#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ja1 s VAL 64 N 0.00 5.24 0.49 0.52 1.01 -1.26 -5.06 120.40 121.34 1ja1 s VAL 64 Ca 0.00 0.76 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 1ja1 s VAL 64 Cb 0.00 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 1ja1 s VAL 64 CO 0.00 0.34 1.06 -0.54 0.00 0.00 0.00 175.10 175.96 1ja1 s LYS 65 N 0.66 3.77 0.72 2.72 -0.14 -1.26 -4.95 119.74 121.26 1ja1 s LYS 65 Ca 0.21 1.43 -0.12 0.00 -1.36 0.00 0.00 55.97 56.13 1ja1 s LYS 65 Cb -0.14 -2.13 0.03 0.00 -1.68 0.00 0.00 37.83 33.90 1ja1 s LYS 65 CO 0.07 -0.47 1.11 -1.21 -0.76 0.00 0.00 175.35 174.09 1ja1 s GLU 66 N -3.16 2.71 0.78 1.68 0.41 0.13 -5.01 118.70 116.25 1ja1 s GLU 66 Ca 0.67 0.42 -0.11 0.00 -0.41 0.00 0.00 54.97 55.53 1ja1 s GLU 66 Cb -0.18 -2.01 0.06 0.00 -1.78 0.00 0.00 34.13 30.22 1ja1 s GLU 66 CO 0.22 -1.13 1.09 -1.54 -0.49 0.00 0.00 175.26 173.41 1ja1 s SER 67 N -4.38 4.64 -0.20 -0.19 1.04 -1.26 -4.73 113.70 108.62 1ja1 s SER 67 Ca 0.59 1.33 -0.19 0.00 0.48 0.00 0.00 55.95 58.16 1ja1 s SER 67 Cb -0.11 -2.08 -0.08 0.00 0.10 0.00 0.00 66.02 63.84 1ja1 s SER 67 CO 0.51 -1.88 0.65 -0.24 0.98 0.00 0.00 173.24 173.26 1ja1 n SER 68 N -3.38 0.47 0.19 7.02 2.88 -1.26 -4.84 113.62 114.71 1ja1 n SER 68 Ca 0.07 0.49 0.05 0.00 -1.33 0.00 0.00 58.87 58.15 1ja1 n SER 68 Cb 0.56 -0.36 0.38 0.00 -0.75 0.00 0.00 64.21 64.04 1ja1 n SER 68 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1ja1 h PHE 69 N 2.01 0.00 -0.47 0.66 -0.00 -1.90 -2.47 116.94 114.77 1ja1 h PHE 69 Ca -0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.74 1ja1 h PHE 69 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.49 1ja1 h PHE 69 CO 0.26 0.36 0.08 0.28 -0.00 0.00 0.00 178.31 179.30 1ja1 h VAL 70 N 0.00 1.24 -0.59 0.88 2.07 -1.88 -1.31 116.25 116.66 1ja1 h VAL 70 Ca -0.00 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1ja1 h VAL 70 Cb 0.77 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1ja1 h VAL 70 CO 0.05 0.31 0.03 -0.33 0.02 0.00 0.00 177.57 177.65 1ja1 h GLU 71 N 0.64 1.01 -0.54 1.57 4.39 -1.86 -0.89 114.58 118.91 1ja1 h GLU 71 Ca 0.14 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1ja1 h GLU 71 Cb 0.37 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1ja1 h GLU 71 CO 0.01 0.98 0.35 0.87 -1.16 0.00 0.00 179.01 180.05 1ja1 h LYS 72 N 0.94 0.69 -0.61 2.33 1.57 -1.18 0.18 116.57 120.49 1ja1 h LYS 72 Ca 0.17 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1ja1 h LYS 72 Cb 0.51 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1ja1 h LYS 72 CO 0.02 0.46 0.40 0.52 -0.57 0.00 0.00 179.45 180.28 1ja1 h MET 73 N 0.71 0.79 0.33 3.15 2.86 -0.89 0.15 114.93 122.03 1ja1 h MET 73 Ca 0.20 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1ja1 h MET 73 Cb -0.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.42 1ja1 h MET 73 CO -0.05 0.52 -0.16 0.87 1.06 0.00 0.00 176.91 179.15 1ja1 h LYS 74 N 0.81 -0.42 0.00 1.72 1.57 -0.63 0.60 116.57 120.21 1ja1 h LYS 74 Ca 0.23 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1ja1 h LYS 74 Cb -0.08 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1ja1 h LYS 74 CO -0.06 -0.28 -0.03 0.87 -0.57 0.00 0.00 179.45 179.39 1ja1 h LYS 75 N -0.45 0.00 -0.34 3.15 1.79 -0.66 -2.87 116.57 117.18 1ja1 h LYS 75 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1ja1 h LYS 75 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1ja1 h LYS 75 CO 0.07 0.03 0.00 0.25 -1.08 0.00 0.00 179.45 178.73 1ja1 n THR 76 N -3.69 1.19 -2.17 -0.16 -2.24 0.01 -4.99 114.28 102.25 1ja1 n THR 76 Ca -0.03 -1.13 -0.15 0.00 -2.27 0.00 0.00 64.05 60.48 1ja1 n THR 76 Cb 0.12 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 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 0.39 -0.01 3.86 3.38 0.00 -0.30 -5.01 105.19 107.51 1ja1 n GLY 77 Ca 0.13 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.54 3.64 -0.01 1.61 0.52 0.05 -4.62 118.95 115.60 1ja1 s ARG 78 Ca 0.00 0.08 0.07 0.00 -0.52 0.00 0.00 55.73 55.36 1ja1 s ARG 78 Cb 0.00 -3.21 -0.10 0.00 0.52 0.00 0.00 34.95 32.16 1ja1 s ARG 78 CO 0.00 0.73 0.21 0.27 0.02 0.00 0.00 175.30 176.53 1ja1 n ASN 79 N 1.96 2.23 -4.15 0.23 6.94 -0.61 -4.48 115.26 117.38 1ja1 n ASN 79 Ca -0.18 -0.25 -0.25 0.00 -0.02 0.00 0.00 54.58 53.89 1ja1 n ASN 79 Cb 0.54 1.21 -0.16 0.00 -2.36 0.00 0.00 39.78 39.01 1ja1 n ASN 79 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1ja1 s ILE 80 N -2.20 1.39 -0.03 1.53 2.07 -1.09 -1.39 121.20 121.48 1ja1 s ILE 80 Ca -0.01 -0.73 0.04 0.00 -1.41 0.00 0.00 60.65 58.54 1ja1 s ILE 80 Cb 0.05 -1.17 -0.00 0.00 0.13 0.00 0.00 42.46 41.46 1ja1 s ILE 80 CO 0.30 0.40 -0.15 -0.51 -1.91 0.00 0.00 174.94 173.07 1ja1 s ILE 81 N -0.25 1.22 -0.19 2.00 2.07 -1.01 -2.13 121.20 122.91 1ja1 s ILE 81 Ca 0.03 -0.61 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 1ja1 s ILE 81 Cb -0.08 -1.05 0.03 0.00 0.13 0.00 0.00 42.46 41.49 1ja1 s ILE 81 CO 0.00 0.36 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.54 1ja1 s VAL 82 N 0.01 1.88 0.07 4.00 1.01 -0.08 -1.35 120.40 125.94 1ja1 s VAL 82 Ca -0.02 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 1ja1 s VAL 82 Cb -0.10 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1ja1 s VAL 82 CO 0.01 0.37 0.37 -0.36 0.00 0.00 0.00 175.10 175.50 1ja1 s PHE 83 N 1.33 3.58 -0.07 5.22 0.08 0.20 -0.44 117.98 127.88 1ja1 s PHE 83 Ca 0.02 0.74 0.03 0.00 0.12 0.00 0.00 56.93 57.84 1ja1 s PHE 83 Cb -0.15 -2.12 0.01 0.00 -0.57 0.00 0.00 43.02 40.19 1ja1 s PHE 83 CO -0.10 0.54 -0.17 1.52 -0.10 0.00 0.00 175.22 176.90 1ja1 s TYR 84 N -1.38 1.88 -0.68 0.36 1.13 -1.00 -0.16 117.35 117.49 1ja1 s TYR 84 Ca 0.32 -0.69 -0.07 0.00 -1.41 0.00 0.00 57.07 55.22 1ja1 s TYR 84 Cb -0.14 -1.30 0.18 0.00 -1.10 0.00 0.00 41.96 39.60 1ja1 s TYR 84 CO 0.18 -0.30 0.55 0.20 -2.51 0.00 0.00 175.55 173.67 1ja1 s GLY 85 N 0.42 2.53 0.05 5.49 0.00 -0.27 -4.37 107.32 111.17 1ja1 s GLY 85 Ca -0.14 -3.23 0.07 0.00 0.00 0.00 0.00 44.72 41.42 1ja1 s GLY 85 CO 0.05 1.16 -0.21 -0.45 0.00 0.00 0.00 173.10 173.65 1ja1 s SER 86 N 1.33 2.46 -0.09 1.64 0.15 -1.26 -1.26 113.70 116.66 1ja1 s SER 86 Ca 0.16 -0.53 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 1ja1 s SER 86 Cb -0.17 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.90 1ja1 s SER 86 CO -0.05 0.15 -0.11 1.67 1.20 0.00 0.00 173.24 176.10 1ja1 n GLN 87 N 1.79 0.20 -0.68 5.44 7.27 -1.26 -4.70 117.38 125.43 1ja1 n GLN 87 Ca -0.17 0.08 0.02 0.00 0.07 0.00 0.00 57.00 56.99 1ja1 n GLN 87 Cb 0.53 -0.92 0.26 0.00 2.41 0.00 0.00 30.24 32.52 1ja1 n GLN 87 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1ja1 n THR 88 N -3.26 2.52 -0.70 1.69 -2.24 -1.26 -4.96 114.28 106.07 1ja1 n THR 88 Ca -0.18 -2.04 0.00 0.00 -2.27 0.00 0.00 64.05 59.56 1ja1 n THR 88 Cb 0.64 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.58 1.42 0.06 3.38 0.00 -1.26 -4.94 105.19 103.26 1ja1 n GLY 89 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 1.24 -0.20 2.61 2.02 -1.95 -1.92 112.91 114.71 1ja1 h THR 90 Ca 0.00 -0.71 -0.13 0.00 0.77 0.00 0.00 66.41 66.34 1ja1 h THR 90 Cb 0.00 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1ja1 h THR 90 CO 0.00 0.19 -0.44 0.00 0.37 0.00 0.00 175.52 175.64 1ja1 h ALA 91 N 0.72 0.88 -0.69 6.16 0.00 -1.88 -2.62 119.26 121.82 1ja1 h ALA 91 Ca 0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ja1 h ALA 91 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ja1 h ALA 91 CO 0.00 0.65 0.36 1.49 0.00 0.00 0.00 179.25 181.74 1ja1 h GLU 92 N 0.39 0.98 -0.28 0.00 4.81 -1.85 -1.21 114.58 117.41 1ja1 h GLU 92 Ca 0.03 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 1ja1 h GLU 92 Cb 0.93 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1ja1 h GLU 92 CO 0.08 0.75 -0.37 1.49 -0.73 0.00 0.00 179.01 180.23 1ja1 h GLU 93 N 0.95 0.63 -0.54 1.92 4.57 -1.24 -2.23 114.58 118.64 1ja1 h GLU 93 Ca 0.24 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 58.03 1ja1 h GLU 93 Cb 0.08 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1ja1 h GLU 93 CO -0.03 0.90 0.01 0.74 -1.18 0.00 0.00 179.01 179.45 1ja1 h PHE 94 N 0.53 0.98 -0.39 0.92 0.04 -1.18 -1.66 116.94 116.18 1ja1 h PHE 94 Ca 0.05 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 1ja1 h PHE 94 Cb 0.88 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.74 1ja1 h PHE 94 CO 0.04 0.88 0.21 0.00 -0.60 0.00 0.00 178.31 178.84 1ja1 h ALA 95 N 1.16 0.50 -0.51 2.45 0.00 -0.91 -0.93 119.26 121.02 1ja1 h ALA 95 Ca 0.16 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1ja1 h ALA 95 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1ja1 h ALA 95 CO 0.02 0.04 0.08 -0.91 0.00 0.00 0.00 179.25 178.48 1ja1 h ASN 96 N 0.50 0.75 -0.33 0.00 2.35 -1.17 0.92 115.58 118.60 1ja1 h ASN 96 Ca 0.14 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1ja1 h ASN 96 Cb 0.07 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1ja1 h ASN 96 CO -0.02 0.77 0.12 0.03 -1.65 0.00 0.00 177.43 176.68 1ja1 h ARG 97 N 0.76 0.51 -0.58 0.81 3.08 -0.92 -0.00 114.38 118.04 1ja1 h ARG 97 Ca 0.16 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 1ja1 h ARG 97 Cb 0.35 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1ja1 h ARG 97 CO 0.01 0.53 0.13 -0.07 -1.07 0.00 0.00 179.97 179.49 1ja1 h LEU 98 N 0.39 0.89 -0.67 3.04 3.38 -0.75 -0.56 115.31 121.02 1ja1 h LEU 98 Ca 0.11 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ja1 h LEU 98 Cb 0.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1ja1 h LEU 98 CO -0.01 0.90 0.41 -1.28 0.09 0.00 0.00 178.44 178.55 1ja1 h SER 99 N 0.84 0.81 0.07 -0.43 0.87 -0.62 -2.18 113.55 112.90 1ja1 h SER 99 Ca 0.18 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1ja1 h SER 99 Cb 0.36 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1ja1 h SER 99 CO 0.00 0.63 -0.35 0.11 -0.53 0.00 0.00 176.83 176.70 1ja1 h LYS 100 N 0.92 0.39 -0.99 2.24 1.57 -0.74 -3.07 116.57 116.89 1ja1 h LYS 100 Ca 0.24 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1ja1 h LYS 100 Cb -0.03 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 1ja1 h LYS 100 CO -0.05 0.69 0.64 -0.44 -0.57 0.00 0.00 179.45 179.72 1ja1 h ASP 101 N 0.33 1.02 -0.97 0.86 3.45 -0.46 -3.03 116.42 117.62 1ja1 h ASP 101 Ca 0.04 0.01 0.32 0.00 0.43 0.00 0.00 57.03 57.83 1ja1 h ASP 101 Cb 0.77 -0.20 -0.17 0.00 -0.56 0.00 0.00 39.33 39.17 1ja1 h ASP 101 CO 0.06 0.64 0.33 0.00 -1.57 0.00 0.00 179.24 178.71 1ja1 h ALA 102 N 1.45 1.66 -0.63 3.45 0.00 -1.40 0.31 119.26 124.12 1ja1 h ALA 102 Ca 0.43 0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.71 1ja1 h ALA 102 Cb 0.18 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1ja1 h ALA 102 CO -0.18 -0.68 0.42 1.25 0.00 0.00 0.00 179.25 180.06 1ja1 h HIS 103 N 0.10 0.46 0.00 0.00 -0.00 -1.46 0.04 115.15 114.29 1ja1 h HIS 103 Ca 0.70 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 61.08 1ja1 h HIS 103 Cb 1.63 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.89 1ja1 h HIS 103 CO -0.21 0.21 0.00 0.54 -0.00 0.00 0.00 177.93 178.48 1ja1 n ARG 104 N -4.47 0.67 -0.97 5.26 1.74 0.11 -3.29 116.66 115.71 1ja1 n ARG 104 Ca 0.10 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.23 1ja1 n ARG 104 Cb 0.38 -1.42 0.09 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.92 0.00 -0.96 -1.55 4.01 -0.04 -2.81 117.16 114.89 1ja1 n TYR 105 Ca 0.14 -0.80 0.00 0.00 -0.16 0.00 0.00 57.90 57.07 1ja1 n TYR 105 Cb 0.06 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 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 -0.24 0.57 2.68 2.72 0.00 -1.21 -4.49 105.19 105.22 1ja1 n GLY 106 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1ja1 n GLY 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ja1 n MET 107 N -2.12 0.99 -3.71 1.61 2.81 -0.94 -5.03 117.12 110.74 1ja1 n MET 107 Ca 0.00 -2.54 -0.11 0.00 -1.81 0.00 0.00 57.70 53.24 1ja1 n MET 107 Cb 0.06 0.44 -0.12 0.00 -0.71 0.00 0.00 33.22 32.89 1ja1 n MET 107 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1ja1 s ARG 108 N -3.50 0.31 0.39 0.03 3.52 -1.26 -3.09 118.95 115.35 1ja1 s ARG 108 Ca 0.14 0.65 0.03 0.00 -0.13 0.00 0.00 55.73 56.41 1ja1 s ARG 108 Cb -0.01 -0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.31 1ja1 s ARG 108 CO 0.09 -0.15 0.10 0.41 -0.81 0.00 0.00 175.30 174.93 1ja1 n GLY 109 N 4.16 3.41 3.25 8.12 0.00 -1.25 -1.57 105.19 121.31 1ja1 n GLY 109 Ca -0.24 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.49 1ja1 n GLY 109 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ja1 s MET 110 N -3.45 0.65 0.09 1.61 0.23 -0.90 -4.89 119.30 112.64 1ja1 s MET 110 Ca 0.14 -0.07 0.03 0.00 -1.03 0.00 0.00 55.69 54.75 1ja1 s MET 110 Cb 0.01 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 1ja1 s MET 110 CO 0.10 -0.17 0.12 -1.54 -2.03 0.00 0.00 175.02 171.50 1ja1 s SER 111 N -1.11 5.71 -0.03 -1.18 1.04 -1.26 -0.90 113.70 115.98 1ja1 s SER 111 Ca -0.12 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.17 1ja1 s SER 111 Cb -0.05 -1.58 0.03 0.00 0.10 0.00 0.00 66.02 64.52 1ja1 s SER 111 CO 0.04 0.15 0.37 0.00 0.98 0.00 0.00 173.24 174.78 1ja1 s ALA 112 N -1.48 -0.95 -0.31 5.32 0.00 0.42 -4.88 121.76 119.88 1ja1 s ALA 112 Ca 0.31 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 1ja1 s ALA 112 Cb -0.12 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1ja1 s ALA 112 CO 0.24 -0.27 0.76 0.34 0.00 0.00 0.00 175.76 176.82 1ja1 s ASP 113 N -1.23 6.61 0.58 0.00 -1.08 -1.26 -2.37 116.67 117.92 1ja1 s ASP 113 Ca -0.13 0.57 0.27 0.00 -0.52 0.00 0.00 52.55 52.75 1ja1 s ASP 113 Cb -0.04 -2.39 1.62 0.00 -1.46 0.00 0.00 42.92 40.65 1ja1 s ASP 113 CO 0.05 -0.60 2.11 1.55 0.52 0.00 0.00 175.17 178.79 1ja1 h PRO 114 N 8.18 0.00 0.00 4.34 0.13 -1.81 -1.81 132.00 141.03 1ja1 h PRO 114 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1ja1 h PRO 114 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1ja1 h PRO 114 CO 0.87 0.00 -0.19 1.49 -0.23 0.00 0.00 178.00 179.94 1ja1 h GLU 115 N 0.00 0.00 -0.05 0.86 4.81 -1.90 -2.25 114.58 116.05 1ja1 h GLU 115 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ja1 h GLU 115 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1ja1 h GLU 115 CO -0.00 0.19 0.00 0.39 -0.73 0.00 0.00 179.01 178.86 1ja1 n GLU 116 N -3.66 1.46 -4.30 1.92 1.02 -0.68 -4.87 120.64 111.52 1ja1 n GLU 116 Ca -0.01 -0.67 -0.16 0.00 -0.02 0.00 0.00 57.16 56.30 1ja1 n GLU 116 Cb 0.31 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 1ja1 n GLU 116 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ja1 s TYR 117 N -1.94 1.48 -0.39 -0.32 1.51 -0.85 0.22 117.35 117.05 1ja1 s TYR 117 Ca 0.37 -1.18 -0.10 0.00 -1.01 0.00 0.00 57.07 55.15 1ja1 s TYR 117 Cb 0.19 -0.85 0.05 0.00 -0.11 0.00 0.00 41.96 41.24 1ja1 s TYR 117 CO 0.31 -0.34 0.23 0.34 -1.11 0.00 0.00 175.55 174.97 1ja1 s ASP 118 N -3.29 5.69 0.00 2.29 2.15 -1.26 -4.95 116.67 117.30 1ja1 s ASP 118 Ca 0.36 -1.23 0.14 0.00 0.43 0.00 0.00 52.55 52.25 1ja1 s ASP 118 Cb 0.08 -2.01 0.70 0.00 -0.30 0.00 0.00 42.92 41.39 1ja1 s ASP 118 CO 0.12 -0.46 1.35 0.18 -0.17 0.00 0.00 175.17 176.19 1ja1 n LEU 119 N 4.96 0.00 0.29 -1.34 7.99 -1.26 -2.06 117.00 125.58 1ja1 n LEU 119 Ca -0.11 0.26 0.16 0.00 -0.01 0.00 0.00 56.01 56.31 1ja1 n LEU 119 Cb 0.44 -0.26 0.85 0.00 -0.11 0.00 0.00 43.42 44.34 1ja1 n LEU 119 CO 0.38 -0.14 1.04 0.00 -1.51 0.00 0.00 177.39 177.15 1ja1 h ALA 120 N 2.66 1.15 0.00 -1.18 0.00 -2.00 -1.00 119.26 118.88 1ja1 h ALA 120 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ja1 h ALA 120 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ja1 h ALA 120 CO 0.00 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 1ja1 n ASP 121 N -3.37 0.00 0.16 0.00 8.00 -0.88 -2.42 116.55 118.05 1ja1 n ASP 121 Ca -0.02 -0.12 0.15 0.00 0.71 0.00 0.00 54.79 55.51 1ja1 n ASP 121 Cb 0.21 -0.18 0.72 0.00 -0.02 0.00 0.00 41.12 41.84 1ja1 n ASP 121 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1ja1 h LEU 122 N 0.00 0.00 -2.54 0.64 3.38 -1.42 0.65 115.31 116.02 1ja1 h LEU 122 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ja1 h LEU 122 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ja1 h LEU 122 CO 0.00 0.00 -0.02 -1.28 0.09 0.00 0.00 178.44 177.23 1ja1 h SER 123 N 0.00 0.00 0.29 -0.43 0.87 -1.72 -1.31 113.55 111.26 1ja1 h SER 123 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ja1 h SER 123 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ja1 h SER 123 CO -0.00 0.02 -0.68 -1.20 -0.53 0.00 0.00 176.83 174.44 1ja1 n SER 124 N -3.55 0.74 -0.25 6.23 7.64 0.22 -4.34 113.62 120.31 1ja1 n SER 124 Ca -0.03 -0.58 0.11 0.00 1.01 0.00 0.00 58.87 59.38 1ja1 n SER 124 Cb 0.10 0.53 0.38 0.00 -1.01 0.00 0.00 64.21 64.22 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 0.10 0.64 -0.71 -3.43 5.85 -1.21 -1.15 115.31 115.39 1ja1 h LEU 125 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1ja1 h LEU 125 Cb 0.51 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1ja1 h LEU 125 CO 0.00 0.34 0.00 -2.65 -0.34 0.00 0.00 178.44 175.79 1ja1 n PRO 126 N -4.54 0.07 0.11 5.25 -0.02 -1.26 -1.34 135.00 133.27 1ja1 n PRO 126 Ca 0.16 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1ja1 n PRO 126 Cb 0.43 -1.73 0.46 0.00 -0.02 0.00 0.00 33.50 32.64 1ja1 n PRO 126 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ja1 n GLU 127 N -1.87 0.19 -3.83 -0.52 1.02 -0.43 -4.59 120.64 110.60 1ja1 n GLU 127 Ca -0.01 0.33 -0.36 0.00 -0.02 0.00 0.00 57.16 57.10 1ja1 n GLU 127 Cb 0.02 -1.81 -0.10 0.00 -0.02 0.00 0.00 31.44 29.53 1ja1 n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ja1 s ILE 128 N -3.21 4.91 0.35 -3.67 1.01 -0.45 -5.07 121.20 115.06 1ja1 s ILE 128 Ca 0.07 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.45 1ja1 s ILE 128 Cb 0.11 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 39.21 1ja1 s ILE 128 CO 0.45 0.39 1.40 -1.81 0.00 0.00 0.00 174.94 175.37 1ja1 s ASP 129 N 0.88 6.57 -1.31 3.58 1.01 -1.26 -2.44 116.67 123.70 1ja1 s ASP 129 Ca 0.05 2.85 -0.05 0.00 0.71 0.00 0.00 52.55 56.12 1ja1 s ASP 129 Cb -0.13 -2.66 0.03 0.00 1.01 0.00 0.00 42.92 41.17 1ja1 s ASP 129 CO 0.03 -0.70 0.33 0.29 0.21 0.00 0.00 175.17 175.33 1ja1 n LYS 130 N 0.76 -3.27 -2.25 8.23 5.02 -1.26 -4.91 118.16 120.47 1ja1 n LYS 130 Ca 0.01 0.65 -0.33 0.00 -2.02 0.00 0.00 58.31 56.63 1ja1 n LYS 130 Cb 0.40 -5.36 -0.01 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.45 6.10 -0.20 4.39 1.04 -1.02 -4.80 113.70 116.76 1ja1 s SER 131 Ca 0.22 1.79 -0.27 0.00 0.48 0.00 0.00 55.95 58.18 1ja1 s SER 131 Cb -0.11 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.54 1ja1 s SER 131 CO 0.28 -0.94 0.70 -0.22 0.98 0.00 0.00 173.24 174.04 1ja1 s LEU 132 N -4.14 -0.71 -0.06 2.42 2.96 -0.49 -4.49 118.68 114.18 1ja1 s LEU 132 Ca 0.64 1.21 0.06 0.00 -0.22 0.00 0.00 54.13 55.81 1ja1 s LEU 132 Cb -0.15 2.48 -0.01 0.00 0.50 0.00 0.00 46.19 49.02 1ja1 s LEU 132 CO 0.31 -0.36 -0.24 0.54 -1.32 0.00 0.00 176.35 175.28 1ja1 s VAL 133 N -0.13 1.93 0.01 1.68 0.11 -0.36 -2.40 120.40 121.25 1ja1 s VAL 133 Ca -0.04 -1.00 0.09 0.00 -2.93 0.00 0.00 61.98 58.10 1ja1 s VAL 133 Cb -0.03 -1.64 -0.02 0.00 -1.53 0.00 0.00 36.38 33.15 1ja1 s VAL 133 CO 0.04 0.54 -0.26 -0.69 -3.33 0.00 0.00 175.10 171.40 1ja1 s VAL 134 N -0.12 2.08 -0.17 2.04 1.01 -0.46 -1.96 120.40 122.83 1ja1 s VAL 134 Ca -0.04 -1.24 0.01 0.00 0.00 0.00 0.00 61.98 60.71 1ja1 s VAL 134 Cb -0.13 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1ja1 s VAL 134 CO 0.03 0.47 -0.18 -0.36 0.00 0.00 0.00 175.10 175.07 1ja1 s PHE 135 N -0.70 2.58 -0.48 5.22 0.08 -0.31 -0.63 117.98 123.73 1ja1 s PHE 135 Ca 0.11 -1.50 -0.10 0.00 0.12 0.00 0.00 56.93 55.56 1ja1 s PHE 135 Cb -0.10 -1.81 0.12 0.00 -0.57 0.00 0.00 43.02 40.66 1ja1 s PHE 135 CO 0.00 -0.76 0.36 0.00 -0.10 0.00 0.00 175.22 174.73 1ja1 s MET 137 N 1.36 3.21 0.19 0.00 1.00 -0.62 -1.11 119.30 123.33 1ja1 s MET 137 Ca 0.06 -0.73 0.01 0.00 0.00 0.00 0.00 55.69 55.04 1ja1 s MET 137 Cb -0.26 -2.76 -0.04 0.00 0.00 0.00 0.00 34.83 31.77 1ja1 s MET 137 CO -0.01 -0.14 0.35 0.00 0.00 0.00 0.00 175.02 175.23 1ja1 s ALA 138 N 1.22 3.89 0.05 3.03 0.00 -0.39 -0.53 121.76 129.04 1ja1 s ALA 138 Ca 0.02 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.05 1ja1 s ALA 138 Cb -0.14 -1.88 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1ja1 s ALA 138 CO -0.06 0.42 -0.02 0.99 0.00 0.00 0.00 175.76 177.09 1ja1 s THR 139 N -1.86 3.92 0.21 0.00 2.01 -1.21 -4.04 115.64 114.67 1ja1 s THR 139 Ca 0.36 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1ja1 s THR 139 Cb -0.11 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.59 1ja1 s THR 139 CO 0.29 0.23 0.14 0.00 -0.69 0.00 0.00 174.62 174.60 1ja1 n TYR 140 N 0.97 -0.30 0.00 4.92 9.36 -1.23 -4.96 117.16 125.93 1ja1 n TYR 140 Ca -0.13 -1.64 0.00 0.00 3.32 0.00 0.00 57.90 59.46 1ja1 n TYR 140 Cb 0.52 0.12 0.00 0.00 -0.63 0.00 0.00 39.34 39.35 1ja1 n TYR 140 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ja1 n GLY 141 N -0.12 2.47 2.76 2.98 0.00 -1.26 -1.38 105.19 110.64 1ja1 n GLY 141 Ca 