#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfu s ASN 65 N 0.00 5.67 0.19 6.41 -0.87 -1.26 -4.88 114.94 120.20 1xfu s ASN 65 Ca 0.00 0.87 -0.11 0.00 -1.57 0.00 0.00 52.86 52.05 1xfu s ASN 65 Cb 0.00 -2.53 0.10 0.00 -0.02 0.00 0.00 41.25 38.81 1xfu s ASN 65 CO 0.00 -1.96 1.76 0.25 -2.57 0.00 0.00 177.10 174.58 1xfu h LEU 66 N 14.69 0.88 -8.64 0.60 5.85 -1.96 -3.42 115.31 123.31 1xfu h LEU 66 Ca -0.30 -0.15 -0.67 0.00 0.84 0.00 0.00 57.88 57.61 1xfu h LEU 66 Cb 1.16 -0.23 -0.21 0.00 0.37 0.00 0.00 40.66 41.75 1xfu h LEU 66 CO 1.11 0.78 -0.54 0.54 -0.34 0.00 0.00 178.44 179.99 1xfu s VAL 67 N -5.65 4.79 -0.23 1.05 0.11 -1.26 0.88 120.40 120.09 1xfu s VAL 67 Ca -0.13 -0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 58.56 1xfu s VAL 67 Cb 0.14 -3.41 -0.03 0.00 -1.53 0.00 0.00 36.38 31.54 1xfu s VAL 67 CO 0.80 0.10 0.07 -0.54 -3.33 0.00 0.00 175.10 172.19 1xfu s LYS 68 N 1.65 3.73 -0.40 1.54 3.01 -0.20 -4.95 119.74 124.13 1xfu s LYS 68 Ca 0.05 -0.45 -0.14 0.00 -1.01 0.00 0.00 55.97 54.42 1xfu s LYS 68 Cb -0.17 -3.29 0.02 0.00 -1.01 0.00 0.00 37.83 33.38 1xfu s LYS 68 CO 0.07 -0.07 0.28 0.95 0.51 0.00 0.00 175.35 177.10 1xfu s THR 69 N 1.30 5.16 0.01 2.17 -4.23 -1.26 -1.76 115.64 117.03 1xfu s THR 69 Ca 0.05 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.74 1xfu s THR 69 Cb -0.15 -3.86 -0.10 0.00 1.34 0.00 0.00 72.50 69.74 1xfu s THR 69 CO 0.03 -0.27 0.98 -0.08 -0.54 0.00 0.00 174.62 174.74 1xfu h GLU 70 N 8.59 -0.60 -4.95 3.99 4.57 0.11 -3.44 114.58 122.86 1xfu h GLU 70 Ca -0.27 0.04 -0.66 0.00 -1.18 0.00 0.00 59.36 57.29 1xfu h GLU 70 Cb 1.12 0.14 -0.26 0.00 -0.16 0.00 0.00 28.75 29.59 1xfu h GLU 70 CO 0.71 -0.40 -0.67 0.12 -1.18 0.00 0.00 179.01 177.59 1xfu s PHE 71 N -3.90 3.04 -0.89 0.92 5.99 -1.26 -4.92 117.98 116.96 1xfu s PHE 71 Ca -0.09 -0.78 0.06 0.00 0.00 0.00 0.00 56.93 56.13 1xfu s PHE 71 Cb 0.01 -2.18 0.33 0.00 0.00 0.00 0.00 43.02 41.18 1xfu s PHE 71 CO 0.27 -0.49 1.05 0.25 -0.00 0.00 0.00 175.22 176.30 1xfu n THR 72 N 4.85 1.03 0.00 0.12 -2.24 -1.26 -4.71 114.28 112.07 1xfu n THR 72 Ca -0.17 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1xfu n THR 72 Cb 0.50 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1xfu n THR 72 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xfu n ASN 73 N 0.28 0.00 -3.81 3.42 5.15 -1.26 -4.63 115.26 114.40 1xfu n ASN 73 Ca 0.11 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.97 1xfu n ASN 73 Cb 0.58 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.86 1xfu n ASN 73 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xfu n GLU 74 N 0.00 -0.18 0.00 1.20 4.71 -1.26 -4.97 120.64 120.14 1xfu n GLU 74 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1xfu n GLU 74 Cb 0.00 -1.04 0.00 0.00 -1.01 0.00 0.00 31.44 29.39 1xfu n GLU 74 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1xfu n THR 75 N -3.25 0.00 -0.01 2.62 -2.24 -1.26 -4.89 114.28 105.25 1xfu n THR 75 Ca -0.00 0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.91 1xfu n THR 75 Cb 0.24 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.04 1xfu n THR 75 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xfu n LEU 76 N -0.24 0.78 -0.03 3.22 7.99 -1.26 -4.70 117.00 122.76 1xfu n LEU 76 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 1xfu n LEU 76 Cb 0.00 -0.28 0.01 0.00 -0.11 0.00 0.00 43.42 43.04 1xfu n LEU 76 CO 0.00 -0.20 0.05 0.47 -1.51 0.00 0.00 177.39 176.20 1xfu n ASP 77 N -3.45 -0.04 0.28 -1.43 10.43 -1.26 0.30 116.55 121.38 1xfu n ASP 77 Ca -0.08 0.13 -0.15 0.00 2.57 0.00 0.00 54.79 57.26 1xfu n ASP 77 Cb 0.39 -0.03 -0.08 0.00 1.84 0.00 0.00 41.12 43.23 1xfu n ASP 77 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1xfu h LYS 78 N 0.00 -0.69 0.25 -1.24 1.63 -1.90 -2.65 116.57 111.98 1xfu h LYS 78 Ca 0.03 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1xfu h LYS 78 Cb 0.05 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1xfu h LYS 78 CO -0.08 -0.38 -0.15 0.82 -3.45 0.00 0.00 179.45 176.21 1xfu h ILE 79 N -0.94 0.00 0.00 2.00 2.04 0.42 0.13 117.51 121.17 1xfu h ILE 79 