.31 106.44 1ja1 h LEU 447 Ca -0.01 -0.14 -0.51 0.00 0.09 0.00 0.00 57.88 57.31 1ja1 h LEU 447 Cb 1.14 -0.05 0.07 0.00 0.09 0.00 0.00 40.66 41.91 1ja1 h LEU 447 CO 0.09 1.05 0.52 -0.76 0.09 0.00 0.00 178.44 179.44 1ja1 s LEU 448 N -7.02 4.12 0.80 1.67 1.43 -0.73 -4.93 118.68 114.02 1ja1 s LEU 448 Ca -0.01 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.39 1ja1 s LEU 448 Cb 0.10 -4.08 0.07 0.00 0.03 0.00 0.00 46.19 42.30 1ja1 s LEU 448 CO 0.83 -0.84 1.12 -2.16 0.23 0.00 0.00 176.35 175.53 1ja1 s PRO 449 N -2.45 2.08 0.43 1.29 0.04 -1.26 -4.84 135.00 130.30 1ja1 s PRO 449 Ca 0.60 0.46 -0.23 0.00 0.04 0.00 0.00 61.00 61.86 1ja1 s PRO 449 Cb -0.32 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1ja1 s PRO 449 CO 0.40 -1.58 1.11 1.03 0.04 0.00 0.00 177.00 178.00 1ja1 s ARG 450 N -5.29 3.95 -0.15 4.56 1.81 -1.26 -0.56 118.95 122.02 1ja1 s ARG 450 Ca 0.61 1.64 -0.29 0.00 -1.72 0.00 0.00 55.73 55.97 1ja1 s ARG 450 Cb -0.13 -2.46 -0.01 0.00 -0.45 0.00 0.00 34.95 31.89 1ja1 s ARG 450 CO 0.53 -0.36 1.18 -1.17 -0.68 0.00 0.00 175.30 174.80 1ja1 s LEU 451 N -2.85 4.19 0.39 2.53 2.96 0.11 -4.25 118.68 121.75 1ja1 s LEU 451 Ca 0.61 1.64 -0.07 0.00 -0.22 0.00 0.00 54.13 56.09 1ja1 s LEU 451 Cb -0.25 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.84 1ja1 s LEU 451 CO 0.31 -0.68 0.70 -1.10 -1.32 0.00 0.00 176.35 174.26 1ja1 s GLN 452 N 3.02 3.66 0.61 1.98 -1.52 -1.26 -4.88 119.66 121.27 1ja1 s GLN 452 Ca 0.52 0.21 -0.15 0.00 -1.95 0.00 0.00 55.36 54.00 1ja1 s GLN 452 Cb -0.21 -2.48 -0.03 0.00 -0.22 0.00 0.00 33.01 30.08 1ja1 s GLN 452 CO 0.15 0.01 1.06 0.00 -0.25 0.00 0.00 175.29 176.26 1ja1 s ALA 453 N -2.37 2.70 -0.09 6.09 0.00 -1.26 -4.75 121.76 122.07 1ja1 s ALA 453 Ca 0.47 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1ja1 s ALA 453 Cb -0.10 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1ja1 s ALA 453 CO 0.34 -0.91 -0.08 1.03 0.00 0.00 0.00 175.76 176.14 1ja1 s ARG 454 N -4.19 3.00 0.02 0.00 3.00 -0.33 -4.88 118.95 115.58 1ja1 s ARG 454 Ca 0.63 -0.58 -0.05 0.00 0.00 0.00 0.00 55.73 55.74 1ja1 s ARG 454 Cb -0.16 -2.64 -0.05 0.00 0.00 0.00 0.00 34.95 32.10 1ja1 s ARG 454 CO 0.39 0.51 0.25 0.71 0.00 0.00 0.00 175.30 177.16 1ja1 s TYR 455 N -0.40 3.55 -0.00 -0.53 2.02 -1.26 -1.27 117.35 119.45 1ja1 s TYR 455 Ca 0.06 0.47 0.01 0.00 -0.37 0.00 0.00 57.07 57.24 1ja1 s TYR 455 Cb -0.12 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 1ja1 s TYR 455 CO 0.02 0.60 -0.02 0.71 -1.57 0.00 0.00 175.55 175.29 1ja1 s TYR 456 N -1.37 0.24 -0.29 2.71 2.02 0.02 -4.96 117.35 115.71 1ja1 s TYR 456 Ca 0.30 -0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.67 1ja1 s TYR 456 Cb -0.13 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.25 1ja1 s TYR 456 CO 0.19 -0.02 1.52 0.00 -1.57 0.00 0.00 175.55 175.67 1ja1 s ALA 457 N 0.05 3.19 0.13 3.71 0.00 -1.26 -0.47 121.76 127.11 1ja1 s ALA 457 Ca -0.00 0.22 -0.35 0.00 0.00 0.00 0.00 51.96 51.83 1ja1 s ALA 457 Cb -0.02 -3.87 -0.15 0.00 0.00 0.00 0.00 23.12 19.08 1ja1 s ALA 457 CO -0.00 -2.09 1.49 -0.89 0.00 0.00 0.00 175.76 174.27 1ja1 n ILE 458 N 6.64 0.01 -0.94 0.00 5.41 -0.23 -4.35 119.36 125.89 1ja1 n ILE 458 Ca 0.18 -0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.98 1ja1 n ILE 458 Cb 0.46 -1.27 0.38 0.00 -0.71 0.00 0.00 39.64 38.51 1ja1 n ILE 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ja1 n ALA 459 N 3.12 3.90 -2.33 -1.39 0.00 0.31 -4.12 120.51 119.99 1ja1 n ALA 459 Ca 0.18 -2.03 -0.10 0.00 0.00 0.00 0.00 53.44 51.49 1ja1 n ALA 459 Cb 0.25 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 1ja1 n ALA 459 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ja1 s SER 460 N -0.95 0.79 -0.12 0.00 1.04 -1.26 -3.24 113.70 109.96 1ja1 s SER 460 Ca 0.54 -0.89 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 1ja1 s SER 460 Cb 0.41 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1ja1 s SER 460 CO 0.15 -0.46 0.24 -0.55 0.98 0.00 0.00 173.24 173.60 1ja1 s SER 461 N -2.62 6.45 0.12 7.02 0.15 -1.26 -4.20 113.70 119.36 1ja1 s SER 461 Ca 0.04 0.54 0.22 0.00 0.70 0.00 0.00 55.95 57.44 1ja1 s SER 461 Cb 0.02 -2.14 0.87 0.00 -1.71 0.00 0.00 66.02 63.06 1ja1 s SER 461 CO -0.05 0.26 1.67 -1.54 1.20 0.00 0.00 173.24 174.78 1ja1 n SER 462 N 2.68 0.36 0.19 5.45 3.41 -1.26 -0.23 113.62 124.21 1ja1 n SER 462 Ca -0.16 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.08 1ja1 n SER 462 Cb 0.53 -0.66 0.32 0.00 -0.26 0.00 0.00 64.21 64.14 1ja1 n SER 462 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1ja1 h LYS 463 N 0.00 0.00 0.00 4.33 1.79 -1.93 -2.84 116.57 117.92 1ja1 h LYS 463 Ca 0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1ja1 h LYS 463 Cb 0.40 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1ja1 h LYS 463 CO 0.00 0.38 -1.83 0.28 -1.08 0.00 0.00 179.45 177.20 1ja1 n VAL 464 N -3.51 0.83 -3.15 0.50 0.31 -0.91 -4.78 118.33 107.62 1ja1 n VAL 464 Ca -0.00 -0.45 -0.25 0.00 -0.01 0.00 0.00 64.34 63.63 1ja1 n VAL 464 Cb 0.52 -0.80 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 1ja1 n VAL 464 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1ja1 n HIS 465 N -2.60 2.48 0.25 3.52 8.25 0.68 -4.93 115.22 122.87 1ja1 n HIS 465 Ca -0.22 -3.94 0.11 0.00 -0.26 0.00 0.00 57.72 53.42 1ja1 n HIS 465 Cb 0.85 -0.47 0.73 0.00 1.12 0.00 0.00 29.99 32.22 1ja1 n HIS 465 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ja1 h PRO 466 N 3.44 0.00 -0.51 -0.41 0.13 -1.71 -2.59 132.00 130.35 1ja1 h PRO 466 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ja1 h PRO 466 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1ja1 h PRO 466 CO 0.70 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 1ja1 n ASN 467 N -4.30 4.20 -3.80 1.44 5.03 -1.26 -4.93 115.26 111.63 1ja1 n ASN 467 Ca -0.02 -2.46 -0.13 0.00 0.87 0.00 0.00 54.58 52.84 1ja1 n ASN 467 Cb 0.13 -0.50 -0.12 0.00 -1.02 0.00 0.00 39.78 38.27 1ja1 n ASN 467 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1ja1 s SER 468 N -1.14 -0.20 -0.18 6.41 0.15 -0.98 -1.01 113.70 116.75 1ja1 s SER 468 Ca 0.43 0.38 -0.01 0.00 0.70 0.00 0.00 55.95 57.46 1ja1 s SER 468 Cb 0.29 0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 64.98 1ja1 s SER 468 CO 0.20 -0.07 -0.13 -0.69 1.20 0.00 0.00 173.24 173.75 1ja1 s VAL 469 N 0.17 2.79 0.07 4.45 1.01 -0.35 -4.80 120.40 123.74 1ja1 s VAL 469 Ca -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1ja1 s VAL 469 Cb -0.02 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1ja1 s VAL 469 CO -0.00 0.49 0.29 -1.00 0.00 0.00 0.00 175.10 174.88 1ja1 s HIS 470 N 1.08 3.52 -0.04 5.22 3.76 -1.26 -0.73 115.29 126.85 1ja1 s HIS 470 Ca -0.00 0.47 0.03 0.00 -0.15 0.00 0.00 55.06 55.41 1ja1 s HIS 470 Cb -0.14 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.62 1ja1 s HIS 470 CO -0.03 0.55 -0.13 0.42 -0.85 0.00 0.00 174.74 174.69 1ja1 s ILE 471 N -1.48 1.11 -0.24 0.60 1.01 0.74 -0.53 121.20 122.40 1ja1 s ILE 471 Ca 0.34 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1ja1 s ILE 471 Cb -0.13 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.43 1ja1 s ILE 471 CO 0.22 0.33 -0.12 0.00 0.00 0.00 0.00 174.94 175.37 1ja1 s ALA 473 N 1.15 0.42 -0.17 0.00 0.00 -0.59 -4.88 121.76 117.69 1ja1 s ALA 473 Ca -0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 1ja1 s ALA 473 Cb -0.19 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1ja1 s ALA 473 CO -0.07 -0.26 0.05 0.54 0.00 0.00 0.00 175.76 176.02 1ja1 s VAL 474 N -2.88 4.72 0.19 0.00 0.11 -1.26 -0.50 120.40 120.77 1ja1 s VAL 474 Ca -0.02 -0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 1ja1 s VAL 474 Cb 0.00 -3.11 -0.08 0.00 -1.53 0.00 0.00 36.38 31.66 1ja1 s VAL 474 CO -0.06 0.47 1.27 0.00 -3.33 0.00 0.00 175.10 173.45 1ja1 s ALA 475 N 0.27 3.49 -0.24 1.54 0.00 0.02 -4.93 121.76 121.90 1ja1 s ALA 475 Ca 0.03 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 1ja1 s ALA 475 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1ja1 s ALA 475 CO 0.00 -0.48 0.41 0.08 0.00 0.00 0.00 175.76 175.78 1ja1 s VAL 476 N 0.08 5.16 -0.30 0.00 1.01 -1.26 -4.72 120.40 120.38 1ja1 s VAL 476 Ca 