0.02 0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 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 3.98 -1.36 1.61 4.71 -1.26 -4.70 120.64 137.63 1ja1 n GLU 142 Ca 0.00 -4.71 -0.09 0.00 -0.01 0.00 0.00 57.16 52.35 1ja1 n GLU 142 Cb 0.00 -2.36 -0.03 0.00 -1.01 0.00 0.00 31.44 28.03 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 0.35 0.94 0.30 0.62 0.00 -0.87 -4.97 105.19 101.55 1ja1 n GLY 143 Ca 0.34 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1ja1 n GLY 143 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ja1 n ASP 144 N 0.54 -0.37 -4.77 1.61 8.00 -0.48 -4.53 116.55 116.55 1ja1 n ASP 144 Ca -0.09 -0.87 -0.22 0.00 0.71 0.00 0.00 54.79 54.32 1ja1 n ASP 144 Cb 0.32 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 1ja1 n ASP 144 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1ja1 s PRO 145 N -3.22 2.63 0.72 -0.24 0.02 -1.26 -3.48 135.00 130.17 1ja1 s PRO 145 Ca 0.06 -1.28 -0.14 0.00 0.02 0.00 0.00 61.00 59.66 1ja1 s PRO 145 Cb -0.00 -2.37 0.03 0.00 0.02 0.00 0.00 34.50 32.18 1ja1 s PRO 145 CO 0.04 0.29 1.13 0.95 -0.33 0.00 0.00 177.00 179.08 1ja1 s THR 146 N -2.27 2.96 0.28 0.99 -4.23 -1.26 -4.56 115.64 107.56 1ja1 s THR 146 Ca 0.35 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 61.28 1ja1 s THR 146 Cb -0.06 -2.89 0.31 0.00 1.34 0.00 0.00 72.50 71.20 1ja1 s THR 146 CO 0.23 -0.31 1.65 0.44 -0.54 0.00 0.00 174.62 176.09 1ja1 h ASP 147 N -0.44 -0.01 0.65 3.99 3.45 -1.97 0.33 116.42 122.40 1ja1 h ASP 147 Ca -0.46 0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.20 1ja1 h ASP 147 Cb 1.26 0.27 0.00 0.00 -0.56 0.00 0.00 39.33 40.29 1ja1 h ASP 147 CO 0.51 -0.15 0.00 -0.46 -1.57 0.00 0.00 179.24 177.58 1ja1 n ASN 148 N -5.23 0.00 -0.65 6.45 6.94 -1.26 -2.74 115.26 118.77 1ja1 n ASN 148 Ca 0.21 0.49 0.06 0.00 -0.02 0.00 0.00 54.58 55.32 1ja1 n ASN 148 Cb 0.66 -0.49 0.14 0.00 -2.36 0.00 0.00 39.78 37.72 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 -1.49 2.28 0.11 -2.53 0.00 0.11 -3.03 120.51 115.95 1ja1 n ALA 149 Ca 0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.36 1ja1 n ALA 149 Cb 0.22 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 1ja1 n ALA 149 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ja1 h GLN 150 N 2.33 -0.18 -0.59 0.00 5.75 -1.26 -0.92 115.11 120.23 1ja1 h GLN 150 Ca 0.00 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 1ja1 h GLN 150 Cb 0.69 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 1ja1 h GLN 150 CO 0.00 -0.09 0.38 -0.44 -2.65 0.00 0.00 178.83 176.03 1ja1 h ASP 151 N -0.22 0.64 -0.57 -0.69 3.32 -1.83 0.12 116.42 117.20 1ja1 h ASP 151 Ca -0.02 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1ja1 h ASP 151 Cb 0.17 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1ja1 h ASP 151 CO 0.03 0.46 0.35 0.15 -1.72 0.00 0.00 179.24 178.50 1ja1 h PHE 152 N 0.76 0.74 -0.23 4.55 3.57 -1.84 0.52 116.94 125.01 1ja1 h PHE 152 Ca 0.23 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1ja1 h PHE 152 Cb -0.04 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1ja1 h PHE 152 CO -0.04 0.51 0.12 -0.92 -2.23 0.00 0.00 178.31 175.75 1ja1 h TYR 153 N 0.76 0.32 -0.71 0.41 3.20 -0.58 -0.64 116.97 119.74 1ja1 h TYR 153 Ca 0.20 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 1ja1 h TYR 153 Cb -0.02 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1ja1 h TYR 153 CO -0.02 0.28 0.45 -0.44 -1.64 0.00 0.00 178.16 176.79 1ja1 h ASP 154 N 0.26 0.76 -0.80 -2.11 3.32 -0.40 -2.56 116.42 114.89 1ja1 h ASP 154 Ca 0.08 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1ja1 h ASP 154 Cb 0.07 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1ja1 h ASP 154 CO -0.01 0.53 0.39 -0.25 -1.72 0.00 0.00 179.24 178.18 1ja1 h TRP 155 N 0.90 1.15 -1.00 4.55 7.01 -0.49 -2.75 115.95 125.31 1ja1 h TRP 155 Ca 0.28 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.24 1ja1 h TRP 155 Cb -0.02 -0.36 -0.05 0.00 -2.10 0.00 0.00 29.16 26.63 1ja1 h TRP 155 CO -0.04 0.83 0.66 -0.07 -2.79 0.00 0.00 178.44 177.04 1ja1 h LEU 156 N 1.13 1.14 -0.15 0.65 3.38 -0.71 0.24 115.31 121.00 1ja1 h LEU 156 Ca 0.28 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 1ja1 h LEU 156 Cb 0.11 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.58 1ja1 h LEU 156 CO -0.04 0.82 -0.77 1.56 0.09 0.00 0.00 178.44 180.10 1ja1 h GLN 157 N 1.35 0.78 0.13 1.13 4.20 -1.43 -3.34 115.11 117.93 1ja1 h GLN 157 Ca 0.37 -0.65 -0.29 0.00 0.06 0.00 0.00 58.65 58.15 1ja1 h GLN 157 Cb -0.14 0.14 0.02 0.00 0.30 0.00 0.00 27.48 27.79 1ja1 h GLN 157 CO -0.08 1.25 -1.24 0.93 -0.67 0.00 0.00 178.83 179.01 1ja1 h GLU 158 N 0.51 0.44 -7.28 1.46 3.07 -1.26 -3.47 114.58 108.05 1ja1 h GLU 158 Ca -0.06 -0.65 -0.52 0.00 -0.50 0.00 0.00 59.36 57.64 1ja1 h GLU 158 Cb 1.41 0.23 0.16 0.00 -0.84 0.00 0.00 28.75 29.71 1ja1 h GLU 158 CO 0.16 1.29 0.28 -0.08 -1.40 0.00 0.00 179.01 179.25 1ja1 s THR 159 N -2.83 2.64 0.00 1.13 -1.32 0.81 -4.96 115.64 111.12 1ja1 s THR 159 Ca -0.07 0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 1ja1 s THR 159 Cb 0.06 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 1ja1 s THR 159 CO 0.91 -0.26 0.53 -0.67 -2.21 0.00 0.00 174.62 172.91 1ja1 n ASP 160 N -3.80 0.48 -4.60 8.08 -0.08 -1.26 -4.98 116.55 110.39 1ja1 n ASP 160 Ca 0.11 -1.21 -0.41 0.00 -1.51 0.00 0.00 54.79 51.77 1ja1 n ASP 160 Cb 0.52 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.00 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 -0.11 2.62 -3.27 5.18 3.14 -1.26 -4.95 118.33 119.68 1ja1 n VAL 161 Ca 0.00 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.47 1ja1 n VAL 161 Cb 0.38 -1.13 -0.08 0.00 -1.06 0.00 0.00 33.84 31.95 1ja1 n VAL 161 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ja1 s ASP 162 N -0.84 6.33 -0.41 6.55 2.15 -1.26 -4.83 116.67 124.36 1ja1 s ASP 162 Ca 0.65 0.14 0.06 0.00 0.43 0.00 0.00 52.55 53.84 1ja1 s ASP 162 Cb -0.53 -2.26 0.68 0.00 -0.30 0.00 0.00 42.92 40.52 1ja1 s ASP 162 CO 0.55 -0.38 1.86 0.18 -0.17 0.00 0.00 175.17 177.22 1ja1 n LEU 163 N 5.61 6.40 -4.68 -1.34 4.77 -0.41 -4.81 117.00 122.53 1ja1 n LEU 163 Ca -0.05 -3.52 -0.44 0.00 -0.03 0.00 0.00 56.01 51.96 1ja1 n LEU 163 Cb 0.49 -0.80 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 1ja1 n LEU 163 CO 0.42 1.00 1.04 0.41 -1.33 0.00 0.00 177.39 178.93 1ja1 n THR 164 N -0.89 1.03 0.00 -5.08 -1.04 -1.25 -1.33 114.28 105.72 1ja1 n THR 164 Ca 0.53 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1ja1 n THR 164 Cb 1.56 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ja1 n THR 164 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ja1 n GLY 165 N 2.06 2.53 3.72 3.41 0.00 -1.26 -4.91 105.19 110.74 1ja1 n GLY 165 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 4.63 -0.14 1.61 1.01 -0.44 -4.65 120.40 120.04 1ja1 s VAL 166 Ca 0.00 2.04 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1ja1 s VAL 166 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1ja1 s VAL 166 CO 0.00 0.27 -0.06 -0.54 0.00 0.00 0.00 175.10 174.77 1ja1 s LYS 167 N 0.31 3.55 0.22 2.72 -0.14 -1.26 -0.33 119.74 124.82 1ja1 s LYS 167 Ca 0.48 -0.56 0.00 0.00 -1.36 0.00 0.00 55.97 54.53 1ja1 s LYS 167 Cb -0.22 -2.83 -0.04 0.00 -1.68 0.00 0.00 37.83 33.06 1ja1 s LYS 167 CO 0.29 0.26 0.14 -0.59 -0.76 0.00 0.00 175.35 174.70 1ja1 s PHE 168 N 0.28 1.25 -0.07 3.18 -0.71 -0.77 -1.22 117.98 119.92 1ja1 s PHE 168 Ca -0.05 -1.40 -0.24 0.00 -1.04 0.00 0.00 56.93 54.20 1ja1 s PHE 168 Cb -0.14 -0.60 0.05 0.00 -1.21 0.00 0.00 43.02 41.12 1ja1 s PHE 168 CO 0.04 -0.65 0.54 0.00 -1.34 0.00 0.00 175.22 173.81 1ja1 s ALA 169 N -4.06 -1.40 -0.02 1.99 0.00 -0.83 0.19 121.76 117.64 1ja1 s ALA 169 Ca 0.39 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.43 1ja1 s ALA 169 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1ja1 s ALA 169 CO 0.14 -0.32 -0.08 0.08 0.00 0.00 0.00 175.76 175.58 1ja1 s VAL 170 N -0.96 0.68 -0.20 0.00 1.01 -1.26 -1.17 120.40 118.49 1ja1 s VAL 170 Ca -0.10 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1ja1 s VAL 170 Cb -0.02 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.80 1ja1 s VAL 170 CO 0.07 0.21 -0.11 0.12 0.00 0.00 0.00 175.10 175.39 1ja1 s PHE 171 N 0.13 2.51 -0.01 5.22 5.36 0.34 -0.84 117.98 130.69 1ja1 s PHE 171 Ca -0.02 -1.66 -0.13 0.00 -0.96 0.00 0.00 56.93 54.16 1ja1 s PHE 171 Cb -0.07 -1.68 -0.05 0.00 -0.34 0.00 0.00 43.02 40.88 1ja1 s PHE 171 CO 0.00 -0.76 0.36 0.20 -1.46 0.00 0.00 175.22 173.56 1ja1 s GLY 172 N 1.36 2.41 -1.04 13.12 0.00 0.76 -1.60 107.32 122.34 1ja1 s GLY 172 Ca -0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.29 1ja1 s GLY 172 CO -0.08 0.03 1.05 1.08 0.00 0.00 0.00 173.10 175.17 1ja1 s LEU 173 N -1.14 6.34 0.00 0.66 1.02 0.31 -0.95 118.68 124.92 1ja1 s LEU 173 Ca 0.23 -3.30 0.01 0.00 0.02 0.00 0.00 54.13 51.09 1ja1 s LEU 173 Cb -0.16 -2.23 0.01 0.00 0.02 0.00 0.00 46.19 43.84 1ja1 s LEU 173 CO 0.12 -0.41 0.08 0.61 0.02 0.00 0.00 176.35 176.77 1ja1 n GLY 174 N 3.18 3.37 1.68 -3.19 0.00 0.14 -3.28 105.19 107.08 1ja1 n GLY 174 Ca 0.22 -2.23 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 1ja1 n GLY 174 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ja1 n ASN 175 N -1.61 -0.93 -0.02 1.61 2.85 -1.24 -2.62 115.26 113.29 1ja1 n ASN 175 Ca -0.03 -1.60 -0.00 0.00 -0.11 0.00 0.00 54.58 52.84 1ja1 n ASN 175 Cb 0.20 1.54 -0.05 0.00 1.24 0.00 0.00 39.78 42.71 1ja1 n ASN 175 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ja1 n LYS 176 N -0.27 1.66 0.00 1.20 5.02 -1.26 -4.33 118.16 120.18 1ja1 n LYS 176 Ca -0.03 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1ja1 n LYS 176 Cb 0.26 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1ja1 n LYS 176 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ja1 n THR 177 N -2.01 0.00 -4.26 -0.18 -2.24 -1.26 -4.69 114.28 99.64 1ja1 n THR 177 Ca -0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.51 1ja1 n THR 177 Cb 0.46 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.31 1ja1 n THR 177 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ja1 s TYR 178 N -1.46 1.42 0.00 4.78 2.02 -1.26 -4.95 117.35 117.90 1ja1 s TYR 178 Ca 0.00 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1ja1 s TYR 178 Cb 0.00 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.76 1ja1 s TYR 178 CO 0.00 0.10 0.57 -1.91 -1.57 0.00 0.00 175.55 172.74 1ja1 n GLU 179 N 1.35 0.00 -2.77 -0.62 2.13 -1.26 -3.94 120.64 115.54 1ja1 n GLU 179 Ca -0.20 0.23 -0.43 0.00 0.66 0.00 0.00 57.16 57.43 1ja1 n GLU 179 Cb 0.54 -1.07 -0.03 0.00 0.27 0.00 0.00 31.44 31.15 1ja1 n GLU 179 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1ja1 s HIS 180 N -1.28 2.81 -0.26 4.31 3.76 -1.26 -4.96 115.29 118.41 1ja1 s HIS 180 Ca 0.00 -1.03 -0.29 0.00 -0.15 0.00 0.00 55.06 53.59 1ja1 s HIS 180 Cb 0.00 -4.45 0.01 0.00 1.11 0.00 0.00 32.58 29.24 1ja1 s HIS 180 CO 0.00 -1.70 1.15 0.12 -0.85 0.00 0.00 174.74 173.46 1ja1 s PHE 181 N 3.83 3.04 -1.13 1.40 5.36 -1.25 -3.39 117.98 125.84 1ja1 s PHE 181 Ca 0.36 1.16 -0.01 0.00 -0.96 0.00 0.00 56.93 57.49 1ja1 s PHE 181 Cb -0.05 -3.59 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 1ja1 s PHE 181 CO -0.06 -1.08 0.07 0.09 -1.46 0.00 0.00 175.22 172.78 1ja1 n ASN 182 N 6.83 -4.26 0.02 6.13 5.03 -1.26 -4.64 115.26 123.11 1ja1 n ASN 182 Ca 0.13 -0.04 -0.10 0.00 0.87 0.00 0.00 54.58 55.43 1ja1 n ASN 182 Cb 0.46 -3.38 -0.04 0.00 -1.02 0.00 0.00 39.78 35.80 1ja1 n ASN 182 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ja1 h ALA 183 N 0.65 -0.30 0.50 5.41 0.00 -1.87 -2.01 119.26 121.64 1ja1 h ALA 183 Ca -0.33 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ja1 h ALA 183 Cb 1.24 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1ja1 h ALA 183 CO 0.38 -0.75 -0.45 1.98 0.00 0.00 0.00 179.25 180.41 1ja1 h MET 184 N -0.36 -0.91 -0.74 0.00 1.85 -1.79 -1.11 114.93 111.86 1ja1 h MET 184 Ca 0.09 0.06 0.15 0.00 -0.61 0.00 0.00 59.70 59.39 1ja1 h MET 184 Cb 0.49 0.21 -0.14 0.00 0.43 0.00 0.00 31.60 32.59 1ja1 h MET 184 CO -0.30 -0.61 -0.19 0.78 -0.40 0.00 0.00 176.91 176.19 1ja1 h GLY 185 N -0.95 0.51 1.04 1.39 0.00 -1.71 0.66 103.07 104.02 1ja1 h GLY 185 Ca -0.06 0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1ja1 h GLY 185 CO -0.03 -0.28 0.40 0.50 0.00 0.00 0.00 176.54 177.13 1ja1 h LYS 186 N -0.01 1.23 0.27 4.80 1.57 -1.11 -2.40 116.57 120.93 1ja1 h LYS 186 Ca 0.35 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1ja1 h LYS 186 Cb 0.55 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1ja1 h LYS 186 CO -0.77 0.95 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.01 1ja1 h TYR 187 N 1.22 -0.34 -0.28 -1.35 3.20 0.38 -1.78 116.97 118.02 1ja1 h TYR 187 Ca 0.29 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.21 1ja1 h TYR 187 Cb 0.13 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 1ja1 h TYR 187 CO 0.02 -0.07 -0.07 0.28 -1.64 0.00 0.00 178.16 176.68 1ja1 h VAL 188 N -0.57 0.73 -0.99 1.81 2.07 -1.10 0.40 116.25 118.60 1ja1 h VAL 188 Ca -0.04 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1ja1 h VAL 188 Cb 0.42 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1ja1 h VAL 188 CO 0.06 0.00 0.64 -0.78 0.02 0.00 0.00 177.57 177.52 1ja1 h ASP 189 N 0.00 1.07 -0.06 0.57 1.82 -1.43 -1.11 116.42 117.28 1ja1 h ASP 189 Ca 0.13 -0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.70 1ja1 h ASP 189 Cb 0.20 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1ja1 h ASP 189 CO -0.28 0.72 -0.24 -0.61 -1.61 0.00 0.00 179.24 177.22 1ja1 h GLN 190 N 1.23 0.26 -0.34 0.28 -0.00 -0.57 -3.26 115.11 112.71 1ja1 h GLN 190 Ca 0.40 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.65 58.83 1ja1 h GLN 190 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.53 1ja1 h GLN 190 CO -0.13 0.85 0.17 -0.09 0.00 0.00 0.00 178.83 179.62 1ja1 h ARG 191 N -0.26 0.49 -0.96 1.69 9.65 -0.02 -1.91 114.38 123.07 1ja1 h ARG 191 Ca -0.01 -0.07 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 1ja1 h ARG 191 Cb 0.88 -0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 29.31 1ja1 h ARG 191 CO 0.05 0.44 0.62 -0.07 2.80 0.00 0.00 179.97 183.81 1ja1 h LEU 192 N 0.42 0.94 -0.30 3.80 3.38 -1.34 0.10 115.31 122.32 1ja1 h LEU 192 Ca 0.12 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1ja1 h LEU 192 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ja1 h LEU 192 CO -0.02 0.57 0.04 -0.08 0.09 0.00 0.00 178.44 179.04 1ja1 h GLU 193 N 1.05 0.50 -0.87 1.13 4.81 -1.54 -1.15 114.58 118.51 1ja1 h GLU 193 Ca 0.44 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 1ja1 h GLU 193 Cb 0.30 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 1ja1 h GLU 193 CO -0.19 0.61 0.55 1.96 -0.73 0.00 0.00 179.01 181.21 1ja1 h GLN 194 N 0.31 1.00 0.00 1.92 4.20 -0.36 -0.22 115.11 121.96 1ja1 h GLN 194 Ca 0.09 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1ja1 h GLN 194 Cb 0.36 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1ja1 h GLN 194 CO 0.01 0.66 0.00 1.28 -0.67 0.00 0.00 178.83 180.11 1ja1 n LEU 195 N -4.58 0.00 0.00 1.46 4.77 0.21 -4.83 117.00 114.03 1ja1 n LEU 195 Ca 0.12 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1ja1 n LEU 195 Cb 0.14 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1ja1 n LEU 195 CO 0.32 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1ja1 n GLY 196 N -0.39 0.91 3.81 -0.72 0.00 -0.09 -1.29 105.19 107.41 1ja1 n GLY 196 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 2.77 -0.19 4.61 0.00 -0.46 -3.80 121.76 122.68 1ja1 s ALA 197 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.19 1ja1 s ALA 197 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1ja1 s ALA 197 CO 0.00 -0.85 0.00 -1.14 0.00 0.00 0.00 175.76 173.77 1ja1 s GLN 198 N -4.34 3.69 0.07 0.00 0.74 0.56 -4.21 119.66 116.16 1ja1 s GLN 198 Ca 0.61 -0.49 -0.31 0.00 0.05 0.00 0.00 55.36 55.22 1ja1 s GLN 198 Cb -0.15 -3.06 -0.07 0.00 1.10 0.00 0.00 33.01 30.83 1ja1 s GLN 198 CO 0.41 0.10 1.36 0.50 -0.55 0.00 0.00 175.29 177.12 1ja1 s ARG 199 N 0.76 4.33 0.01 1.67 3.52 -1.26 -1.85 118.95 126.13 1ja1 s ARG 199 Ca 0.00 1.99 0.22 0.00 -0.13 0.00 0.00 55.73 57.81 1ja1 s ARG 199 Cb -0.14 -3.37 -0.20 0.00 -1.56 0.00 0.00 34.95 29.68 1ja1 s ARG 199 CO 0.02 -0.45 0.74 1.51 -0.81 0.00 0.00 175.30 176.31 1ja1 n ILE 200 N 4.17 0.08 -3.63 4.11 3.06 0.13 -4.86 119.36 122.42 1ja1 n ILE 200 Ca 0.12 -0.33 -0.15 0.00 -2.50 0.00 0.00 62.75 59.89 1ja1 n ILE 200 Cb 0.43 0.26 -0.07 0.00 0.54 0.00 0.00 39.64 40.80 1ja1 n ILE 200 CO 0.00 0.00 0.00 0.12 -2.50 0.00 0.00 176.55 174.17 1ja1 s PHE 201 N -3.31 -0.60 0.58 9.51 5.36 -1.24 -4.81 117.98 123.47 1ja1 s PHE 201 Ca -0.01 1.28 -0.18 0.00 -0.96 0.00 0.00 56.93 57.06 1ja1 s PHE 201 Cb 0.14 0.27 -0.07 0.00 -0.34 0.00 0.00 43.02 43.02 1ja1 s PHE 201 CO 0.87 -0.42 0.70 -0.85 -1.46 0.00 0.00 175.22 174.05 1ja1 n GLU 202 N 1.96 0.65 -2.02 10.12 0.28 -1.26 -4.49 120.64 125.87 1ja1 n GLU 202 Ca -0.16 0.25 -0.40 0.00 -0.16 0.00 0.00 57.16 56.69 1ja1 n GLU 202 Cb 0.56 -1.89 -0.01 0.00 1.43 0.00 0.00 31.44 31.54 1ja1 n GLU 202 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1ja1 s LEU 203 N -0.39 4.31 -0.15 -1.84 2.96 -1.26 -4.63 118.68 117.68 1ja1 s LEU 203 Ca 0.72 2.75 -0.08 0.00 -0.22 0.00 0.00 54.13 57.30 1ja1 s LEU 203 Cb -0.43 -3.76 -0.04 0.00 0.50 0.00 0.00 46.19 42.45 1ja1 s LEU 203 CO 0.51 -0.74 0.12 -0.83 -1.32 0.00 0.00 176.35 174.09 1ja1 s GLY 204 N -0.52 2.08 -0.59 7.98 0.00 -0.02 -4.99 107.32 111.25 1ja1 s GLY 204 Ca 0.53 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.61 1ja1 s GLY 204 CO 0.53 -0.15 0.36 1.08 0.00 0.00 0.00 173.10 174.92 1ja1 s LEU 205 N -0.37 4.56 0.46 0.66 1.43 -1.26 -0.17 118.68 123.99 1ja1 s LEU 205 Ca 0.11 -3.29 -0.20 0.00 -1.03 0.00 0.00 54.13 49.72 1ja1 s LEU 205 Cb -0.12 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.35 1ja1 s LEU 205 CO 0.01 -0.19 0.97 -0.83 0.23 0.00 0.00 176.35 176.54 1ja1 s GLY 206 N -0.61 2.30 -0.24 -3.19 0.00 -0.12 -4.88 107.32 100.57 1ja1 s GLY 206 Ca 0.20 0.35 -0.02 0.00 0.00 0.00 0.00 44.72 45.25 1ja1 s GLY 206 CO -0.06 0.63 0.05 -0.35 0.00 0.00 0.00 173.10 173.37 1ja1 s ASP 207 N -2.43 3.47 0.00 1.64 -1.08 -1.17 -0.69 116.67 116.41 1ja1 s ASP 207 Ca 0.61 -1.18 0.12 0.00 -0.52 0.00 0.00 52.55 51.58 1ja1 s ASP 207 Cb -0.10 -0.77 0.54 0.00 -1.46 0.00 0.00 42.92 41.13 1ja1 s ASP 207 CO 0.19 -0.34 1.32 -0.67 0.52 0.00 0.00 175.17 176.19 1ja1 n ASP 208 N 4.93 0.00 0.06 -0.34 -0.08 -1.08 -2.28 116.55 117.76 1ja1 n ASP 208 Ca -0.07 0.31 -0.07 0.00 -1.51 0.00 0.00 54.79 53.46 1ja1 n ASP 208 Cb 0.45 -0.40 -0.10 0.00 2.34 0.00 0.00 41.12 43.41 1ja1 n ASP 208 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1ja1 h ASP 209 N 0.00 0.00 0.00 1.67 3.58 -1.94 -3.42 116.42 116.30 1ja1 h ASP 209 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ja1 h ASP 209 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1ja1 h ASP 209 CO 0.00 0.97 0.00 0.61 -2.88 0.00 0.00 179.24 177.94 1ja1 n GLY 210 N 1.30 -0.11 3.03 -0.78 0.00 -0.97 -5.07 105.19 102.60 1ja1 n GLY 210 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.65 -0.63 0.05 1.61 3.84 -0.97 -5.04 114.94 113.15 1ja1 s ASN 211 Ca 0.00 0.15 -0.24 0.00 0.21 0.00 0.00 52.86 52.98 1ja1 s ASN 211 Cb 0.00 1.61 -0.16 0.00 -0.55 0.00 0.00 41.25 42.15 1ja1 s ASN 211 CO 0.00 -0.31 1.55 0.25 -2.79 0.00 0.00 177.10 175.80 1ja1 h LEU 212 N 8.08 0.04 -0.68 3.21 5.85 -1.84 -2.55 115.31 127.42 1ja1 h LEU 212 Ca -0.11 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.52 1ja1 h LEU 212 Cb 1.16 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.05 1ja1 h LEU 212 CO 0.23 0.23 -0.33 -0.08 -0.34 0.00 0.00 178.44 178.15 1ja1 h GLU 213 N -0.16 -0.11 -0.51 1.25 4.57 -1.96 0.30 114.58 117.96 1ja1 h GLU 213 Ca 0.01 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1ja1 h GLU 213 Cb 0.21 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1ja1 h GLU 213 CO -0.00 -0.07 0.15 0.93 -1.18 0.00 0.00 179.01 178.83 1ja1 h GLU 214 N -0.12 0.76 -0.64 1.92 4.39 -1.97 0.33 114.58 119.25 1ja1 h GLU 214 Ca 0.27 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1ja1 h GLU 214 Cb 0.56 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1ja1 h GLU 214 CO -0.75 0.67 0.06 -0.44 -1.16 0.00 0.00 179.01 177.39 1ja1 h ASP 215 N 0.74 1.06 -0.11 1.42 3.32 -0.29 -1.32 116.42 121.24 1ja1 h ASP 215 Ca 0.17 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1ja1 h ASP 215 Cb 0.23 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1ja1 h ASP 215 CO -0.01 1.08 0.04 0.15 -1.72 0.00 0.00 179.24 178.78 1ja1 h PHE 216 N 1.01 0.18 -0.52 4.55 3.57 0.05 -1.29 116.94 124.49 1ja1 h PHE 216 Ca 0.19 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1ja1 h PHE 216 Cb 0.50 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1ja1 h PHE 216 CO 0.04 0.30 0.19 0.82 -2.23 0.00 0.00 178.31 177.43 1ja1 h ILE 217 N 0.01 0.82 0.12 1.41 2.04 -0.74 0.29 117.51 121.45 1ja1 h ILE 217 Ca 0.04 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1ja1 h ILE 217 Cb 