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1xfu h ILE 79 Cb 0.62 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1xfu h ILE 79 CO 0.12 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.94 1xfu n GLN 80 N -3.12 0.00 0.00 2.37 -0.06 0.85 -0.15 117.38 117.27 1xfu n GLN 80 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.95 1xfu n GLN 80 Cb 0.15 -0.88 0.00 0.00 -4.06 0.00 0.00 30.24 25.45 1xfu n GLN 80 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1xfu n GLN 81 N 0.32 0.00 -0.23 3.69 7.27 -0.87 -4.47 117.38 123.10 1xfu n GLN 81 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1xfu n GLN 81 Cb 0.00 -0.24 0.07 0.00 2.41 0.00 0.00 30.24 32.48 1xfu n GLN 81 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1xfu h THR 82 N 0.00 1.07 0.19 1.69 1.35 0.22 -1.50 112.91 115.94 1xfu h THR 82 Ca 0.00 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1xfu h THR 82 Cb 0.47 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1xfu h THR 82 CO 0.00 0.14 -0.24 1.56 -0.25 0.00 0.00 175.52 176.73 1xfu h GLN 83 N 0.78 -0.42 -1.44 4.72 4.20 -1.46 0.18 115.11 121.66 1xfu h GLN 83 Ca 0.26 0.03 0.46 0.00 0.06 0.00 0.00 58.65 59.46 1xfu h GLN 83 Cb 0.03 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 27.80 1xfu h GLN 83 CO -0.11 -0.28 0.97 -0.25 -0.67 0.00 0.00 178.83 178.49 1xfu n ASP 84 N -3.78 0.12 -0.03 1.46 9.92 -0.98 0.15 116.55 123.42 1xfu n ASP 84 Ca -0.05 1.13 -0.13 0.00 -0.53 0.00 0.00 54.79 55.21 1xfu n ASP 84 Cb 0.21 -0.56 -0.09 0.00 -0.64 0.00 0.00 41.12 40.04 1xfu n ASP 84 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1xfu h LEU 85 N 0.00 0.10 -0.24 0.64 5.85 0.04 -3.24 115.31 118.46 1xfu h LEU 85 Ca 0.82 -0.49 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 1xfu h LEU 85 Cb 2.87 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 43.87 1xfu h LEU 85 CO -0.28 0.58 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.03 1xfu h LEU 86 N -0.37 0.68 0.00 2.25 3.38 0.25 -2.84 115.31 118.66 1xfu h LEU 86 Ca 0.01 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1xfu h LEU 86 Cb 0.55 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xfu h LEU 86 CO 0.01 1.04 0.00 2.29 0.09 0.00 0.00 178.44 181.87 1xfu n LYS 87 N -4.30 0.00 -0.04 1.13 2.85 -0.02 -1.90 118.16 115.88 1xfu n LYS 87 Ca -0.05 0.48 -0.01 0.00 -1.05 0.00 0.00 58.31 57.69 1xfu n LYS 87 Cb 0.47 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.35 1xfu n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1xfu h LYS 88 N 0.00 0.00 -6.61 -1.58 3.11 -1.53 -3.46 116.57 106.51 1xfu h LYS 88 Ca 0.00 0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 57.25 1xfu h LYS 88 Cb 0.02 0.00 0.10 0.00 -1.00 0.00 0.00 32.23 31.35 1xfu h LYS 88 CO 0.00 0.00 0.46 -0.89 -2.81 0.00 0.00 179.45 176.21 1xfu n ILE 89 N -3.94 1.54 -1.79 2.00 5.41 -0.80 -4.87 119.36 116.91 1xfu n ILE 89 Ca -0.01 -0.38 -0.42 0.00 1.00 0.00 0.00 62.75 62.93 1xfu n ILE 89 Cb 0.05 -1.37 -0.03 0.00 -0.71 0.00 0.00 39.64 37.57 1xfu n ILE 89 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xfu s PRO 90 N -1.17 4.16 0.35 0.38 0.04 -1.26 -4.83 135.00 132.67 1xfu s PRO 90 Ca 0.62 2.48 0.01 0.00 0.04 0.00 0.00 61.00 64.15 1xfu s PRO 90 Cb -0.64 -3.85 0.05 0.00 0.04 0.00 0.00 34.50 30.09 1xfu s PRO 90 CO 0.56 -0.86 0.80 -0.22 0.04 0.00 0.00 177.00 177.33 1xfu h LYS 91 N 9.38 0.00 0.04 4.56 1.63 -1.89 0.95 116.57 131.24 1xfu h LYS 91 Ca -0.45 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 58.97 1xfu h LYS 91 Cb 1.21 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.80 1xfu h LYS 91 CO 0.94 0.00 -2.20 -0.25 -3.45 0.00 0.00 179.45 174.49 1xfu n ASP 92 N -1.82 2.01 -0.14 4.20 8.00 -1.26 -3.22 116.55 124.31 1xfu n ASP 92 Ca -0.00 0.12 0.18 0.00 0.71 0.00 0.00 54.79 55.80 1xfu n ASP 92 Cb 0.74 -0.69 0.57 0.00 -0.02 0.00 0.00 41.12 41.72 1xfu n ASP 92 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1xfu h VAL 93 N -0.27 0.74 0.57 2.53 3.04 0.63 0.33 116.25 123.83 1xfu h VAL 93 Ca -0.53 -0.10 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 1xfu h VAL 93 Cb 1.82 0.43 0.01 0.00 -2.01 