0.55 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 63.12 1ja1 s VAL 476 Cb -0.35 -3.73 0.15 0.00 0.00 0.00 0.00 36.38 32.45 1ja1 s VAL 476 CO 0.37 0.18 0.69 -0.70 0.00 0.00 0.00 175.10 175.65 1ja1 s GLU 477 N 1.84 0.53 0.13 2.72 2.12 -1.26 -0.03 118.70 124.76 1ja1 s GLU 477 Ca 0.18 1.25 -0.08 0.00 0.36 0.00 0.00 54.97 56.68 1ja1 s GLU 477 Cb -0.15 0.74 -0.01 0.00 0.26 0.00 0.00 34.13 34.97 1ja1 s GLU 477 CO 0.09 -0.27 0.21 1.52 -0.54 0.00 0.00 175.26 176.27 1ja1 s TYR 478 N 2.84 0.38 -0.13 5.30 1.13 -0.75 -5.00 117.35 121.12 1ja1 s TYR 478 Ca 0.00 -0.78 -0.22 0.00 -1.41 0.00 0.00 57.07 54.66 1ja1 s TYR 478 Cb -0.12 -0.12 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 1ja1 s TYR 478 CO -0.19 -0.62 0.68 -1.21 -2.51 0.00 0.00 175.55 171.69 1ja1 s GLU 479 N -3.94 4.33 0.09 -3.49 2.02 -1.26 -0.96 118.70 115.49 1ja1 s GLU 479 Ca 0.14 0.78 0.02 0.00 0.02 0.00 0.00 54.97 55.92 1ja1 s GLU 479 Cb 0.05 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 1ja1 s GLU 479 CO -0.04 -0.09 0.19 0.00 0.02 0.00 0.00 175.26 175.34 1ja1 s ALA 480 N 1.37 3.87 -1.36 5.21 0.00 0.43 -4.94 121.76 126.34 1ja1 s ALA 480 Ca 0.34 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1ja1 s ALA 480 Cb -0.17 -1.70 0.35 0.00 0.00 0.00 0.00 23.12 21.61 1ja1 s ALA 480 CO 0.14 0.73 1.11 1.63 0.00 0.00 0.00 175.76 179.37 1ja1 n LYS 481 N 0.12 0.08 0.15 0.00 5.02 -1.24 -0.45 118.16 121.85 1ja1 n LYS 481 Ca -0.06 0.25 0.13 0.00 -2.02 0.00 0.00 58.31 56.60 1ja1 n LYS 481 Cb 0.52 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.52 1ja1 n LYS 481 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ja1 h SER 482 N 0.00 0.00 0.00 4.39 4.64 -1.83 -3.46 113.55 117.29 1ja1 h SER 482 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ja1 h SER 482 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1ja1 h SER 482 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ja1 n GLY 483 N 0.30 0.55 3.74 -0.77 0.00 0.41 -5.07 105.19 104.35 1ja1 n GLY 483 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1ja1 n GLY 483 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ja1 s ARG 484 N -0.88 2.60 -0.39 1.61 3.00 -1.24 -4.92 118.95 118.74 1ja1 s ARG 484 Ca 0.00 -1.26 -0.17 0.00 0.00 0.00 0.00 55.73 54.31 1ja1 s ARG 484 Cb 0.00 -2.35 0.01 0.00 0.00 0.00 0.00 34.95 32.60 1ja1 s ARG 484 CO 0.00 0.36 0.42 0.08 0.00 0.00 0.00 175.30 176.16 1ja1 s VAL 485 N -2.24 5.10 0.14 3.52 1.01 -1.26 -0.43 120.40 126.23 1ja1 s VAL 485 Ca 0.33 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1ja1 s VAL 485 Cb -0.07 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1ja1 s VAL 485 CO 0.23 -0.29 0.56 0.20 0.00 0.00 0.00 175.10 175.80 1ja1 s ASN 486 N 1.78 6.88 -0.03 3.32 0.02 -0.13 -4.93 114.94 121.85 1ja1 s ASN 486 Ca 0.13 1.13 0.06 0.00 -1.02 0.00 0.00 52.86 53.17 1ja1 s ASN 486 Cb -0.17 -2.31 -0.01 0.00 0.02 0.00 0.00 41.25 38.78 1ja1 s ASN 486 CO 0.13 0.13 -0.22 -0.54 0.02 0.00 0.00 177.10 176.62 1ja1 s LYS 487 N -1.80 2.00 0.23 -0.60 1.02 -1.26 -1.81 119.74 117.51 1ja1 s LYS 487 Ca 0.36 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 1ja1 s LYS 487 Cb -0.16 -1.83 -0.10 0.00 -0.52 0.00 0.00 37.83 35.22 1ja1 s LYS 487 CO 0.19 0.42 1.51 0.20 -0.92 0.00 0.00 175.35 176.75 1ja1 s GLY 488 N -0.34 2.04 0.04 -3.33 0.00 0.96 -4.94 107.32 101.75 1ja1 s GLY 488 Ca 0.03 1.39 -0.29 0.00 0.00 0.00 0.00 44.72 45.86 1ja1 s GLY 488 CO 0.01 2.45 1.36 -2.08 0.00 0.00 0.00 173.10 174.84 1ja1 h VAL 489 N 3.65 0.00 -0.33 1.40 2.07 -1.94 -1.88 116.25 119.21 1ja1 h VAL 489 Ca -0.45 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1ja1 h VAL 489 Cb 1.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1ja1 h VAL 489 CO 0.82 0.00 0.14 0.00 0.02 0.00 0.00 177.57 178.55 1ja1 h ALA 490 N -1.47 0.43 -0.24 1.67 0.00 -1.92 -2.48 119.26 115.25 1ja1 h ALA 490 Ca -0.11 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1ja1 h ALA 490 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ja1 h ALA 490 CO 0.17 0.02 -0.35 1.79 0.00 0.00 0.00 179.25 180.88 1ja1 h THR 491 N 0.39 1.29 -0.45 0.00 1.35 -1.92 0.12 112.91 113.68 1ja1 h THR 491 Ca 0.11 -1.47 -0.12 0.00 -0.55 0.00 0.00 66.41 64.38 1ja1 h THR 491 Cb 0.17 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1ja1 h THR 491 CO -0.01 0.46 -0.21 0.28 -0.25 0.00 0.00 175.52 175.79 1ja1 h SER 492 N 0.44 0.93 -0.15 5.36 0.02 -1.34 0.22 113.55 119.04 1ja1 h SER 492 Ca 0.05 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1ja1 h SER 492 Cb 0.82 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1ja1 h SER 492 CO 0.07 1.11 0.00 -0.25 -1.14 0.00 0.00 176.83 176.62 1ja1 h TRP 493 N 0.79 0.28 -0.59 3.45 7.01 -1.18 -2.61 115.95 123.10 1ja1 h TRP 493 Ca 0.11 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 60.99 1ja1 h TRP 493 Cb 0.76 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1ja1 h TRP 493 CO 0.05 0.47 0.12 -0.07 -2.79 0.00 0.00 178.44 176.22 1ja1 h LEU 494 N 0.00 0.93 -1.30 0.65 3.38 -0.71 -2.76 115.31 115.50 1ja1 h LEU 494 Ca 0.04 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.85 1ja1 h LEU 494 Cb 0.36 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1ja1 h LEU 494 CO 0.01 0.94 0.53 -0.09 0.09 0.00 0.00 178.44 179.92 1ja1 h ARG 495 N 0.87 0.77 -0.00 1.13 2.43 -0.87 -1.38 114.38 117.33 1ja1 h ARG 495 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ja1 h ARG 495 Cb 0.39 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1ja1 h ARG 495 CO 0.01 0.51 -0.02 0.00 -1.51 0.00 0.00 179.97 178.96 1ja1 n ALA 496 N -2.43 2.56 -2.39 2.80 0.00 -0.99 -4.82 120.51 115.23 1ja1 n ALA 496 Ca 0.14 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1ja1 n ALA 496 Cb 0.31 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.26 1ja1 n ALA 496 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ja1 s LYS 497 N -2.47 4.25 -0.26 0.00 -0.14 -0.52 -5.00 119.74 115.59 1ja1 s LYS 497 Ca 0.31 1.71 -0.10 0.00 -1.36 0.00 0.00 55.97 56.54 1ja1 s LYS 497 Cb 0.20 -3.75 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 1ja1 s LYS 497 CO 0.45 -0.68 0.15 -1.21 -0.76 0.00 0.00 175.35 173.30 1ja1 s GLU 498 N 3.33 3.90 0.27 1.68 2.02 -1.26 -4.85 118.70 123.79 1ja1 s GLU 498 Ca 0.56 -0.35 -0.28 0.00 0.02 0.00 0.00 54.97 54.92 1ja1 s GLU 498 Cb -0.23 -3.52 -0.15 0.00 0.10 0.00 0.00 34.13 30.33 1ja1 s GLU 498 CO 0.17 -0.11 0.85 -2.30 0.02 0.00 0.00 175.26 173.89 1ja1 n PRO 499 N 4.79 0.93 0.00 0.39 -0.02 -1.26 -4.26 135.00 135.58 1ja1 n PRO 499 Ca -0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1ja1 n PRO 499 Cb 0.52 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 1ja1 n PRO 499 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ja1 n ALA 500 N 0.10 1.96 -2.00 3.55 0.00 -1.15 -4.96 120.51 118.02 1ja1 n ALA 500 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ja1 n ALA 500 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1ja1 n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ja1 n GLY 501 N 1.60 -1.08 3.93 0.00 0.00 -1.26 -5.03 105.19 103.34 1ja1 n GLY 501 Ca 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 46.02 46.44 1ja1 n GLY 501 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ja1 s GLU 502 N 1.27 2.48 0.28 1.61 8.01 -1.26 -4.76 118.70 126.33 1ja1 s GLU 502 Ca 0.00 -0.17 -0.29 0.00 0.01 0.00 0.00 54.97 54.52 1ja1 s GLU 502 Cb 0.00 -2.21 -0.10 0.00 -4.31 0.00 0.00 34.13 27.51 1ja1 s GLU 502 CO 0.00 -1.03 1.30 -0.80 0.01 0.00 0.00 175.26 174.74 1ja1 s ASN 503 N -4.44 6.85 0.00 -0.19 0.01 -1.26 -1.90 114.94 114.02 1ja1 s ASN 503 Ca 0.58 2.56 0.00 0.00 -0.71 0.00 0.00 52.86 55.29 1ja1 s ASN 503 Cb -0.11 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.92 1ja1 s ASN 503 CO 0.45 -0.51 0.00 0.61 -1.51 0.00 0.00 177.10 176.14 1ja1 n GLY 504 N 1.44 0.55 2.74 0.66 0.00 -1.26 -5.00 105.19 104.32 1ja1 n GLY 504 Ca 0.02 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1ja1 n GLY 504 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ja1 s GLY 505 N -2.27 1.84 0.00 -0.02 0.00 -0.80 -5.08 107.32 100.99 1ja1 s GLY 505 Ca 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 44.72 