0.20 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1ja1 h ILE 217 CO -0.00 0.07 -0.06 0.74 0.00 0.00 0.00 178.15 178.90 1ja1 h THR 218 N 0.37 0.89 0.16 -0.27 2.02 -1.09 -1.13 112.91 113.86 1ja1 h THR 218 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1ja1 h THR 218 Cb 0.27 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1ja1 h THR 218 CO -0.25 0.00 -0.08 -0.25 0.37 0.00 0.00 175.52 175.31 1ja1 h TRP 219 N -0.16 -0.21 -0.94 3.16 7.01 -0.76 -2.91 115.95 121.15 1ja1 h TRP 219 Ca -0.02 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.09 1ja1 h TRP 219 Cb 0.12 0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.18 1ja1 h TRP 219 CO -0.07 -0.13 0.60 -0.09 -2.79 0.00 0.00 178.44 175.96 1ja1 h ARG 220 N -0.22 0.90 0.00 2.65 2.43 -0.36 0.11 114.38 119.89 1ja1 h ARG 220 Ca -0.02 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1ja1 h ARG 220 Cb 0.17 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1ja1 h ARG 220 CO 0.03 0.59 -0.24 1.49 -1.51 0.00 0.00 179.97 180.34 1ja1 h GLU 221 N 0.92 0.00 0.00 0.20 4.81 -1.01 -2.85 114.58 116.66 1ja1 h GLU 221 Ca 0.44 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.35 1ja1 h GLU 221 Cb 0.45 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.77 1ja1 h GLU 221 CO -0.21 0.24 -1.95 1.04 -0.73 0.00 0.00 179.01 177.40 1ja1 n GLN 222 N -4.21 0.66 0.27 1.92 6.02 -0.70 -4.36 117.38 116.97 1ja1 n GLN 222 Ca -0.02 0.19 -0.16 0.00 -0.01 0.00 0.00 57.00 57.00 1ja1 n GLN 222 Cb 0.29 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 29.78 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 -0.98 -0.78 1.08 3.57 -0.58 -2.44 116.94 116.81 1ja1 h PHE 223 Ca -0.38 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.16 1ja1 h PHE 223 Cb 2.09 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 41.15 1ja1 h PHE 223 CO 0.00 -0.53 0.49 -1.49 -2.23 0.00 0.00 178.31 174.55 1ja1 h TRP 224 N -0.81 0.91 -0.62 0.41 4.06 -1.75 -0.33 115.95 117.82 1ja1 h TRP 224 Ca -0.04 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.89 1ja1 h TRP 224 Cb 0.70 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 1ja1 h TRP 224 CO -0.17 0.49 0.22 -1.35 -3.56 0.00 0.00 178.44 174.08 1ja1 h PRO 225 N 0.92 0.92 -0.74 0.49 0.11 -1.74 0.71 132.00 132.67 1ja1 h PRO 225 Ca 0.33 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 1ja1 h PRO 225 Cb 0.09 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.01 1ja1 h PRO 225 CO -0.14 0.77 0.32 0.00 -0.21 0.00 0.00 178.00 178.74 1ja1 h ALA 226 N 1.34 0.96 -0.36 -0.75 0.00 -0.84 -1.06 119.26 118.55 1ja1 h ALA 226 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ja1 h ALA 226 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1ja1 h ALA 226 CO -0.01 0.55 0.10 0.28 0.00 0.00 0.00 179.25 180.17 1ja1 h VAL 227 N 1.05 1.22 -0.65 0.00 2.07 -0.32 -1.82 116.25 117.80 1ja1 h VAL 227 Ca 0.25 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1ja1 h VAL 227 Cb 0.17 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1ja1 h VAL 227 CO -0.03 0.25 0.17 0.00 0.02 0.00 0.00 177.57 177.99 1ja1 h GLU 229 N 0.97 0.80 -0.22 0.00 4.57 -1.11 0.32 114.58 119.91 1ja1 h GLU 229 Ca 0.21 -0.43 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 1ja1 h GLU 229 Cb 0.32 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1ja1 h GLU 229 CO -0.00 1.06 -0.07 0.35 -1.18 0.00 0.00 179.01 179.17 1ja1 h PHE 230 N 0.57 0.50 -0.01 0.92 3.04 -1.17 -3.10 116.94 117.69 1ja1 h PHE 230 Ca 0.05 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1ja1 h PHE 230 Cb 0.92 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.31 1ja1 h PHE 230 CO 0.07 0.69 -0.16 1.19 -2.02 0.00 0.00 178.31 178.08 1ja1 n PHE 231 N -4.57 0.00 -2.80 0.41 3.72 -0.62 -4.95 117.46 108.64 1ja1 n PHE 231 Ca -0.04 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.21 1ja1 n PHE 231 Cb 0.30 -0.11 0.03 0.00 -0.94 0.00 0.00 39.48 38.76 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 1.28 -0.08 3.96 1.37 0.00 0.89 -5.03 105.19 107.59 1ja1 n GLY 232 Ca 0.14 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1ja1 n GLY 232 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ja1 s VAL 233 N -2.98 4.55 0.13 1.61 -7.23 0.20 -5.01 120.40 111.67 1ja1 s VAL 233 Ca 0.22 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.38 1ja1 s VAL 233 Cb -0.10 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1ja1 s VAL 233 CO 0.27 -0.24 0.15 -1.61 -0.31 0.00 0.00 175.10 173.36 1ja1 s GLU 234 N -4.06 3.03 -0.51 4.82 8.01 -1.26 -4.63 118.70 124.09 1ja1 s GLU 234 Ca 0.40 -0.74 -0.05 0.00 0.01 0.00 0.00 54.97 54.59 1ja1 s GLU 234 Cb -0.09 -2.75 -0.10 0.00 -4.31 0.00 0.00 34.13 26.87 1ja1 s GLU 234 CO 0.30 0.52 2.26 0.00 0.01 0.00 0.00 175.26 178.35 1ja1 n ALA 235 N -0.10 4.58 -1.00 5.21 0.00 -1.26 -4.08 120.51 123.86 1ja1 n ALA 235 Ca -0.08 -1.62 0.00 0.00 0.00 0.00 0.00 53.44 51.74 1ja1 n ALA 235 Cb 0.53 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1ja1 n ALA 235 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ja1 n THR 236 N 3.47 0.00 -0.38 0.00 -1.04 -1.23 -2.65 114.28 112.44 1ja1 n THR 236 Ca 0.37 0.67 0.34 0.00 -2.04 0.00 0.00 64.05 63.39 1ja1 n THR 236 Cb 0.33 -1.26 0.58 0.00 -1.82 0.00 0.00 70.33 68.17 1ja1 n THR 236 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ja1 n GLY 237 N -0.30 -0.73 5.03 3.41 0.00 -1.12 -4.72 105.19 106.76 1ja1 n GLY 237 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 -4.64 0.00 -3.60 1.61 1.02 -1.09 -4.55 120.64 109.40 1ja1 n GLU 238 Ca 0.35 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.44 1ja1 n GLU 238 Cb 1.33 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.72 1ja1 n GLU 238 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ja1 s GLU 239 N 0.00 0.33 0.00 3.49 2.12 -1.26 -4.94 118.70 118.43 1ja1 s GLU 239 Ca 0.00 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1ja1 s GLU 239 Cb 0.00 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1ja1 s GLU 239 CO 0.00 -0.13 0.00 -1.13 -0.54 0.00 0.00 175.26 173.46 1ja1 n SER 240 N 0.17 0.00 -4.68 -1.70 3.41 -1.26 -5.13 113.62 104.44 1ja1 n SER 240 Ca -0.02 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.13 1ja1 n SER 240 Cb 0.58 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 1ja1 n SER 240 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ja1 n SER 241 N 0.00 3.55 -4.11 4.04 2.88 -1.26 -4.98 113.62 113.73 1ja1 n SER 241 Ca 0.00 1.00 -0.25 0.00 -1.33 0.00 0.00 58.87 58.29 1ja1 n SER 241 Cb 0.00 -1.44 -0.16 0.00 -0.75 0.00 0.00 64.21 61.86 1ja1 n SER 241 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ja1 s ILE 242 N 2.96 1.29 -0.06 2.46 1.01 -1.26 -5.14 121.20 122.46 1ja1 s ILE 242 Ca 0.86 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 1ja1 s ILE 242 Cb -0.62 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1ja1 s ILE 242 CO 0.44 0.38 0.12 -0.13 0.00 0.00 0.00 174.94 175.74 1ja1 s ARG 243 N -0.01 3.28 0.07 2.79 0.52 -1.26 -5.00 118.95 119.34 1ja1 s ARG 243 Ca -0.02 -0.30 0.14 0.00 -0.52 0.00 0.00 55.73 55.03 1ja1 s ARG 243 Cb -0.10 -3.03 -0.15 0.00 0.52 0.00 0.00 34.95 32.19 1ja1 s ARG 243 CO 0.01 0.71 0.93 0.37 0.02 0.00 0.00 175.30 177.35 1ja1 h GLN 244 N 4.51 0.00 -5.91 3.54 5.75 -1.98 -3.46 115.11 117.55 1ja1 h GLN 244 Ca -0.51 0.00 -0.52 0.00 -0.15 0.00 0.00 58.65 57.47 1ja1 h GLN 244 Cb 1.20 0.00 -0.19 0.00 1.07 0.00 0.00 27.48 29.57 1ja1 h GLN 244 CO 0.61 0.49 -0.79 0.71 -2.65 0.00 0.00 178.83 177.21 1ja1 s TYR 245 N -2.79 1.76 0.03 3.99 2.02 -1.26 -0.85 117.35 120.25 1ja1 s TYR 245 Ca -0.02 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 1ja1 s TYR 245 Cb 0.08 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.71 1ja1 s TYR 245 CO 0.81 0.28 -0.00 -1.83 -1.57 0.00 0.00 175.55 173.24 1ja1 s GLU 246 N -2.61 2.70 -0.11 -0.62 -1.05 0.55 -4.86 118.70 112.71 1ja1 s GLU 246 Ca 0.13 -0.69 -0.19 0.00 -0.15 0.00 0.00 54.97 54.07 1ja1 s GLU 246 Cb -0.06 -2.62 -0.04 0.00 -0.44 0.00 0.00 34.13 30.96 1ja1 s GLU 246 CO 0.06 0.60 0.51 -1.17 0.95 0.00 0.00 175.26 176.20 1ja1 s LEU 247 N -1.80 4.29 -0.20 1.83 2.96 -1.26 -1.16 118.68 123.33 1ja1 s LEU 247 Ca 0.22 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 1ja1 s LEU 247 Cb -0.12 -2.75 0.05 0.00 0.50 0.00 0.00 46.19 43.87 1ja1 s LEU 247 CO 0.13 -0.01 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.40 1ja1 s VAL 248 N 0.61 1.33 0.13 1.68 1.01 -0.45 -5.01 120.40 119.70 1ja1 s VAL 248 Ca 0.28 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 1ja1 s VAL 248 Cb -0.16 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 1ja1 s VAL 248 CO 0.12 0.02 0.66 -0.69 0.00 0.00 0.00 175.10 175.20 1ja1 s VAL 249 N 1.51 4.59 -0.42 2.92 1.01 -1.26 -1.27 120.40 127.48 1ja1 s VAL 249 Ca -0.02 1.38 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 1ja1 s VAL 249 Cb -0.17 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.35 1ja1 s VAL 249 CO -0.07 0.49 0.20 -1.00 0.00 0.00 0.00 175.10 174.72 1ja1 s HIS 250 N -1.19 3.59 -2.00 5.22 3.76 -0.13 -4.94 115.29 119.61 1ja1 s HIS 250 Ca 0.33 -2.50 0.16 0.00 -0.15 0.00 0.00 55.06 52.90 1ja1 s HIS 250 Cb -0.20 -3.19 0.98 0.00 1.11 0.00 0.00 32.58 31.27 1ja1 s HIS 250 CO 0.22 -0.96 1.51 0.39 -0.85 0.00 0.00 174.74 175.05 1ja1 n GLU 251 N 4.47 0.83 0.00 1.40 -0.58 -1.26 -4.50 120.64 121.00 1ja1 n GLU 251 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1ja1 n GLU 251 Cb 0.41 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 1ja1 n GLU 251 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ja1 n ASP 252 N -0.81 0.00 -2.12 1.62 5.68 -1.26 -5.15 116.55 114.51 1ja1 n ASP 252 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1ja1 n ASP 252 Cb 0.06 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1ja1 n ASP 252 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1ja1 n MET 253 N 0.00 -5.25 -2.18 0.11 1.56 -1.26 -4.79 117.12 105.30 1ja1 n MET 253 Ca 0.00 3.71 -0.43 0.00 -0.27 0.00 0.00 57.70 60.72 1ja1 n MET 253 Cb 0.00 -4.15 -0.02 0.00 2.15 0.00 0.00 33.22 31.19 1ja1 n MET 253 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1ja1 s ASP 254 N -0.50 6.61 0.49 6.12 1.01 -1.26 -4.84 116.67 124.30 1ja1 s ASP 254 Ca 0.00 1.76 0.43 0.00 0.71 0.00 0.00 52.55 55.45 1ja1 s ASP 254 Cb 0.00 -2.53 1.55 0.00 1.01 0.00 0.00 42.92 42.95 1ja1 s ASP 254 CO 0.00 -1.04 1.44 0.52 0.21 0.00 0.00 175.17 176.30 1ja1 n VAL 255 N 5.90 -0.05 0.27 -1.27 0.31 -1.26 0.24 118.33 122.47 1ja1 n VAL 255 Ca 0.17 1.44 0.14 0.00 -0.01 0.00 0.00 64.34 66.07 1ja1 n VAL 255 Cb 0.45 -2.38 0.68 0.00 -0.91 0.00 0.00 33.84 31.67 1ja1 n VAL 255 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ja1 h ALA 256 N 1.04 1.00 -0.12 3.52 0.00 -2.01 -2.76 119.26 119.92 1ja1 h ALA 256 Ca 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.74 1ja1 h ALA 256 Cb 3.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 21.07 1ja1 h ALA 256 CO -0.10 0.00 -0.10 0.36 0.00 0.00 0.00 179.25 179.41 1ja1 n LYS 257 N -2.48 1.84 -3.92 0.00 2.85 0.14 -4.90 118.16 111.69 1ja1 n LYS 257 Ca -0.00 -2.88 -0.36 0.00 -1.05 0.00 0.00 58.31 54.02 1ja1 n LYS 257 Cb 0.13 -1.66 -0.12 0.00 -0.65 0.00 0.00 35.03 32.73 1ja1 n LYS 257 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ja1 s VAL 258 N -2.99 4.33 0.34 0.58 1.01 -1.04 -4.33 120.40 118.29 1ja1 s VAL 258 Ca 0.38 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.90 1ja1 s VAL 258 Cb 0.33 -2.99 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 1ja1 s VAL 258 CO 0.02 0.39 1.30 -0.31 0.00 0.00 0.00 175.10 176.50 1ja1 s TYR 259 N 1.13 3.05 -0.09 5.22 1.51 0.32 -4.93 117.35 123.54 1ja1 s TYR 259 Ca 0.04 1.43 0.14 0.00 -1.01 0.00 0.00 57.07 57.66 1ja1 s TYR 259 Cb -0.14 -3.66 0.21 0.00 -0.11 0.00 0.00 41.96 38.26 1ja1 s TYR 259 CO 0.03 -1.82 1.10 0.25 -1.11 0.00 0.00 175.55 173.99 1ja1 n THR 260 N 0.73 1.48 0.00 -0.71 -2.24 -1.26 -4.47 114.28 107.81 1ja1 n THR 260 Ca 0.00 -1.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 1ja1 n THR 260 Cb 0.42 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.10 1.09 3.72 3.38 0.00 -1.26 -5.04 105.19 105.99 1ja1 n GLY 261 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 2.02 -0.11 1.61 8.01 -1.26 -4.96 118.70 124.01 1ja1 s GLU 262 Ca 0.00 1.60 -0.02 0.00 0.01 0.00 0.00 54.97 56.56 1ja1 s GLU 262 Cb 0.00 -1.84 -0.25 0.00 -4.31 0.00 0.00 34.13 27.73 1ja1 s GLU 262 CO 0.00 -1.89 0.40 -1.33 0.01 0.00 0.00 175.26 172.44 1ja1 n MET 263 N -3.07 0.73 0.00 1.61 2.81 -1.26 -4.88 117.12 113.06 1ja1 n MET 263 Ca 0.12 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1ja1 n MET 263 Cb 0.51 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1ja1 n MET 263 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ja1 n GLY 264 N 1.91 0.91 3.74 3.03 0.00 -1.18 -4.86 105.19 108.74 1ja1 n GLY 264 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 1.55 4.39 0.19 1.61 3.52 -1.26 -4.94 118.95 124.02 1ja1 s ARG 265 Ca 0.00 2.07 -0.32 0.00 -0.13 0.00 0.00 55.73 57.35 1ja1 s ARG 265 Cb 0.00 -3.18 -0.15 0.00 -1.56 0.00 0.00 34.95 30.06 1ja1 s ARG 265 CO 0.00 -0.24 1.16 -0.11 -0.81 0.00 0.00 175.30 175.30 1ja1 n LEU 266 N 2.41 1.68 -0.77 -0.88 7.94 -1.26 -0.97 117.00 125.15 1ja1 n LEU 266 Ca 0.05 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 56.00 1ja1 n LEU 266 Cb 0.43 -1.24 -0.04 0.00 0.53 0.00 0.00 43.42 43.09 1ja1 n LEU 266 CO 0.58 -1.25 -0.10 0.29 -1.11 0.00 0.00 177.39 175.80 1ja1 n LYS 267 N 1.65 -1.30 0.24 1.96 4.76 -1.26 -4.87 118.16 119.34 1ja1 n LYS 267 Ca 0.14 0.81 0.16 0.00 -2.87 0.00 0.00 58.31 56.55 1ja1 n LYS 267 Cb 0.26 -5.00 0.66 0.00 -1.84 0.00 0.00 35.03 29.11 1ja1 n LYS 267 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ja1 h SER 268 N 0.00 0.00 0.90 4.39 4.64 -1.30 0.12 113.55 122.31 1ja1 h SER 268 Ca -0.21 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.89 1ja1 h SER 268 Cb 0.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1ja1 h SER 268 CO 0.30 0.00 -1.05 1.88 -0.87 0.00 0.00 176.83 177.10 1ja1 h TYR 269 N 0.00 0.12 0.13 4.77 -1.99 -1.89 -3.30 116.97 114.80 1ja1 h TYR 269 Ca 0.00 -0.08 -0.34 0.00 2.00 0.00 0.00 58.73 60.31 1ja1 h TYR 269 Cb 0.43 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1ja1 h TYR 269 CO 0.00 1.06 -1.79 1.49 -0.00 0.00 0.00 178.16 178.92 1ja1 h GLU 270 N 0.02 0.27 -3.51 4.88 4.81 -1.88 -3.41 114.58 115.76 1ja1 h GLU 270 Ca -0.04 -0.46 -0.74 0.00 -0.13 0.00 0.00 59.36 57.99 1ja1 h GLU 270 Cb 1.80 0.17 -0.32 0.00 0.63 0.00 0.00 28.75 31.03 1ja1 h GLU 270 CO 0.15 1.14 0.00 -0.80 -0.73 0.00 0.00 179.01 178.76 1ja1 s ASN 271 N -6.99 6.26 -0.05 1.04 0.01 0.40 -5.05 114.94 110.56 1ja1 s ASN 271 Ca -0.15 -3.34 -0.30 0.00 -0.71 0.00 0.00 52.86 48.36 1ja1 s ASN 271 Cb 0.06 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 1ja1 s ASN 271 CO 0.82 -0.31 1.26 -1.10 -1.51 0.00 0.00 177.10 176.26 1ja1 s GLN 272 N -0.80 4.32 -0.09 -0.60 -1.52 -1.24 -4.55 119.66 115.17 1ja1 s GLN 272 Ca 0.24 1.75 -0.03 0.00 -1.95 0.00 0.00 55.36 55.37 1ja1 s GLN 272 Cb -0.11 -3.58 0.05 0.00 -0.22 0.00 0.00 33.01 29.14 1ja1 s GLN 272 CO -0.09 -0.51 0.13 0.21 -0.25 0.00 0.00 175.29 174.79 1ja1 s LYS 273 N 2.39 0.02 0.96 2.91 2.20 -1.26 -5.14 119.74 121.80 1ja1 s LYS 273 Ca 0.58 0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 56.51 1ja1 s LYS 273 Cb -0.26 -0.54 0.17 0.00 -1.51 0.00 0.00 37.83 35.68 1ja1 s LYS 273 CO 0.23 -0.37 1.09 -1.25 -0.36 0.00 0.00 175.35 174.68 1ja1 s PRO 274 N 2.25 0.75 0.52 4.03 0.04 -1.26 -4.64 135.00 136.68 1ja1 s PRO 274 Ca 0.04 0.97 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 1ja1 s PRO 274 Cb -0.13 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 1ja1 s PRO 274 CO -0.06 -2.63 1.03 -1.25 0.04 0.00 0.00 177.00 174.13 1ja1 s PRO 275 N -4.78 3.71 -0.14 0.56 0.04 -1.26 -5.16 135.00 127.98 1ja1 s PRO 275 Ca 0.65 1.24 -0.06 0.00 0.04 0.00 0.00 61.00 62.87 1ja1 s PRO 275 Cb -0.20 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1ja1 s PRO 275 CO 0.59 -0.49 0.09 -0.06 0.04 0.00 0.00 177.00 177.16 1ja1 s PHE 276 N -2.22 3.39 0.00 0.56 0.40 -1.26 -4.85 117.98 114.00 1ja1 s PHE 276 Ca 0.65 0.31 0.00 0.00 -0.60 0.00 0.00 56.93 57.29 1ja1 s PHE 276 Cb -0.15 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.42 1ja1 s PHE 276 CO 0.26 0.48 0.00 -0.40 0.70 0.00 0.00 175.22 176.26 1ja1 n ASP 277 N 2.57 0.00 -0.11 1.36 5.68 -0.16 -4.81 116.55 121.09 1ja1 n ASP 277 Ca -0.18 -0.41 0.20 0.00 -0.50 0.00 0.00 54.79 53.90 1ja1 n ASP 277 Cb 0.54 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.14 1ja1 n ASP 277 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ja1 h ALA 278 N 1.90 2.43 0.00 2.12 0.00 -1.94 -0.24 119.26 123.53 1ja1 h ALA 278 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ja1 h ALA 278 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ja1 h ALA 278 CO 0.00 -0.63 -1.21 1.63 0.00 0.00 0.00 179.25 179.04 1ja1 n LYS 279 N -4.40 0.56 -3.27 0.00 5.02 -1.26 -4.53 118.16 110.28 1ja1 n LYS 279 Ca 0.14 0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 56.21 1ja1 n LYS 279 Cb 0.66 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.46 0.64 -4.75 4.39 4.05 -0.31 -3.10 115.26 113.72 1ja1 n ASN 280 Ca -0.01 -2.76 -0.36 0.00 0.45 0.00 0.00 54.58 51.91 1ja1 n ASN 280 Cb 0.53 -0.63 0.03 0.00 1.23 0.00 0.00 39.78 40.94 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 -1.19 2.95 -0.15 1.20 0.04 -0.26 -0.98 135.00 136.62 1ja1 s PRO 281 Ca 0.35 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 1ja1 s PRO 281 Cb 0.14 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1ja1 s PRO 281 CO -0.11 -1.21 0.42 0.12 0.04 0.00 0.00 177.00 176.26 1ja1 s PHE 282 N -1.63 3.46 -0.80 0.56 2.19 0.10 -4.71 117.98 117.16 1ja1 s PHE 282 Ca 0.77 0.76 -0.24 0.00 0.33 0.00 0.00 56.93 58.55 1ja1 s PHE 282 Cb -0.30 -2.50 0.06 0.00 -1.31 0.00 0.00 43.02 38.97 1ja1 s PHE 282 CO 0.33 0.13 1.19 -0.51 1.83 0.00 0.00 175.22 178.20 1ja1 s LEU 283 N 0.78 3.90 0.04 6.12 1.02 -1.26 -0.45 118.68 128.82 1ja1 s LEU 283 Ca 0.22 -1.06 -0.24 0.00 0.02 0.00 0.00 54.13 53.08 1ja1 s LEU 283 Cb -0.14 -2.49 -0.06 0.00 0.02 0.00 0.00 46.19 43.52 1ja1 s LEU 283 CO 0.08 -1.53 0.72 0.00 0.02 0.00 0.00 176.35 175.63 1ja1 s ALA 284 N 4.61 3.41 0.16 4.21 0.00 -0.50 -4.70 121.76 128.94 1ja1 s ALA 284 Ca 0.33 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 1ja1 s ALA 284 Cb -0.09 -2.92 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 1ja1 s ALA 284 CO 0.05 0.11 1.04 0.00 0.00 0.00 0.00 175.76 176.96 1ja1 s ALA 285 N -0.16 3.33 -0.63 0.00 0.00 -1.23 0.36 121.76 123.43 1ja1 s ALA 285 Ca 0.36 0.72 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 1ja1 s ALA 285 Cb -0.20 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1ja1 s ALA 285 CO 0.21 -0.12 1.29 0.08 0.00 0.00 0.00 175.76 177.23 1ja1 s VAL 286 N -0.22 3.85 -0.01 0.00 1.01 0.18 -1.11 120.40 124.10 1ja1 s VAL 286 Ca 0.48 0.67 -0.21 0.00 0.00 0.00 0.00 61.98 62.93 1ja1 s VAL 286 Cb -0.27 -4.70 -0.23 0.00 0.00 0.00 0.00 36.38 31.18 1ja1 s VAL 286 CO 0.33 -1.45 1.09 0.71 0.00 0.00 0.00 175.10 175.78 1ja1 h THR 287 N 6.19 1.45 -3.95 3.92 1.35 -1.16 -3.32 112.91 117.38 1ja1 h THR 287 Ca -0.26 -2.02 -0.31 0.00 -0.55 0.00 0.00 66.41 63.27 1ja1 h THR 287 Cb 1.07 2.60 -0.24 0.00 -1.73 0.00 0.00 68.15 69.85 1ja1 h THR 287 CO 1.22 0.58 -0.75 0.00 -0.25 0.00 0.00 175.52 176.32 1ja1 s ALA 288 N -3.23 0.58 -0.34 6.62 0.00 -1.18 -4.68 121.76 119.54 1ja1 s ALA 288 Ca -0.14 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.25 1ja1 s ALA 288 Cb 0.03 -0.03 0.16 0.00 0.00 0.00 0.00 23.12 23.28 1ja1 s ALA 288 CO 0.80 0.04 0.41 1.21 0.00 0.00 0.00 175.76 178.23 1ja1 s ASN 289 N -1.07 0.55 0.09 0.00 3.84 -1.25 -1.08 114.94 116.02 1ja1 s ASN 289 Ca -0.05 -0.91 0.08 0.00 0.21 0.00 0.00 52.86 52.18 1ja1 s ASN 289 Cb -0.07 0.96 -0.03 0.00 -0.55 0.00 0.00 41.25 41.55 1ja1 s ASN 289 CO 0.00 -0.30 -0.20 0.00 -2.79 0.00 0.00 177.10 173.82 1ja1 s ARG 290 N 2.03 1.09 0.00 0.43 1.70 -0.21 -4.95 118.95 119.04 1ja1 s ARG 290 Ca 0.13 -1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 53.99 1ja1 s ARG 290 Cb -0.13 -1.29 -0.05 0.00 -0.57 0.00 0.00 34.95 32.91 1ja1 s ARG 290 CO -0.18 0.30 1.38 0.21 -1.08 0.00 0.00 175.30 175.93 1ja1 s LYS 291 N -1.81 4.30 -0.07 3.89 2.20 -1.26 -0.57 119.74 126.41 1ja1 s LYS 291 Ca 0.05 1.94 -0.06 0.00 -0.36 0.00 0.00 55.97 57.54 1ja1 s LYS 291 Cb -0.10 -3.54 -0.28 0.00 -1.51 0.00 0.00 37.83 32.40 1ja1 s LYS 291 CO 0.04 -0.54 0.56 -0.07 -0.36 0.00 0.00 175.35 174.97 1ja1 h LEU 292 N 8.19 0.44 -9.98 5.43 3.38 -0.16 -3.47 115.31 119.14 1ja1 h LEU 292 Ca -0.38 -0.81 -0.46 0.00 0.09 0.00 0.00 57.88 56.32 1ja1 h LEU 292 Cb 1.