0.00 0.00 31.29 31.54 1xfu h VAL 93 CO -0.11 0.05 -0.28 -0.07 -1.01 0.00 0.00 177.57 176.16 1xfu h LEU 94 N 0.28 -0.65 -1.57 3.16 3.38 -1.56 -2.78 115.31 115.58 1xfu h LEU 94 Ca 0.37 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.36 1xfu h LEU 94 Cb 1.02 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1xfu h LEU 94 CO -0.09 -0.27 0.55 -0.33 0.09 0.00 0.00 178.44 178.39 1xfu h GLU 95 N -1.12 0.00 -0.13 1.13 4.39 -0.98 2.89 114.58 120.77 1xfu h GLU 95 Ca -0.08 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.43 1xfu h GLU 95 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1xfu h GLU 95 CO 0.13 0.00 -0.72 0.82 -1.16 0.00 0.00 179.01 178.08 1xfu h ILE 96 N 0.00 1.33 0.59 3.13 2.04 -0.86 -2.88 117.51 120.87 1xfu h ILE 96 Ca 0.08 -2.02 -0.03 0.00 1.00 0.00 0.00 64.86 63.89 1xfu h ILE 96 Cb 1.17 2.01 0.01 0.00 -0.74 0.00 0.00 36.82 39.26 1xfu h ILE 96 CO -0.00 0.62 -0.29 0.22 0.00 0.00 0.00 178.15 178.71 1xfu h TYR 97 N 0.40 -0.74 0.00 1.37 3.20 0.53 -1.34 116.97 120.39 1xfu h TYR 97 Ca -0.03 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1xfu h TYR 97 Cb 1.31 0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.82 1xfu h TYR 97 CO 0.06 -0.46 0.00 -1.13 -1.64 0.00 0.00 178.16 174.99 1xfu n SER 98 N -5.31 0.31 0.00 -2.11 3.41 0.49 -0.65 113.62 109.77 1xfu n SER 98 Ca -0.10 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1xfu n SER 98 Cb 0.32 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 1xfu n SER 98 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1xfu n GLU 99 N 0.43 0.00 0.00 4.33 4.07 -1.09 -4.45 120.64 123.93 1xfu n GLU 99 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xfu n GLU 99 Cb 0.07 -0.76 0.00 0.00 -0.06 0.00 0.00 31.44 30.69 1xfu n GLU 99 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1xfu n LEU 100 N -2.47 0.47 -1.12 4.31 4.77 0.18 -4.70 117.00 118.44 1xfu n LEU 100 Ca 0.00 -0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 55.61 1xfu n LEU 100 Cb 0.40 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1xfu n LEU 100 CO 0.00 0.12 -0.14 0.61 -1.33 0.00 0.00 177.39 176.65 1xfu n GLY 101 N 0.18 1.12 3.83 -0.72 0.00 -1.08 -4.10 105.19 104.41 1xfu n GLY 101 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1xfu n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xfu s GLY 102 N -2.78 1.61 -0.10 -0.02 0.00 0.17 -4.52 107.32 101.68 1xfu s GLY 102 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 44.72 44.21 1xfu s GLY 102 CO 0.00 0.09 0.36 -0.54 0.00 0.00 0.00 173.10 173.01 1xfu s GLU 103 N -5.28 0.52 -0.07 2.90 2.02 -1.05 -4.41 118.70 113.33 1xfu s GLU 103 Ca 0.61 0.29 0.01 0.00 0.02 0.00 0.00 54.97 55.91 1xfu s GLU 103 Cb -0.13 0.24 -0.03 0.00 0.10 0.00 0.00 34.13 34.31 1xfu s GLU 103 CO 0.53 -0.10 -0.09 0.42 0.02 0.00 0.00 175.26 176.04 1xfu s ILE 104 N -0.30 3.53 -0.20 -1.63 1.01 0.25 -1.96 121.20 121.90 1xfu s ILE 104 Ca -0.04 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 1xfu s ILE 104 Cb -0.03 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1xfu s ILE 104 CO 0.02 0.59 -0.16 -0.31 0.00 0.00 0.00 174.94 175.08 1xfu s TYR 105 N -0.72 2.85 -0.42 3.97 1.51 1.32 -1.03 117.35 124.83 1xfu s TYR 105 Ca 0.11 -1.53 -0.06 0.00 -1.01 0.00 0.00 57.07 54.58 1xfu s TYR 105 Cb -0.11 -1.97 0.10 0.00 -0.11 0.00 0.00 41.96 39.87 1xfu s TYR 105 CO 0.01 -0.75 0.25 -0.06 -1.11 0.00 0.00 175.55 173.89 1xfu s PHE 106 N 1.32 3.45 0.38 2.71 0.08 -0.72 0.35 117.98 125.55 1xfu s PHE 106 Ca 0.04 -1.97 0.08 0.00 0.12 0.00 0.00 56.93 55.19 1xfu s PHE 106 Cb -0.14 -3.16 -0.02 0.00 -0.57 0.00 0.00 43.02 39.14 1xfu s PHE 106 CO -0.10 -0.93 0.37 0.95 -0.10 0.00 0.00 175.22 175.40 1xfu s THR 107 N 1.29 3.16 0.00 0.64 -4.23 0.67 0.87 115.64 118.03 1xfu s THR 107 Ca 0.05 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1xfu s THR 107 Cb -0.24 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.50 1xfu s THR 107 CO -0.01 -0.08 0.00 -0.67 -0.54 0.00 0.00 174.62 173.31 1xfu n ASP 108 N -1.51 0.00 -0.93 3.99 4.64 -1.26 -3.93 116.55 117.54 1xfu n ASP 108 Ca 0.02 0.00 0.04 0.00 -1.38 0.00 0.00 54.79 