41.96 1ja1 s GLY 505 CO 0.00 1.47 0.00 0.54 0.00 0.00 0.00 173.10 175.11 1ja1 n ARG 506 N 3.36 0.00 -1.50 2.90 1.74 -1.26 -4.14 116.66 117.75 1ja1 n ARG 506 Ca 0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1ja1 n ARG 506 Cb 0.35 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.68 1ja1 n ARG 506 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ja1 n ALA 507 N 9.25 0.50 -2.43 7.54 0.00 -1.26 -4.94 120.51 129.17 1ja1 n ALA 507 Ca 0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1ja1 n ALA 507 Cb 0.00 -2.58 -0.13 0.00 0.00 0.00 0.00 19.45 16.73 1ja1 n ALA 507 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ja1 s LEU 508 N 9.81 2.50 -0.18 0.00 1.43 -1.26 -1.46 118.68 129.51 1ja1 s LEU 508 Ca 1.21 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1ja1 s LEU 508 Cb -0.90 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 43.89 1ja1 s LEU 508 CO 0.42 0.28 -0.11 -0.69 0.23 0.00 0.00 176.35 176.48 1ja1 s VAL 509 N -0.84 1.57 -0.05 -1.59 1.01 0.47 -4.91 120.40 116.07 1ja1 s VAL 509 Ca 0.13 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 1ja1 s VAL 509 Cb -0.10 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1ja1 s VAL 509 CO 0.03 0.23 1.40 -2.84 0.00 0.00 0.00 175.10 173.92 1ja1 s PRO 510 N 1.44 4.26 0.28 2.72 0.02 -1.26 -0.86 135.00 141.60 1ja1 s PRO 510 Ca 0.00 1.91 -0.04 0.00 0.02 0.00 0.00 61.00 62.90 1ja1 s PRO 510 Cb -0.15 -3.67 -0.01 0.00 0.02 0.00 0.00 34.50 30.68 1ja1 s PRO 510 CO -0.09 -0.63 0.36 0.00 -0.33 0.00 0.00 177.00 176.31 1ja1 s MET 511 N 2.86 1.61 0.18 5.54 0.23 0.50 -1.67 119.30 128.55 1ja1 s MET 511 Ca 0.63 -1.62 -0.23 0.00 -1.03 0.00 0.00 55.69 53.44 1ja1 s MET 511 Cb -0.29 0.39 0.06 0.00 -1.53 0.00 0.00 34.83 33.46 1ja1 s MET 511 CO 0.24 -0.63 0.66 -0.59 -2.03 0.00 0.00 175.02 172.67 1ja1 s PHE 512 N -3.64 -0.42 -0.12 3.16 -0.71 -0.86 0.31 117.98 115.69 1ja1 s PHE 512 Ca 0.32 0.15 -0.03 0.00 -1.04 0.00 0.00 56.93 56.33 1ja1 s PHE 512 Cb 0.02 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.40 1ja1 s PHE 512 CO 0.16 -0.93 -0.01 0.08 -1.34 0.00 0.00 175.22 173.18 1ja1 s VAL 513 N -3.73 4.21 -0.18 -2.49 1.01 -1.26 -0.50 120.40 117.45 1ja1 s VAL 513 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1ja1 s VAL 513 Cb -0.02 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1ja1 s VAL 513 CO -0.07 0.55 -0.14 -0.60 0.00 0.00 0.00 175.10 174.84 1ja1 s ARG 514 N -0.32 3.19 0.49 2.72 3.52 -0.07 -4.97 118.95 123.50 1ja1 s ARG 514 Ca 0.06 -0.74 -0.22 0.00 -0.13 0.00 0.00 55.73 54.70 1ja1 s ARG 514 Cb -0.12 -2.70 -0.07 0.00 -1.56 0.00 0.00 34.95 30.50 1ja1 s ARG 514 CO 0.02 -0.09 1.22 0.15 -0.81 0.00 0.00 175.30 175.78 1ja1 s LYS 515 N 1.09 3.58 0.43 5.12 1.02 -1.26 -1.80 119.74 127.93 1ja1 s LYS 515 Ca 0.00 1.89 0.03 0.00 0.02 0.00 0.00 55.97 57.91 1ja1 s LYS 515 Cb -0.14 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 1ja1 s LYS 515 CO -0.04 -0.73 0.08 -1.54 -0.92 0.00 0.00 175.35 172.20 1ja1 s SER 516 N -1.26 3.19 -0.07 2.83 1.04 -1.26 -4.85 113.70 113.31 1ja1 s SER 516 Ca 0.66 -1.64 0.13 0.00 0.48 0.00 0.00 55.95 55.58 1ja1 s SER 516 Cb -0.32 0.44 0.42 0.00 0.10 0.00 0.00 66.02 66.67 1ja1 s SER 516 CO 0.38 -0.87 1.35 0.00 0.98 0.00 0.00 173.24 175.07 1ja1 n GLN 517 N -1.00 2.97 -2.70 4.02 6.02 -1.26 -4.89 117.38 120.54 1ja1 n GLN 517 Ca -0.10 -2.40 -0.42 0.00 -0.01 0.00 0.00 57.00 54.08 1ja1 n GLN 517 Cb 0.66 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 30.36 1ja1 n GLN 517 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1ja1 s PHE 518 N -1.69 2.50 0.04 1.08 2.19 -1.26 -4.99 117.98 115.86 1ja1 s PHE 518 Ca 0.32 -0.23 0.01 0.00 0.33 0.00 0.00 56.93 57.36 1ja1 s PHE 518 Cb 0.21 -4.44 -0.03 0.00 -1.31 0.00 0.00 43.02 37.46 1ja1 s PHE 518 CO 0.14 -1.81 -0.05 1.03 1.83 0.00 0.00 175.22 176.36 1ja1 s ARG 519 N 4.86 0.48 0.77 10.12 1.81 -1.26 -4.19 118.95 131.53 1ja1 s ARG 519 Ca 0.30 -0.84 -0.11 0.00 -1.72 0.00 0.00 55.73 53.36 1ja1 s ARG 519 Cb -0.12 -0.01 0.05 0.00 -0.45 0.00 0.00 34.95 34.42 1ja1 s ARG 519 CO 0.14 -0.03 1.09 -0.51 -0.68 0.00 0.00 175.30 175.31 1ja1 s LEU 520 N -1.93 3.00 0.32 2.53 1.43 -1.26 -4.94 118.68 117.83 1ja1 s LEU 520 Ca -0.07 1.78 -0.29 0.00 -1.03 0.00 0.00 54.13 54.52 1ja1 s LEU 520 Cb -0.05 -4.48 -0.11 0.00 0.03 0.00 0.00 46.19 41.58 1ja1 s LEU 520 CO -0.03 -1.99 1.43 -2.84 0.23 0.00 0.00 176.35 173.15 1ja1 s PRO 521 N -4.92 4.23 0.41 1.29 0.02 -1.26 -4.88 135.00 129.89 1ja1 s PRO 521 Ca 0.61 2.39 0.18 0.00 0.02 0.00 0.00 61.00 64.20 1ja1 s PRO 521 Cb -0.17 -3.04 0.89 0.00 0.02 0.00 0.00 34.50 32.20 1ja1 s PRO 521 CO 0.56 -0.41 1.87 0.74 -0.33 0.00 0.00 177.00 179.43 1ja1 h PHE 522 N 3.83 0.00 -3.62 6.54 -1.00 -1.99 -3.38 116.94 117.32 1ja1 h PHE 522 Ca -0.49 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 59.68 1ja1 h PHE 522 Cb 1.23 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.67 1ja1 h PHE 522 CO 0.56 0.31 0.44 0.21 -1.61 0.00 0.00 178.31 178.22 1ja1 s LYS 523 N -4.06 3.52 0.55 1.51 2.20 -1.26 -4.94 119.74 117.25 1ja1 s LYS 523 Ca -0.02 0.08 0.23 0.00 -0.36 0.00 0.00 55.97 55.90 1ja1 s LYS 523 Cb 0.13 -3.91 1.46 0.00 -1.51 0.00 0.00 37.83 34.01 1ja1 s LYS 523 CO 0.68 -1.10 2.11 0.66 -0.36 0.00 0.00 175.35 177.34 1ja1 h SER 524 N 8.90 0.00 0.80 1.43 4.64 -1.82 -2.41 113.55 125.10 1ja1 h SER 524 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1ja1 h SER 524 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1ja1 h SER 524 CO 0.97 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.28 1ja1 n THR 525 N -4.23 0.48 -2.34 2.95 -2.24 -1.11 -1.43 114.28 106.35 1ja1 n THR 525 Ca 0.02 0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 1ja1 n THR 525 Cb 0.29 -0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 67.75 1ja1 n THR 525 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ja1 s THR 526 N -3.02 3.84 0.61 4.28 2.01 -0.91 -3.39 115.64 119.06 1ja1 s THR 526 Ca 0.11 1.30 -0.18 0.00 0.31 0.00 0.00 61.69 63.22 1ja1 s THR 526 Cb 0.14 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1ja1 s THR 526 CO 0.42 0.08 1.20 -2.84 -0.69 0.00 0.00 174.62 172.79 1ja1 s PRO 527 N 1.36 2.88 -0.03 4.92 0.02 -1.26 -4.37 135.00 138.51 1ja1 s PRO 527 Ca 0.60 1.79 0.03 0.00 0.02 0.00 0.00 61.00 63.45 1ja1 s PRO 527 Cb -0.31 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1ja1 s PRO 527 CO 0.28 -1.27 -0.11 0.14 -0.33 0.00 0.00 177.00 175.71 1ja1 s VAL 528 N -1.68 0.99 -0.26 3.83 -7.23 -0.26 -1.37 120.40 114.41 1ja1 s VAL 528 Ca 0.76 -0.46 0.03 0.00 -1.81 0.00 0.00 61.98 60.50 1ja1 s VAL 528 Cb -0.30 -0.87 0.06 0.00 0.56 0.00 0.00 36.38 35.84 1ja1 s VAL 528 CO 0.35 0.30 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.72 1ja1 s ILE 529 N 0.21 2.10 -0.15 -0.62 1.01 -0.32 -1.26 121.20 122.16 1ja1 s ILE 529 Ca -0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 60.65 58.92 1ja1 s ILE 529 Cb -0.10 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1ja1 s ILE 529 CO 0.01 -0.08 -0.02 -0.04 0.00 0.00 0.00 174.94 174.81 1ja1 s MET 530 N 1.12 3.66 -0.28 2.79 -1.94 0.18 -0.72 119.30 124.11 1ja1 s MET 530 Ca -0.07 -0.49 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 1ja1 s MET 530 Cb -0.20 -2.94 0.08 0.00 2.01 0.00 0.00 34.83 33.78 1ja1 s MET 530 CO -0.05 0.28 -0.00 0.08 -0.01 0.00 0.00 175.02 175.31 1ja1 s VAL 531 N 0.27 1.63 -0.45 -6.03 1.01 0.42 -0.13 120.40 117.12 1ja1 s VAL 531 Ca -0.02 -1.56 0.05 0.00 0.00 0.00 0.00 61.98 60.46 1ja1 s VAL 531 Cb -0.14 -2.02 0.18 0.00 0.00 0.00 0.00 36.38 34.40 1ja1 s VAL 531 CO 0.02 -0.33 0.48 0.61 0.00 0.00 0.00 175.10 175.89 1ja1 n GLY 532 N 4.59 1.21 3.79 4.51 0.00 -0.59 -1.11 105.19 117.58 1ja1 n GLY 532 Ca -0.06 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 1ja1 n GLY 532 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ja1 s PRO 533 N 0.31 3.42 6.02 1.61 0.04 -1.26 -2.19 135.00 142.95 1ja1 s PRO 533 Ca 0.32 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1ja1 s PRO 533 Cb 0.03 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1ja1 s PRO 533 CO -0.15 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.55 1ja1 n GLY 534 N -0.45 2.91 0.00 0.56 0.00 0.28 -1.24 105.19 107.25 1ja1 n GLY 534 Ca 0.10 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.80 1ja1 n GLY 534 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ja1 n THR 535 N 0.00 0.59 0.38 2.61 -2.24 -1.26 -1.78 114.28 112.58 1ja1 n THR 535 Ca 0.00 0.15 0.05 0.00 -2.27 0.00 0.00 64.05 61.98 1ja1 n THR 535 Cb 0.00 -0.96 0.23 0.00 -2.10 0.00 0.00 70.33 67.50 1ja1 n THR 535 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ja1 n GLY 536 N -0.30 -0.78 0.21 3.38 0.00 -0.37 -1.47 105.19 105.86 1ja1 n GLY 536 Ca 0.06 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1ja1 n GLY 536 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ja1 h ILE 537 N 0.00 0.58 -0.58 -0.61 6.09 -0.85 -3.38 117.51 118.75 1ja1 h ILE 537 Ca 0.00 -1.22 0.05 0.00 -1.37 0.00 0.00 64.86 62.32 1ja1 h ILE 537 Cb 0.15 1.83 -0.07 0.00 0.47 0.00 0.00 36.82 39.20 1ja1 h ILE 537 CO 0.00 0.24 -0.36 0.00 -3.07 0.00 0.00 178.15 174.96 1ja1 h ALA 538 N 1.75 -0.37 0.00 0.18 0.00 -1.51 -1.13 119.26 118.19 1ja1 h ALA 538 Ca -0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ja1 h ALA 538 Cb 0.81 1.