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1ja1 h LEU 292 CO 0.90 1.70 0.28 0.54 0.09 0.00 0.00 178.44 181.95 1ja1 s ASN 293 N -7.03 7.05 0.07 -0.43 4.22 -1.24 -4.60 114.94 112.98 1ja1 s ASN 293 Ca -0.17 1.65 -0.01 0.00 -2.14 0.00 0.00 52.86 52.18 1ja1 s ASN 293 Cb 0.06 -2.51 -0.27 0.00 1.28 0.00 0.00 41.25 39.81 1ja1 s ASN 293 CO 0.81 -0.21 1.12 1.56 -2.04 0.00 0.00 177.10 178.35 1ja1 h GLN 294 N 2.51 0.21 0.00 3.55 7.50 -1.59 -3.48 115.11 123.80 1ja1 h GLN 294 Ca -0.48 -0.35 -0.06 0.00 0.50 0.00 0.00 58.65 58.26 1ja1 h GLN 294 Cb 1.18 0.13 0.02 0.00 0.05 0.00 0.00 27.48 28.87 1ja1 h GLN 294 CO 0.63 1.14 0.05 0.41 -1.50 0.00 0.00 178.83 179.56 1ja1 n GLY 295 N 1.51 -0.64 0.21 3.46 0.00 0.64 -4.94 105.19 105.43 1ja1 n GLY 295 Ca -0.08 -1.76 0.02 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.06 0.22 -0.13 2.61 -2.24 -1.26 -4.70 114.28 106.72 1ja1 n THR 296 Ca 0.02 -0.61 -0.04 0.00 -2.27 0.00 0.00 64.05 61.15 1ja1 n THR 296 Cb 0.08 0.97 0.04 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.93 0.14 0.00 -0.78 5.08 -1.96 -3.45 114.58 114.54 1ja1 h GLU 297 Ca 0.00 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1ja1 h GLU 297 Cb 0.29 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1ja1 h GLU 297 CO 0.00 0.09 -0.13 0.54 -1.00 0.00 0.00 179.01 178.52 1ja1 n ARG 298 N -5.16 0.43 -3.85 2.33 1.74 -1.26 -5.14 116.66 105.75 1ja1 n ARG 298 Ca 0.03 -0.91 -0.29 0.00 -0.77 0.00 0.00 57.85 55.91 1ja1 n ARG 298 Cb 0.21 0.64 -0.16 0.00 -1.02 0.00 0.00 32.46 32.13 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 -2.18 1.69 -0.09 -1.55 5.65 -1.26 -4.95 115.29 112.60 1ja1 s HIS 299 Ca 0.08 -1.25 0.02 0.00 0.25 0.00 0.00 55.06 54.16 1ja1 s HIS 299 Cb 0.00 -1.30 -0.02 0.00 -1.18 0.00 0.00 32.58 30.09 1ja1 s HIS 299 CO 0.06 -0.67 -0.14 -0.51 -0.65 0.00 0.00 174.74 172.83 1ja1 s LEU 300 N 1.63 2.70 0.13 8.88 1.02 -1.26 -0.89 118.68 130.89 1ja1 s LEU 300 Ca -0.03 -0.27 0.06 0.00 0.02 0.00 0.00 54.13 53.91 1ja1 s LEU 300 Cb -0.17 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 1ja1 s LEU 300 CO -0.07 0.25 -0.14 0.00 0.02 0.00 0.00 176.35 176.42 1ja1 s MET 301 N -0.19 1.05 -0.16 1.70 0.23 0.46 0.60 119.30 123.00 1ja1 s MET 301 Ca -0.00 -1.29 0.01 0.00 -1.03 0.00 0.00 55.69 53.38 1ja1 s MET 301 Cb -0.13 -0.90 0.02 0.00 -1.53 0.00 0.00 34.83 32.29 1ja1 s MET 301 CO 0.03 0.17 -0.18 -1.58 -2.03 0.00 0.00 175.02 171.43 1ja1 s HIS 302 N -2.33 2.49 0.12 3.16 2.46 0.26 -1.34 115.29 120.12 1ja1 s HIS 302 Ca 0.11 -1.42 0.10 0.00 0.47 0.00 0.00 55.06 54.32 1ja1 s HIS 302 Cb -0.04 -1.76 -0.04 0.00 -0.13 0.00 0.00 32.58 30.62 1ja1 s HIS 302 CO 0.03 -0.72 -0.25 -0.51 -2.47 0.00 0.00 174.74 170.82 1ja1 s LEU 303 N 1.32 2.31 -0.14 8.88 1.02 0.01 -1.04 118.68 131.03 1ja1 s LEU 303 Ca 0.03 -0.73 0.00 0.00 0.02 0.00 0.00 54.13 53.46 1ja1 s LEU 303 Cb -0.13 -1.14 0.02 0.00 0.02 0.00 0.00 46.19 44.97 1ja1 s LEU 303 CO -0.11 0.15 -0.11 -1.61 0.02 0.00 0.00 176.35 174.69 1ja1 s GLU 304 N -1.98 1.97 -0.19 1.70 2.02 -0.24 -0.59 118.70 121.39 1ja1 s GLU 304 Ca 0.12 -0.45 -0.07 0.00 0.02 0.00 0.00 54.97 54.58 1ja1 s GLU 304 Cb -0.10 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.17 1ja1 s GLU 304 CO 0.05 -0.26 0.06 -0.51 0.02 0.00 0.00 175.26 174.62 1ja1 s LEU 305 N 1.57 3.75 -0.49 1.80 1.43 -0.51 -0.57 118.68 125.66 1ja1 s LEU 305 Ca 0.05 0.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 1ja1 s LEU 305 Cb -0.13 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1ja1 s LEU 305 CO -0.10 0.15 1.01 -0.62 0.23 0.00 0.00 176.35 177.02 1ja1 s ASP 306 N 0.52 6.50 -0.23 2.29 2.15 -0.27 -1.49 116.67 126.14 1ja1 s ASP 306 Ca 0.03 0.13 0.14 0.00 0.43 0.00 0.00 52.55 53.28 1ja1 s ASP 306 Cb -0.13 -2.48 0.71 0.00 -0.30 0.00 0.00 42.92 40.72 1ja1 s ASP 306 CO 0.01 -1.18 1.64 2.30 -0.17 0.00 0.00 175.17 177.78 1ja1 n ILE 307 N 6.53 2.63 -1.74 4.11 -5.35 -0.61 -3.57 119.36 121.35 1ja1 n ILE 307 Ca 0.07 -1.63 -0.42 0.00 -0.27 0.00 0.00 62.75 60.50 1ja1 n ILE 307 Cb 0.49 -0.28 -0.00 0.00 -1.74 0.00 0.00 39.64 38.10 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 0.11 3.41 0.00 7.28 7.64 -1.23 -2.02 113.62 128.81 1ja1 n SER 308 Ca 0.27 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.37 1ja1 n SER 308 Cb 1.12 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 0.73 -2.72 0.10 6.43 10.43 -1.26 -4.83 116.55 125.43 1ja1 n ASP 309 Ca 0.03 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.51 1ja1 n ASP 309 Cb 0.37 -1.70 0.04 0.00 1.84 0.00 0.00 41.12 41.68 1ja1 n ASP 309 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1ja1 h SER 310 N 0.00 0.00 -0.15 -2.24 4.64 -1.80 -3.48 113.55 110.52 1ja1 h SER 310 Ca 0.00 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1ja1 h SER 310 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1ja1 h SER 310 CO 0.00 0.03 -0.06 0.29 -0.87 0.00 0.00 176.83 176.22 1ja1 n LYS 311 N -2.54 -1.17 -2.56 4.77 5.02 -1.26 -4.65 118.16 115.77 1ja1 n LYS 311 Ca 0.01 0.47 -0.41 0.00 -2.02 0.00 0.00 58.31 56.36 1ja1 n LYS 311 Cb 0.52 -4.43 -0.04 0.00 -0.02 0.00 0.00 35.03 31.05 1ja1 n LYS 311 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ja1 s ILE 312 N -1.64 3.96 0.14 -0.18 1.01 -1.26 -5.03 121.20 118.20 1ja1 s ILE 312 Ca 0.00 1.70 0.07 0.00 0.00 0.00 0.00 60.65 62.43 1ja1 s ILE 312 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1ja1 s ILE 312 CO 0.00 0.30 -0.04 -0.13 0.00 0.00 0.00 174.94 175.07 1ja1 s ARG 313 N -0.41 2.31 0.12 2.79 0.52 -1.26 -5.03 118.95 117.99 1ja1 s ARG 313 Ca 0.48 -1.06 -0.24 0.00 -0.52 0.00 0.00 55.73 54.38 1ja1 s ARG 313 Cb -0.28 -2.35 0.08 0.00 0.52 0.00 0.00 34.95 32.92 1ja1 s ARG 313 CO 0.34 0.48 0.68 1.52 0.02 0.00 0.00 175.30 178.34 1ja1 s TYR 314 N -1.53 -0.47 0.06 -0.53 -0.85 -1.26 -4.94 117.35 107.83 1ja1 s TYR 314 Ca 0.25 0.27 0.03 0.00 -0.52 0.00 0.00 57.07 57.10 1ja1 s TYR 314 Cb -0.10 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 1ja1 s TYR 314 CO 0.17 -0.78 -0.09 -1.21 -1.52 0.00 0.00 175.55 172.11 1ja1 s GLU 315 N -3.59 0.64 0.22 -3.49 0.41 -1.26 -4.50 118.70 107.13 1ja1 s GLU 315 Ca 0.02 -0.90 -0.31 0.00 -0.41 0.00 0.00 54.97 53.38 1ja1 s GLU 315 Cb -0.01 -0.40 -0.15 0.00 -1.78 0.00 0.00 34.13 31.79 1ja1 s GLU 315 CO -0.11 0.07 1.16 0.43 -0.49 0.00 0.00 175.26 176.32 1ja1 n SER 316 N 1.17 1.56 0.00 -0.19 7.64 -1.26 -1.14 113.62 121.41 1ja1 n SER 316 Ca -0.21 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1ja1 n SER 316 Cb 0.56 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 1.82 2.95 3.77 0.23 0.00 -1.26 -4.68 105.19 108.01 1ja1 n GLY 317 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.23 1.91 0.12 1.61 1.01 -0.29 -4.52 116.67 115.27 1ja1 s ASP 318 Ca 0.00 0.38 0.10 0.00 0.71 0.00 0.00 52.55 53.74 1ja1 s ASP 318 Cb 0.00 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 1ja1 s ASP 318 CO 0.00 -3.49 -0.25 -1.00 0.21 0.00 0.00 175.17 170.64 1ja1 s HIS 319 N -3.50 2.16 -0.11 4.23 3.76 -0.74 -1.82 115.29 119.27 1ja1 s HIS 319 Ca 0.74 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.28 1ja1 s HIS 319 Cb -0.06 -1.18 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 1ja1 s HIS 319 CO 0.55 0.30 -0.21 0.54 -0.85 0.00 0.00 174.74 175.07 1ja1 s VAL 320 N -1.08 2.37 0.00 -0.90 0.11 -0.02 -0.81 120.40 120.08 1ja1 s VAL 320 Ca 0.12 -0.91 0.02 0.00 -2.93 0.00 0.00 61.98 58.28 1ja1 s VAL 320 Cb -0.10 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.78 1ja1 s VAL 320 CO 0.05 0.55 -0.02 0.00 -3.33 0.00 0.00 175.10 172.36 1ja1 s ALA 321 N 0.32 3.21 0.04 1.54 0.00 -0.02 -0.86 121.76 126.00 1ja1 s ALA 321 Ca -0.16 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 50.87 1ja1 s ALA 321 Cb -0.17 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.65 1ja1 s ALA 321 CO 0.08 0.64 -0.14 0.14 0.00 0.00 0.00 175.76 176.48 1ja1 s VAL 322 N -1.07 1.09 -0.45 0.00 -7.23 -0.21 -2.10 120.40 110.43 1ja1 s VAL 322 Ca 0.19 -1.01 -0.14 0.00 -1.81 0.00 0.00 61.98 59.22 1ja1 s VAL 322 Cb -0.11 -0.99 0.07 0.00 0.56 0.00 0.00 36.38 35.90 1ja1 s VAL 322 CO 0.10 -0.01 0.34 -0.31 -0.31 0.00 0.00 175.10 174.91 1ja1 s TYR 323 N -0.87 3.27 0.87 2.82 1.51 -0.58 -1.24 117.35 123.13 1ja1 s TYR 323 Ca 0.01 -1.07 -0.12 0.00 -1.01 0.00 0.00 57.07 54.89 1ja1 s TYR 323 Cb -0.08 -3.03 0.15 0.00 -0.11 0.00 0.00 41.96 38.88 1ja1 s TYR 323 CO 0.01 -0.79 1.21 -1.25 -1.11 0.00 0.00 175.55 173.62 1ja1 s PRO 324 N 1.58 1.25 -0.07 -1.71 0.04 -1.26 -4.52 135.00 130.31 1ja1 s PRO 324 Ca 0.04 -0.38 0.04 0.00 0.04 0.00 0.00 61.00 60.74 1ja1 s PRO 324 Cb -0.23 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 1ja1 s PRO 324 CO 0.06 -1.97 -0.20 0.00 0.04 0.00 0.00 177.00 174.93 1ja1 s ALA 325 N -3.64 1.83 0.92 8.56 0.00 -1.26 -4.74 121.76 123.43 1ja1 s ALA 325 Ca 0.69 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.73 1ja1 s ALA 325 Cb -0.06 -0.66 0.15 0.00 0.00 0.00 0.00 23.12 22.55 1ja1 s ALA 325 CO 0.50 0.28 1.10 -0.80 0.00 0.00 0.00 175.76 176.84 1ja1 s ASN 326 N 0.21 3.09 0.02 0.00 0.01 0.14 -4.79 114.94 113.63 1ja1 s ASN 326 Ca -0.11 1.79 -0.30 0.00 -0.71 0.00 0.00 52.86 53.53 1ja1 s ASN 326 Cb -0.15 -2.39 -0.08 0.00 0.41 0.00 0.00 41.25 39.04 1ja1 s ASN 326 CO 0.05 -2.93 1.82 -0.62 -1.51 0.00 0.00 177.10 173.91 1ja1 s ASP 327 N -3.03 6.53 0.33 -1.22 -1.08 -1.26 -4.89 116.67 112.06 1ja1 s ASP 327 Ca 0.65 2.53 0.04 0.00 -0.52 0.00 0.00 52.55 55.25 1ja1 s ASP 327 Cb -0.20 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.36 1ja1 s ASP 327 CO 0.58 -0.99 1.93 0.77 0.52 0.00 0.00 175.17 177.98 1ja1 h SER 328 N 9.77 0.78 -0.46 -0.34 4.64 -1.99 -1.59 113.55 124.35 1ja1 h SER 328 Ca -0.45 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1ja1 h SER 328 Cb 1.21 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1ja1 h SER 328 CO 0.94 0.49 0.25 0.00 -0.87 0.00 0.00 176.83 177.64 1ja1 h ALA 329 N 1.56 0.60 -0.51 5.18 0.00 -1.99 0.75 119.26 124.84 1ja1 h ALA 329 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ja1 h ALA 329 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ja1 h ALA 329 CO -0.13 0.13 0.29 1.25 0.00 0.00 0.00 179.25 180.78 1ja1 h LEU 330 N 0.61 0.64 -0.35 0.00 5.85 -1.76 -1.12 115.31 119.18 1ja1 h LEU 330 Ca 0.16 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1ja1 h LEU 330 Cb 0.07 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ja1 h LEU 330 CO -0.02 0.54 0.21 0.58 -0.34 0.00 0.00 178.44 179.40 1ja1 h VAL 331 N 0.69 1.12 -0.52 1.05 2.07 -0.89 -2.60 116.25 117.17 1ja1 h VAL 331 Ca 0.18 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1ja1 h VAL 331 Cb 0.03 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1ja1 h VAL 331 CO -0.03 0.12 0.24 0.78 0.02 0.00 0.00 177.57 178.70 1ja1 h ASN 332 N 0.45 0.32 -0.44 0.57 -0.26 -0.46 -2.62 115.58 113.14 1ja1 h ASN 332 Ca 0.12 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 1ja1 h ASN 332 Cb 0.01 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1ja1 h ASN 332 CO -0.02 0.22 0.13 1.56 -1.06 0.00 0.00 177.43 178.26 1ja1 h GLN 333 N 0.47 0.75 -0.26 0.81 4.20 -1.02 -0.48 115.11 119.58 1ja1 h GLN 333 Ca 0.24 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1ja1 h GLN 333 Cb 0.18 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1ja1 h GLN 333 CO -0.19 0.67 0.09 0.82 -0.67 0.00 0.00 178.83 179.55 1ja1 h ILE 334 N 0.73 1.19 -0.56 2.54 2.04 -1.12 0.27 117.51 122.60 1ja1 h ILE 334 Ca 0.17 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1ja1 h ILE 334 Cb 0.25 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1ja1 h ILE 334 CO -0.00 0.20 0.32 1.23 0.00 0.00 0.00 178.15 179.90 1ja1 h GLY 335 N 0.26 0.83 0.97 5.37 0.00 -1.13 -2.53 103.07 106.84 1ja1 h GLY 335 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1ja1 h GLY 335 CO -0.00 0.35 -0.09 -2.09 0.00 0.00 0.00 176.54 174.70 1ja1 h GLU 336 N 0.76 -0.25 0.00 4.80 4.81 -0.83 -0.51 114.58 123.36 1ja1 h GLU 336 Ca 0.20 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1ja1 h GLU 336 Cb 0.02 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ja1 h GLU 336 CO -0.03 -0.14 -0.04 0.97 -0.73 0.00 0.00 179.01 179.03 1ja1 h ILE 337 N -0.29 0.19 -0.02 2.32 2.10 -0.88 -0.85 117.51 120.07 1ja1 h ILE 337 Ca -0.03 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.54 1ja1 h ILE 337 Cb 0.23 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 1ja1 h ILE 337 CO 0.04 0.04 -0.07 0.18 -1.08 0.00 0.00 178.15 177.26 1ja1 n LEU 338 N -3.26 2.42 -2.08 2.19 4.77 -0.96 -4.94 117.00 115.14 1ja1 n LEU 338 Ca -0.01 -0.81 -0.20 0.00 -0.03 0.00 0.00 56.01 54.95 1ja1 n LEU 338 Cb 0.21 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1ja1 n LEU 338 CO 0.26 0.41 -0.24 0.61 -1.33 0.00 0.00 177.39 177.10 1ja1 n GLY 339 N 1.32 0.23 3.89 -0.72 0.00 -0.33 -4.90 105.19 104.69 1ja1 n GLY 339 Ca 0.15 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.93 3.87 -0.48 4.61 0.00 -0.30 -5.02 121.76 121.51 1ja1 s ALA 340 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.10 1ja1 s ALA 340 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 21.12 1ja1 s ALA 340 CO 0.00 0.69 0.81 0.34 0.00 0.00 0.00 175.76 177.60 1ja1 s ASP 341 N -2.01 6.37 0.29 0.00 3.68 -1.26 -4.56 116.67 119.19 1ja1 s ASP 341 Ca 0.32 -0.25 0.25 0.00 2.13 0.00 0.00 52.55 55.00 1ja1 s ASP 341 Cb -0.13 -2.39 0.99 0.00 -1.45 0.00 0.00 42.92 39.94 1ja1 s ASP 341 CO 0.20 -1.00 1.76 -0.07 0.13 0.00 0.00 175.17 176.19 1ja1 h LEU 342 N 10.32 0.00 -1.33 -1.34 3.38 -1.96 -3.08 115.31 121.29 1ja1 h LEU 342 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ja1 h LEU 342 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ja1 h LEU 342 CO 0.99 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.99 1ja1 n ASP 343 N -2.38 1.97 -4.73 -0.43 10.43 -1.26 -1.19 116.55 118.96 1ja1 n ASP 343 Ca 0.02 -1.86 -0.42 0.00 2.57 0.00 0.00 54.79 55.11 1ja1 n ASP 343 Cb 0.28 -0.19 -0.03 0.00 1.84 0.00 0.00 41.12 43.02 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 -1.63 3.12 -0.15 2.53 1.01 -1.16 -4.89 120.40 119.23 1ja1 s VAL 344 Ca 0.30 0.85 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 1ja1 s VAL 344 Cb 0.16 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1ja1 s VAL 344 CO 0.23 0.09 0.53 -0.63 0.00 0.00 0.00 175.10 175.32 1ja1 s ILE 345 N 0.66 5.13 0.36 2.22 1.01 -1.26 -3.21 121.20 126.11 1ja1 s ILE 345 Ca 0.62 1.03 -0.07 0.00 0.00 0.00 0.00 60.65 62.23 1ja1 s ILE 345 Cb -0.38 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1ja1 s ILE 345 CO 0.34 0.25 0.59 0.00 0.00 0.00 0.00 174.94 176.12 1ja1 s MET 346 N 1.10 2.05 0.00 2.79 0.23 0.02 -0.95 119.30 124.55 1ja1 s MET 346 Ca 0.27 -1.67 -0.02 0.00 -1.03 0.00 0.00 55.69 53.24 1ja1 s MET 346 Cb -0.16 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.65 1ja1 s MET 346 CO 0.11 -0.89 0.03 -1.12 -2.03 0.00 0.00 175.02 171.12 1ja1 s SER 347 N -3.19 0.09 -0.29 -1.18 0.01 -0.40 -0.93 113.70 107.82 1ja1 s SER 347 Ca 0.25 -0.22 -0.02 0.00 1.31 0.00 0.00 55.95 57.28 1ja1 s SER 347 Cb -0.02 0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.37 1ja1 s SER 347 CO 0.18 -0.21 -0.01 -0.76 0.41 0.00 0.00 173.24 172.85 1ja1 s LEU 348 N -0.88 3.76 -0.16 2.44 1.43 -1.26 -1.34 118.68 122.66 1ja1 s LEU 348 Ca -0.10 -1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 51.77 1ja1 s LEU 348 Cb -0.06 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1ja1 s LEU 348 CO -0.00 -0.23 0.01 0.20 0.23 0.00 0.00 176.35 176.56 1ja1 s ASN 349 N 1.27 5.23 0.12 2.29 0.01 -0.31 -4.22 114.94 119.33 1ja1 s ASN 349 Ca -0.04 -0.00 -0.35 0.00 -0.71 0.00 0.00 52.86 51.76 1ja1 s ASN 349 Cb -0.19 -1.84 -0.15 0.00 0.41 0.00 0.00 41.25 39.48 1ja1 s ASN 349 CO -0.02 0.19 1.52 -3.20 -1.51 0.00 0.00 177.10 174.09 1ja1 n ASN 350 N 3.38 2.65 0.00 -1.22 4.05 -0.72 -0.33 115.26 123.08 1ja1 n ASN 350 Ca -0.17 1.09 0.10 0.00 0.45 0.00 0.00 54.58 56.05 1ja1 n ASN 350 Cb 0.52 -1.35 0.48 0.00 1.23 0.00 0.00 39.78 40.67 1ja1 n ASN 350 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1ja1 n LEU 351 N 3.34 0.00 -4.28 1.20 4.77 -0.03 -4.17 117.00 117.84 1ja1 n LEU 351 Ca 0.18 0.41 -0.44 0.00 -0.03 0.00 0.00 56.01 56.13 1ja1 n LEU 351 Cb 0.25 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1ja1 n LEU 351 CO 0.64 -0.12 0.19 -0.62 -1.33 0.00 0.00 177.39 176.15 1ja1 s ASP 352 N -2.82 6.19 0.28 -1.43 3.68 -1.26 -4.92 116.67 116.38 1ja1 s ASP 352 Ca 0.14 -2.19 0.20 0.00 2.13 0.00 0.00 52.55 52.83 1ja1 s ASP 352 Cb 0.14 -2.14 1.04 0.00 -1.45 0.00 0.00 42.92 40.51 1ja1 s ASP 352 CO 0.36 -0.69 1.61 -0.62 0.13 0.00 0.00 175.17 175.96 1ja1 n GLU 353 N 4.62 0.14 0.11 4.34 1.02 -1.26 -2.10 120.64 127.51 1ja1 n GLU 353 Ca -0.02 0.58 0.02 0.00 -0.02 0.00 0.00 57.16 57.73 1ja1 n GLU 353 Cb 0.42 -1.90 -0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1ja1 n GLU 353 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ja1 h GLU 354 N 0.00 0.00 -7.00 3.49 4.39 -1.93 -3.47 114.58 110.07 1ja1 h GLU 354 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 1ja1 h GLU 354 Cb 0.07 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.79 1ja1 h GLU 354 CO 0.00 0.42 0.51 0.45 -1.16 0.00 0.00 179.01 179.23 1ja1 s SER 355 N -6.25 6.12 0.14 1.42 0.15 -0.89 -4.92 113.70 109.47 1ja1 s SER 355 Ca 0.02 2.39 0.27 0.00 0.70 0.00 0.00 55.95 59.32 1ja1 s SER 355 Cb 0.08 -2.61 0.86 0.00 -1.71 0.00 0.00 66.02 62.64 1ja1 s SER 355 CO 0.76 -0.96 1.76 0.59 1.20 0.00 0.00 173.24 176.59 1ja1 n ASN 356 N -0.43 0.59 -4.48 5.45 3.02 -1.26 -4.37 115.26 113.77 1ja1 n ASN 356 Ca 0.07 0.48 -0.44 0.00 -0.03 0.00 0.00 54.58 54.67 1ja1 n ASN 356 Cb 0.47 -0.59 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 1ja1 n ASN 356 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ja1 s LYS 357 N -3.08 3.86 0.37 3.52 2.20 -1.26 -4.82 119.74 120.53 1ja1 s LYS 357 Ca 0.11 -2.09 0.15 0.00 -0.36 0.00 0.00 55.97 53.78 1ja1 s LYS 357 Cb 0.14 -5.09 0.72 0.00 -1.51 0.00 0.00 37.83 32.09 1ja1 s LYS 357 CO 0.60 -1.87 1.79 0.87 -0.36 0.00 0.00 175.35 176.39 1ja1 h LYS 358 N 8.04 0.00 -4.00 4.03 1.79 -1.95 -3.41 116.57 121.07 1ja1 h LYS 358 Ca 0.26 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.63 1ja1 h LYS 358 Cb 0.94 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.45 1ja1 h LYS 358 CO 1.24 0.39 -0.47 -1.01 -1.08 0.00 0.00 179.45 178.52 1ja1 s HIS 359 N -3.96 0.36 -0.48 -1.35 3.76 -1.26 -1.75 115.29 110.61 1ja1 s HIS 359 Ca -0.02 -0.81 0.26 0.00 -0.15 0.00 0.00 55.06 54.34 1ja1 s HIS 359 Cb 0.13 -0.19 0.72 0.00 1.11 0.00 0.00 32.58 34.35 1ja1 s HIS 359 CO 0.71 -0.53 1.73 -1.00 -0.85 0.00 0.00 174.74 174.80 1ja1 h PRO 360 N 2.83 0.00 -2.37 8.40 0.13 -1.89 -3.47 132.00 135.63 1ja1 h PRO 360 Ca -0.34 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.96 1ja1 h PRO 360 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1ja1 h PRO 360 CO 0.58 0.00 0.47 -0.59 -0.23 0.00 0.00 178.00 178.23 1ja1 s PHE 361 N -3.24 -0.16 -0.06 1.56 -0.71 -1.26 -4.96 117.98 109.15 1ja1 s PHE 361 Ca 0.07 -0.14 -0.38 0.00 -1.04 0.00 0.00 56.93 55.45 1ja1 s PHE 361 Cb 0.09 0.63 -0.16 0.00 -1.21 0.00 0.00 43.02 42.37 1ja1 s PHE 361 CO 0.60 -0.82 1.54 -2.30 -1.34 0.00 0.00 175.22 172.89 1ja1 n PRO 362 N -0.45 1.24 -4.06 1.99 -0.02 -1.26 -4.95 135.00 127.48 1ja1 n PRO 362 Ca -0.06 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 1ja1 n PRO 362 Cb 0.61 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.50 2.78 0.15 0.00 0.04 -1.26 -4.89 135.00 129.32 1ja1 s PRO 364 Ca -0.04 1.30 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 1ja1 s PRO 364 Cb -0.03 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.62 1ja1 s PRO 364 CO -0.03 -1.25 0.93 -0.08 0.04 0.00 0.00 177.00 176.61 1ja1 s THR 365 N -2.50 0.00 0.39 1.26 -1.32 -0.10 -0.52 115.64 112.84 1ja1 s THR 365 Ca 0.65 -0.62 -0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1ja1 s THR 365 Cb -0.19 -1.89 -0.03 0.00 -1.51 0.00 0.00 72.50 68.87 1ja1 s THR 365 CO 0.44 0.00 0.62 0.42 -2.21 0.00 0.00 174.62 173.89 1ja1 s THR 366 N -3.32 5.04 0.27 5.08 -4.23 -1.26 -0.80 115.64 116.42 1ja1 s THR 366 Ca 0.11 -0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.33 1ja1 s THR 366 Cb -0.02 -3.86 0.26 0.00 1.34 0.00 0.00 72.50 70.22 1ja1 s THR 366 CO 0.01 -0.65 1.94 1.88 -0.54 0.00 0.00 174.62 177.27 1ja1 h TYR 367 N 0.60 1.18 -0.16 3.99 0.05 -1.42 -1.75 116.97 119.46 1ja1 h TYR 367 Ca -0.49 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.34 1ja1 h TYR 367 Cb 1.21 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 38.53 1ja1 h TYR 367 CO 0.53 0.75 0.03 -0.09 -1.05 0.00 0.00 178.16 178.33 1ja1 h ARG 368 N 1.28 0.09 -0.84 4.88 2.43 -1.48 0.28 114.38 121.03 1ja1 h ARG 368 Ca 0.34 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1ja1 h ARG 368 Cb -0.15 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.34 1ja1 h ARG 368 CO -0.07 0.06 0.44 1.15 -1.51 0.00 0.00 179.97 180.04 1ja1 h THR 369 N 0.10 1.25 -0.25 0.20 2.02 -1.74 -0.80 112.91 113.68 1ja1 h THR 369 Ca 0.07 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1ja1 h THR 369 Cb 0.07 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1ja1 h THR 369 CO -0.10 0.29 0.04 0.00 0.37 0.00 0.00 175.52 176.12 1ja1 h ALA 370 N 1.24 0.34 0.00 6.16 0.00 -0.88 0.06 119.26 126.17 1ja1 h ALA 370 Ca 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ja1 h ALA 370 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ja1 