53.47 1xfu n ASP 108 Cb 0.60 0.00 0.15 0.00 -1.04 0.00 0.00 41.12 40.83 1xfu n ASP 108 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1xfu n ILE 109 N 0.00 1.61 0.48 5.18 5.41 -1.26 -3.28 119.36 127.50 1xfu n ILE 109 Ca 0.00 -2.68 0.00 0.00 1.00 0.00 0.00 62.75 61.07 1xfu n ILE 109 Cb 0.00 0.08 0.00 0.00 -0.71 0.00 0.00 39.64 39.01 1xfu n ILE 109 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1xfu n ASP 110 N -0.66 0.28 0.00 4.38 9.92 -1.26 -4.62 116.55 124.58 1xfu n ASP 110 Ca 0.16 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.66 1xfu n ASP 110 Cb 0.83 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 1xfu n ASP 110 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1xfu n LEU 111 N 0.09 0.00 0.00 0.64 4.77 -1.26 -3.55 117.00 117.69 1xfu n LEU 111 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xfu n LEU 111 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1xfu n LEU 111 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.58 1xfu n VAL 112 N -0.55 0.00 0.05 4.08 0.31 -1.26 -4.67 118.33 116.28 1xfu n VAL 112 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xfu n VAL 112 Cb 0.00 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 1xfu n VAL 112 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xfu n GLU 113 N -0.99 0.10 0.05 5.55 1.02 -1.26 -3.55 120.64 121.57 1xfu n GLU 113 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1xfu n GLU 113 Cb 0.00 -1.45 0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1xfu n GLU 113 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xfu n HIS 114 N 1.31 0.45 -1.72 -0.32 8.25 -1.23 -4.51 115.22 117.45 1xfu n HIS 114 Ca 0.00 0.13 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1xfu n HIS 114 Cb 0.05 -0.59 -0.03 0.00 1.12 0.00 0.00 29.99 30.54 1xfu n HIS 114 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xfu n LYS 115 N -2.14 2.73 0.00 -0.41 0.00 -1.23 -4.72 118.16 112.38 1xfu n LYS 115 Ca 0.02 0.98 0.00 0.00 0.00 0.00 0.00 58.31 59.31 1xfu n LYS 115 Cb 0.46 -2.82 0.00 0.00 0.00 0.00 0.00 35.03 32.68 1xfu n LYS 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xfu n GLU 116 N 3.67 0.00 -0.09 1.64 0.28 -1.26 0.15 120.64 125.03 1xfu n GLU 116 Ca 0.15 0.16 0.02 0.00 -0.16 0.00 0.00 57.16 57.33 1xfu n GLU 116 Cb 0.35 -1.60 0.02 0.00 1.43 0.00 0.00 31.44 31.64 1xfu n GLU 116 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1xfu n LEU 117 N -1.08 1.12 -0.99 -1.84 7.99 -1.26 -4.83 117.00 116.10 1xfu n LEU 117 Ca 0.00 -1.39 0.08 0.00 -0.01 0.00 0.00 56.01 54.70 1xfu n LEU 117 Cb 0.10 -0.07 0.24 0.00 -0.11 0.00 0.00 43.42 43.57 1xfu n LEU 117 CO 0.00 0.34 0.70 0.00 -1.51 0.00 0.00 177.39 176.92 1xfu n GLN 118 N -0.42 2.93 -0.42 3.23 1.13 0.39 -5.02 117.38 119.20 1xfu n GLN 118 Ca 0.03 -2.40 -0.04 0.00 -1.94 0.00 0.00 57.00 52.65 1xfu n GLN 118 Cb 0.46 -1.47 0.03 0.00 0.11 0.00 0.00 30.24 29.37 1xfu n GLN 118 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xfu n ASP 119 N 0.89 0.05 -4.55 1.08 10.43 -1.26 -4.76 116.55 118.44 1xfu n ASP 119 Ca 0.18 -1.10 -0.30 0.00 2.57 0.00 0.00 54.79 56.14 1xfu n ASP 119 Cb 0.57 -0.15 -0.04 0.00 1.84 0.00 0.00 41.12 43.34 1xfu n ASP 119 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1xfu s LEU 120 N 0.00 3.24 0.02 0.64 1.98 -1.26 -4.75 118.68 118.55 1xfu s LEU 120 Ca 0.12 0.63 0.00 0.00 -2.89 0.00 0.00 54.13 51.99 1xfu s LEU 120 Cb -0.00 -2.52 0.00 0.00 0.66 0.00 0.00 46.19 44.33 1xfu s LEU 120 CO 0.08 -3.06 0.00 -1.20 -1.89 0.00 0.00 176.35 170.28 1xfu n SER 121 N 16.10 0.04 -3.16 3.68 7.64 -1.26 -4.98 113.62 131.67 1xfu n SER 121 Ca 0.37 0.02 -0.20 0.00 1.01 0.00 0.00 58.87 60.07 1xfu n SER 121 Cb 0.51 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1xfu n SER 121 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1xfu n GLU 122 N -2.58 0.46 0.00 1.43 0.00 -1.26 -5.09 120.64 113.60 1xfu n GLU 122 Ca 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 57.16 54.31 1xfu n GLU 122 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 29.96 1xfu n GLU 122 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1xfu