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1ja1 h ALA 538 CO 0.03 -0.61 -0.15 -1.00 0.00 0.00 0.00 179.25 177.52 1ja1 h PRO 539 N -0.03 0.00 0.00 0.00 0.13 -1.74 -2.68 132.00 127.68 1ja1 h PRO 539 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1ja1 h PRO 539 Cb 0.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 1ja1 h PRO 539 CO -0.56 0.15 -0.07 0.74 -0.23 0.00 0.00 178.00 178.04 1ja1 h PHE 540 N 0.00 0.00 -0.32 1.56 0.04 -1.45 -1.55 116.94 115.22 1ja1 h PHE 540 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1ja1 h PHE 540 Cb 0.27 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1ja1 h PHE 540 CO 0.00 0.07 -0.15 0.52 -0.60 0.00 0.00 178.31 178.15 1ja1 h MET 541 N 0.00 0.57 -0.02 1.51 2.86 -1.10 0.12 114.93 118.87 1ja1 h MET 541 Ca -0.00 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1ja1 h MET 541 Cb 0.56 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1ja1 h MET 541 CO 0.01 0.70 -0.01 0.78 1.06 0.00 0.00 176.91 179.45 1ja1 h GLY 542 N 0.96 0.04 0.42 8.32 0.00 -1.28 -0.95 103.07 110.58 1ja1 h GLY 542 Ca 0.09 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.47 1ja1 h GLY 542 CO 0.04 0.03 0.16 0.74 0.00 0.00 0.00 176.54 177.50 1ja1 h PHE 543 N -0.36 0.27 -0.46 5.60 0.05 -1.07 -0.74 116.94 120.23 1ja1 h PHE 543 Ca 0.00 0.03 -0.06 0.00 3.82 0.00 0.00 57.97 61.76 1ja1 h PHE 543 Cb 0.42 -0.04 -0.02 0.00 2.00 0.00 0.00 35.95 38.31 1ja1 h PHE 543 CO 0.07 0.05 0.05 0.82 -0.18 0.00 0.00 178.31 179.11 1ja1 h ILE 544 N 0.32 1.25 -0.89 -0.55 2.04 -0.73 -0.40 117.51 118.54 1ja1 h ILE 544 Ca 0.26 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1ja1 h ILE 544 Cb 0.32 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1ja1 h ILE 544 CO -0.29 0.34 0.58 1.56 0.00 0.00 0.00 178.15 180.34 1ja1 h GLN 545 N 0.63 1.08 -0.03 2.37 4.20 -0.74 -1.48 115.11 121.14 1ja1 h GLN 545 Ca 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1ja1 h GLN 545 Cb 0.43 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1ja1 h GLN 545 CO 0.01 0.72 -0.02 1.49 -0.67 0.00 0.00 178.83 180.36 1ja1 h GLU 546 N 1.11 0.07 -0.84 1.46 4.81 -0.65 -1.71 114.58 118.84 1ja1 h GLU 546 Ca 0.35 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.58 1ja1 h GLU 546 Cb 0.02 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1ja1 h GLU 546 CO -0.10 0.49 0.55 0.00 -0.73 0.00 0.00 179.01 179.22 1ja1 h ARG 547 N -0.34 1.01 -0.55 1.92 2.47 -0.91 0.27 114.38 118.25 1ja1 h ARG 547 Ca 0.01 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 1ja1 h ARG 547 Cb 0.47 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1ja1 h ARG 547 CO 0.01 0.67 0.20 0.00 0.56 0.00 0.00 179.97 181.40 1ja1 h ALA 548 N 1.51 0.72 -0.47 0.04 0.00 -1.22 -1.09 119.26 118.74 1ja1 h ALA 548 Ca 0.33 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1ja1 h ALA 548 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ja1 h ALA 548 CO -0.10 0.36 0.15 2.35 0.00 0.00 0.00 179.25 182.01 1ja1 h TRP 549 N 0.76 0.76 -0.32 0.00 7.01 -0.23 -1.71 115.95 122.22 1ja1 h TRP 549 Ca 0.18 -0.08 0.01 0.00 2.11 0.00 0.00 58.89 61.12 1ja1 h TRP 549 Cb 0.24 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 1ja1 h TRP 549 CO 0.01 0.67 0.18 -0.07 -2.79 0.00 0.00 178.44 176.44 1ja1 h LEU 550 N 0.63 0.30 -0.28 0.65 3.38 -0.28 0.14 115.31 119.86 1ja1 h LEU 550 Ca 0.15 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1ja1 h LEU 550 Cb 0.26 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1ja1 h LEU 550 CO -0.01 0.22 -0.01 0.03 0.09 0.00 0.00 178.44 178.76 1ja1 h ARG 551 N 0.38 0.07 0.00 1.13 3.08 -0.97 -1.10 114.38 116.97 1ja1 h ARG 551 Ca 0.12 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ja1 h ARG 551 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1ja1 h ARG 551 CO -0.06 0.04 0.00 1.05 -1.07 0.00 0.00 179.97 179.94 1ja1 h GLU 552 N 0.07 0.00 -0.00 0.04 4.11 -0.95 -1.94 114.58 115.90 1ja1 h GLU 552 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1ja1 h GLU 552 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ja1 h GLU 552 CO -0.23 0.00 -0.01 1.04 0.07 0.00 0.00 179.01 179.88 1ja1 n GLN 553 N -2.98 0.85 -0.17 1.06 1.13 0.01 -4.89 117.38 112.39 1ja1 n GLN 553 Ca 0.01 -0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1ja1 n GLN 553 Cb 0.29 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1ja1 n GLN 553 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ja1 n GLY 554 N 1.10 0.62 3.83 1.08 0.00 -0.73 -5.07 105.19 106.02 1ja1 n GLY 554 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1ja1 n GLY 554 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ja1 s LYS 555 N -0.83 4.07 -0.27 1.61 -0.14 -0.93 -5.02 119.74 118.23 1ja1 s LYS 555 Ca 0.00 1.06 -0.24 0.00 -1.36 0.00 0.00 55.97 55.43 1ja1 s LYS 555 Cb 0.00 -2.15 -0.00 0.00 -1.68 0.00 0.00 37.83 33.99 1ja1 s LYS 555 CO 0.00 -0.17 0.80 -2.00 -0.76 0.00 0.00 175.35 173.22 1ja1 s GLU 556 N -3.59 4.08 -0.15 1.68 2.12 -1.26 -4.39 118.70 117.19 1ja1 s GLU 556 Ca 0.61 0.75 -0.02 0.00 0.36 0.00 0.00 54.97 56.67 1ja1 s GLU 556 Cb -0.10 -3.68 -0.02 0.00 0.26 0.00 0.00 34.13 30.59 1ja1 s GLU 556 CO 0.22 -0.59 -0.08 0.08 -0.54 0.00 0.00 175.26 174.35 1ja1 s VAL 557 N 2.88 3.47 0.94 3.70 1.01 -1.26 -2.75 120.40 128.39 1ja1 s VAL 557 Ca 0.33 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1ja1 s VAL 557 Cb -0.15 -2.50 0.24 0.00 0.00 0.00 0.00 36.38 33.97 1ja1 s VAL 557 CO 0.10 0.50 0.75 0.61 0.00 0.00 0.00 175.10 177.06 1ja1 n GLY 558 N 3.62 -3.00 3.76 4.51 0.00 -0.51 -4.90 105.19 108.67 1ja1 n GLY 558 Ca -0.18 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 1ja1 n GLY 558 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ja1 s GLU 559 N -4.73 3.62 -0.28 1.61 2.02 -1.26 -4.84 118.70 114.84 1ja1 s GLU 559 Ca 0.51 2.40 0.01 0.00 0.02 0.00 0.00 54.97 57.90 1ja1 s GLU 559 Cb -0.06 -2.61 0.08 0.00 0.10 0.00 0.00 34.13 31.64 1ja1 s GLU 559 CO 0.40 -0.86 0.03 0.99 0.02 0.00 0.00 175.26 175.84 1ja1 s THR 560 N -1.21 1.39 -0.15 3.63 2.01 -1.26 -1.10 115.64 118.96 1ja1 s THR 560 Ca 0.62 -1.