h ALA 370 CO -0.04 0.02 -0.13 -0.07 0.00 0.00 0.00 179.25 179.03 1ja1 h LEU 371 N 0.23 0.00 0.09 0.00 3.38 -0.75 0.10 115.31 118.36 1ja1 h LEU 371 Ca 0.08 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 1ja1 h LEU 371 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ja1 h LEU 371 CO 0.00 0.13 -1.33 0.74 0.09 0.00 0.00 178.44 178.07 1ja1 h THR 372 N 0.00 1.05 0.00 0.22 2.02 -0.79 -3.41 112.91 112.00 1ja1 h THR 372 Ca -0.00 -2.36 -0.02 0.00 0.77 0.00 0.00 66.41 64.80 1ja1 h THR 372 Cb 0.52 2.68 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1ja1 h THR 372 CO 0.02 0.65 -1.30 -1.22 0.37 0.00 0.00 175.52 174.04 1ja1 n TYR 373 N -4.01 0.00 0.10 3.16 4.01 -0.02 -0.68 117.16 119.71 1ja1 n TYR 373 Ca -0.25 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.55 1ja1 n TYR 373 Cb 0.85 -0.17 -0.09 0.00 -0.31 0.00 0.00 39.34 39.63 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 -1.80 0.00 -4.70 -0.72 4.01 -0.58 -4.70 117.16 108.66 1ja1 n TYR 374 Ca -0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.40 1ja1 n TYR 374 Cb 0.25 -0.22 -0.13 0.00 -0.31 0.00 0.00 39.34 38.94 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 -3.58 2.64 -0.46 7.72 1.43 -0.08 -0.48 118.68 125.87 1ja1 s LEU 375 Ca -0.03 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 52.44 1ja1 s LEU 375 Cb 0.08 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.79 1ja1 s LEU 375 CO 0.48 0.27 0.90 -0.62 0.23 0.00 0.00 176.35 177.62 1ja1 s ASP 376 N -1.32 6.49 -0.04 2.29 3.68 0.26 -4.40 116.67 123.64 1ja1 s ASP 376 Ca 0.14 0.11 0.08 0.00 2.13 0.00 0.00 52.55 55.01 1ja1 s ASP 376 Cb -0.11 -2.44 0.21 0.00 -1.45 0.00 0.00 42.92 39.14 1ja1 s ASP 376 CO 0.05 -1.02 1.16 2.30 0.13 0.00 0.00 175.17 177.79 1ja1 n ILE 377 N 6.36 1.26 -0.01 4.11 -5.35 -1.26 -4.47 119.36 120.01 1ja1 n ILE 377 Ca 0.06 -1.26 -0.00 0.00 -0.27 0.00 0.00 62.75 61.27 1ja1 n ILE 377 Cb 0.48 0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 38.69 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 -0.24 0.08 -2.60 7.28 -2.24 -1.26 -4.05 114.28 111.26 1ja1 n THR 378 Ca 0.09 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.48 1ja1 n THR 378 Cb 0.44 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.94 6.77 0.19 3.42 0.01 -1.26 -4.37 114.94 116.76 1ja1 s ASN 379 Ca -0.01 1.62 -0.33 0.00 -0.71 0.00 0.00 52.86 53.44 1ja1 s ASN 379 Cb 0.01 -2.52 -0.13 0.00 0.41 0.00 0.00 41.25 39.01 1ja1 s ASN 379 CO 0.07 -0.48 1.63 -2.65 -1.51 0.00 0.00 177.10 174.16 1ja1 n PRO 380 N -1.14 2.43 -1.80 -0.60 -0.02 -1.26 -4.52 135.00 128.08 1ja1 n PRO 380 Ca 0.07 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 1ja1 n PRO 380 Cb 0.54 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1ja1 n PRO 380 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ja1 s PRO 381 N 0.90 4.01 0.82 0.52 0.02 -1.26 -4.99 135.00 135.03 1ja1 s PRO 381 Ca 0.76 2.54 -0.11 0.00 0.02 0.00 0.00 61.00 64.21 1ja1 s PRO 381 Cb -0.60 -2.90 0.08 0.00 0.02 0.00 0.00 34.50 31.11 1ja1 s PRO 381 CO 0.36 -0.60 1.09 1.03 -0.33 0.00 0.00 177.00 178.56 1ja1 s ARG 382 N -2.17 1.87 0.42 5.54 1.81 -1.26 -4.84 118.95 120.30 1ja1 s ARG 382 Ca 0.55 0.95 0.08 0.00 -1.72 0.00 0.00 55.73 55.58 1ja1 s ARG 382 Cb -0.46 -1.87 0.89 0.00 -0.45 0.00 0.00 34.95 33.06 1ja1 s ARG 382 CO 0.62 -1.85 2.05 1.79 -0.68 0.00 0.00 175.30 177.23 1ja1 h THR 383 N -1.27 1.10 -0.02 0.02 1.35 -1.94 -2.04 112.91 110.11 1ja1 h THR 383 Ca -0.46 -0.22 -0.13 0.00 -0.55 0.00 0.00 66.41 65.04 1ja1 h THR 383 Cb 1.26 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 1ja1 h THR 383 CO 0.54 0.11 -0.58 -0.55 -0.25 0.00 0.00 175.52 174.78 1ja1 h ASN 384 N 0.48 0.07 -0.24 5.36 -0.00 -1.95 -0.43 115.58 118.87 1ja1 h ASN 384 Ca 0.13 -0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 56.33 1ja1 h ASN 384 Cb -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.27 1ja1 h ASN 384 CO -0.02 0.64 -0.07 0.58 -0.00 0.00 0.00 177.43 178.55 1ja1 h VAL 385 N 0.05 1.29 -0.43 6.14 2.07 -1.74 -0.89 116.25 122.73 1ja1 h VAL 385 Ca -0.01 -1.08 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 1ja1 h VAL 385 Cb 1.04 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1ja1 h VAL 385 CO 0.08 0.34 -0.05 -0.07 0.02 0.00 0.00 177.57 177.88 1ja1 h LEU 386 N 0.20 0.71 -0.45 2.57 3.38 -1.36 -1.32 115.31 119.05 1ja1 h LEU 386 Ca 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1ja1 h LEU 386 Cb 0.54 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1ja1 h LEU 386 CO 0.03 0.82 0.24 0.22 0.09 0.00 0.00 178.44 179.84 1ja1 h TYR 387 N 0.68 0.63 -0.01 1.13 5.03 -0.85 -1.48 116.97 122.10 1ja1 h TYR 387 Ca 0.13 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 1ja1 h TYR 387 Cb 0.50 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 1ja1 h TYR 387 CO 0.02 0.48 -0.54 0.93 -1.32 0.00 0.00 178.16 177.73 1ja1 h GLU 388 N 0.59 0.02 0.00 1.82 4.39 -0.88 -3.03 114.58 117.49 1ja1 h GLU 388 Ca 0.16 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 1ja1 h GLU 388 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1ja1 h GLU 388 CO -0.02 0.55 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.97 1ja1 h LEU 389 N 0.01 0.00 -1.08 1.33 3.38 -0.88 -3.32 115.31 114.75 1ja1 h LEU 389 Ca -0.00 0.00 0.29 0.00 0.09 0.00 0.00 57.88 58.25 1ja1 h LEU 389 Cb 0.96 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1ja1 h LEU 389 CO 0.07 0.34 0.61 0.00 0.09 0.00 0.00 178.44 179.55 1ja1 h ALA 390 N 1.66 1.98 0.00 1.53 0.00 -1.15 0.11 119.26 123.40 1ja1 h ALA 390 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ja1 h ALA 390 Cb 1.01 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ja1 h ALA 390 CO 0.04 -0.51 0.02 -0.56 0.00 0.00 0.00 179.25 178.25 1ja1 h GLN 391 N 0.43 0.00 -0.39 0.00 3.07 -1.78 -1.62 115.11 114.82 1ja1 h GLN 391 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.42 1ja1 h GLN 391 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.08 1ja1 h GLN 391 CO -0.49 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.09 1ja1 n TYR 392 N -2.76 0.50 -3.35 0.06 4.01 0.40 -4.82 117.16 111.20 1ja1 n TYR 392 Ca -0.02 -0.25 -0.42 0.00 -0.16 0.00 0.00 57.90 57.05 1ja1 n TYR 392 Cb 0.08 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.50 3.46 -0.29 -0.72 0.00 -0.61 -2.04 121.76 120.06 1ja1 s ALA 393 Ca 0.39 -1.36 0.28 0.00 0.00 0.00 0.00 51.96 51.27 1ja1 s ALA 393 Cb 0.23 -2.95 0.92 0.00 0.00 0.00 0.00 23.12 21.31 1ja1 s ALA 393 CO 0.31 -1.35 1.80 0.66 0.00 0.00 0.00 175.76 177.18 1ja1 h SER 394 N 8.60 0.00 -3.51 0.00 4.64 -1.76 -3.40 113.55 118.13 1ja1 h SER 394 Ca -0.28 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.43 1ja1 h SER 394 Cb 1.13 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.10 1ja1 h SER 394 CO 0.75 0.00 0.18 -0.70 -0.87 0.00 0.00 176.83 176.19 1ja1 s GLU 395 N -3.39 3.96 0.23 4.77 2.56 -1.26 -4.97 118.70 120.61 1ja1 s GLU 395 Ca 0.05 0.39 -0.12 0.00 0.00 0.00 0.00 54.97 55.29 1ja1 s GLU 395 Cb 0.08 -3.71 0.31 0.00 2.00 0.00 0.00 34.13 32.82 1ja1 s GLU 395 CO 0.56 -0.54 1.60 -1.35 -0.56 0.00 0.00 175.26 174.97 1ja1 h PRO 396 N 8.10 -0.01 -0.36 4.30 0.11 -2.00 -0.36 132.00 141.80 1ja1 h PRO 396 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1ja1 h PRO 396 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1ja1 h PRO 396 CO 0.80 -0.01 0.18 0.66 -0.21 0.00 0.00 178.00 179.43 1ja1 h SER 397 N -0.01 0.43 -0.03 -2.05 4.64 -1.96 -0.19 113.55 114.39 1ja1 h SER 397 Ca 0.37 -0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 61.42 1ja1 h SER 397 Cb 0.57 -0.11 0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1ja1 h SER 397 CO -0.80 0.36 -0.91 -0.33 -0.87 0.00 0.00 176.83 174.28 1ja1 h GLU 398 N 0.49 0.66 -0.91 4.77 5.08 -1.49 -1.96 114.58 121.22 1ja1 h GLU 398 Ca 0.13 -0.68 0.02 0.00 -1.00 0.00 0.00 59.36 57.82 1ja1 h GLU 398 Cb 0.04 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1ja1 h GLU 398 CO -0.02 1.27 0.60 0.37 -1.00 0.00 0.00 179.01 180.24 1ja1 h GLN 399 N 0.32 1.17 -0.20 2.33 4.15 -0.72 -2.00 115.11 120.17 1ja1 h GLN 399 Ca -0.11 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 1ja1 h GLN 399 Cb 1.57 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 1ja1 h GLN 399 CO 0.18 0.78 0.07 1.49 -1.93 0.00 0.00 178.83 179.42 1ja1 h GLU 400 N 1.21 0.31 -0.68 1.69 4.57 -0.97 -1.05 114.58 119.65 1ja1 h GLU 400 Ca 0.34 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.50 1ja1 h GLU 400 Cb -0.09 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.40 1ja1 h GLU 400 CO -0.09 0.39 0.42 0.45 -1.18 0.00 0.00 179.01 179.00 1ja1 h HIS 401 N 0.16 0.79 -0.58 0.92 3.86 -1.08 -0.90 115.15 118.32 1ja1 h HIS 401 Ca 0.07 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1ja1 h HIS 401 Cb 0.20 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1ja1 h HIS 401 CO -0.00 0.44 0.14 -0.07 0.86 0.00 0.00 177.93 179.29 1ja1 h LEU 402 N 0.82 0.88 -0.87 2.43 3.38 -1.22 -2.76 115.31 117.96 1ja1 h LEU 402 Ca 0.28 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1ja1 h LEU 402 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1ja1 h LEU 402 CO -0.12 0.89 0.12 -0.74 0.09 0.00 0.00 178.44 178.68 1ja1 h HIS 403 N 0.84 1.00 -0.00 1.13 2.76 -0.80 -2.91 115.15 117.16 1ja1 h HIS 403 Ca 0.18 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1ja1 h HIS 403 Cb 0.36 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1ja1 h HIS 403 CO 0.03 0.84 -0.00 1.63 -1.30 0.00 0.00 177.93 179.12 1ja1 n LYS 404 N -4.24 0.88 0.26 5.26 5.02 -0.38 -3.76 118.16 121.20 1ja1 n LYS 404 Ca 0.04 -0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.42 1ja1 n LYS 404 Cb 0.26 -1.50 0.71 0.00 -0.02 0.00 0.00 35.03 34.48 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 0.07 0.00 -0.33 1.97 2.86 -1.28 -2.26 114.93 115.95 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 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1ja1 h MET 405 CO 0.00 0.11 0.00 0.00 1.06 0.00 0.00 176.91 178.08 1ja1 n ALA 406 N -2.34 2.53 -1.77 6.32 0.00 -1.25 -4.66 120.51 119.34 1ja1 n ALA 406 Ca -0.02 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 1ja1 n ALA 406 Cb 0.21 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.91 6.17 0.00 0.00 0.01 -0.85 -4.93 113.70 113.20 1ja1 s SER 407 Ca 0.17 2.41 0.28 0.00 1.31 0.00 0.00 55.95 60.13 1ja1 s SER 407 Cb 0.10 -2.61 1.14 0.00 0.21 0.00 0.00 66.02 64.86 1ja1 s SER 407 CO 0.11 -0.93 1.80 -1.54 0.41 0.00 0.00 173.24 173.10 1ja1 n SER 408 N -0.34 0.69 -3.66 2.44 3.41 -1.26 -4.44 113.62 110.45 1ja1 n SER 408 Ca 0.06 -0.78 -0.02 0.00 -0.26 0.00 0.00 58.87 57.88 1ja1 n SER 408 Cb 0.47 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 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 -2.39 -0.11 0.00 4.04 1.04 -1.26 -4.94 113.70 110.07 1ja1 s SER 409 Ca 0.30 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1ja1 s SER 409 Cb 0.20 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1ja1 s SER 409 CO 0.46 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1ja1 n GLY 410 N -0.53 -2.00 0.28 7.32 0.00 -1.26 -4.10 105.19 104.90 1ja1 n GLY 410 Ca -0.06 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.33 1ja1 n GLY 410 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1ja1 h GLU 411 N 0.00 0.45 -0.75 1.61 -0.00 -1.98 -1.99 114.58 111.91 1ja1 h GLU 411 Ca 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.36 59.24 1ja1 h GLU 411 Cb 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 28.75 28.64 1ja1 h GLU 411 CO 0.00 0.43 0.28 0.78 -0.00 0.00 0.00 179.01 180.50 1ja1 h GLY 412 N 0.69 1.21 0.80 1.06 0.00 -1.78 0.21 103.07 105.26 1ja1 h GLY 412 Ca 0.10 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 1ja1 h GLY 412 CO -0.00 0.63 -0.18 1.70 0.00 0.00 0.00 176.54 178.70 1ja1 h LYS 413 N 1.09 0.44 -0.88 4.80 3.64 -1.60 -2.08 116.57 121.98 1ja1 h LYS 413 Ca 0.25 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ja1 h LYS 413 Cb 0.24 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1ja1 h LYS 413 CO -0.02 0.79 0.50 0.93 -2.27 0.00 0.00 179.45 179.39 1ja1 h GLU 414 N 0.09 1.22 -0.52 1.90 5.08 -1.17 -0.60 114.58 120.58 1ja1 h GLU 414 Ca 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1ja1 h GLU 414 Cb 0.71 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1ja1 h GLU 414 CO 0.04 0.88 0.23 1.25 -1.00 0.00 0.00 179.01 180.41 1ja1 h LEU 415 N 1.23 0.70 0.01 1.33 5.85 -0.49 -1.41 115.31 122.53 1ja1 h LEU 415 Ca 0.31 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1ja1 h LEU 415 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1ja1 h LEU 415 CO -0.05 0.65 -0.01 0.22 -0.34 0.00 0.00 178.44 178.91 1ja1 h TYR 416 N 0.70 -0.02 -0.71 1.25 3.20 -0.83 0.35 116.97 120.92 1ja1 h TYR 416 Ca 0.18 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.05 1ja1 h TYR 416 Cb 0.16 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1ja1 h TYR 416 CO 0.00 0.02 0.47 -0.07 -1.64 0.00 0.00 178.16 176.93 1ja1 h LEU 417 N -0.05 0.82 0.00 2.82 3.38 -0.94 -1.77 115.31 119.57 1ja1 h LEU 417 Ca -0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1ja1 h LEU 417 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ja1 h LEU 417 CO 0.00 0.59 -0.96 -1.54 0.09 0.00 0.00 178.44 176.63 1ja1 n SER 418 N -4.42 1.84 0.12 -0.43 3.41 -0.55 -0.24 113.62 113.35 1ja1 n SER 418 Ca 0.07 0.52 -0.01 0.00 -0.26 0.00 0.00 58.87 59.19 1ja1 n SER 418 Cb 0.04 -0.91 0.23 0.00 -0.26 0.00 0.00 64.21 63.32 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 -1.00 0.18 0.00 7.33 7.01 -0.41 -0.75 115.95 128.31 1ja1 h TRP 419 Ca -0.19 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.76 1ja1 h TRP 419 Cb 0.93 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.95 1ja1 h TRP 419 CO -0.08 0.58 -0.62 0.28 -2.79 0.00 0.00 178.44 175.81 1ja1 n VAL 420 N -3.99 0.99 0.19 2.65 0.31 -0.88 -4.45 118.33 113.15 1ja1 n VAL 420 Ca -0.02 0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.46 1ja1 n VAL 420 Cb 0.50 -2.02 -0.07 0.00 -0.91 0.00 0.00 33.84 31.34 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 -0.62 0.37 -0.41 2.52 2.07 -1.44 -0.87 116.25 117.88 1ja1 h VAL 421 Ca 0.00 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1ja1 h VAL 421 Cb 0.62 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1ja1 h VAL 421 CO 0.00 0.08 0.27 -0.08 0.02 0.00 0.00 177.57 177.86 1ja1 h GLU 422 N -1.00 0.54 0.00 1.57 4.57 -0.63 -1.97 114.58 117.66 1ja1 h GLU 422 Ca -0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1ja1 h GLU 422 Cb 0.54 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1ja1 h GLU 422 CO 0.09 0.36 0.00 0.00 -1.18 0.00 0.00 179.01 178.28 1ja1 n ALA 423 N -2.21 2.04 -3.67 2.92 0.00 -0.29 -4.64 120.51 114.66 1ja1 n ALA 423 Ca 0.01 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1ja1 n ALA 423 Cb 0.02 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.41 -6.10 -2.62 0.00 5.12 -0.72 -2.53 116.66 108.41 1ja1 n ARG 424 Ca 0.07 0.71 -0.43 0.00 -1.93 0.00 0.00 57.85 56.27 1ja1 n ARG 424 Cb 0.22 -5.56 -0.02 0.00 -1.16 0.00 0.00 32.46 25.94 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 -6.07 4.12 0.86 5.56 0.52 -0.41 -4.84 118.95 118.68 1ja1 s ARG 425 Ca 0.29 1.20 -0.09 0.00 -0.52 0.00 0.00 55.73 56.60 1ja1 s ARG 425 Cb -0.14 -3.72 0.17 0.00 0.52 0.00 0.00 34.95 31.78 1ja1 s ARG 425 CO 0.78 -0.83 1.18 -3.38 0.02 0.00 0.00 175.30 173.06 1ja1 s HIS 426 N 3.58 1.48 0.18 -0.53 -3.43 -1.26 -4.17 115.29 111.14 1ja1 s HIS 426 Ca 0.46 -0.00 -0.13 0.00 -0.80 0.00 0.00 55.06 54.59 1ja1 s HIS 426 Cb -0.14 -3.59 0.17 0.00 -1.43 0.00 0.00 32.58 27.59 1ja1 s HIS 426 CO 0.13 -2.25 1.74 0.97 -2.00 0.00 0.00 174.74 173.33 1ja1 h ILE 427 N -1.14 0.81 -0.78 -5.38 6.09 -1.80 -2.04 117.51 113.28 1ja1 h ILE 427 Ca -0.40 -0.11 0.03 0.00 -1.37 0.00 0.00 64.86 63.01 1ja1 h ILE 427 Cb 1.25 0.46 -0.05 0.00 0.47 0.00 0.00 36.82 38.95 1ja1 h ILE 427 CO 0.38 0.06 0.50 0.25 -3.07 0.00 0.00 178.15 176.26 1ja1 h LEU 428 N 0.32 0.83 -0.99 2.19 5.85 -1.94 -0.49 115.31 121.08 1ja1 h LEU 428 Ca 0.24 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1ja1 h LEU 428 Cb 0.27 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 1ja1 h LEU 428 CO -0.26 0.57 0.65 0.00 -0.34 0.00 0.00 178.44 179.07 1ja1 h ALA 429 N 1.32 1.28 -0.33 1.25 0.00 -1.75 0.57 119.26 121.60 1ja1 h ALA 429 Ca 0.31 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1ja1 h ALA 429 Cb -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1ja1 h ALA 429 CO -0.11 0.59 -0.09 0.82 0.00 0.00 0.00 179.25 180.46 1ja1 h ILE 430 N 1.29 1.28 -0.35 0.00 2.04 -0.75 0.76 117.51 121.79 1ja1 h ILE 430 Ca 0.38 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1ja1 h ILE 430 Cb -0.08 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1ja1 h ILE 430 CO -0.10 0.38 0.19 -0.07 0.00 0.00 0.00 178.15 178.55 1ja1 h LEU 431 N 0.43 0.41 0.06 1.44 3.38 -0.50 -0.15 115.31 120.39 1ja1 h LEU 431 Ca 0.08 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 1ja1 h LEU 431 Cb 0.60 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.27 1ja1 h LEU 431 CO 0.04 0.33 -1.03 1.56 0.09 0.00 0.00 178.44 179.43 1ja1 h GLN 432 N 0.48 0.59 0.00 1.13 4.20 -0.48 -3.28 115.11 117.74 1ja1 h GLN 432 Ca 0.13 -0.72 0.00 0.00 0.06 0.00 0.00 58.65 58.12 1ja1 h GLN 432 Cb 0.01 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ja1 h GLN 432 CO -0.02 1.31 -0.10 -0.44 -0.67 0.00 0.00 178.83 178.91 1ja1 h ASP 433 N 0.19 0.00 -2.53 1.46 3.45 -0.54 -3.31 116.42 115.15 1ja1 h ASP 433 Ca -0.15 -0.02 -0.60 0.00 0.43 0.00 0.00 57.03 56.69 1ja1 h ASP 433 Cb 1.72 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 40.07 1ja1 h ASP 433 CO 0.20 0.01 -0.66 -1.22 -1.57 0.00 0.00 179.24 175.99 1ja1 n TYR 434 N -2.58 2.74 0.29 4.55 4.01 -0.10 -4.98 117.16 121.10 1ja1 n TYR 434 Ca 0.05 -4.09 0.14 0.00 -0.16 0.00 0.00 57.90 53.84 1ja1 n TYR 434 Cb 0.47 -0.50 0.77 0.00 -0.31 0.00 0.00 39.34 39.77 1ja1 n TYR 434 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ja1 h PRO 435 N 4.74 0.00 0.00 -0.72 0.13 -1.65 -1.11 132.00 133.39 1ja1 h PRO 435 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ja1 h PRO 435 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1ja1 h PRO 435 CO 0.72 0.00 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.30 1ja1 n SER 436 N -2.69 0.38 -4.57 1.44 3.41 -1.26 -4.68 113.62 105.64 1ja1 n SER 436 Ca -0.02 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.65 1ja1 n SER 436 Cb 0.29 -0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 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 -3.65 3.39 -0.47 1.04 2.96 -0.42 -2.24 118.68 119.29 1ja1 s LEU 437 Ca 0.12 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 1ja1 s LEU 437 Cb 0.16 -3.04 0.18 0.00 0.50 0.00 0.00 46.19 43.99 1ja1 s LEU 437 CO 0.57 -1.59 0.40 0.54 -1.32 0.00 0.00 176.35 174.96 1ja1 n ARG 438 N 8.65 0.63 -2.03 1.98 5.12 -0.87 -4.87 116.66 125.27 1ja1 n ARG 438 Ca 0.08 -3.47 -0.32 0.00 -1.93 0.00 0.00 57.85 52.22 1ja1 n ARG 438 Cb 0.49 -1.75 -0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 -0.46 3.62 0.36 5.56 0.04 -1.26 -4.93 135.00 137.93 1ja1 s PRO 439 Ca 0.32 0.88 -0.27 0.00 0.04 0.00 0.00 61.00 61.97 1ja1 s PRO 439 Cb 0.05 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1ja1 s PRO 439 CO -0.18 -0.54 1.18 -1.25 0.04 0.00 0.00 177.00 176.24 1ja1 s PRO 440 N -4.71 4.27 0.25 0.56 0.04 -1.26 -4.93 135.00 129.22 1ja1 s PRO 440 Ca 0.57 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 63.46 1ja1 s PRO 440 Cb -0.11 -2.88 0.37 0.00 0.04 0.00 0.00 34.50 31.92 1ja1 s PRO 440 CO 0.45 -0.15 1.84 0.97 0.04 0.00 0.00 177.00 180.15 1ja1 h ILE 441 N 2.66 0.99 -0.70 0.56 6.09 -1.95 -2.71 117.51 122.44 1ja1 h ILE 441 Ca -0.48 -0.32 -0.01 0.00 -1.37 0.00 0.00 64.86 62.68 1ja1 h ILE 441 Cb 1.23 -0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.47 1ja1 h ILE 441 CO 0.64 0.17 0.40 -2.24 -3.07 0.00 0.00 178.15 174.05 1ja1 h ASP 442 N 0.92 0.86 -0.22 2.19 2.03 -2.00 -1.62 116.42 118.58 1ja1 h ASP 442 Ca 0.39 -0.06 -0.17 0.00 -0.73 0.00 0.00 57.03 56.47 1ja1 h ASP 442 Cb 0.26 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.55 1ja1 h ASP 442 CO -0.20 0.68 -0.53 -0.74 -1.03 0.00 0.00 179.24 177.42 1ja1 h HIS 443 N 0.97 0.95 -0.67 4.15 2.76 -1.88 -2.71 115.15 118.73 1ja1 h HIS 443 Ca 0.25 -0.36 0.03 0.00 -2.20 0.00 0.00 60.37 58.09 1ja1 h HIS 443 Cb 0.00 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 1ja1 h HIS 443 CO 0.01 1.16 0.41 1.25 -1.30 0.00 0.00 177.93 179.45 1ja1 h LEU 444 N 0.46 0.66 -1.78 0.26 5.85 -1.31 -0.21 115.31 119.25 1ja1 h LEU 444 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ja1 h LEU 444 Cb 1.14 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1ja1 h LEU 444 CO 0.11 0.45 -0.06 0.00 -0.34 0.00 0.00 178.44 178.60 1ja1 h GLU 446 N 0.06 0.29 0.07 0.00 4.81 -0.80 -3.32 114.58 115.68 1ja1 h GLU 446 Ca 0.01 -0.25 -0.24 0.00 -0.13 0.00 0.00 59.36 58.75 1ja1 h GLU 446 Cb 0.15 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1ja1 h GLU 446 CO 0.01 0.91 -1.10 -0.07 -0.73 0.00 0.00 179.01 178.03 1ja1 h LEU 447 N 0.19 0.30 -9.99 1.64 3.38 0.54 -3.47 115.31 107.91 1ja1 h LEU 447 Ca -0.03 -0.30 -0.53 0.00 0.09 0.00 0.00 57.88 57.11 1ja1 h LEU 447 Cb 1.32 -0.10 0.09 0.00 0.09 0.00 0.00 40.66 42.06 1ja1 h LEU 447 CO 0.12 1.20 0.58 -0.76 0.09 0.00 0.00 178.44 179.67 1ja1 s LEU 448 N -7.12 4.07 0.73 1.67 1.43 -0.05 -4.93 118.68 114.48 1ja1 s LEU 448 Ca -0.03 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.54 1ja1 s LEU 448 Cb 0.08 -4.09 0.03 0.00 0.03 0.00 0.00 46.19 42.25 1ja1 s LEU 448 CO 0.86 -1.