n GLU 123 N 2.31 0.00 -4.04 3.44 0.00 -1.26 -4.48 120.64 116.61 1xfu n GLU 123 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 57.06 1xfu n GLU 123 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 31.44 31.82 1xfu n GLU 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1xfu s GLU 124 N 0.41 2.43 -0.05 3.44 2.56 -1.26 -4.95 118.70 121.27 1xfu s GLU 124 Ca 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 54.97 53.69 1xfu s GLU 124 Cb 0.00 -2.90 -0.03 0.00 2.00 0.00 0.00 34.13 33.20 1xfu s GLU 124 CO 0.00 -0.51 -0.10 1.63 -0.56 0.00 0.00 175.26 175.71 1xfu n LYS 125 N 4.51 0.17 -4.50 4.30 4.76 -1.26 -5.04 118.16 121.10 1xfu n LYS 125 Ca -0.15 0.07 -0.27 0.00 -2.87 0.00 0.00 58.31 55.09 1xfu n LYS 125 Cb 0.44 -0.78 -0.17 0.00 -1.84 0.00 0.00 35.03 32.68 1xfu n LYS 125 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xfu s ASN 126 N -5.81 2.20 -0.95 4.39 -0.87 -1.26 -5.12 114.94 107.53 1xfu s ASN 126 Ca -0.10 -0.37 -0.21 0.00 -1.57 0.00 0.00 52.86 50.60 1xfu s ASN 126 Cb 0.03 -0.98 0.09 0.00 -0.02 0.00 0.00 41.25 40.37 1xfu s ASN 126 CO 0.14 0.02 1.27 -0.44 -2.57 0.00 0.00 177.10 175.51 1xfu s SER 127 N 0.90 6.53 -0.27 -1.22 0.01 -1.26 -4.79 113.70 113.60 1xfu s SER 127 Ca -0.09 -1.67 0.22 0.00 1.31 0.00 0.00 55.95 55.71 1xfu s SER 127 Cb -0.15 -2.48 0.50 0.00 0.21 0.00 0.00 66.02 64.09 1xfu s SER 127 CO 0.00 -1.31 1.14 1.15 0.41 0.00 0.00 173.24 174.64 1xfu n MET 128 N 7.75 1.66 0.00 12.44 0.00 -1.26 -4.97 117.12 132.73 1xfu n MET 128 Ca 0.26 -3.28 0.00 0.00 0.00 0.00 0.00 57.70 54.68 1xfu n MET 128 Cb 0.50 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 32.32 1xfu n MET 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1xfu n ASN 129 N -0.65 0.00 -3.25 3.17 5.03 -1.26 -4.98 115.26 113.32 1xfu n ASN 129 Ca 0.05 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1xfu n ASN 129 Cb 0.81 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.57 1xfu n ASN 129 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1xfu n SER 130 N -0.02 -0.39 -0.18 6.41 3.41 -1.26 -4.89 113.62 116.71 1xfu n SER 130 Ca 0.00 -0.14 -0.05 0.00 -0.26 0.00 0.00 58.87 58.42 1xfu n SER 130 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1xfu n SER 130 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xfu h ARG 131 N 0.00 -0.01 0.00 4.33 2.43 -1.97 -3.38 114.38 115.78 1xfu h ARG 131 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xfu h ARG 131 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1xfu h ARG 131 CO 0.00 -0.01 -0.31 0.41 -1.51 0.00 0.00 179.97 178.55 1xfu n GLY 132 N -1.11 -0.41 0.00 2.80 0.00 -1.26 -5.04 105.19 100.17 1xfu n GLY 132 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1xfu n GLY 132 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xfu n GLU 133 N -3.18 0.00 0.18 1.61 4.07 -1.26 -4.70 120.64 117.37 1xfu n GLU 133 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1xfu n GLU 133 Cb 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.54 1xfu n GLU 133 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1xfu n LYS 134 N -0.15 0.00 -1.27 5.31 4.81 -1.26 -4.92 118.16 120.69 1xfu n LYS 134 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1xfu n LYS 134 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1xfu n LYS 134 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1xfu n VAL 135 N -3.24 0.00 -1.34 3.15 3.14 -1.26 -4.95 118.33 113.83 1xfu n VAL 135 Ca 0.00 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.15 1xfu n VAL 135 Cb 0.00 -1.15 -0.09 0.00 -1.06 0.00 0.00 33.84 31.53 1xfu n VAL 135 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1xfu n PRO 136 N -2.47 2.53 0.00 1.45 -0.04 -1.26 -4.86 135.00 130.35 1xfu n PRO 136 Ca -0.09 -1.93 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1xfu n PRO 136 Cb 0.33 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1xfu n PRO 136 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xfu n PHE 137 N 1.73 0.00 -0.11 0.54 7.35 -1.26 0.22 117.46 125.94 1xfu n PHE 137 Ca 0.50 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 57.38 1xfu n