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1ja1 s THR 560 Cb -0.43 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1ja1 s THR 560 CO 0.55 -0.42 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.27 1ja1 s LEU 561 N 1.40 3.30 -0.11 4.42 1.43 -0.39 -0.12 118.68 128.61 1ja1 s LEU 561 Ca 0.04 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1ja1 s LEU 561 Cb -0.18 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 1ja1 s LEU 561 CO -0.13 0.20 -0.20 -0.22 0.23 0.00 0.00 176.35 176.23 1ja1 s LEU 562 N 0.18 2.34 -0.32 1.79 2.96 -0.83 -0.65 118.68 124.16 1ja1 s LEU 562 Ca -0.01 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1ja1 s LEU 562 Cb -0.14 -1.49 0.06 0.00 0.50 0.00 0.00 46.19 45.13 1ja1 s LEU 562 CO 0.03 0.17 0.04 -0.31 -1.32 0.00 0.00 176.35 174.95 1ja1 s TYR 563 N 0.31 3.35 0.28 5.38 2.02 0.82 -0.96 117.35 128.54 1ja1 s TYR 563 Ca -0.15 -2.03 0.11 0.00 -0.37 0.00 0.00 57.07 54.64 1ja1 s TYR 563 Cb -0.17 -2.35 -0.05 0.00 -0.40 0.00 0.00 41.96 38.99 1ja1 s TYR 563 CO 0.07 -0.84 -0.15 -0.47 -1.57 0.00 0.00 175.55 172.59 1ja1 s TYR 564 N 1.21 2.39 -0.07 2.71 5.04 0.29 -1.54 117.35 127.39 1ja1 s TYR 564 Ca -0.02 -0.30 -0.10 0.00 -2.44 0.00 0.00 57.07 54.21 1ja1 s TYR 564 Cb -0.20 -1.04 0.02 0.00 0.35 0.00 0.00 41.96 41.09 1ja1 s TYR 564 CO -0.02 0.69 0.25 0.20 -1.34 0.00 0.00 175.55 175.34 1ja1 s GLY 565 N -3.55 -0.16 0.30 8.97 0.00 -1.26 -0.95 107.32 110.67 1ja1 s GLY 565 Ca 0.30 0.56 -0.09 0.00 0.00 0.00 0.00 44.72 45.49 1ja1 s GLY 565 CO 0.16 0.44 0.51 0.00 0.00 0.00 0.00 173.10 174.21 1ja1 h ARG 567 N 2.18 -0.10 -2.97 0.00 3.08 -1.85 -0.43 114.38 114.29 1ja1 h ARG 567 Ca -0.28 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.66 1ja1 h ARG 567 Cb 1.25 0.02 -0.21 0.00 0.08 0.00 0.00 29.97 31.11 1ja1 h ARG 567 CO 0.38 0.45 -0.27 1.03 -1.07 0.00 0.00 179.97 180.49 1ja1 s ARG 568 N -3.39 0.61 0.54 0.04 0.52 -1.26 -0.78 118.95 115.23 1ja1 s ARG 568 Ca -0.15 0.00 0.25 0.00 -0.52 0.00 0.00 55.73 55.31 1ja1 s ARG 568 Cb 0.00 0.28 1.54 0.00 0.52 0.00 0.00 34.95 37.28 1ja1 s ARG 568 CO 0.57 -0.15 2.16 0.66 0.02 0.00 0.00 175.30 178.56 1ja1 h SER 569 N 4.30 0.00 -0.70 0.23 4.64 -1.94 -1.07 113.55 119.01 1ja1 h SER 569 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1ja1 h SER 569 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1ja1 h SER 569 CO 0.37 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.48 1ja1 n ASP 570 N -3.99 3.79 0.02 4.97 5.68 -1.26 -4.29 116.55 121.47 1ja1 n ASP 570 Ca -0.03 -2.02 -0.01 0.00 -0.50 0.00 0.00 54.79 52.24 1ja1 n ASP 570 Cb 0.14 -0.47 -0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1ja1 n ASP 570 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1ja1 n GLU 571 N 1.54 0.03 -2.71 0.11 4.07 -0.46 -3.74 120.64 119.48 1ja1 n GLU 571 Ca 0.24 0.01 -0.06 0.00 -0.06 0.00 0.00 57.16 57.29 1ja1 n GLU 571 Cb 0.60 -0.55 0.07 0.00 -0.06 0.00 0.00 31.44 31.50 1ja1 n GLU 571 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1ja1 n ASP 572 N -3.33 0.22 -4.53 4.31 5.68 -0.89 -0.59 116.55 117.42 1ja1 n ASP 572 Ca -0.02 -2.43 -0.42 0.00 -0.50 0.00 0.00 54.79 51.43 1ja1 n ASP 572 Cb 0.26 0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.25 1ja1 n ASP 572 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ja1 s TYR 573 N -1.99 2.64 0.28 2.11 6.04 -1.23 -4.67 117.35 120.53 1ja1 s TYR 573 Ca 0.23 -0.89 -0.30 0.00 0.04 0.00 0.00 57.07 56.16 1ja1 s TYR 573 Cb 0.41 -4.59 -0.11 0.00 -1.04 0.00 0.00 41.96 36.64 1ja1 s TYR 573 CO -0.03 -1.84 1.49 -0.51 -1.54 0.00 0.00 175.55 173.11 1ja1 s LEU 574 N 4.51 4.37 -1.38 6.97 1.43 -1.26 -2.87 118.68 130.45 1ja1 s LEU 574 Ca 0.41 2.79 -0.09 0.00 -1.03 0.00 0.00 54.13 56.22 1ja1 s LEU 574 Cb -0.02 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1ja1 s LEU 574 CO -0.07 -0.77 0.57 -1.22 0.23 0.00 0.00 176.35 175.08 1ja1 n TYR 575 N 2.07 -1.89 -0.13 0.29 4.01 -1.26 -4.87 117.16 115.38 1ja1 n TYR 575 Ca 0.06 0.53 -0.04 0.00 -0.16 0.00 0.00 57.90 58.29 1ja1 n TYR 575 Cb 0.39 -3.48 0.02 0.00 -0.31 0.00 0.00 39.34 35.97 1ja1 n TYR 575 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1ja1 h ARG 576 N -1.20 -0.02 -0.24 -0.72 2.43 -1.89 -1.24 114.38 111.50 1ja1 h ARG 576 Ca -0.47 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1ja1 h ARG 576 Cb 1.32 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1ja1 h ARG 576 CO 0.56 -0.01 0.04 0.93 -1.51 0.00 0.00 179.97 179.98 1ja1 h GLU 577 N -0.02 0.40 -0.30 0.20 3.07 -1.89 -1.72 114.58 114.33 1ja1 h GLU 577 Ca 0.21 -0.11 0.03 0.00 -0.50 0.00 0.00 59.36 58.99 1ja1 h GLU 577 Cb 0.33 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1ja1 h GLU 577 CO -0.45 0.53 0.10 0.93 -1.40 0.00 0.00 179.01 178.72 1ja1 h GLU 578 N 0.21 0.23 -0.74 2.33 3.07 -1.88 -1.80 114.58 116.00 1ja1 h GLU 578 Ca 0.07 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.87 1ja1 h GLU 578 Cb 0.32 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1ja1 h GLU 578 CO 0.00 0.15 0.27 -0.07 -1.40 0.00 0.00 179.01 177.96 1ja1 h LEU 579 N 0.23 1.04 -0.84 1.33 3.38 -1.21 -0.63 115.31 118.61 1ja1 h LEU 579 Ca 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ja1 h LEU 579 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1ja1 h LEU 579 CO -0.13 0.94 0.47 0.00 0.09 0.00 0.00 178.44 179.80 1ja1 h ALA 580 N 1.20 1.07 -0.19 1.53 0.00 -0.92 -0.56 119.26 121.39 1ja1 h ALA 580 Ca 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ja1 h ALA 580 Cb 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ja1 h ALA 580 CO -0.01 0.58 -0.04 -0.09 0.00 0.00 0.00 179.25 179.68 1ja1 h ARG 581 N 1.17 0.36 -0.90 0.00 9.65 -0.93 -1.12 114.38 122.60 1ja1 h ARG 581 Ca 0.30 -0.14 0.09 0.00 -1.10 0.00 0.00 59.98 59.13 1ja1 h ARG 581 Cb 0.02 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.51 1ja1 h ARG 581 CO -0.05 0.61 0.55 0.74 2.80 0.00 0.00 179.97 184.63 1ja1 h PHE 582 N 0.08 1.01 -0.15 2.20 0.04 -0.79 -0.41 116.94 118.91 1ja1 h PHE 582 Ca 0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1ja1 h PHE 582 Cb 0.48 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1ja1 h PHE 582 CO 0.05 0.45 0.00 1.25 -0.60 0.00 0.00 178.31 179.46 1ja1 h HIS 583 N 0.94 0.29 -0.54 -0.55 2.76 -0.97 -1.43 115.15 115.65 1ja1 h HIS 583 Ca 0.42 -0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.57 1ja1 h HIS 583 Cb 0.32 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 1ja1 h HIS 583 CO -0.03 0.49 0.36 -0.22 -1.30 0.00 0.00 177.93 177.22 1ja1 h LYS 584 N 0.01 0.61 -0.00 5.26 3.64 -0.50 -1.52 116.57 124.06 1ja1 h LYS 584 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ja1 h LYS 584 Cb 0.37 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1ja1 h LYS 584 CO 0.01 0.40 -0.07 -0.25 -2.27 0.00 0.00 179.45 177.27 1ja1 n ASP 585 N -4.47 0.36 0.00 4.20 10.43 -0.23 -4.92 116.55 121.93 1ja1 n ASP 585 Ca 0.06 -0.59 0.00 0.00 2.57 0.00 0.00 54.79 56.84 1ja1 n ASP 585 Cb 0.14 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 42.99 1ja1 n ASP 585 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ja1 n GLY 586 N 1.24 1.05 0.20 0.44 0.00 -0.57 -4.89 105.19 102.66 1ja1 n GLY 586 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ja1 n GLY 586 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja1 h ALA 587 N 0.00 1.29 -3.20 4.61 0.00 -1.51 -3.36 119.26 117.09 1ja1 h ALA 587 Ca 0.00 -0.34 -0.69 0.00 0.00 0.00 0.00 54.91 53.87 1ja1 h ALA 587 Cb 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 17.40 1ja1 h ALA 587 CO 0.00 0.50 -0.60 -1.17 0.00 0.00 0.00 179.25 177.98 1ja1 s LEU 588 N -8.34 4.54 0.29 0.00 2.96 -0.95 -4.67 118.68 112.51 1ja1 s LEU 588 Ca -0.04 -1.45 -0.00 0.00 -0.22 0.00 0.00 54.13 52.42 1ja1 s LEU 588 Cb 0.14 -1.83 0.49 0.00 0.50 0.00 0.00 46.19 45.49 1ja1 s LEU 588 CO 0.75 -0.39 1.90 0.74 -1.32 0.00 0.00 176.35 178.03 1ja1 h THR 589 N 6.29 1.07 -3.02 3.68 2.02 -0.68 -3.40 112.91 118.87 1ja1 h THR 589 Ca -0.20 -0.37 -0.16 0.00 0.77 0.00 0.00 66.41 66.45 1ja1 h THR 589 Cb 1.07 -0.11 -0.26 0.00 -1.74 0.00 0.00 68.15 67.11 1ja1 h THR 589 CO 0.63 0.20 -0.39 -1.10 0.37 0.00 0.00 175.52 175.22 1ja1 s GLN 590 N -5.95 0.32 -0.49 6.66 -0.21 -1.21 -5.01 119.66 113.78 1ja1 s GLN 590 Ca -0.12 0.44 0.02 0.00 0.02 0.00 0.00 55.36 55.72 1ja1 s GLN 590 Cb 0.20 0.12 0.13 0.00 1.00 0.00 0.00 33.01 34.45 1ja1 s GLN 590 CO 0.80 -0.06 0.24 -1.17 -2.12 0.00 0.00 175.29 172.99 1ja1 s LEU 591 N 0.37 4.72 -0.45 2.90 2.96 -1.26 -1.96 118.68 125.96 1ja1 s LEU 591 Ca -0.02 -2.68 -0.16 0.00 -0.22 0.00 0.00 54.13 51.06 1ja1 s LEU 591 Cb -0.03 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 45.00 1ja1 s LEU 591 CO -0.02 -0.33 0.39 0.20 -1.32 0.00 0.00 176.35 175.27 1ja1 s ASN 592 N 0.42 6.15 -0.16 3.68 0.01 -0.13 -5.03 114.94 119.88 1ja1 s ASN 592 Ca 0.15 -1.10 -0.00 0.00 -0.71 0.00 0.00 52.86 51.20 1ja1 s ASN 592 Cb -0.23 -2.19 -0.00 0.00 0.41 0.00 0.00 41.25 39.24 1ja1 s ASN 592 CO -0.03 -0.60 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.13 1ja1 s VAL 593 N 1.77 2.75 -0.35 1.60 