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.33 1ja1 s PRO 449 N -2.53 2.63 0.46 1.29 0.04 -1.26 -4.85 135.00 130.77 1ja1 s PRO 449 Ca 0.62 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 1ja1 s PRO 449 Cb -0.36 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 1ja1 s PRO 449 CO 0.45 -1.22 1.12 1.03 0.04 0.00 0.00 177.00 178.41 1ja1 s ARG 450 N -5.27 3.79 -0.08 4.56 1.81 -1.26 -0.57 118.95 121.93 1ja1 s ARG 450 Ca 0.59 1.63 -0.30 0.00 -1.72 0.00 0.00 55.73 55.94 1ja1 s ARG 450 Cb -0.12 -2.33 -0.03 0.00 -0.45 0.00 0.00 34.95 32.02 1ja1 s ARG 450 CO 0.53 -0.49 1.25 -1.17 -0.68 0.00 0.00 175.30 174.74 1ja1 s LEU 451 N -3.13 4.25 0.31 2.53 2.96 0.37 -4.25 118.68 121.73 1ja1 s LEU 451 Ca 0.64 1.82 -0.04 0.00 -0.22 0.00 0.00 54.13 56.33 1ja1 s LEU 451 Cb -0.25 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.84 1ja1 s LEU 451 CO 0.30 -0.66 0.57 -1.10 -1.32 0.00 0.00 176.35 174.14 1ja1 s GLN 452 N 2.66 3.61 0.60 1.98 -1.52 -1.26 -4.88 119.66 120.86 1ja1 s GLN 452 Ca 0.57 -0.01 -0.14 0.00 -1.95 0.00 0.00 55.36 53.83 1ja1 s GLN 452 Cb -0.25 -2.63 -0.04 0.00 -0.22 0.00 0.00 33.01 29.88 1ja1 s GLN 452 CO 0.20 0.17 1.03 0.00 -0.25 0.00 0.00 175.29 176.45 1ja1 s ALA 453 N -2.16 2.88 -0.09 6.09 0.00 -1.26 -4.75 121.76 122.47 1ja1 s ALA 453 Ca 0.44 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1ja1 s ALA 453 Cb -0.11 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1ja1 s ALA 453 CO 0.32 -0.74 -0.08 1.03 0.00 0.00 0.00 175.76 176.28 1ja1 s ARG 454 N -4.54 2.98 0.03 0.00 3.00 -0.37 -4.87 118.95 115.18 1ja1 s ARG 454 Ca 0.59 -0.57 -0.02 0.00 0.00 0.00 0.00 55.73 55.73 1ja1 s ARG 454 Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 34.95 32.14 1ja1 s ARG 454 CO 0.43 0.53 0.22 0.71 0.00 0.00 0.00 175.30 177.19 1ja1 s TYR 455 N -0.44 3.53 -0.01 -0.53 2.02 -1.26 -1.04 117.35 119.62 1ja1 s TYR 455 Ca 0.06 0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 57.11 1ja1 s TYR 455 Cb -0.12 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 1ja1 s TYR 455 CO 0.02 0.60 0.03 0.71 -1.57 0.00 0.00 175.55 175.34 1ja1 s TYR 456 N -1.43 -0.03 -0.30 2.71 2.02 -0.04 -4.97 117.35 115.32 1ja1 s TYR 456 Ca 0.32 0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.82 1ja1 s TYR 456 Cb -0.13 -0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.42 1ja1 s TYR 456 CO 0.23 -0.02 1.43 0.00 -1.57 0.00 0.00 175.55 175.61 1ja1 s ALA 457 N 0.10 3.26 -0.04 3.71 0.00 -1.26 -0.84 121.76 126.68 1ja1 s ALA 457 Ca -0.01 0.17 -0.36 0.00 0.00 0.00 0.00 51.96 51.76 1ja1 s ALA 457 Cb -0.01 -3.83 -0.14 0.00 0.00 0.00 0.00 23.12 19.13 1ja1 s ALA 457 CO -0.00 -1.96 1.66 -0.89 0.00 0.00 0.00 175.76 174.56 1ja1 n ILE 458 N 6.46 0.25 -0.41 0.00 5.41 -0.76 -4.32 119.36 125.99 1ja1 n ILE 458 Ca 0.16 -0.05 -0.04 0.00 1.00 0.00 0.00 62.75 63.83 1ja1 n ILE 458 Cb 0.46 -1.40 0.22 0.00 -0.71 0.00 0.00 39.64 38.22 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 4.68 3.94 -2.23 -1.39 0.00 0.03 -4.20 120.51 121.34 1ja1 n ALA 459 Ca 0.21 -1.60 -0.08 0.00 0.00 0.00 0.00 53.44 51.97 1ja1 n ALA 459 Cb 0.23 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.56 0.35 -0.13 0.00 1.04 -1.26 -3.38 113.70 109.75 1ja1 s SER 460 Ca 0.39 -0.97 -0.06 0.00 0.48 0.00 0.00 55.95 55.78 1ja1 s SER 460 Cb 0.31 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1ja1 s SER 460 CO 0.10 -0.67 0.10 -0.55 0.98 0.00 0.00 173.24 173.20 1ja1 s SER 461 N -2.94 6.04 0.00 7.02 0.15 -1.26 -4.26 113.70 118.45 1ja1 s SER 461 Ca 0.11 0.32 0.22 0.00 0.70 0.00 0.00 55.95 57.31 1ja1 s SER 461 Cb 0.07 -1.94 0.94 0.00 -1.71 0.00 0.00 66.02 63.38 1ja1 s SER 461 CO -0.07 0.34 1.70 -1.54 1.20 0.00 0.00 173.24 174.88 1ja1 n SER 462 N 2.41 0.00 0.16 5.45 3.41 -1.26 0.08 113.62 123.87 1ja1 n SER 462 Ca -0.19 0.50 0.03 0.00 -0.26 0.00 0.00 58.87 58.95 1ja1 n SER 462 Cb 0.54 -0.50 0.19 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.94 -2.96 116.57 117.79 1ja1 h LYS 463 Ca 0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 1ja1 h LYS 463 Cb 0.38 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 1ja1 h LYS 463 CO 0.00 0.51 -2.03 0.28 -1.08 0.00 0.00 179.45 177.12 1ja1 n VAL 464 N -3.47 1.04 -3.28 0.50 0.31 -0.85 -4.80 118.33 107.78 1ja1 n VAL 464 Ca 0.00 -0.42 -0.25 0.00 -0.01 0.00 0.00 64.34 63.66 1ja1 n VAL 464 Cb 0.62 -1.09 -0.07 0.00 -0.91 0.00 0.00 33.84 32.40 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 -2.98 1.99 0.30 3.52 8.25 0.11 -4.94 115.22 121.48 1ja1 n HIS 465 Ca -0.31 -3.90 0.16 0.00 -0.26 0.00 0.00 57.72 53.40 1ja1 n HIS 465 Cb 0.86 -0.47 0.96 0.00 1.12 0.00 0.00 29.99 32.46 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 3.94 0.00 -0.32 -0.41 0.13 -1.72 -2.65 132.00 130.97 1ja1 h PRO 466 Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 1ja1 h PRO 466 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1ja1 h PRO 466 CO 0.68 0.01 0.01 0.09 -0.23 0.00 0.00 178.00 178.56 1ja1 n ASN 467 N -3.72 3.89 -3.77 1.44 4.13 -1.26 -4.94 115.26 111.04 1ja1 n ASN 467 Ca -0.03 -3.12 -0.13 0.00 1.68 0.00 0.00 54.58 52.98 1ja1 n ASN 467 Cb 0.09 -0.58 -0.12 0.00 -1.54 0.00 0.00 39.78 37.63 1ja1 n ASN 467 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1ja1 s SER 468 N -1.88 -0.30 -0.18 6.41 0.15 -1.00 -1.57 113.70 115.34 1ja1 s SER 468 Ca 0.44 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1ja1 s SER 468 Cb 0.36 0.56 0.01 0.00 -1.71 0.00 0.00 66.02 65.23 1ja1 s SER 468 CO 0.08 -0.11 -0.16 -0.69 1.20 0.00 0.00 173.24 173.57 1ja1 s VAL 469 N 0.34 2.46 0.09 4.45 1.01 -0.56 -4.82 120.40 123.37 1ja1 s VAL 469 Ca -0.02 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1ja1 s VAL 469 Cb -0.03 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1ja1 s VAL 469 CO -0.01 0.51 0.32 -1.00 0.00 0.00 0.00 175.10 174.92 1ja1 s HIS 470 N 1.14 3.51 -0.04 5.22 3.76 -1.26 -1.42 115.29 126.20 1ja1 s HIS 470 Ca 0.01 0.49 0.03 0.00 -0.15 0.00 0.00 55.06 55.45 1ja1 s HIS 470 Cb -0.14 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.60 1ja1 s HIS 470 CO -0.06 0.51 -0.13 0.42 -0.85 0.00 0.00 174.74 174.62 1ja1 s ILE 471 N -1.55 1.10 -0.23 0.60 1.01 0.24 -0.79 121.20 121.59 1ja1 s ILE 471 Ca 0.37 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1ja1 s ILE 471 Cb -0.13 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.42 1ja1 s ILE 471 CO 0.24 0.33 -0.14 0.00 0.00 0.00 0.00 174.94 175.37 1ja1 s ALA 473 N 1.19 -0.29 -0.16 0.00 0.00 -0.45 -4.90 121.76 117.15 1ja1 s ALA 473 Ca -0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 1ja1 s ALA 473 Cb -0.18 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1ja1 s ALA 473 CO -0.08 -0.27 0.22 0.54 0.00 0.00 0.00 175.76 176.18 1ja1 s VAL 474 N -1.93 5.35 0.08 0.00 0.11 -1.26 -0.40 120.40 122.35 1ja1 s VAL 474 Ca -0.10 0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 59.04 1ja1 s VAL 474 Cb -0.05 -3.55 -0.06 0.00 -1.53 0.00 0.00 36.38 31.19 1ja1 s VAL 474 CO -0.01 0.45 1.20 0.00 -3.33 0.00 0.00 175.10 173.41 1ja1 s ALA 475 N 0.15 3.41 -0.20 1.54 0.00 -0.07 -4.93 121.76 121.65 1ja1 s ALA 475 Ca 0.14 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 1ja1 s ALA 475 Cb -0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1ja1 s ALA 475 CO 0.02 -0.43 0.57 0.08 0.00 0.00 0.00 175.76 176.00 1ja1 s VAL 476 N 0.88 5.07 -0.30 0.00 1.01 -1.26 -4.72 120.40 121.08 1ja1 s VAL 476 Ca 0.58 1.05 -0.08 0.00 0.00 0.00 0.00 61.98 63.54 1ja1 s VAL 476 Cb -0.30 -3.89 0.15 0.00 0.00 0.00 0.00 36.38 32.35 1ja1 s VAL 476 CO 0.30 0.15 0.68 -0.70 0.00 0.00 0.00 175.10 175.53 1ja1 s GLU 477 N 1.75 0.54 0.09 2.72 2.12 -1.26 -0.54 118.70 124.12 1ja1 s GLU 477 Ca 0.26 1.20 -0.11 0.00 0.36 0.00 0.00 54.97 56.68 1ja1 s GLU 477 Cb -0.16 0.71 0.01 0.00 0.26 0.00 0.00 34.13 34.95 1ja1 s GLU 477 CO 0.10 -0.33 0.25 1.52 -0.54 0.00 0.00 175.26 176.26 1ja1 s TYR 478 N 2.85 0.03 -0.27 5.30 1.13 -0.74 -4.99 117.35 120.65 1ja1 s TYR 478 Ca 0.03 -0.37 -0.24 0.00 -1.41 0.00 0.00 57.07 55.08 1ja1 s TYR 478 Cb -0.12 0.04 -0.00 0.00 -1.10 0.00 0.00 41.96 40.77 1ja1 s TYR 478 CO -0.19 -0.56 0.82 -1.21 -2.51 0.00 0.00 175.55 171.89 1ja1 s GLU 479 N -3.56 4.11 0.34 -3.49 2.02 -1.26 -0.94 118.70 115.93 1ja1 s GLU 479 Ca 0.02 0.83 -0.03 0.00 0.02 0.00 0.00 54.97 55.81 1ja1 s GLU 479 Cb 0.03 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1ja1 s GLU 479 CO -0.10 -0.58 0.59 0.00 0.02 0.00 0.00 175.26 175.20 1ja1 s ALA 480 N 2.90 3.61 -1.05 5.21 0.00 -0.66 -4.96 121.76 126.81 1ja1 s ALA 480 Ca 0.34 -0.67 0.11 0.00 0.00 0.00 0.00 51.96 51.74 1ja1 s ALA 480 Cb -0.15 -2.28 0.47 0.00 0.00 0.00 0.00 23.12 21.15 1ja1 s ALA 480 CO 0.09 0.05 1.33 1.63 0.00 0.00 0.00 175.76 178.86 1ja1 n LYS 481 N -1.45 0.02 0.15 0.00 5.02 -1.24 -0.91 118.16 119.75 1ja1 n LYS 481 Ca -0.02 0.30 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 1ja1 n LYS 481 Cb 0.55 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.57 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 -1.84 -3.47 113.55 117.27 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 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 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 0.15 1.60 3.87 -0.77 0.00 -0.08 -5.08 105.19 104.87 1ja1 n GLY 483 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1ja1 n GLY 483 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ja1 s ARG 484 N -0.93 2.58 -0.24 1.61 3.03 -1.26 -4.88 118.95 118.87 1ja1 s ARG 484 Ca 0.00 -1.47 -0.19 0.00 2.03 0.00 0.00 55.73 56.10 1ja1 s ARG 484 Cb 0.00 -2.40 -0.03 0.00 -1.03 0.00 0.00 34.95 31.50 1ja1 s ARG 484 CO 0.00 -0.11 0.55 0.08 -1.13 0.00 0.00 175.30 174.69 1ja1 s VAL 485 N -2.43 5.06 -0.04 4.99 1.01 -1.26 -1.66 120.40 126.07 1ja1 s VAL 485 Ca 0.46 0.98 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 1ja1 s VAL 485 Cb -0.04 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1ja1 s VAL 485 CO 0.27 0.10 0.36 0.20 0.00 0.00 0.00 175.10 176.04 1ja1 s ASN 486 N 1.38 6.70 -0.07 3.32 0.02 -0.11 -4.94 114.94 121.24 1ja1 s ASN 486 Ca 0.24 0.84 0.03 0.00 -1.02 0.00 0.00 52.86 52.94 1ja1 s ASN 486 Cb -0.16 -2.22 -0.02 0.00 0.02 0.00 0.00 41.25 38.87 1ja1 s ASN 486 CO 0.09 0.30 -0.15 -0.54 0.02 0.00 0.00 177.10 176.83 1ja1 s LYS 487 N -0.84 2.71 0.14 -0.60 -0.14 -1.26 -1.80 119.74 117.95 1ja1 s LYS 487 Ca 0.22 -0.71 -0.31 0.00 -1.36 0.00 0.00 55.97 53.81 1ja1 s LYS 487 Cb -0.16 -2.42 -0.08 0.00 -1.68 0.00 0.00 37.83 33.49 1ja1 s LYS 487 CO 0.11 0.51 1.35 0.20 -0.76 0.00 0.00 175.35 176.76 1ja1 s GLY 488 N -0.44 2.16 0.06 -3.33 0.00 0.30 -4.96 107.32 101.12 1ja1 s GLY 488 Ca 0.05 1.10 -0.29 0.00 0.00 0.00 0.00 44.72 45.58 1ja1 s GLY 488 CO 0.02 2.23 1.44 -2.08 0.00 0.00 0.00 173.10 174.71 1ja1 h VAL 489 N 4.09 0.00 -0.38 1.40 2.07 -1.95 -1.66 116.25 119.83 1ja1 h VAL 489 Ca -0.43 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 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 0.83 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 178.34 1ja1 h ALA 490 N -1.32 0.51 -0.21 1.67 0.00 -1.92 -2.55 119.26 115.44 1ja1 h ALA 490 Ca -0.08 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 1ja1 h ALA 490 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ja1 h ALA 490 CO 0.07 0.36 -0.42 1.79 0.00 0.00 0.00 179.25 181.05 1ja1 h THR 491 N 0.52 1.31 -0.56 0.00 1.35 -1.92 0.25 112.91 113.85 1ja1 h THR 491 Ca 0.10 -1.59 -0.08 0.00 -0.55 0.00 0.00 66.41 64.29 1ja1 h THR 491 Cb 0.58 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.58 1ja1 h THR 491 CO 0.03 0.49 0.04 0.28 -0.25 0.00 0.00 175.52 176.12 1ja1 h SER 492 N 0.41 0.93 -0.29 5.36 0.02 -1.32 0.19 113.55 118.86 1ja1 h SER 492 Ca 0.03 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1ja1 h SER 492 Cb 0.91 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1ja1 h SER 492 CO 0.08 0.99 0.01 -0.25 -1.14 0.00 0.00 176.83 176.52 1ja1 h TRP 493 N 0.85 0.54 -0.63 3.45 7.01 -1.20 -2.41 115.95 123.56 1ja1 h TRP 493 Ca 0.16 -0.09 -0.09 0.00 2.11 0.00 0.00 58.89 60.99 1ja1 h TRP 493 Cb 0.48 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 1ja1 h TRP 493 CO 0.04 0.63 0.04 -0.07 -2.79 0.00 0.00 178.44 176.29 1ja1 h LEU 494 N 0.29 1.05 -1.50 0.65 3.38 -0.37 -2.82 115.31 115.99 1ja1 h LEU 494 Ca 0.08 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ja1 h LEU 494 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1ja1 h LEU 494 CO 0.01 1.08 0.30 -0.09 0.09 0.00 0.00 178.44 179.83 1ja1 h ARG 495 N 0.99 0.64 0.00 1.13 2.43 -0.49 -2.04 114.38 117.03 1ja1 h ARG 495 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ja1 h ARG 495 Cb 0.51 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ja1 h ARG 495 CO 0.02 0.43 0.00 0.00 -1.51 0.00 0.00 179.97 178.92 1ja1 n ALA 496 N -2.46 2.31 -2.19 2.80 0.00 -0.92 -4.82 120.51 115.23 1ja1 n ALA 496 Ca 0.04 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1ja1 n ALA 496 Cb 0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 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 -3.03 4.30 -0.10 0.00 -0.14 -0.77 -5.01 119.74 114.99 1ja1 s LYS 497 Ca 0.13 2.04 0.03 0.00 -1.36 0.00 0.00 55.97 56.80 1ja1 s LYS 497 Cb 0.17 -3.40 0.01 0.00 -1.68 0.00 0.00 37.83 32.92 1ja1 s LYS 497 CO 0.55 -0.50 -0.19 -1.83 -0.76 0.00 0.00 175.35 172.62 1ja1 s GLU 498 N 1.71 2.52 0.62 1.68 -1.05 -1.26 -4.87 118.70 118.06 1ja1 s GLU 498 Ca 0.65 -0.69 0.20 0.00 -0.15 0.00 0.00 54.97 54.99 1ja1 s GLU 498 Cb -0.35 -2.02 0.85 0.00 -0.44 0.00 0.00 34.13 32.17 1ja1 s GLU 498 CO 0.29 0.04 1.38 -1.35 0.95 0.00 0.00 175.26 176.57 1ja1 h PRO 499 N 7.10 0.00 0.00 -4.83 0.11 -1.83 -3.38 132.00 129.17 1ja1 h PRO 499 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ja1 h PRO 499 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ja1 h PRO 499 CO 0.49 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 1ja1 n ALA 500 N -2.03 0.00 0.00 -0.75 0.00 -1.26 -4.63 120.51 111.84 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 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.59 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 0.00 -0.04 5.17 0.00 0.00 -1.25 -5.00 105.19 104.06 1ja1 n GLY 501 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1ja1 n GLY 501 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ja1 n GLU 502 N 0.00 0.00 0.00 1.61 2.13 -1.26 -1.96 120.64 121.16 1ja1 n GLU 502 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ja1 n GLU 502 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1ja1 n GLU 502 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ja1 n ASN 503 N 3.28 4.13 -4.55 4.31 5.03 -1.26 -4.98 115.26 121.22 1ja1 n ASN 503 Ca 0.00 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.15 1ja1 n ASN 503 Cb 0.00 0.59 -0.06 0.00 -1.02 0.00 0.00 39.78 39.29 1ja1 n ASN 503 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ja1 n GLY 504 N 2.36 0.01 0.25 7.41 0.00 -0.83 -4.38 105.19 110.01 1ja1 n GLY 504 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1ja1 n GLY 504 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja1 n GLY 505 N 6.24 -3.41 2.93 -0.02 0.00 -1.26 -3.85 105.19 105.82 1ja1 n GLY 505 Ca 0.43 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1ja1 n GLY 505 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ja1 s ARG 506 N -4.59 1.32 -0.46 1.61 0.52 -1.26 -4.50 118.95 111.59 1ja1 s ARG 506 Ca 0.00 -1.53 -0.28 0.00 -0.52 0.00 0.00 55.73 53.40 1ja1 s ARG 506 Cb 0.00 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 1ja1 s ARG 506 CO 0.00 -0.90 1.66 0.00 0.02 0.00 0.00 175.30 176.08 1ja1 s ALA 507 N 1.16 2.72 -0.00 2.13 0.00 -1.26 -4.97 121.76 121.54 1ja1 s ALA 507 Ca 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 51.81 1ja1 s ALA 507 Cb -0.19 -4.09 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 1ja1 s ALA 507 CO -0.12 -2.96 0.01 -0.51 0.00 0.00 0.00 175.76 172.17 1ja1 s LEU 508 N 6.98 3.54 -0.21 0.00 1.43 -1.26 0.48 118.68 129.63 1ja1 s LEU 508 Ca 0.67 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 1ja1 s LEU 508 Cb -0.16 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.08 1ja1 s LEU 508 CO 0.28 0.28 -0.07 -0.69 0.23 0.00 0.00 176.35 176.39 1ja1 s VAL 509 N -1.09 1.48 -0.01 -1.59 1.01 0.16 -4.90 120.40 115.45 1ja1 s VAL 509 Ca 0.20 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1ja1 s VAL 509 Cb -0.12 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1ja1 s VAL 509 CO 0.11 0.02 1.69 -2.84 0.00 0.00 0.00 175.10 174.07 1ja1 s PRO 510 N 1.44 4.18 0.30 2.72 0.02 -1.26 -1.41 135.00 140.99 1ja1 s PRO 510 Ca -0.03 2.28 -0.06 0.00 0.02 0.00 0.00 61.00 63.20 1ja1 s PRO 510 Cb -0.17 -3.91 -0.00 0.00 0.02 0.00 0.00 34.50 30.44 1ja1 s PRO 510 CO -0.07 -0.83 0.46 0.00 -0.33 0.00 0.00 177.00 176.23 1ja1 s MET 511 N 3.71 1.74 0.16 5.54 0.23 0.40 -1.52 119.30 129.57 1ja1 s MET 511 Ca 0.75 -1.57 -0.23 0.00 -1.03 0.00 0.00 55.69 53.61 1ja1 s MET 511 Cb -0.36 0.44 0.06 0.00 -1.53 0.00 0.00 34.83 33.45 1ja1 s MET 511 CO 0.32 -0.72 0.68 -0.59 -2.03 0.00 0.00 175.02 172.68 1ja1 s PHE 512 N -3.43 -0.41 -0.10 3.16 -0.71 -0.89 0.02 117.98 115.61 1ja1 s PHE 512 Ca 0.28 0.15 -0.01 0.00 -1.04 0.00 0.00 56.93 56.31 1ja1 s PHE 512 Cb -0.00 0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 42.38 1ja1 s PHE 512 CO 0.15 -0.90 -0.05 0.08 -1.34 0.00 0.00 175.22 173.17 1ja1 s VAL 513 N -3.68 3.85 -0.20 -2.49 1.01 -1.26 -0.84 120.40 116.79 1ja1 s VAL 513 Ca 0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1ja1 s VAL 513 Cb -0.02 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1ja1 s VAL 513 CO -0.07 0.57 -0.10 -0.60 0.00 0.00 0.00 175.10 174.90 1ja1 s ARG 514 N -0.45 3.25 0.16 2.72 3.52 0.01 -4.98 118.95 123.18 1ja1 s ARG 514 Ca 0.07 -0.69 -0.31 0.00 -0.13 0.00 0.00 55.73 54.67 1ja1 s ARG 514 Cb -0.12 -2.85 -0.09 0.00 -1.56 0.00 0.00 34.95 30.34 1ja1 s ARG 514 CO 0.02 -0.18 1.38 0.21 -0.81 0.00 0.00 175.30 175.92 1ja1 s LYS 515 N 1.36 4.33 0.41 5.12 2.20 -1.26 -1.79 119.74 130.11 1ja1 s LYS 515 Ca 0.05 2.11 0.03 0.00 -0.36 0.00 0.00 55.97 57.79 1ja1 s LYS 515 Cb -0.14 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1ja1 s LYS 515 CO -0.06 -0.39 0.23 -1.13 -0.36 0.00 0.00 175.35 173.65 1ja1 n SER 516 N 3.36 2.53 -0.63 1.43 3.41 -1.26 -4.92 113.62 117.54 1ja1 n SER 516 Ca 0.09 -2.51 0.07 0.00 -0.26 0.00 0.00 58.87 56.26 1ja1 n SER 516 Cb 0.42 0.05 0.18 0.00 -0.26 0.00 0.00 64.21 64.60 1ja1 n SER 516 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ja1 n GLN 517 N -1.35 2.78 -2.93 4.33 6.02 -1.26 -4.90 117.38 120.06 1ja1 n GLN 517 Ca -0.05 -2.35 -0.43 0.00 -0.01 0.00 0.00 57.00 54.15 1ja1 n GLN 517 Cb 0.48 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.88 2.84 0.00 1.08 2.19 -1.26 -5.01 117.98 115.94 1ja1 s PHE 518 Ca 0.29 -0.30 -0.04 0.00 0.33 0.00 0.00 56.93 57.21 1ja1 s PHE 518 Cb 0.21 -3.98 -0.01 0.00 -1.31 0.00 0.00 43.02 37.93 1ja1 s PHE 518 CO 0.10 -1.33 0.07 1.03 1.83 0.00 0.00 175.22 176.91 1ja1 s ARG 519 N 3.59 0.36 0.87 10.12 1.81 -1.26 -4.23 118.95 130.21 1ja1 s ARG 519 Ca 0.24 -0.40 -0.11 0.00 -1.72 0.00 0.00 55.73 53.74 1ja1 s ARG 519 Cb -0.16 0.14 0.12 0.00 -0.45 0.00 0.00 34.95 34.60 1ja1 s ARG 519 CO 0.15 -0.07 1.11 -0.51 -0.68 0.00 0.00 175.30 175.29 1ja1 s LEU 520 N -1.20 2.74 0.67 2.53 1.43 -1.26 -4.95 118.68 118.63 1ja1 s LEU 520 Ca -0.13 1.93 -0.17 0.00 -1.03 0.00 0.00 54.13 54.73 1ja1 s LEU 520 Cb -0.08 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1ja1 s LEU 520 CO 0.00 -2.70 1.24 -2.84 0.23 0.00 0.00 176.35 172.28 1ja1 s PRO 521 N -4.77 2.49 0.12 1.29 0.02 -1.26 -4.92 135.00 127.97 1ja1 s PRO 521 Ca 0.64 1.89 -0.14 0.00 0.02 0.00 0.00 61.00 63.41 1ja1 s PRO 521 Cb -0.20 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1ja1 s PRO 521 CO 0.57 -1.60 1.55 0.74 -0.33 0.00 0.00 177.00 177.94 1ja1 h PHE 522 N 0.30 0.81 -3.17 6.54 0.04 -1.99 -3.41 116.94 116.06 1ja1 h PHE 522 Ca -0.50 -0.15 -0.58 0.00 2.80 0.00 0.00 57.97 59.55 1ja1 h PHE 522 Cb 1.31 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 39.20 1ja1 h PHE 522 CO 0.45 0.83 0.67 0.15 -0.60 0.00 0.00 178.31 179.81 1ja1 s LYS 523 N -4.92 4.29 0.56 1.51 1.02 -1.26 -4.93 119.74 116.02 1ja1 s LYS 523 Ca -0.13 1.29 0.23 0.00 0.02 0.00 0.00 55.97 57.38 1ja1 s LYS 523 Cb 0.10 -3.61 1.55 0.00 -0.52 0.00 0.00 37.83 35.35 1ja1 s LYS 523 CO 0.80 -0.51 2.20 0.66 -0.92 0.00 0.00 175.35 177.58 1ja1 h SER 524 N 7.38 0.00 1.21 2.83 4.64 -1.81 -2.24 113.55 125.55 1ja1 