PHE 137 Cb 0.64 0.00 0.30 0.00 0.35 0.00 0.00 39.48 40.77 1xfu n PHE 137 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xfu n ALA 138 N -0.99 0.69 -0.98 3.13 0.00 -1.26 0.99 120.51 122.08 1xfu n ALA 138 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 1xfu n ALA 138 Cb 0.00 -0.41 0.26 0.00 0.00 0.00 0.00 19.45 19.30 1xfu n ALA 138 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xfu n SER 139 N -2.76 4.47 -4.70 0.00 3.41 0.13 -4.73 113.62 109.45 1xfu n SER 139 Ca 0.16 -3.26 -0.23 0.00 -0.26 0.00 0.00 58.87 55.28 1xfu n SER 139 Cb 1.18 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1xfu n SER 139 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xfu s ARG 140 N -2.94 2.49 0.00 4.33 1.81 0.28 -5.02 118.95 119.90 1xfu s ARG 140 Ca 0.53 -1.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 1xfu s ARG 140 Cb 0.43 -2.30 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 1xfu s ARG 140 CO 0.12 0.38 0.14 1.97 -0.68 0.00 0.00 175.30 177.24 1xfu n PHE 141 N -0.91 0.00 -4.34 -0.53 -1.74 -1.26 -4.70 117.46 103.98 1xfu n PHE 141 Ca -0.07 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.62 1xfu n PHE 141 Cb 0.58 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.43 1xfu n PHE 141 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1xfu s VAL 142 N -0.23 0.72 -0.14 1.97 1.01 -1.26 -2.07 120.40 120.39 1xfu s VAL 142 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.38 1xfu s VAL 142 Cb 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 36.38 35.81 1xfu s VAL 142 CO 0.00 0.23 0.77 0.12 0.00 0.00 0.00 175.10 176.23 1xfu s PHE 143 N 0.28 -0.63 -0.23 5.22 5.36 -0.50 -5.01 117.98 122.47 1xfu s PHE 143 Ca -0.04 1.24 -0.03 0.00 -0.96 0.00 0.00 56.93 57.13 1xfu s PHE 143 Cb -0.09 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.97 1xfu s PHE 143 CO 0.00 -0.48 -0.06 -2.00 -1.46 0.00 0.00 175.22 171.23 1xfu s GLU 144 N -0.69 3.22 -1.19 10.12 2.56 -1.26 -0.08 118.70 131.39 1xfu s GLU 144 Ca -0.06 -0.73 -0.19 0.00 0.00 0.00 0.00 54.97 54.00 1xfu s GLU 144 Cb -0.02 -2.98 -0.03 0.00 2.00 0.00 0.00 34.13 33.11 1xfu s GLU 144 CO 0.05 -0.25 1.94 1.17 -0.56 0.00 0.00 175.26 177.61 1xfu n LYS 145 N 4.76 2.34 -0.25 4.30 4.81 -0.05 -4.86 118.16 129.20 1xfu n LYS 145 Ca -0.18 -2.60 0.20 0.00 -0.87 0.00 0.00 58.31 54.87 1xfu n LYS 145 Cb 0.50 -3.38 0.31 0.00 0.02 0.00 0.00 35.03 32.48 1xfu n LYS 145 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1xfu n LYS 146 N 7.52 0.00 -0.01 1.64 2.85 -1.26 -4.18 118.16 124.72 1xfu n LYS 146 Ca 0.49 0.47 -0.13 0.00 -1.05 0.00 0.00 58.31 58.09 1xfu n LYS 146 Cb 0.43 -1.12 -0.14 0.00 -0.65 0.00 0.00 35.03 33.56 1xfu n LYS 146 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xfu n ARG 147 N -2.64 0.68 0.00 -1.58 1.74 -1.26 -4.92 116.66 108.68 1xfu n ARG 147 Ca 0.17 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1xfu n ARG 147 Cb 0.84 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1xfu n ARG 147 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1xfu n GLU 148 N -3.20 0.00 -3.31 5.56 4.07 -1.26 -5.02 120.64 117.48 1xfu n GLU 148 Ca -0.22 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.55 1xfu n GLU 148 Cb 1.05 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.37 1xfu n GLU 148 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1xfu s THR 149 N -0.75 4.82 0.19 6.31 -1.32 -1.26 -5.01 115.64 118.62 1xfu s THR 149 Ca 0.00 0.75 -0.30 0.00 -1.21 0.00 0.00 61.69 60.93 1xfu s THR 149 Cb 0.00 -3.67 -0.08 0.00 -1.51 0.00 0.00 72.50 67.24 1xfu s THR 149 CO 0.00 0.02 0.98 -2.16 -2.21 0.00 0.00 174.62 171.25 1xfu s PRO 150 N -2.52 4.75 -0.28 7.08 0.04 -1.26 -4.82 135.00 137.99 1xfu s PRO 150 Ca 0.46 1.53 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 1xfu s PRO 150 Cb -0.13 -3.31 0.09 0.00 0.04 0.00 0.00 34.50 31.20 1xfu s PRO 150 CO 0.20 0.33 0.08 0.15 0.04 0.00 0.00 177.00 177.81 1xfu s LYS 151 N -0.68 0.65 -0.22 4.56 1.02 -1.26 -2.53 119.74 121.27 1xfu s LYS 151 Ca 0.44 -0.85 -0.20 0.00 0.02 0.00 0.00 55.97 55.39 1xfu s LYS 151 Cb -0.26 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1xfu s LYS 151 CO 0.32 -0.91 0.60 -1.17 -0.92 0.00 0.00 175.35 173.28 1xfu s LEU 152 N 1.74 4.11 -0.16 3.17 2.96 -0.83 -0.87 118.68 128.79 1xfu s LEU 152 Ca 0.07 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.73 1xfu s LEU 152 Cb -0.17 -2.83 0.01 0.00 0.50 0.00 0.00 46.19 43.70 1xfu s LEU 152 CO -0.23 -0.29 -0.18 -0.63 -1.32 0.00 0.00 176.35 173.70 1xfu s ILE 153 N 2.09 2.30 -0.00 6.68 1.01 0.89 0.40 121.20 134.56 1xfu s ILE 153 Ca 0.26 -0.