1.01 -1.26 -0.55 120.40 125.38 1ja1 s VAL 593 Ca 0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 1ja1 s VAL 593 Cb -0.22 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1ja1 s VAL 593 CO 0.09 0.51 0.29 0.00 0.00 0.00 0.00 175.10 175.98 1ja1 s ALA 594 N 0.82 3.50 -0.57 5.51 0.00 -0.12 -4.99 121.76 125.90 1ja1 s ALA 594 Ca -0.05 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.39 1ja1 s ALA 594 Cb -0.15 -2.73 0.11 0.00 0.00 0.00 0.00 23.12 20.34 1ja1 s ALA 594 CO 0.00 -1.04 0.64 -0.06 0.00 0.00 0.00 175.76 175.31 1ja1 s PHE 595 N 1.82 3.07 0.44 0.00 0.08 -1.26 -1.79 117.98 120.33 1ja1 s PHE 595 Ca 0.08 -1.03 0.19 0.00 0.12 0.00 0.00 56.93 56.29 1ja1 s PHE 595 Cb -0.17 -3.93 1.16 0.00 -0.57 0.00 0.00 43.02 39.51 1ja1 s PHE 595 CO 0.11 -1.21 2.01 0.66 -0.10 0.00 0.00 175.22 176.70 1ja1 h SER 596 N 9.10 0.00 0.00 1.36 4.64 -1.02 -3.24 113.55 124.40 1ja1 h SER 596 Ca -0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ja1 h SER 596 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ja1 h SER 596 CO 1.08 0.17 -0.43 0.54 -0.87 0.00 0.00 176.83 177.32 1ja1 n ARG 597 N -4.06 1.53 0.00 4.77 1.74 0.04 -3.92 116.66 116.76 1ja1 n ARG 597 Ca -0.02 -3.19 0.12 0.00 -0.77 0.00 0.00 57.85 53.99 1ja1 n ARG 597 Cb 0.25 -1.59 0.17 0.00 -1.02 0.00 0.00 32.46 30.28 1ja1 n ARG 597 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ja1 n GLU 598 N -1.15 1.04 -4.15 5.56 1.02 -1.22 -4.87 120.64 116.87 1ja1 n GLU 598 Ca 0.18 -0.77 -0.11 0.00 -0.02 0.00 0.00 57.16 56.45 1ja1 n GLU 598 Cb 0.69 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.53 1ja1 n GLU 598 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1ja1 s GLN 599 N -2.49 1.13 0.29 3.49 0.00 -1.26 -5.06 119.66 115.77 1ja1 s GLN 599 Ca 0.21 -1.50 -0.02 0.00 -0.00 0.00 0.00 55.36 54.05 1ja1 s GLN 599 Cb 0.19 0.28 0.44 0.00 0.00 0.00 0.00 33.01 33.92 1ja1 s GLN 599 CO 0.55 -0.37 1.95 0.00 0.00 0.00 0.00 175.29 177.42 1ja1 h ALA 600 N 2.67 1.42 -2.19 2.60 0.00 -1.92 -3.43 119.26 118.40 1ja1 h ALA 600 Ca -0.35 -0.05 -0.47 0.00 0.00 0.00 0.00 54.91 54.04 1ja1 h ALA 600 Cb 1.23 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1ja1 h ALA 600 CO 0.53 0.51 -0.18 -3.38 0.00 0.00 0.00 179.25 176.74 1ja1 s HIS 601 N -5.95 3.44 0.24 0.00 0.00 -1.26 -5.07 115.29 106.69 1ja1 s HIS 601 Ca -0.12 0.31 -0.30 0.00 -3.00 0.00 0.00 55.06 51.96 1ja1 s HIS 601 Cb 0.18 -1.98 -0.09 0.00 -4.00 0.00 0.00 32.58 26.70 1ja1 s HIS 601 CO 0.80 0.03 0.94 0.15 -1.00 0.00 0.00 174.74 175.66 1ja1 s LYS 602 N -4.36 4.85 -0.16 -0.38 -0.14 -1.26 -4.76 119.74 113.52 1ja1 s LYS 602 Ca 0.42 1.49 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 1ja1 s LYS 602 Cb -0.10 -3.27 0.03 0.00 -1.68 0.00 0.00 37.83 32.82 1ja1 s LYS 602 CO 0.36 0.51 -0.10 0.08 -0.76 0.00 0.00 175.35 175.44 1ja1 s VAL 603 N -1.19 1.40 0.35 3.17 1.01 -1.25 -5.03 120.40 118.86 1ja1 s VAL 603 Ca 0.41 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1ja1 s VAL 603 Cb -0.26 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.62 1ja1 s VAL 603 CO 0.32 0.27 -0.01 -0.31 0.00 0.00 0.00 175.10 175.37 1ja1 s TYR 604 N 1.53 2.50 0.39 5.22 4.12 -1.26 -3.15 117.35 126.69 1ja1 s TYR 604 Ca 0.02 -0.49 0.11 0.00 0.02 0.00 0.00 57.07 56.73 1ja1 s TYR 604 Cb -0.14 -1.51 0.90 0.00 -1.52 0.00 0.00 41.96 39.69 1ja1 s TYR 604 CO -0.09 0.49 1.90 -0.39 0.02 0.00 0.00 175.55 177.49 1ja1 h VAL 605 N 1.85 0.85 -0.00 0.71 -1.51 -1.89 -0.31 116.25 115.95 1ja1 h VAL 605 Ca -0.43 -0.20 -0.02 0.00 -1.23 0.00 0.00 66.70 64.83 1ja1 h VAL 605 Cb 1.25 0.21 -0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1ja1 h VAL 605 CO 0.70 0.11 -0.07 0.06 -1.23 0.00 0.00 177.57 177.13 1ja1 h GLN 606 N 0.59 0.00 -0.36 5.19 -0.00 -1.96 -0.85 115.11 117.72 1ja1 h GLN 606 Ca 0.39 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.94 1ja1 h GLN 606 Cb 0.70 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.16 1ja1 h GLN 606 CO -0.15 0.07 -0.18 0.45 -0.00 0.00 0.00 178.83 179.01 1ja1 h HIS 607 N 0.00 0.76 -0.06 0.06 3.86 -1.45 -0.62 115.15 117.70 1ja1 h HIS 607 Ca -0.00 -0.15 -0.19 0.00 -1.16 0.00 0.00 60.37 58.86 1ja1 h HIS 607 Cb 0.13 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1ja1 h HIS 607 CO 0.00 0.82 -0.78 -0.07 0.86 0.00 0.00 177.93 178.76 1ja1 h LEU 608 N 0.61 0.47 -0.70 2.43 3.38 -1.26 -1.16 115.31 119.08 1ja1 h LEU 608 Ca 0.09 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1ja1 h LEU 608 Cb 0.65 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1ja1 h LEU 608 CO 0.05 1.08 0.31 -0.07 0.09 0.00 0.00 178.44 179.90 1ja1 h LEU 609 N 0.25 0.93 -0.46 1.67 3.38 -0.84 -0.93 115.31 119.31 1ja1 h LEU 609 Ca -0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1ja1 h LEU 609 Cb 1.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1ja1 h LEU 609 CO 0.13 0.82 0.15 0.50 0.09 0.00 0.00 178.44 180.14 1ja1 h LYS 610 N 0.98 0.71 -0.87 1.13 1.63 -1.00 -0.96 116.57 118.19 1ja1 h LYS 610 Ca 0.24 -0.15 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1ja1 h LYS 610 Cb 0.16 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.62 1ja1 h LYS 610 CO -0.03 0.67 0.54 -0.09 -3.45 0.00 0.00 179.45 177.10 1ja1 h ARG 611 N 0.61 0.96 -0.63 1.90 2.43 -0.69 -2.16 114.38 116.81 1ja1 h ARG 611 Ca 0.15 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ja1 h ARG 611 Cb 0.25 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1ja1 h ARG 611 CO -0.01 0.64 0.00 -0.25 -1.51 0.00 0.00 179.97 178.84 1ja1 n ASP 612 N -4.61 5.17 -0.33 -3.80 10.43 -0.40 -4.71 116.55 118.30 1ja1 n ASP 612 Ca 0.13 -2.79 0.10 0.00 2.57 0.00 0.00 54.79 54.80 1ja1 n ASP 612 Cb 0.18 -0.66 0.27 0.00 1.84 0.00 0.00 41.12 42.76 1ja1 n ASP 612 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1ja1 h ARG 613 N 3.62 0.68 -0.21 -1.24 0.11 -0.49 -1.34 114.38 115.52 1ja1 h ARG 613 Ca 0.00 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 1ja1 h ARG 613 Cb 1.78 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.70 1ja1 h ARG 613 CO 0.42 0.45 0.05 1.49 0.10 0.00 0.00 179.97 182.47 1ja1 h GLU 614 N 0.70 0.33 -0.75 0.08 4.81 -1.85 -0.87 114.58 117.04 1ja1 h GLU 614 Ca 0.52 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.62 1ja1 h GLU 614 Cb 0.78 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 1ja1 h GLU 614 CO -0.38 0.46 0.24 1.25 -0.73 0.00 0.00 179.01 179.86 1ja1 h HIS 615 N 0.15 1.19 -0.65 0.92 2.76 -1.83 -2.05 115.15 115.63 1ja1 h HIS 615 Ca 0.06 -0.11 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 1ja1 h HIS 615 Cb 0.28 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 1ja1 h HIS 615 CO 0.01 0.93 0.13 -0.07 -1.30 0.00 0.00 177.93 177.63 1ja1 h LEU 616 N 1.11 1.00 -0.82 0.26 3.38 -1.11 -1.42 115.31 117.71 1ja1 h LEU 616 Ca 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ja1 h LEU 616 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1ja1 h LEU 616 CO -0.01 0.99 0.43 -0.25 0.09 0.00 0.00 178.44 179.69 1ja1 h TRP 617 N 0.97 1.14 -0.29 1.13 2.91 -0.89 -0.06 115.95 120.87 1ja1 h TRP 617 Ca 0.20 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 1ja1 h TRP 617 Cb 0.40 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 1ja1 h TRP 617 CO 0.03 0.81 0.15 -0.22 -1.03 0.00 0.00 178.44 178.18 1ja1 h LYS 618 N 1.14 0.40 -0.90 2.65 3.64 -1.07 0.48 116.57 122.92 1ja1 h LYS 618 Ca 0.29 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1ja1 h LYS 618 Cb 0.06 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1ja1 h LYS 618 CO -0.04 0.36 0.58 -0.07 -2.27 0.00 0.00 179.45 178.01 1ja1 h LEU 619 N 0.34 0.97 0.02 5.20 4.07 -0.81 0.46 115.31 125.55 1ja1 h LEU 619 Ca 0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.05 1ja1 h LEU 619 Cb 0.08 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1ja1 h LEU 619 CO -0.02 0.66 -0.01 0.40 -1.08 0.00 0.00 178.44 178.40 1ja1 h ILE 620 N 1.13 1.49 0.12 1.22 2.04 -0.64 0.43 117.51 123.29 1ja1 h ILE 620 Ca 0.36 -1.79 -0.28 0.00 1.00 0.00 0.00 64.86 64.15 1ja1 h ILE 620 Cb 0.01 2.65 0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1ja1 h ILE 620 CO -0.12 0.44 -1.22 -0.74 0.00 0.00 0.00 178.15 176.51 1ja1 