h SER 524 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1ja1 h SER 524 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1ja1 h SER 524 CO 0.92 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.59 1ja1 h THR 525 N 0.00 0.00 -3.43 2.95 1.35 -1.87 -1.37 112.91 110.54 1ja1 h THR 525 Ca 0.00 -0.47 -0.52 0.00 -0.55 0.00 0.00 66.41 64.87 1ja1 h THR 525 Cb 0.02 1.37 0.05 0.00 -1.73 0.00 0.00 68.15 67.86 1ja1 h THR 525 CO -0.00 0.00 0.72 -0.89 -0.25 0.00 0.00 175.52 175.10 1ja1 s THR 526 N -3.29 2.81 0.53 6.82 2.01 -0.85 -3.27 115.64 120.41 1ja1 s THR 526 Ca 0.06 0.69 -0.21 0.00 0.31 0.00 0.00 61.69 62.55 1ja1 s THR 526 Cb 0.10 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 1ja1 s THR 526 CO 0.53 0.11 1.18 -2.84 -0.69 0.00 0.00 174.62 172.91 1ja1 s PRO 527 N -0.45 3.38 -0.10 4.92 0.02 -1.26 -4.31 135.00 137.19 1ja1 s PRO 527 Ca 0.58 1.76 0.02 0.00 0.02 0.00 0.00 61.00 63.38 1ja1 s PRO 527 Cb -0.40 -2.13 0.01 0.00 0.02 0.00 0.00 34.50 32.00 1ja1 s PRO 527 CO 0.43 -0.87 -0.15 0.08 -0.33 0.00 0.00 177.00 176.16 1ja1 s VAL 528 N -1.62 1.45 -0.29 3.83 1.01 0.03 -1.15 120.40 123.66 1ja1 s VAL 528 Ca 0.71 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1ja1 s VAL 528 Cb -0.28 -1.32 0.06 0.00 0.00 0.00 0.00 36.38 34.84 1ja1 s VAL 528 CO 0.32 0.43 -0.04 -0.63 0.00 0.00 0.00 175.10 175.19 1ja1 s ILE 529 N 0.92 2.57 -0.17 2.22 1.01 -0.16 -0.81 121.20 126.78 1ja1 s ILE 529 Ca -0.08 -1.61 -0.05 0.00 0.00 0.00 0.00 60.65 58.91 1ja1 s ILE 529 Cb -0.15 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 1ja1 s ILE 529 CO -0.00 -0.14 0.00 -0.04 0.00 0.00 0.00 174.94 174.76 1ja1 s MET 530 N 1.15 3.76 -0.29 2.79 -1.94 0.00 -0.56 119.30 124.22 1ja1 s MET 530 Ca -0.05 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 53.49 1ja1 s MET 530 Cb -0.20 -3.04 0.08 0.00 2.01 0.00 0.00 34.83 33.68 1ja1 s MET 530 CO -0.04 0.21 0.00 0.08 -0.01 0.00 0.00 175.02 175.27 1ja1 s VAL 531 N 0.47 1.77 -0.45 -6.03 1.01 0.70 -0.10 120.40 117.77 1ja1 s VAL 531 Ca -0.01 -1.72 0.06 0.00 0.00 0.00 0.00 61.98 60.31 1ja1 s VAL 531 Cb -0.14 -2.16 0.19 0.00 0.00 0.00 0.00 36.38 34.27 1ja1 s VAL 531 CO 0.02 -0.37 0.55 0.61 0.00 0.00 0.00 175.10 175.91 1ja1 n GLY 532 N 4.52 1.04 3.77 4.51 0.00 -0.65 -1.13 105.19 117.26 1ja1 n GLY 532 Ca -0.05 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 0.27 2.76 5.30 1.61 0.04 -1.26 -1.90 135.00 141.83 1ja1 s PRO 533 Ca 0.32 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1ja1 s PRO 533 Cb 0.06 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1ja1 s PRO 533 CO -0.14 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.04 1ja1 n GLY 534 N -0.73 2.45 0.00 0.56 0.00 0.18 -1.15 105.19 106.51 1ja1 n GLY 534 Ca 0.10 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 0.48 0.59 2.61 -2.24 -1.26 -1.69 114.28 112.77 1ja1 n THR 535 Ca 0.00 0.12 0.07 0.00 -2.27 0.00 0.00 64.05 61.97 1ja1 n THR 535 Cb 0.00 -0.98 0.33 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.50 -0.84 0.17 3.38 0.00 -0.30 -1.91 105.19 105.18 1ja1 n GLY 536 Ca 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 1.09 -0.36 -0.61 6.09 -0.61 -3.39 117.51 119.73 1ja1 h ILE 537 Ca 0.00 -1.78 0.03 0.00 -1.37 0.00 0.00 64.86 61.74 1ja1 h ILE 537 Cb 0.17 2.03 -0.04 0.00 0.47 0.00 0.00 36.82 39.45 1ja1 h ILE 537 CO 0.00 0.46 -0.21 0.00 -3.07 0.00 0.00 178.15 175.33 1ja1 n ALA 538 N -2.34 -0.23 0.20 0.18 0.00 -0.80 -0.83 120.51 116.68 1ja1 n ALA 538 Ca -0.00 0.31 0.04 0.00 0.00 0.00 0.00 53.44 53.78 1ja1 n ALA 538 Cb 0.56 0.12 0.42 0.00 0.00 0.00 0.00 19.45 20.56 1ja1 n ALA 538 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ja1 h PRO 539 N 0.00 0.02 0.00 0.00 0.13 -1.75 -2.83 132.00 127.57 1ja1 h PRO 539 Ca 0.06 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1ja1 h PRO 539 Cb 0.15 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.28 1ja1 h PRO 539 CO -0.34 0.29 0.00 0.74 -0.23 0.00 0.00 178.00 178.46 1ja1 h PHE 540 N 0.01 0.00 -0.38 1.56 0.04 -1.21 -1.71 116.94 115.25 1ja1 h PHE 540 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1ja1 h PHE 540 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1ja1 h PHE 540 CO 0.00 0.00 -0.17 0.52 -0.60 0.00 0.00 178.31 178.06 1ja1 h MET 541 N 0.00 0.71 -0.11 1.51 2.86 -1.16 0.80 114.93 119.55 1ja1 h MET 541 Ca 0.00 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1ja1 h MET 541 Cb 0.50 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1ja1 h MET 541 CO 0.00 0.84 -0.07 0.78 1.06 0.00 0.00 176.91 179.52 1ja1 h GLY 542 N 0.98 0.25 0.42 8.32 0.00 -1.34 -1.33 103.07 110.36 1ja1 h GLY 542 Ca 0.10 -0.24 0.11 0.00 0.00 0.00 0.00 47.33 47.30 1ja1 h GLY 542 CO 0.04 0.21 0.39 0.74 0.00 0.00 0.00 176.54 177.93 1ja1 h PHE 543 N -0.14 0.69 -0.25 5.60 0.05 -1.12 -0.76 116.94 121.01 1ja1 h PHE 543 Ca 0.02 0.03 -0.19 0.00 3.82 0.00 0.00 57.97 61.65 1ja1 h PHE 543 Cb 0.54 -0.20 0.00 0.00 2.00 0.00 0.00 35.95 38.30 1ja1 h PHE 543 CO 0.07 0.23 -0.58 0.82 -0.18 0.00 0.00 178.31 178.68 1ja1 h ILE 544 N 0.63 1.28 -0.59 -0.55 2.04 -0.79 0.13 117.51 119.67 1ja1 h ILE 544 Ca 0.38 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.48 1ja1 h ILE 544 Cb 0.43 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1ja1 h ILE 544 CO -0.29 0.57 0.39 1.56 0.00 0.00 0.00 178.15 180.38 1ja1 h GLN 545 N 0.60 0.78 -0.35 2.37 4.20 -0.83 0.17 115.11 122.05 1ja1 h GLN 545 Ca -0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1ja1 h GLN 545 Cb 1.20 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1ja1 h GLN 545 CO 0.13 0.52 -0.06 1.49 -0.67 0.00 0.00 178.83 180.23 1ja1 h GLU 546 N 0.80 0.66 -0.70 1.46 4.81 -1.05 0.90 114.58 121.45 1ja1 h GLU 546 Ca 0.21 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ja1 h GLU 546 Cb -0.09 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1ja1 h GLU 546 CO -0.05 0.81 0.45 0.00 -0.73 0.00 0.00 179.01 179.50 1ja1 h ARG 547 N 0.45 0.93 -0.47 1.92 2.47 -0.38 0.18 114.38 119.49 1ja1 h ARG 547 Ca 0.09 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.65 1ja1 h ARG 547 Cb 0.56 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 1ja1 h ARG 547 CO 0.03 0.64 -0.09 0.00 0.56 0.00 0.00 179.97 181.11 1ja1 h ALA 548 N 1.24 0.96 0.12 0.04 0.00 -0.46 -2.61 119.26 118.54 1ja1 h ALA 548 Ca 0.25 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ja1 h ALA 548 Cb -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1ja1 h ALA 548 CO -0.05 0.62 -0.06 2.35 0.00 0.00 0.00 179.25 182.11 1ja1 h TRP 549 N 0.77 -0.15 -0.68 0.00 7.01 0.08 -0.82 115.95 122.15 1ja1 h TRP 549 Ca 0.13 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.26 1ja1 h TRP 549 Cb 0.59 0.05 -0.09 0.00 -2.10 0.00 0.00 29.16 27.60 1ja1 h TRP 549 CO 0.03 -0.03 0.21 -0.07 -2.79 0.00 0.00 178.44 175.79 1ja1 h LEU 550 N -0.23 0.12 -0.25 0.65 3.38 -0.55 0.23 115.31 118.66 1ja1 h LEU 550 Ca -0.02 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ja1 h LEU 550 Cb 0.19 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ja1 h LEU 550 CO 0.03 0.04 0.16 0.03 0.09 0.00 0.00 178.44 178.79 1ja1 h ARG 551 N 0.34 0.33 0.00 1.13 3.08 -1.19 -1.45 114.38 116.62 1ja1 h ARG 551 Ca 0.37 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 1ja1 h ARG 551 Cb 0.57 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1ja1 h ARG 551 CO -0.42 0.23 -0.02 0.93 -1.07 0.00 0.00 179.97 179.63 1ja1 h GLU 552 N 0.33 0.00 -0.02 0.04 5.08 0.45 -0.24 114.58 120.21 1ja1 h GLU 552 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1ja1 h GLU 552 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1ja1 h GLU 552 CO -0.02 0.02 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1ja1 n GLN 553 N -4.29 1.10 -0.74 2.33 1.13 0.61 -4.88 117.38 112.63 1ja1 n GLN 553 Ca -0.03 -0.15 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1ja1 n GLN 553 Cb 0.10 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.18 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 0.81 0.67 3.87 1.08 0.00 -0.10 -5.05 105.19 106.47 1ja1 n GLY 554 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.26 3.75 -0.42 1.61 1.02 -0.74 -5.02 119.74 119.68 1ja1 s LYS 555 Ca 0.00 0.64 -0.23 0.00 0.02 0.00 0.00 55.97 56.40 1ja1 s LYS 555 Cb 0.00 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 35.09 1ja1 s LYS 555 CO 0.00 -0.27 0.77 -2.00 -0.92 0.00 0.00 175.35 172.93 1ja1 s GLU 556 N -4.39 3.50 -0.17 1.68 2.12 -1.26 -4.42 118.70 115.75 1ja1 s GLU 556 Ca 0.54 -0.01 -0.05 0.00 0.36 0.00 0.00 54.97 55.81 1ja1 s GLU 556 Cb -0.10 -3.90 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 1ja1 s GLU 556 CO 0.39 -1.03 0.00 0.08 -0.54 0.00 0.00 175.26 174.16 1ja1 s VAL 557 N 3.20 4.20 1.26 3.70 1.01 -1.26 -2.84 120.40 129.67 1ja1 s VAL 557 Ca 0.30 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1ja1 s VAL 557 Cb -0.13 -2.87 0.32 0.00 0.00 0.00 0.00 36.38 33.70 1ja1 s VAL 557 CO 0.21 0.47 1.03 0.61 0.00 0.00 0.00 175.10 177.42 1ja1 n GLY 558 N 3.64 -3.01 3.76 4.51 0.00 -0.52 -4.89 105.19 108.68 1ja1 n GLY 558 Ca -0.17 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 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 -5.37 3.38 -0.22 1.61 2.02 -1.26 -4.82 118.70 114.05 1ja1 s GLU 559 Ca 0.69 2.35 -0.02 0.00 0.02 0.00 0.00 54.97 58.02 1ja1 s GLU 559 Cb -0.08 -2.45 0.06 0.00 0.10 0.00 0.00 34.13 31.77 1ja1 s GLU 559 CO 0.54 -1.04 0.02 0.99 0.02 0.00 0.00 175.26 175.79 1ja1 s THR 560 N -1.24 0.81 -0.12 3.63 2.01 -1.26 -0.79 115.64 118.67 1ja1 s THR 560 Ca 0.67 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 1ja1 s THR 560 Cb -0.43 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 1ja1 s THR 560 CO 0.53 -0.24 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.35 1ja1 s LEU 561 N 1.72 2.83 -0.15 4.42 1.02 0.01 0.07 118.68 128.60 1ja1 s LEU 561 Ca -0.01 -0.27 -0.02 0.00 0.02 0.00 0.00 54.13 53.85 1ja1 s LEU 561 Cb -0.18 -1.64 -0.02 0.00 0.02 0.00 0.00 46.19 44.38 1ja1 s LEU 561 CO -0.09 0.19 -0.08 -0.22 0.02 0.00 0.00 176.35 176.17 1ja1 s LEU 562 N 0.20 2.98 -0.35 1.79 2.96 -0.74 -0.82 118.68 124.69 1ja1 s LEU 562 Ca -0.07 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1ja1 s LEU 562 Cb -0.15 -1.70 0.08 0.00 0.50 0.00 0.00 46.19 44.92 1ja1 s LEU 562 CO 0.05 0.15 0.08 -0.31 -1.32 0.00 0.00 176.35 175.00 1ja1 s TYR 563 N 0.48 3.46 0.39 5.38 2.02 0.86 -0.83 117.35 129.11 1ja1 s TYR 563 Ca -0.06 -2.24 0.08 0.00 -0.37 0.00 0.00 57.07 54.48 1ja1 s TYR 563 Cb -0.15 -2.65 -0.07 0.00 -0.40 0.00 0.00 41.96 38.70 1ja1 s TYR 563 CO 0.04 -0.89 0.03 -0.47 -1.57 0.00 0.00 175.55 172.69 1ja1 s TYR 564 N 1.16 2.53 -0.11 2.71 5.04 0.59 -1.63 117.35 127.63 1ja1 s TYR 564 Ca 0.02 -0.57 -0.30 0.00 -2.44 0.00 0.00 57.07 53.78 1ja1 s TYR 564 Cb -0.21 -1.70 0.08 0.00 0.35 0.00 0.00 41.96 40.49 1ja1 s TYR 564 CO -0.03 0.42 0.74 0.20 -1.34 0.00 0.00 175.55 175.54 1ja1 s GLY 565 N -3.74 -0.52 0.33 8.97 0.00 -1.26 -0.55 107.32 110.56 1ja1 s GLY 565 Ca 0.36 1.59 -0.14 0.00 0.00 0.00 0.00 44.72 46.53 1ja1 s GLY 565 CO 0.19 1.15 0.66 0.00 0.00 0.00 0.00 173.10 175.10 1ja1 h ARG 567 N 2.06 -0.22 -3.26 0.00 2.47 -1.85 -0.74 114.38 112.85 1ja1 h ARG 567 Ca -0.28 0.02 -0.14 0.00 -1.26 0.00 0.00 59.98 58.32 1ja1 h ARG 567 Cb 1.25 0.05 -0.22 0.00 -1.65 0.00 0.00 29.97 29.40 1ja1 h ARG 567 CO 0.36 0.19 -0.41 1.03 0.56 0.00 0.00 179.97 181.70 1ja1 s ARG 568 N -3.97 0.48 0.57 0.04 0.52 -1.26 -0.79 118.95 114.54 1ja1 s ARG 568 Ca -0.14 -0.12 0.28 0.00 -0.52 0.00 0.00 55.73 55.23 1ja1 s ARG 568 Cb 0.01 0.21 1.69 0.00 0.52 0.00 0.00 34.95 37.38 1ja1 s ARG 568 CO 0.54 -0.11 2.20 0.66 0.02 0.00 0.00 175.30 178.60 1ja1 h SER 569 N 4.58 0.00 -0.50 0.23 4.64 -1.95 -1.32 113.55 119.22 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 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ja1 h SER 569 CO 0.39 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.49 1ja1 n ASP 570 N -3.83 4.25 0.02 4.97 5.75 -1.26 -4.33 116.55 122.12 1ja1 n ASP 570 Ca -0.03 -2.49 -0.01 0.00 -0.01 0.00 0.00 54.79 52.25 1ja1 n ASP 570 Cb 0.13 -0.50 -0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1ja1 n ASP 570 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1ja1 n GLU 571 N 0.64 0.08 -2.69 0.11 4.07 -0.53 -3.76 120.64 118.57 1ja1 n GLU 571 Ca 0.22 0.03 -0.07 0.00 -0.06 0.00 0.00 57.16 57.28 1ja1 n GLU 571 Cb 0.81 -0.55 0.05 0.00 -0.06 0.00 0.00 31.44 31.69 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 -3.44 0.75 -4.51 4.31 5.68 -1.02 -0.26 116.55 118.05 1ja1 n ASP 572 Ca -0.02 -2.56 -0.42 0.00 -0.50 0.00 0.00 54.79 51.29 1ja1 n ASP 572 Cb 0.07 -0.20 -0.03 0.00 -1.14 0.00 0.00 41.12 39.82 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 -2.50 2.57 0.28 2.11 6.04 -1.25 -4.73 117.35 119.89 1ja1 s TYR 573 Ca 0.25 -0.58 -0.29 0.00 0.04 0.00 0.00 57.07 56.49 1ja1 s TYR 573 Cb 0.43 -4.50 -0.10 0.00 -1.04 0.00 0.00 41.96 36.75 1ja1 s TYR 573 CO 0.00 -1.84 1.35 -0.51 -1.54 0.00 0.00 175.55 173.01 1ja1 s LEU 574 N 4.64 4.41 -1.38 6.97 1.43 -1.26 -2.98 118.68 130.52 1ja1 s LEU 574 Ca 0.34 2.63 -0.07 0.00 -1.03 0.00 0.00 54.13 56.00 1ja1 s LEU 574 Cb -0.08 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.55 1ja1 s LEU 574 CO 0.04 -0.58 0.49 -1.22 0.23 0.00 0.00 176.35 175.31 1ja1 n TYR 575 N 1.59 -1.83 -0.11 0.29 4.01 -1.26 -4.87 117.16 114.98 1ja1 n TYR 575 Ca 0.03 0.45 -0.06 0.00 -0.16 0.00 0.00 57.90 58.17 1ja1 n TYR 575 Cb 0.41 -3.56 0.01 0.00 -0.31 0.00 0.00 39.34 35.89 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 -1.05 -0.10 -0.16 -0.72 2.43 -1.88 0.01 114.38 112.91 1ja1 h ARG 576 Ca -0.46 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1ja1 h ARG 576 Cb 1.31 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1ja1 h ARG 576 CO 0.53 -0.06 0.05 0.93 -1.51 0.00 0.00 179.97 179.91 1ja1 h GLU 577 N -0.10 0.25 -0.54 0.20 3.07 -1.89 -1.86 114.58 113.71 1ja1 h GLU 577 Ca 0.19 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1ja1 h GLU 577 Cb 0.39 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1ja1 h GLU 577 CO -0.44 0.37 0.35 0.93 -1.40 0.00 0.00 179.01 178.81 1ja1 h GLU 578 N 0.09 0.68 -0.65 2.33 3.07 -1.87 -1.58 114.58 116.64 1ja1 h GLU 578 Ca 0.05 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1ja1 h GLU 578 Cb 0.22 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1ja1 h GLU 578 CO -0.00 0.45 0.18 -0.07 -1.40 0.00 0.00 179.01 178.16 1ja1 h LEU 579 N 0.70 0.98 -0.83 1.33 3.38 -0.93 -0.84 115.31 119.09 1ja1 h LEU 579 Ca 0.21 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ja1 h LEU 579 Cb -0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1ja1 h LEU 579 CO -0.07 0.95 0.51 0.00 0.09 0.00 0.00 178.44 179.92 1ja1 h ALA 580 N 1.07 1.05 -0.01 1.53 0.00 -1.06 -0.02 119.26 121.82 1ja1 h ALA 580 Ca 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ja1 h ALA 580 Cb 0.34 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ja1 h ALA 580 CO -0.00 0.51 0.00 -0.09 0.00 0.00 0.00 179.25 179.67 1ja1 h ARG 581 N 1.13 0.02 -0.57 0.00 9.65 -0.84 0.86 114.38 124.63 1ja1 h ARG 581 Ca 0.30 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.18 1ja1 h ARG 581 Cb -0.06 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1ja1 h ARG 581 CO -0.06 0.15 0.37 0.74 2.80 0.00 0.00 179.97 183.97 1ja1 h PHE 582 N -0.12 0.71 -0.10 2.20 0.04 -0.84 -0.96 116.94 117.88 1ja1 h PHE 582 Ca 0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1ja1 h PHE 582 Cb 0.14 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.05 1ja1 h PHE 582 CO -0.03 0.45 -0.08 1.25 -0.60 0.00 0.00 178.31 179.31 1ja1 h HIS 583 N 0.77 0.26 -0.53 -0.55 2.76 -0.69 0.80 115.15 117.97 1ja1 h HIS 583 Ca 0.21 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 1ja1 h HIS 583 Cb -0.08 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 28.77 1ja1 h HIS 583 CO 0.00 0.62 0.26 -0.22 -1.30 0.00 0.00 177.93 177.30 1ja1 h LYS 584 N -0.18 0.49 0.00 5.26 3.64 -0.37 -1.61 116.57 123.80 1ja1 h LYS 584 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ja1 h LYS 584 Cb 0.57 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1ja1 h LYS 584 CO 0.02 0.33 0.00 -0.25 -2.27 0.00 0.00 179.45 177.28 1ja1 n ASP 585 N -4.89 0.00 0.00 4.20 8.00 -0.40 -4.88 116.55 118.58 1ja1 n ASP 585 Ca 0.05 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.09 1ja1 n ASP 585 Cb 0.15 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1ja1 n ASP 585 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ja1 n GLY 586 N 0.62 0.83 0.26 0.44 0.00 -0.61 -4.90 105.19 101.83 1ja1 n GLY 586 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 1.57 -2.99 4.61 0.00 -1.08 -3.36 119.26 118.01 1ja1 h ALA 587 Ca 0.00 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 54.09 1ja1 h ALA 587 Cb 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 17.44 1ja1 h ALA 587 CO 0.00 0.32 -0.63 -0.51 0.00 0.00 0.00 179.25 178.43 1ja1 s LEU 588 N -8.95 3.68 0.18 0.00 1.43 -0.92 -4.70 118.68 109.39 1ja1 s LEU 588 Ca -0.06 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 1ja1 s LEU 588 Cb 0.16 -1.89 0.08 0.00 0.03 0.00 0.00 46.19 44.57 1ja1 s LEU 588 CO 0.73 -0.14 1.70 0.74 0.23 0.00 0.00 176.35 179.61 1ja1 h THR 589 N 5.75 1.25 -3.45 5.49 2.02 -0.53 -3.43 112.91 120.01 1ja1 h THR 589 Ca -0.34 -0.86 -0.20 0.00 0.77 0.00 0.00 66.41 65.78 1ja1 h THR 589 Cb 1.14 0.64 -0.27 0.00 -1.74 0.00 0.00 68.15 67.92 1ja1 h THR 589 CO 0.60 0.33 -0.58 -1.10 0.37 0.00 0.00 175.52 175.13 1ja1 s GLN 590 N -5.38 0.13 -0.51 6.66 -0.21 -1.22 -5.02 119.66 114.12 1ja1 s GLN 590 Ca -0.13 0.16 0.04 0.00 0.02 0.00 0.00 55.36 55.46 1ja1 s GLN 590 Cb 0.13 0.06 0.13 0.00 1.00 0.00 0.00 33.01 34.33 1ja1 s GLN 590 CO 0.82 -0.02 0.25 -1.17 -2.12 0.00 0.00 175.29 173.05 1ja1 s LEU 591 N 0.07 4.24 -0.35 2.90 2.96 -1.26 -1.80 118.68 125.45 1ja1 s LEU 591 Ca -0.00 -2.98 -0.17 0.00 -0.22 0.00 0.00 54.13 50.77 1ja1 s LEU 591 Cb -0.01 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1ja1 s LEU 591 CO 0.00 -0.24 0.43 0.20 -1.32 0.00 0.00 176.35 175.43 1ja1 s ASN 592 N -0.23 6.24 -0.16 3.68 0.01 -0.01 -5.02 114.94 119.45 1ja1 s ASN 592 Ca 0.17 -0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 1ja1 s ASN 592 Cb -0.26 -2.23 0.01 0.00 0.41 0.00 0.00 41.25 39.18 1ja1 s ASN 592 CO -0.00 -0.42 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.28 1ja1 s VAL 593 N 2.18 2.23 -0.37 1.60 1.01 -1.26 -0.30 120.40 125.49 1ja1 s VAL 593 Ca 0.15 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1ja1 s VAL 593 Cb -0.16 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1ja1 s VAL 593 CO 0.13 0.53 0.44 0.00 0.00 0.00 0.00 175.10 176.20 1ja1 s ALA 594 N 0.99 3.46 -0.68 5.51 0.00 0.29 -4.96 121.76 126.37 1ja1 s ALA 594 Ca -0.02 -1.24 -0.18 0.00 0.00 0.00 0.00 51.96 50.52 1ja1 s ALA 594 Cb -0.15 -2.96 0.13 0.00 0.00 0.00 0.00 23.12 20.14 1ja1 s ALA 594 CO -0.05 -1.29 0.78 -0.06 0.00 0.00 0.00 175.76 175.14 1ja1 s PHE 595 N 2.19 3.14 0.56 0.00 0.08 -1.26 -1.81 117.98 120.88 1ja1 s PHE 595 Ca 0.14 -1.19 0.30 0.00 0.12 0.00 0.00 56.93 56.30 1ja1 s PHE 595 Cb -0.16 -4.03 1.77 0.00 -0.57 0.00 0.00 43.02 40.03 1ja1 s PHE 595 CO 0.13 -1.28 2.23 0.66 -0.10 0.00 0.00 175.22 176.86 1ja1 h SER 596 N 8.91 0.00 -0.07 1.36 4.64 -1.06 -3.19 113.55 124.15 1ja1 h SER 596 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ja1 h SER 596 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1ja1 h SER 596 CO 1.05 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 177.57 1ja1 n ARG 597 N -3.79 2.44 0.00 4.77 1.74 0.03 -3.94 116.66 117.91 1ja1 n ARG 597 Ca -0.03 -2.02 0.14 0.00 -0.77 0.00 0.00 57.85 55.18 1ja1 n ARG 597 Cb 0.11 -1.26 0.64 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.67 1.20 -4.09 5.56 1.02 -1.20 -4.86 120.64 117.60 1ja1 n GLU 598 Ca 0.08 -0.51 -0.10 0.00 -0.02 0.00 0.00 57.16 56.61 1ja1 n GLU 598 Cb 0.45 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.30 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 -2.15 1.20 0.46 3.49 0.00 -1.26 -5.06 119.66 116.34 1ja1 s GLN 599 Ca 0.37 -1.40 0.13 0.00 -0.00 0.00 0.00 55.36 54.46 1ja1 s GLN 599 Cb 0.21 0.33 1.06 0.00 0.00 0.00 0.00 33.01 34.61 1ja1 s GLN 599 CO 0.39 -0.42 2.07 0.00 0.00 0.00 0.00 175.29 177.33 1ja1 h ALA 600 N 2.58 1.81 -2.24 2.60 0.00 -1.93 -3.43 119.26 118.66 1ja1 h ALA 600 Ca -0.33 -0.06 -0.47 0.00 0.00 0.00 0.00 54.91 54.05 1ja1 h ALA 600 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ja1 h ALA 600 CO 0.50 0.15 -0.44 -3.38 0.00 0.00 0.00 179.25 176.08 1ja1 s HIS 601 N -5.04 3.44 0.23 0.00 0.00 -1.26 -5.08 115.29 107.58 1ja1 s HIS 601 Ca -0.06 -0.01 -0.30 0.00 -3.00 0.00 0.00 55.06 51.70 1ja1 s HIS 601 Cb 0.17 -1.57 -0.09 0.00 -4.00 0.00 0.00 32.58 27.08 1ja1 s HIS 601 CO 0.70 0.45 1.02 0.15 -1.00 0.00 0.00 174.74 176.06 1ja1 s LYS 602 N -3.88 4.74 -0.20 -0.38 -0.14 -1.26 -4.78 119.74 113.83 1ja1 s LYS 602 Ca 0.34 1.62 0.01 0.00 -1.36 0.00 0.00 55.97 56.58 1ja1 s LYS 602 Cb -0.09 -3.26 0.04 0.00 -1.68 0.00 0.00 37.83 32.84 1ja1 s LYS 602 CO 0.29 0.33 -0.10 0.08 -0.76 0.00 0.00 175.35 175.19 1ja1 s VAL 603 N -0.94 1.60 0.35 3.17 1.01 -1.25 -5.03 120.40 119.31 1ja1 s VAL 603 Ca 0.44 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1ja1 s VAL 603 Cb -0.28 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 1ja1 s VAL 603 CO 0.35 0.15 0.02 -0.31 0.00 0.00 0.00 175.10 175.31 1ja1 s TYR 604 N 1.41 2.54 0.30 5.22 4.12 -1.26 -3.10 117.35 126.58 1ja1 s TYR 604 Ca -0.01 -0.48 0.02 0.00 0.02 0.00 0.00 57.07 56.62 1ja1 s TYR 604 Cb -0.16 -1.55 0.59 0.00 -1.52 0.00 0.00 41.96 39.32 1ja1 s TYR 604 CO -0.08 0.46 1.85 -0.39 0.02 0.00 0.00 175.55 177.41 1ja1 h VAL 605 N 1.79 0.93 0.00 0.71 -1.51 -1.90 -0.66 116.25 115.61 1ja1 h VAL 605 Ca -0.43 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 1ja1 h VAL 605 Cb 1.25 -0.12 -0.00 0.00 -2.13 0.00 0.00 31.29 30.29 1ja1 h VAL 605 CO 0.69 0.18 -0.03 0.06 -1.23 0.00 0.00 177.57 177.23 1ja1 h GLN 606 N 0.96 0.00 -0.18 5.19 -0.00 -1.96 -0.67 115.11 118.45 1ja1 h GLN 606 Ca 0.48 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 59.00 1ja1 h GLN 606 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.95 1ja1 h GLN 606 CO -0.24 0.03 -0.43 0.45 -0.00 0.00 0.00 178.83 178.64 1ja1 h HIS 607 N 0.00 0.52 -0.09 0.06 3.86 -1.52 -0.97 115.15 117.01 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 0.06 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 1ja1 h HIS 607 CO 0.00 0.80 -0.74 -0.07 0.86 0.00 0.00 177.93 178.78 1ja1 h LEU 608 N 0.36 0.56 -0.41 2.43 3.38 -1.10 -1.61 115.31 118.92 1ja1 h LEU 608 Ca 0.03 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1ja1 h LEU 608 Cb 0.90 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ja1 h LEU 608 CO 0.08 1.12 0.13 -0.07 0.09 0.00 0.00 178.44 179.78 1ja1 h LEU 609 N 0.32 0.59 -0.57 1.67 3.38 -0.98 -1.14 115.31 118.58 1ja1 h LEU 609 Ca -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1ja1 h LEU 609 Cb 1.32 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1ja1 h LEU 609 CO 0.13 0.64 0.33 0.50 0.09 0.00 0.00 178.44 180.13 1ja1 h LYS 610 N 0.51 0.79 -0.72 1.13 1.63 -1.12 -1.31 116.57 117.48 1ja1 h LYS 610 Ca 0.13 -0.08 0.07 0.00 -0.85 0.00 0.00 60.65 59.92 1ja1 h LYS 610 Cb 0.26 -0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 31.67 1ja1 h LYS 610 CO -0.00 0.59 0.40 -0.09 -3.45 0.00 0.00 179.45 176.89 1ja1 h ARG 611 N 0.77 0.69 -0.70 1.90 2.43 -0.94 -2.13 114.38 116.40 1ja1 h ARG 611 Ca 0.20 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1ja1 h ARG 611 Cb 0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1ja1 h ARG 611 CO -0.04 0.45 0.00 -0.25 -1.51 0.00 0.00 179.97 178.63 1ja1 n ASP 612 N -4.79 4.39 -0.24 -3.80 10.43 -0.46 -4.67 116.55 117.41 1ja1 n ASP 612 Ca 0.10 -2.66 0.04 0.00 2.57 0.00 0.00 54.79 54.84 1ja1 n ASP 612 Cb 0.22 -0.63 0.15 0.00 1.84 0.00 0.00 41.12 42.69 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 2.86 0.14 -0.13 -1.24 0.11 -0.55 -1.27 114.38 114.30 1ja1 h ARG 613 Ca 0.00 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.08 1ja1 h ARG 613 Cb 1.56 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.60 1ja1 h ARG 613 CO 0.35 0.09 0.06 1.49 0.10 0.00 0.00 179.97 182.06 1ja1 h GLU 614 N 0.14 0.13 -0.52 0.08 4.22 -1.85 -1.19 114.58 115.59 1ja1 h GLU 614 Ca 0.39 -0.01 -0.12 0.00 0.08 0.00 0.00 59.36 59.70 1ja1 h GLU 614 Cb 0.67 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ja1 h GLU 614 CO -0.60 0.09 -0.14 1.25 -2.18 0.00 0.00 179.01 177.43 1ja1 h HIS 615 N 0.14 1.13 -0.64 0.92 2.76 -1.82 -2.58 115.15 115.06 1ja1 h HIS 615 Ca 0.05 -0.24 -0.06 0.00 -2.20 0.00 0.00 60.37 57.92 1ja1 h HIS 615 Cb 0.01 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.67 1ja1 h HIS 615 CO -0.09 1.06 0.17 -0.07 -1.30 0.00 0.00 177.93 177.70 1ja1 h LEU 616 N 0.88 0.95 -1.18 0.26 3.38 -1.13 -1.93 115.31 116.55 1ja1 h LEU 616 Ca 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ja1 h LEU 616 Cb 0.70 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1ja1 h LEU 616 CO 0.05 0.93 0.44 -0.25 0.09 0.00 0.00 178.44 179.70 1ja1 h TRP 617 N 0.93 0.97 -0.41 1.13 2.91 -1.11 0.84 115.95 121.22 1ja1 h TRP 617 Ca 0.20 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.20 1ja1 h TRP 617 Cb 0.33 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.65 1ja1 h TRP 617 CO 0.02 0.65 0.18 -0.22 -1.03 0.00 0.00 178.44 178.04 1ja1 h LYS 618 N 1.02 0.60 -0.38 2.65 3.64 -1.03 0.40 116.57 123.47 1ja1 h LYS 618 Ca 0.27 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.45 1ja1 h LYS 618 Cb -0.03 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1ja1 h LYS 618 CO -0.05 0.55 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.44 1ja1 h LEU 619 N 0.52 0.71 0.05 5.20 3.38 -0.76 0.46 115.31 124.87 1ja1 h LEU 619 Ca 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ja1 h LEU 619 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ja1 h LEU 619 CO -0.01 0.89 -0.03 0.40 0.09 0.00 0.00 178.44 179.78 1ja1 h ILE 620 N 0.63 1.15 0.11 1.22 2.04 -0.59 0.23 117.51 122.30 1ja1 h ILE 620 Ca 0.10 -1.61 -0.27 0.00 1.00 0.00 0.00 64.86 64.07 1ja1 h ILE 620 Cb 0.65 2.07 0.01 0.00 -0.74 0.00 0.00 36.82 38.81 1ja1 h ILE 620 CO 0.05 0.35 -1.20 -0.74 0.00 0.00 0.00 178.15 176.61 1ja1 h HIS 621 N -0.91 0.67 0.00 1.37 2.76 -0.29 -3.27 115.15 115.50 1ja1 h HIS 621 Ca -0.01 -0.45 -0.29 0.00 -2.20 0.00 0.00 60.37 57.43 1ja1 h HIS 621 Cb 0.63 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 1ja1 h HIS 621 CO 0.15 1.32 -2.08 0.39 -1.30 0.00 0.00 177.93 176.41 1ja1 n GLU 622 N -3.66 1.35 0.00 5.26 1.02 0.00 -4.63 120.64 119.99 1ja1 n GLU 622 Ca -0.10 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 1ja1 n GLU 622 Cb 0.98 -1.40 0.20 0.00 -0.02 0.00 0.00 31.44 31.20 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 2.09 0.30 3.10 0.62 0.00 -0.31 -4.97 105.19 106.02 1ja1 n GLY 623 Ca -0.26 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 1.33 -0.53 3.73 -0.02 0.00 -0.41 -4.42 105.19 104.88 1ja1 n GLY 624 Ca 0.13 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.21 2.19 -0.17 4.61 0.00 0.67 -4.58 121.76 121.27 1ja1 s ALA 625 Ca 0.34 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 53.01 1ja1 s ALA 625 Cb -0.15 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1ja1 s ALA 625 CO 0.42 -1.74 0.01 -1.01 0.00 0.00 0.00 175.76 173.43 1ja1 s HIS 626 N -2.14 3.12 -0.14 0.00 3.76 -0.30 -4.82 115.29 114.77 1ja1 s HIS 626 Ca 0.71 -0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 55.40 1ja1 s HIS 626 Cb -0.26 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 1ja1 s HIS 626 CO 0.45 0.04 0.14 0.42 -0.85 0.00 0.00 174.74 174.94 1ja1 s ILE 627 N 0.39 5.48 -0.03 0.60 1.01 0.72 -0.98 121.20 128.38 1ja1 s ILE 627 Ca -0.01 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1ja1 s ILE 627 Cb -0.13 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1ja1 s ILE 627 CO 0.02 0.58 -0.08 -0.31 0.00 0.00 0.00 174.94 175.15 1ja1 s TYR 628 N -0.72 0.90 -0.09 3.97 1.51 0.28 -1.04 117.35 122.16 1ja1 s TYR 628 Ca 0.14 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 1ja1 s TYR 628 Cb -0.12 -0.68 0.02 0.00 -0.11 0.00 0.00 41.96 41.07 1ja1 s TYR 628 CO 0.03 -0.13 -0.13 0.08 -1.11 0.00 0.00 175.55 174.28 1ja1 s VAL 629 N 0.40 1.31 0.05 0.71 1.01 -0.50 -0.22 120.40 123.15 1ja1 s VAL 629 Ca -0.06 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1ja1 s VAL 629 Cb -0.10 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1ja1 s VAL 629 CO 0.01 0.40 -0.08 0.00 0.00 0.00 0.00 175.10 175.43 1ja1 s ALA 630 N 0.95 0.63 0.00 5.51 0.00 -0.29 -1.13 121.76 127.43 1ja1 s ALA 630 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1ja1 s ALA 630 Cb -0.15 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1ja1 s ALA 630 CO -0.00 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1ja1 n GLY 631 N 1.26 0.28 3.63 0.00 0.00 -0.95 -4.19 105.19 105.22 1ja1 n GLY 631 Ca -0.21 -1.80 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 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 3.57 0.10 1.61 4.64 -1.26 -1.20 116.55 124.01 1ja1 n ASP 632 Ca 0.00 0.66 0.06 0.00 -1.38 0.00 0.00 54.79 54.13 1ja1 n ASP 632 Cb 0.00 -1.48 0.00 0.00 -1.04 0.00 0.00 41.12 38.60 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 11.86 0.66 0.17 -1.67 0.00 -1.69 -2.19 119.26 126.40 1ja1 h ALA 633 Ca -0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1ja1 h ALA 633 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1ja1 h ALA 633 CO 0.95 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 180.54 1ja1 h ARG 634 N 0.00 -0.23 0.00 0.00 3.08 -1.90 -3.41 114.38 111.93 1ja1 h ARG 634 Ca -0.05 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1ja1 h ARG 634 Cb 1.27 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1ja1 h ARG 634 CO 0.03 0.16 -1.15 0.09 -1.07 0.00 0.00 179.97 178.03 1ja1 n ASN 635 N -5.00 0.43 0.08 7.04 4.13 -1.26 -4.66 115.26 116.01 1ja1 n ASN 635 Ca -0.09 0.03 -0.12 0.00 1.68 0.00 0.00 54.58 56.08 1ja1 n ASN 635 Cb 0.25 -0.07 -0.05 0.00 -1.54 0.00 0.00 39.78 38.37 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 -0.09 -0.39 -0.89 3.52 4.05 -1.86 -0.82 114.93 118.45 1ja1 h MET 636 Ca -0.07 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.48 1ja1 h MET 636 Cb 1.06 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.87 1ja1 h MET 636 CO -0.04 -0.26 0.53 0.00 0.23 0.00 0.00 176.91 177.38 1ja1 h ALA 637 N 0.40 1.29 -0.25 0.39 0.00 -1.62 0.15 119.26 119.63 1ja1 h ALA 637 Ca 0.05 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ja1 h ALA 637 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ja1 h ALA 637 CO -0.19 0.17 -0.13 0.87 0.00 0.00 0.00 179.25 179.96 1ja1 h LYS 638 N 0.89 0.53 -0.74 0.00 1.79 -1.71 -0.59 116.57 116.73 1ja1 h LYS 638 Ca 0.43 -0.24 -0.04 0.00 -2.18 0.00 0.00 60.65 58.63 1ja1 h LYS 638 Cb 0.38 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 1ja1 h LYS 638 CO -0.24 0.79 0.32 -0.44 -1.08 0.00 0.00 179.45 178.80 1ja1 h ASP 639 N 0.25 1.00 -0.56 0.86 3.32 -0.52 -0.14 116.42 120.63 1ja1 h ASP 639 Ca 0.05 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 1ja1 h ASP 639 Cb 0.64 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1ja1 h ASP 639 CO 0.04 0.88 0.28 0.58 -1.72 0.00 0.00 179.24 179.30 1ja1 h VAL 640 N 1.05 1.20 -0.44 -1.35 2.07 -0.64 -1.12 116.25 117.03 1ja1 h VAL 640 Ca 0.25 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1ja1 h VAL 640 Cb 0.17 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1ja1 h VAL 640 CO -0.03 0.22 0.27 -0.61 0.02 0.00 0.00 177.57 177.45 1ja1 h GLN 641 N 0.75 0.53 -0.65 1.57 4.15 -0.62 -1.74 115.11 119.10 1ja1 h GLN 641 Ca 0.19 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 1ja1 h GLN 641 Cb 0.10 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 1ja1 h GLN 641 CO -0.03 0.35 0.37 -0.91 -1.93 0.00 0.00 178.83 176.68 1ja1 h ASN 642 N 0.55 0.79 -0.32 -0.69 2.35 -0.62 -1.26 115.58 116.39 1ja1 h ASN 642 Ca 0.17 -0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1ja1 h ASN 642 Cb -0.01 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1ja1 h ASN 642 CO -0.07 0.63 -0.15 0.74 -1.65 0.00 0.00 177.43 176.93 1ja1 h THR 643 N 0.90 1.26 -0.28 2.81 2.02 -0.64 -1.76 112.91 117.22 1ja1 h THR 643 Ca 0.23 -1.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.10 1ja1 h THR 643 Cb 0.00 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1ja1 h THR 643 CO -0.04 0.41 -0.23 -0.26 0.37 0.00 0.00 175.52 175.78 1ja1 h PHE 644 N 0.68 0.59 0.14 3.16 0.05 -0.61 -0.82 116.94 120.13 1ja1 h PHE 644 Ca 0.11 -0.12 0.01 0.00 3.82 0.00 0.00 57.97 61.78 1ja1 h PHE 644 Cb 0.64 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 38.43 1ja1 h PHE 644 CO 0.03 0.71 -0.15 1.88 -0.18 0.00 0.00 178.31 180.61 1ja1 h TYR 645 N 0.47 -0.39 -0.89 -0.55 0.99 -0.68 -1.05 116.97 114.87 1ja1 h TYR 645 Ca 0.07 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.85 1ja1 h TYR 645 Cb 0.65 0.15 -0.06 0.00 1.00 0.00 0.00 36.73 38.48 1ja1 h TYR 645 CO 0.02 -0.23 0.57 -0.44 -0.00 0.00 0.00 178.16 178.08 1ja1 h ASP 646 N -0.32 0.93 -0.05 3.88 3.32 -1.00 0.95 116.42 124.12 1ja1 h ASP 646 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ja1 h ASP 646 Cb 0.31 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1ja1 h ASP 646 CO -0.05 0.62 0.03 0.40 -1.72 0.00 0.00 179.24 178.52 1ja1 h ILE 647 N 1.08 1.07 -0.73 0.35 2.04 -0.85 -1.38 117.51 119.09 1ja1 h ILE 647 Ca 0.36 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1ja1 h ILE 647 Cb 0.06 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1ja1 h ILE 647 CO -0.14 0.06 0.37 0.58 0.00 0.00 0.00 178.15 179.02 1ja1 h VAL 648 N -0.00 1.23 -0.62 1.67 2.07 -0.81 -1.56 116.25 118.23 1ja1 h VAL 648 Ca 0.02 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1ja1 h VAL 648 Cb 0.07 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1ja1 h VAL 648 CO -0.00 0.27 0.35 0.00 0.02 0.00 0.00 177.57 178.21 1ja1 h ALA 649 N 1.18 1.45 0.02 1.67 0.00 -0.58 0.27 119.26 123.27 1ja1 h ALA 649 Ca 0.25 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ja1 h ALA 649 Cb 0.09 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ja1 h ALA 649 CO -0.04 0.46 -0.26 1.49 0.00 0.00 0.00 179.25 180.91 1ja1 h GLU 650 N 0.86 0.14 -0.00 0.00 4.81 -0.86 -2.47 114.58 117.06 1ja1 h GLU 650 Ca 0.22 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1ja1 h GLU 650 Cb 0.01 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ja1 h GLU 650 CO -0.04 0.98 -0.32 1.19 -0.73 0.00 0.00 179.01 180.09 1ja1 n PHE 651 N -4.48 0.00 0.00 0.92 3.01 -0.62 -4.24 117.46 112.04 1ja1 n PHE 651 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 1ja1 n PHE 651 Cb 0.54 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.49 -2.92 3.93 1.37 0.00 0.95 -4.96 105.19 105.04 1ja1 n GLY 652 Ca 0.06 0.27 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 1ja1 n GLY 652 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ja1 s PRO 653 N -2.25 2.86 -0.08 1.61 0.02 -1.26 -5.12 135.00 130.78 1ja1 s PRO 653 Ca 0.00 -0.18 -0.31 0.00 0.02 0.00 0.00 61.00 60.52 1ja1 s PRO 653 Cb 0.00 -2.34 0.12 0.00 0.02 0.00 0.00 34.50 32.30 1ja1 s PRO 653 CO 0.00 -0.66 1.01 0.00 -0.33 0.00 0.00 177.00 177.03 1ja1 s MET 654 N -4.90 0.62 0.74 5.54 0.23 -0.93 -5.03 119.30 115.57 1ja1 s MET 654 Ca 0.53 -0.22 -0.12 0.00 -1.03 0.00 0.00 55.69 54.85 1ja1 s MET 654 Cb -0.10 0.28 0.04 0.00 -1.53 0.00 0.00 34.83 33.52 1ja1 s MET 654 CO 0.43 -0.27 1.10 -1.21 -2.03 0.00 0.00 175.02 173.05 1ja1 s GLU 655 N -2.83 2.34 0.20 3.16 0.41 -1.26 -4.54 118.70 116.18 1ja1 s GLU 655 Ca 0.07 1.28 -0.16 0.00 -0.41 0.00 0.00 54.97 55.75 1ja1 s GLU 655 Cb -0.01 -1.90 0.18 0.00 -1.78 0.00 0.00 34.13 30.62 1ja1 s GLU 655 CO -0.07 -1.59 1.62 1.25 -0.49 0.00 0.00 175.26 175.97 1ja1 h HIS 656 N -0.78 -0.52 -0.97 1.61 -0.00 -1.94 0.44 115.15 112.98 1ja1 h HIS 656 Ca -0.45 0.06 0.22 0.00 -0.00 0.00 0.00 60.37 60.20 1ja1 h HIS 656 Cb 1.24 0.32 -0.12 0.00 -0.00 0.00 0.00 27.41 28.85 1ja1 h HIS 656 CO 0.56 -0.31 0.54 1.15 -0.00 0.00 0.00 177.93 179.88 1ja1 h THR 657 N -0.07 0.58 -0.02 6.26 2.02 -2.00 0.77 112.91 120.45 1ja1 h THR 657 Ca 0.26 -0.20 -0.18 0.00 0.77 0.00 0.00 66.41 67.06 1ja1 h THR 657 Cb 0.48 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1ja1 h THR 657 CO -0.62 0.11 -0.77 1.56 0.37 0.00 0.00 175.52 176.16 1ja1 h GLN 658 N 0.59 0.20 -0.60 6.66 7.50 -1.30 -2.69 115.11 125.47 1ja1 h GLN 658 Ca 0.60 -0.19 -0.09 0.00 0.50 0.00 0.00 58.65 59.47 1ja1 h GLN 658 Cb 1.06 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.62 1ja1 h GLN 658 CO -0.45 0.88 0.02 0.00 -1.50 0.00 0.00 178.83 177.77 1ja1 h ALA 659 N 1.06 0.89 -0.04 3.87 0.00 0.21 -0.01 119.26 125.25 1ja1 h ALA 659 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ja1 h ALA 659 Cb 1.36 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ja1 h ALA 659 CO 0.12 0.66 0.02 0.28 0.00 0.00 0.00 179.25 180.33 1ja1 h VAL 660 N 0.95 1.01 -0.58 0.00 2.07 -1.01 -0.09 116.25 118.60 1ja1 h VAL 660 Ca 0.17 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1ja1 h VAL 660 Cb 0.53 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1ja1 h VAL 660 CO 0.03 0.01 0.34 0.44 0.02 0.00 0.00 177.57 178.41 1ja1 h ASP 661 N 0.05 0.53 -0.27 0.57 3.45 -1.19 0.16 116.42 119.71 1ja1 h ASP 661 Ca 0.01 0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.52 1ja1 h ASP 661 Cb 0.00 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 38.64 1ja1 h ASP 661 CO -0.00 0.36 0.08 0.22 -1.57 0.00 0.00 179.24 178.33 1ja1 h TYR 662 N 0.66 0.15 -0.51 4.55 5.03 -0.56 0.05 116.97 126.33 1ja1 h TYR 662 Ca 0.25 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.45 1ja1 h TYR 662 Cb 0.08 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.32 1ja1 h TYR 662 CO -0.07 0.06 -0.16 0.28 -1.32 0.00 0.00 178.16 176.95 1ja1 h VAL 663 N 0.20 1.27 0.00 1.81 2.07 -0.59 -2.29 116.25 118.71 1ja1 h VAL 663 Ca 0.12 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 1ja1 h VAL 663 Cb 0.10 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1ja1 h VAL 663 CO -0.14 0.46 -0.17 0.11 0.02 0.00 0.00 177.57 177.85 1ja1 h LYS 664 N 0.87 0.00 -0.18 1.57 1.57 -0.30 -2.17 116.57 117.94 1ja1 h LYS 664 Ca 0.12 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.70 1ja1 h LYS 664 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.05 1ja1 h LYS 664 CO 0.06 0.17 -0.70 -0.22 -0.57 0.00 0.00 179.45 178.18 1ja1 h LYS 665 N 0.00 0.79 -0.97 3.15 3.64 -0.53 -2.72 116.57 119.92 1ja1 h LYS 665 Ca -0.00 -0.61 0.12 0.00 -1.27 0.00 0.00 60.65 58.88 1ja1 h LYS 665 Cb 0.41 0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.27 1ja1 h LYS 665 CO 0.02 1.22 0.60 -0.07 -2.27 0.00 0.00 179.45 178.96 1ja1 h LEU 666 N 0.52 0.88 -0.59 5.20 3.38 -0.86 0.19 115.31 124.03 1ja1 h LEU 666 Ca -0.04 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ja1 h LEU 666 Cb 1.33 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1ja1 h LEU 666 CO 0.15 0.47 0.30 0.24 0.09 0.00 0.00 178.44 179.69 1ja1 h MET 667 N 0.95 0.84 -0.10 1.13 2.86 -1.37 0.47 114.93 119.71 1ja1 h MET 667 Ca 0.48 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.89 1ja1 h MET 667 Cb 0.47 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1ja1 h MET 667 CO -0.26 0.66 -0.47 1.79 1.06 0.00 0.00 176.91 179.69 1ja1 h THR 668 N 0.80 1.33 -0.29 2.22 1.35 -0.79 -2.69 112.91 114.84 1ja1 h THR 668 Ca 0.21 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1ja1 h THR 668 Cb 0.09 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1ja1 h THR 668 CO -0.03 0.50 0.00 0.29 -0.25 0.00 0.00 175.52 176.03 1ja1 n LYS 669 N -3.98 1.90 -1.61 4.72 4.76 0.51 -4.91 118.16 119.56 1ja1 n LYS 669 Ca -0.02 -1.13 -0.11 0.00 -2.87 0.00 0.00 58.31 54.18 1ja1 n LYS 669 Cb 0.52 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 1ja1 n LYS 669 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ja1 n GLY 670 N 0.82 0.78 0.61 0.72 0.00 -0.83 -4.91 105.19 102.38 1ja1 n GLY 670 Ca 0.10 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.47 2.28 -3.42 1.61 1.74 0.16 -4.80 116.66 111.76 1ja1 n ARG 671 Ca -0.11 -1.84 -0.19 0.00 -0.77 0.00 0.00 57.85 54.94 1ja1 n ARG 671 Cb 0.43 -1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 30.51 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 -0.99 -0.36 0.15 -1.55 6.04 -1.12 -0.20 117.35 119.31 1ja1 s TYR 672 Ca 0.21 -0.28 0.08 0.00 0.04 0.00 0.00 57.07 57.13 1ja1 s TYR 672 Cb 0.12 -0.51 -0.04 0.00 -1.04 0.00 0.00 41.96 40.48 1ja1 s TYR 672 CO 0.16 -0.91 -0.10 -1.12 -1.54 0.00 0.00 175.55 172.03 1ja1 s SER 673 N 2.30 4.26 0.06 4.32 0.01 -0.21 -4.27 113.70 120.16 1ja1 s SER 673 Ca 0.10 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 56.91 1ja1 s SER 673 Cb -0.14 -0.74 -0.03 0.00 0.21 0.00 0.00 66.02 65.32 1ja1 s SER 673 CO -0.32 0.13 -0.22 -0.76 0.41 0.00 0.00 173.24 172.48 1ja1 s LEU 674 N -2.58 2.20 -0.41 2.44 1.43 -1.26 -1.42 118.68 119.07 1ja1 s LEU 674 Ca 0.23 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 1ja1 s LEU 674 Cb -0.10 -1.00 0.27 0.00 0.03 0.00 0.00 46.19 45.40 1ja1 s LEU 674 CO 0.14 0.15 0.68 -3.20 0.23 0.00 0.00 176.35 174.35 1ja1 n ASN 675 N 1.67 -0.58 -4.64 2.29 2.85 -0.28 -4.87 115.26 111.69 1ja1 n ASN 675 Ca -0.18 -2.95 -0.24 0.00 -0.11 0.00 0.00 54.58 51.10 1ja1 n ASN 675 Cb 0.53 0.09 -0.08 0.00 1.24 0.00 0.00 39.78 41.56 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 -0.86 2.76 0.33 3.44 -7.23 -1.26 -2.24 120.40 115.34 1ja1 s VAL 676 Ca 0.34 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.38 1ja1 s VAL 676 Cb 0.22 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.39 1ja1 s VAL 676 CO -0.13 -0.23 0.75 -1.66 -0.31 0.00 0.00 175.10 173.52 1ja1 s TRP 677 N -2.49 -0.02 0.00 2.82 -2.14 -0.34 -4.86 118.94 111.91 1ja1 s TRP 677 Ca 0.35 -0.54 0.00 0.00 2.66 0.00 0.00 56.10 58.57 1ja1 s TRP 677 Cb -0.01 0.75 0.00 0.00 -3.10 0.00 0.00 33.47 31.11 1ja1 s TRP 677 CO 0.20 -1.39 0.38 -1.13 -2.66 0.00 0.00 176.95 172.35