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 1xfu s ILE 153 Cb -0.16 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1xfu s ILE 153 CO 0.09 0.53 0.21 -0.63 0.00 0.00 0.00 174.94 175.14 1xfu s ILE 154 N 1.01 0.07 0.20 2.92 -1.09 1.09 -1.41 121.20 124.00 1xfu s ILE 154 Ca -0.02 -0.59 -0.03 0.00 -2.23 0.00 0.00 60.65 57.78 1xfu s ILE 154 Cb -0.15 -0.51 -0.04 0.00 -1.58 0.00 0.00 42.46 40.19 1xfu s ILE 154 CO -0.05 -0.33 0.17 0.54 -1.23 0.00 0.00 174.94 174.04 1xfu s ASN 155 N -1.35 0.13 0.05 3.58 4.22 -0.88 -0.24 114.94 120.45 1xfu s ASN 155 Ca -0.14 -1.32 -0.05 0.00 -2.14 0.00 0.00 52.86 49.21 1xfu s ASN 155 Cb -0.07 0.40 -0.01 0.00 1.28 0.00 0.00 41.25 42.85 1xfu s ASN 155 CO 0.03 -0.87 0.09 -0.63 -2.04 0.00 0.00 177.10 173.67 1xfu s ILE 156 N -4.13 0.15 0.00 0.54 1.09 -1.21 -4.86 121.20 112.78 1xfu s ILE 156 Ca 0.36 -1.24 0.00 0.00 -1.10 0.00 0.00 60.65 58.67 1xfu s ILE 156 Cb 0.06 -1.08 0.00 0.00 -1.06 0.00 0.00 42.46 40.38 1xfu s ILE 156 CO 0.11 -0.68 0.00 1.17 -0.10 0.00 0.00 174.94 175.44 1xfu n LYS 157 N 0.51 0.00 0.00 2.79 3.00 -1.26 -4.60 118.16 118.60 1xfu n LYS 157 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 1xfu n LYS 157 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 1xfu n LYS 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfu n ASP 158 N -0.91 0.43 0.39 3.14 9.92 -1.26 -4.98 116.55 123.29 1xfu n ASP 158 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 1xfu n ASP 158 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1xfu n ASP 158 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1xfu h TYR 159 N 0.00 -1.10 -3.10 1.24 -1.99 -1.99 -3.48 116.97 106.54 1xfu h TYR 159 Ca 0.00 -0.01 -0.57 0.00 2.00 0.00 0.00 58.73 60.14 1xfu h TYR 159 Cb 0.00 0.39 -0.05 0.00 2.00 0.00 0.00 36.73 39.07 1xfu h TYR 159 CO 0.00 -0.64 0.75 0.00 -0.00 0.00 0.00 178.16 178.27 1xfu s ALA 160 N -5.99 3.61 0.00 3.88 0.00 -1.26 -4.86 121.76 117.14 1xfu s ALA 160 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1xfu s ALA 160 Cb 0.03 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1xfu s ALA 160 CO 0.61 -0.95 0.00 -0.89 0.00 0.00 0.00 175.76 174.53 1xfu n ILE 161 N 5.12 0.00 0.08 0.00 5.41 -1.26 -4.88 119.36 123.83 1xfu n ILE 161 Ca 0.11 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.74 1xfu n ILE 161 Cb 0.47 -0.46 -0.08 0.00 -0.71 0.00 0.00 39.64 38.85 1xfu n ILE 161 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1xfu h ASN 162 N 0.00 -0.20 0.00 4.38 2.35 -1.95 -3.14 115.58 117.02 1xfu h ASN 162 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1xfu h ASN 162 Cb 0.54 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1xfu h ASN 162 CO 0.00 0.23 0.00 -1.20 -1.65 0.00 0.00 177.43 174.81 1xfu n SER 163 N -5.00 0.00 -4.09 5.81 7.64 -1.26 -1.57 113.62 115.15 1xfu n SER 163 Ca -0.09 0.26 -0.36 0.00 1.01 0.00 0.00 58.87 59.70 1xfu n SER 163 Cb 0.25 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 1xfu n SER 163 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1xfu n GLU 164 N -1.21 2.61 0.00 1.43 2.13 -1.26 -4.89 120.64 119.45 1xfu n GLU 164 Ca 0.00 -4.48 0.00 0.00 0.66 0.00 0.00 57.16 53.34 1xfu n GLU 164 Cb 0.00 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 29.31 1xfu n GLU 164 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xfu n GLN 165 N 2.25 0.00 0.05 5.31 6.02 -0.61 -2.40 117.38 128.00 1xfu n GLN 165 Ca 0.22 0.18 0.01 0.00 -0.01 0.00 0.00 57.00 57.41 1xfu n GLN 165 Cb 0.37 -1.64 0.07 0.00 1.02 0.00 0.00 30.24 30.05 1xfu n GLN 165 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xfu n SER 166 N -1.11 0.06 -0.05 1.08 