h HIS 621 N -0.83 0.75 0.00 1.37 2.76 -0.04 -3.23 115.15 115.93 1ja1 h HIS 621 Ca -0.00 -0.49 -0.27 0.00 -2.20 0.00 0.00 60.37 57.41 1ja1 h HIS 621 Cb 0.75 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.61 1ja1 h HIS 621 CO 0.19 1.36 -2.01 0.39 -1.30 0.00 0.00 177.93 176.55 1ja1 n GLU 622 N -3.68 1.56 0.00 5.26 1.02 0.15 -4.59 120.64 120.36 1ja1 n GLU 622 Ca -0.11 -0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.15 1ja1 n GLU 622 Cb 0.99 -1.38 0.26 0.00 -0.02 0.00 0.00 31.44 31.29 1ja1 n GLU 622 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ja1 n GLY 623 N 2.08 0.30 2.60 0.62 0.00 -0.33 -4.96 105.19 105.51 1ja1 n GLY 623 Ca -0.24 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1ja1 n GLY 623 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja1 n GLY 624 N 1.30 -0.51 3.70 -0.02 0.00 -0.65 -4.49 105.19 104.53 1ja1 n GLY 624 Ca 0.15 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1ja1 n GLY 624 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja1 s ALA 625 N -3.02 1.87 -0.12 4.61 0.00 0.05 -4.73 121.76 120.43 1ja1 s ALA 625 Ca 0.09 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 1ja1 s ALA 625 Cb -0.04 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1ja1 s ALA 625 CO 0.12 -2.25 0.04 -1.01 0.00 0.00 0.00 175.76 172.65 1ja1 s HIS 626 N -2.12 3.26 -0.10 0.00 3.76 -0.47 -4.82 115.29 114.80 1ja1 s HIS 626 Ca 0.73 0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.83 1ja1 s HIS 626 Cb -0.29 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 1ja1 s HIS 626 CO 0.50 0.43 -0.01 0.42 -0.85 0.00 0.00 174.74 175.24 1ja1 s ILE 627 N -0.60 4.23 -0.02 0.60 1.01 0.23 -1.18 121.20 125.47 1ja1 s ILE 627 Ca 0.11 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1ja1 s ILE 627 Cb -0.12 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1ja1 s ILE 627 CO 0.02 0.59 -0.08 -0.31 0.00 0.00 0.00 174.94 175.16 1ja1 s TYR 628 N -0.68 0.88 -0.05 3.97 1.51 0.10 -0.21 117.35 122.87 1ja1 s TYR 628 Ca 0.11 -0.22 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 1ja1 s TYR 628 Cb -0.12 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.11 1ja1 s TYR 628 CO 0.02 -0.09 -0.12 0.08 -1.11 0.00 0.00 175.55 174.33 1ja1 s VAL 629 N 0.21 1.08 0.03 0.71 1.01 -0.33 -0.44 120.40 122.66 1ja1 s VAL 629 Ca -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1ja1 s VAL 629 Cb -0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1ja1 s VAL 629 CO 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 175.10 175.43 1ja1 s ALA 630 N 0.49 0.16 0.00 5.51 0.00 -0.27 -0.96 121.76 126.69 1ja1 s ALA 630 Ca -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ja1 s ALA 630 Cb -0.14 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1ja1 s ALA 630 CO 0.03 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1ja1 n GLY 631 N 1.23 0.24 3.61 0.00 0.00 -0.93 -4.15 105.19 105.19 1ja1 n GLY 631 Ca -0.22 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.55 1ja1 n GLY 631 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ja1 n ASP 632 N 0.00 3.41 0.08 1.61 4.64 -1.26 -1.32 116.55 123.72 1ja1 n ASP 632 Ca 0.00 0.54 -0.13 0.00 -1.38 0.00 0.00 54.79 53.82 1ja1 n ASP 632 Cb 0.00 -1.48 -0.13 0.00 -1.04 0.00 0.00 41.12 38.46 1ja1 n ASP 632 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ja1 h ALA 633 N 12.60 0.21 -0.20 -1.67 0.00 -1.60 -1.24 119.26 127.36 1ja1 h ALA 633 Ca -0.43 -0.93 -0.05 0.00 0.00 0.00 0.00 54.91 53.50 1ja1 h ALA 633 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1ja1 h ALA 633 CO 0.96 1.09 -0.06 0.07 0.00 0.00 0.00 179.25 181.31 1ja1 h ARG 634 N 0.05 0.39 0.00 0.00 0.11 -1.91 -3.38 114.38 109.64 1ja1 h ARG 634 Ca -0.11 -0.16 -0.03 0.00 0.10 0.00 0.00 59.98 59.79 1ja1 h ARG 634 Cb 1.91 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.97 1ja1 h ARG 634 CO 0.17 0.66 -0.56 0.09 0.10 0.00 0.00 179.97 180.43 1ja1 n ASN 635 N -4.61 0.96 -0.07 0.08 4.13 -1.26 -4.64 115.26 109.85 1ja1 n ASN 635 Ca -0.05 0.14 -0.07 0.00 1.68 0.00 0.00 54.58 56.28 1ja1 n ASN 635 Cb 0.29 -0.32 -0.01 0.00 -1.54 0.00 0.00 39.78 38.20 1ja1 n ASN 635 CO 0.00 0.00 0.00 -0.03 0.28 0.00 0.00 177.26 177.51 1ja1 h MET 636 N -0.18 0.08 -0.96 3.52 4.05 -1.84 -0.73 114.93 118.86 1ja1 h MET 636 Ca -0.04 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1ja1 h MET 636 Cb 0.50 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.23 1ja1 h MET 636 CO -0.03 0.05 0.63 0.00 0.23 0.00 0.00 176.91 177.80 1ja1 h ALA 637 N 1.24 1.26 -0.31 0.39 0.00 -1.41 -0.40 119.26 120.04 1ja1 h ALA 637 Ca 0.13 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1ja1 h ALA 637 Cb 0.17 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ja1 h ALA 637 CO -0.22 0.54 -0.38 0.87 0.00 0.00 0.00 179.25 180.05 1ja1 h LYS 638 N 1.24 0.81 -0.71 0.00 1.57 -1.64 -1.38 116.57 116.46 1ja1 h LYS 638 Ca 0.38 -0.45 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1ja1 h LYS 638 Cb -0.04 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1ja1 h LYS 638 CO -0.11 1.09 0.28 -0.44 -0.57 0.00 0.00 179.45 179.69 1ja1 h ASP 639 N 0.58 0.99 -0.56 0.86 3.32 -0.77 -0.40 116.42 120.43 1ja1 h ASP 639 Ca 0.04 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1ja1 h ASP 639 Cb 0.98 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 1ja1 h ASP 639 CO 0.09 0.89 0.19 0.58 -1.72 0.00 0.00 179.24 179.28 1ja1 h VAL 640 N 1.02 1.23 -0.40 -1.35 2.07 -1.03 -0.71 116.25 117.09 1ja1 h VAL 640 Ca 0.24 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1ja1 h VAL 640 Cb 0.22 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1ja1 h VAL 640 CO -0.02 0.29 0.26 -0.61 0.02 0.00 0.00 177.57 177.51 1ja1 h GLN 641 N 0.78 0.52 -0.62 1.57 4.15 -0.90 -1.15 115.11 119.45 1ja1 h GLN 641 Ca 0.18 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1ja1 h GLN 641 Cb 0.25 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 1ja1 h GLN 641 CO -0.01 0.34 0.35 -0.91 -1.93 0.00 0.00 178.83 176.68 1ja1 h ASN 642 N 0.53 0.75 -0.59 -0.69 2.35 -0.69 -0.48 115.58 116.75 1ja1 h ASN 642 Ca 0.15 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1ja1 h ASN 642 Cb -0.06 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1ja1 h ASN 642 CO -0.04 0.59 0.07 0.74 -1.65 0.00 0.00 177.43 177.14 1ja1 h THR 643 N 0.85 1.26 -0.50 2.81 2.02 -0.42 -1.11 112.91 117.82 1ja1 h THR 643 Ca 0.22 -1.03 -0.08 0.00 0.77 0.00 0.00 66.41 66.28 1ja1 h THR 643 Cb -0.00 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1ja1 h THR 643 CO -0.04 0.38 -0.03 -0.26 0.37 0.00 0.00 175.52 175.94 1ja1 h PHE 644 N 0.89 0.93 -0.18 3.16 -1.00 -0.45 -0.53 116.94 119.77 1ja1 h PHE 644 Ca 0.18 -0.15 0.04 0.00 2.81 0.00 0.00 57.97 60.85 1ja1 h PHE 644 Cb 0.46 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 1ja1 h PHE 644 CO 0.03 0.86 -0.07 1.88 -1.61 0.00 0.00 178.31 179.40 1ja1 h TYR 645 N 0.80 -0.17 -0.73 -0.55 0.99 -0.72 -0.94 116.97 115.65 1ja1 h TYR 645 Ca 0.15 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.94 1ja1 h TYR 645 Cb 0.51 0.10 -0.05 0.00 1.00 0.00 0.00 36.73 38.30 1ja1 h TYR 645 CO 0.03 -0.12 0.45 0.22 -0.00 0.00 0.00 178.16 178.74 1ja1 h ASP 646 N -0.05 0.72 -0.22 3.88 1.82 -0.72 0.14 116.42 121.99 1ja1 h ASP 646 Ca 0.09 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1ja1 h ASP 646 Cb 0.19 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1ja1 h ASP 646 CO -0.21 0.48 0.09 0.40 -1.61 0.00 0.00 179.24 178.39 1ja1 h ILE 647 N 0.85 1.17 -0.69 2.25 2.04 -0.56 0.06 117.51 122.63 1ja1 h ILE 647 Ca 0.30 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1ja1 h ILE 647 Cb 0.07 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1ja1 h ILE 647 CO -0.13 0.16 0.27 0.58 0.00 0.00 0.00 178.15 179.03 1ja1 h VAL 648 N 0.20 1.25 -0.44 1.67 2.07 -0.90 -1.77 116.25 118.32 1ja1 h VAL 648 Ca 0.07 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1ja1 h VAL 648 Cb 0.18 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1ja1 h VAL 648 CO -0.01 0.31 0.26 0.00 0.02 0.00 0.00 177.57 178.15 1ja1 h ALA 649 N 1.12 0.56 0.13 1.67 0.00 -0.53 0.10 119.26 122.32 1ja1 h ALA 649 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ja1 h ALA 649 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ja1 h ALA 649 CO -0.02 0.07 -0.06 1.49 0.00 0.00 0.00 179.25 180.73 1ja1 h GLU 650 N 0.58 -0.16 -0.00 0.00 4.81 -0.63 -2.43 114.58 116.75 1ja1 h GLU 650 Ca 0.16 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1ja1 h GLU 650 Cb 0.02 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ja1 h GLU 650 CO -0.03 0.08 -0.31 1.19 -0.73 0.00 0.00 179.01 179.21 1ja1 n PHE 651 N -5.06 0.00 0.00 0.92 3.01 -0.70 -4.47 117.46 111.16 1ja1 n PHE 651 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1ja1 n PHE 651 Cb 0.18 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1ja1 n PHE 651 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ja1 n GLY 652 N 1.44 -2.98 3.83 1.37 0.00 0.35 -4.94 105.19 104.25 1ja1 n GLY 652 Ca 0.08 0.39 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 1ja1 n GLY 652 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ja1 s PRO 653 N -2.60 4.17 0.21 1.61 0.04 -1.26 -5.12 135.00 132.05 1ja1 s PRO 653 Ca 0.00 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 61.61 1ja1 s PRO 653 Cb 0.00 -2.76 0.05 0.00 0.04 0.00 0.00 34.50 31.83 1ja1 s PRO 653 CO 0.00 0.34 0.65 0.00 0.04 0.00 0.00 177.00 178.02 1ja1 s MET 654 N -2.25 1.49 0.83 4.56 0.23 -0.91 -5.06 119.30 118.19 1ja1 s MET 654 Ca 0.46 -0.69 -0.11 0.00 -1.03 0.00 0.00 55.69 54.32 1ja1 s MET 654 Cb -0.15 0.60 0.09 0.00 -1.53 0.00 0.00 34.83 33.84 1ja1 s MET 654 CO 0.20 -0.66 1.09 -1.21 -2.03 0.00 0.00 175.02 172.41 1ja1 s GLU 655 N -3.82 1.79 0.09 3.16 0.41 -1.26 -4.62 118.70 114.45 1ja1 s GLU 655 Ca 0.05 0.87 -0.34 0.00 -0.41 0.00 0.00 54.97 55.14 1ja1 s GLU 655 Cb -0.03 -1.87 -0.15 0.00 -1.78 0.00 0.00 34.13 30.30 1ja1 s GLU 655 CO -0.05 -1.88 1.53 1.25 -0.49 0.00 0.00 175.26 175.62 1ja1 h HIS 656 N -1.29 -1.44 -1.02 1.61 -0.00 -1.95 0.15 115.15 111.20 1ja1 h HIS 656 Ca -0.47 0.03 0.26 0.00 -0.00 0.00 0.00 60.37 60.19 1ja1 h HIS 656 Cb 1.26 0.60 -0.09 0.00 -0.00 0.00 0.00 27.41 29.18 1ja1 h HIS 656 CO 0.48 -0.60 0.66 1.79 -0.00 0.00 0.00 177.93 180.26 1ja1 h THR 657 N -0.81 0.55 -0.14 6.26 1.35 -1.99 0.62 112.91 118.75 1ja1 h THR 657 Ca -0.02 -0.14 -0.15 0.00 -0.55 0.00 0.00 66.41 65.55 1ja1 h THR 657 Cb 0.77 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 1ja1 h THR 657 CO -0.21 0.07 -0.55 1.56 -0.25 0.00 0.00 175.52 176.14 1ja1 h GLN 658 N 0.40 0.43 -0.43 4.72 4.20 -1.67 -1.93 115.11 120.84 1ja1 h GLN 658 Ca 0.58 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.88 1ja1 h GLN 658 Cb 1.46 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1ja1 h GLN 658 CO -0.28 0.87 -0.25 0.00 -0.67 0.00 0.00 178.83 178.50 1ja1 h ALA 659 N 1.07 0.74 -0.62 3.87 0.00 0.21 -1.30 119.26 123.23 1ja1 h ALA 659 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1ja1 h ALA 659 Cb 1.07 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1ja1 h ALA 659 CO 0.10 0.66 0.39 0.28 0.00 0.00 0.00 179.25 180.68 1ja1 h VAL 660 N 0.76 1.11 -0.46 0.00 2.07 -0.52 -1.27 116.25 117.93 1ja1 h VAL 660 Ca 0.09 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1ja1 h VAL 660 Cb 0.81 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1ja1 h VAL 660 CO 0.07 0.14 -0.09 0.44 0.02 0.00 0.00 177.57 178.16 1ja1 h ASP 661 N 0.79 0.82 -0.78 0.57 3.45 -1.14 0.17 116.42 120.29 1ja1 h ASP 661 Ca 0.24 -0.24 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 1ja1 h ASP 661 Cb -0.03 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.49 1ja1 h ASP 661 CO -0.08 0.93 0.33 0.22 -1.57 0.00 0.00 179.24 179.07 1ja1 h TYR 662 N 0.75 1.16 -0.18 4.55 5.03 -0.63 0.31 116.97 127.97 1ja1 h TYR 662 Ca 0.13 -0.08 -0.20 0.00 2.58 0.00 0.00 58.73 61.16 1ja1 h TYR 662 Cb 0.58 -0.35 0.00 0.00 1.55 0.00 0.00 36.73 38.51 1ja1 h TYR 662 CO 0.03 0.87 -0.69 0.28 -1.32 0.00 0.00 178.16 177.33 1ja1 h VAL 663 N 1.11 1.30 -0.95 1.81 2.07 -1.04 -2.30 116.25 118.25 1ja1 h VAL 663 Ca 0.26 -1.92 0.08 0.00 0.82 0.00 0.00 66.70 65.94 1ja1 h VAL 663 Cb 0.18 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1ja1 h VAL 663 CO -0.03 0.61 0.60 0.11 0.02 0.00 0.00 177.57 178.88 1ja1 h LYS 664 N 0.52 1.03 -0.42 1.57 6.56 -0.46 -1.23 116.57 124.14 1ja1 h LYS 664 Ca -0.03 -0.06 -0.12 0.00 -1.06 0.00 0.00 60.65 59.38 1ja1 h LYS 664 Cb 1.29 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 32.71 1ja1 h LYS 664 CO 0.14 0.68 -0.23 -0.22 -2.06 0.00 0.00 179.45 177.76 1ja1 h LYS 665 N 1.06 0.85 -0.90 3.15 3.64 -0.80 -2.60 116.57 120.97 1ja1 h LYS 665 Ca 0.43 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1ja1 h LYS 665 Cb 0.24 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1ja1 h LYS 665 CO -0.20 0.99 0.55 -0.07 -2.27 0.00 0.00 179.45 178.45 1ja1 h LEU 666 N 0.74 1.08 -0.55 5.20 3.38 -0.67 -2.01 115.31 122.46 1ja1 h LEU 666 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ja1 h LEU 666 Cb 0.76 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1ja1 h LEU 666 CO 0.06 0.83 0.32 0.24 0.09 0.00 0.00 178.44 179.98 1ja1 h MET 667 N 1.24 0.76 0.00 1.13 2.86 -1.06 0.18 114.93 120.03 1ja1 h MET 667 Ca 0.32 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1ja1 h MET 667 Cb -0.06 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1ja1 h MET 667 CO -0.06 0.57 -0.23 1.79 1.06 0.00 0.00 176.91 180.03 1ja1 h THR 668 N 0.74 0.94 -0.14 2.22 1.35 -1.11 -1.76 112.91 115.16 1ja1 h THR 668 Ca 0.20 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1ja1 h THR 668 Cb 0.01 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1ja1 h THR 668 CO -0.03 0.23 0.00 0.29 -0.25 0.00 0.00 175.52 175.75 1ja1 n LYS 669 N -3.94 1.59 -1.20 4.72 5.02 -0.79 -4.90 118.16 118.66 1ja1 n LYS 669 Ca -0.02 -0.89 -0.07 0.00 -2.02 0.00 0.00 58.31 55.31 1ja1 n LYS 669 Cb 0.31 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1ja1 n LYS 669 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ja1 n GLY 670 N 1.05 0.91 0.89 0.72 0.00 -0.66 -4.91 105.19 103.19 1ja1 n GLY 670 Ca 0.15 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.65 1ja1 n GLY 670 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ja1 n ARG 671 N -2.66 2.06 -3.55 1.61 1.74 0.56 -4.71 116.66 111.71 1ja1 n ARG 671 Ca -0.07 -1.83 -0.28 0.00 -0.77 0.00 0.00 57.85 54.90 1ja1 n ARG 671 Cb 0.25 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 1ja1 n ARG 671 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ja1 s TYR 672 N -1.79 0.27 0.13 -1.55 5.04 -1.17 0.75 117.35 119.02 1ja1 s TYR 672 Ca 0.26 -0.76 0.09 0.00 -2.44 0.00 0.00 57.07 54.23 1ja1 s TYR 672 Cb 0.18 -0.85 -0.04 0.00 0.35 0.00 0.00 41.96 41.61 1ja1 s TYR 672 CO 0.27 -0.78 -0.19 -1.12 -1.34 0.00 0.00 175.55 172.39 1ja1 s SER 673 N 2.12 3.78 0.05 4.32 0.01 0.71 -4.34 113.70 120.34 1ja1 s SER 673 Ca 0.08 -0.62 0.08 0.00 1.31 0.00 0.00 55.95 56.80 1ja1 s SER 673 Cb -0.16 -0.48 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 1ja1 s SER 673 CO -0.32 0.17 -0.23 -0.76 0.41 0.00 0.00 173.24 172.51 1ja1 s LEU 674 N -2.21 2.17 -0.41 2.44 1.02 -1.26 -1.19 118.68 119.25 1ja1 s LEU 674 Ca 0.18 -0.55 0.07 0.00 0.02 0.00 0.00 54.13 53.85 1ja1 s LEU 674 Cb -0.10 -1.08 0.23 0.00 0.02 0.00 0.00 46.19 45.26 1ja1 s LEU 674 CO 0.10 0.19 0.52 -3.20 0.02 0.00 0.00 176.35 173.97 1ja1 n ASN 675 N 1.79 -0.31 -4.61 2.29 2.85 -0.14 -4.89 115.26 112.24 1ja1 n ASN 675 Ca -0.17 -2.68 -0.25 0.00 -0.11 0.00 0.00 54.58 51.37 1ja1 n ASN 675 Cb 0.53 -0.36 -0.09 0.00 1.24 0.00 0.00 39.78 41.09 1ja1 n ASN 675 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1ja1 s VAL 676 N -0.71 2.40 0.30 3.44 -7.23 -1.26 -2.19 120.40 115.14 1ja1 s VAL 676 Ca 0.34 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 1ja1 s VAL 676 Cb 0.14 -2.79 0.03 0.00 0.56 0.00 0.00 36.38 34.33 1ja1 s VAL 676 CO -0.14 -0.16 0.75 -1.66 -0.31 0.00 0.00 175.10 173.58 1ja1 s TRP 677 N -2.58 -0.12 0.00 2.82 -2.14 -0.43 -4.86 118.94 111.63 1ja1 s TRP 677 Ca 0.34 -0.38 0.00 0.00 2.66 0.00 0.00 56.10 58.72 1ja1 s TRP 677 Cb 0.02 0.74 0.00 0.00 -3.10 0.00 0.00 33.47 31.13 1ja1 s TRP 677 CO 0.18 -1.29 0.43 0.43 -2.66 0.00 0.00 176.95 174.05