2.88 -1.26 -0.88 113.62 114.34 1xfu n SER 166 Ca 0.00 0.25 -0.04 0.00 -1.33 0.00 0.00 58.87 57.76 1xfu n SER 166 Cb 0.14 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.38 1xfu n SER 166 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xfu n LYS 167 N -1.41 0.33 0.00 -1.46 2.85 -1.01 -4.27 118.16 113.19 1xfu n LYS 167 Ca -0.00 0.42 0.00 0.00 -1.05 0.00 0.00 58.31 57.68 1xfu n LYS 167 Cb 0.38 -1.40 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 1xfu n LYS 167 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1xfu n GLU 168 N -3.94 0.00 0.17 -1.58 2.13 -0.06 -0.87 120.64 116.49 1xfu n GLU 168 Ca -0.06 0.48 0.05 0.00 0.66 0.00 0.00 57.16 58.29 1xfu n GLU 168 Cb 0.21 -1.50 0.26 0.00 0.27 0.00 0.00 31.44 30.67 1xfu n GLU 168 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1xfu h VAL 169 N 0.00 0.89 0.00 6.31 3.04 -1.41 -2.81 116.25 122.27 1xfu h VAL 169 Ca 0.00 -1.72 -0.07 0.00 -1.01 0.00 0.00 66.70 63.90 1xfu h VAL 169 Cb 0.01 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 1xfu h VAL 169 CO 0.00 0.41 -0.32 1.88 -1.01 0.00 0.00 177.57 178.52 1xfu h TYR 170 N 0.00 0.00 0.00 3.17 -1.99 -1.21 -1.80 116.97 115.14 1xfu h TYR 170 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xfu h TYR 170 Cb 1.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.76 1xfu h TYR 170 CO 0.00 0.32 0.00 0.98 -0.00 0.00 0.00 178.16 179.46 1xfu n TYR 171 N -3.29 0.21 -0.13 4.88 9.36 -1.06 0.24 117.16 127.37 1xfu n TYR 171 Ca 0.01 0.09 -0.25 0.00 3.32 0.00 0.00 57.90 61.07 1xfu n TYR 171 Cb 0.58 -0.64 -0.09 0.00 -0.63 0.00 0.00 39.34 38.56 1xfu n TYR 171 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1xfu n GLU 172 N -1.69 0.57 0.05 2.98 4.71 -0.74 -3.46 120.64 123.06 1xfu n GLU 172 Ca 0.02 0.30 -0.11 0.00 -0.01 0.00 0.00 57.16 57.36 1xfu n GLU 172 Cb 0.15 -1.52 -0.08 0.00 -1.01 0.00 0.00 31.44 28.98 1xfu n GLU 172 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1xfu h ILE 173 N -1.00 0.95 -0.99 -3.67 2.10 -1.30 3.40 117.51 117.00 1xfu h ILE 173 Ca -0.54 -1.13 0.29 0.00 1.08 0.00 0.00 64.86 64.56 1xfu h ILE 173 Cb 1.45 1.58 -0.04 0.00 -1.09 0.00 0.00 36.82 38.72 1xfu h ILE 173 CO -0.32 0.24 1.01 1.23 -1.08 0.00 0.00 178.15 179.22 1xfu h GLY 174 N -0.80 0.00 0.00 8.18 0.00 0.28 0.82 103.07 111.55 1xfu h GLY 174 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1xfu h GLY 174 CO 0.03 0.00 -0.12 1.70 0.00 0.00 0.00 176.54 178.15 1xfu h LYS 175 N 0.00 0.00 0.00 4.80 3.64 -1.42 -3.40 116.57 120.19 1xfu h LYS 175 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1xfu h LYS 175 Cb 2.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.30 1xfu h LYS 175 CO -0.00 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.59 1xfu n GLY 176 N 1.77 0.00 0.00 5.01 0.00 1.12 0.27 105.19 113.36 1xfu n GLY 176 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1xfu n GLY 176 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xfu n ILE 177 N -3.44 0.00 0.00 -0.61 -5.35 -0.59 -1.78 119.36 107.60 1xfu n ILE 177 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1xfu n ILE 177 Cb 0.00 -0.88 0.00 0.00 -1.74 0.00 0.00 39.64 37.02 1xfu n ILE 177 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1xfu n SER 178 N -0.84 0.00 0.25 7.28 3.41 0.75 -4.66 113.62 119.81 1xfu n SER 178 Ca 0.00 0.14 -0.15 0.00 -0.26 0.00 0.00 58.87 58.60 1xfu n SER 178 Cb 0.00 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 63.57 1xfu n SER 178 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1xfu h LEU 179 N 0.00 -0.53 0.00 1.04 -0.00 -1.71 -3.40 115.31 110.71 1xfu h LEU 179 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1xfu h LEU 179 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1xfu h LEU 179 CO 0.00 -0.22 0.00 -0.90 -0.00 0.00 0.00 178.44 177.32 1xfu n ASP 180 N -5.28 0.00 0.10 0.17 5.75 -0.73 0.39 116.55 116.95 1xfu n ASP 180 Ca -0.11 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.71 1xfu n ASP 180 Cb 0.30 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.62 1xfu n ASP 180 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xfu n ILE 181 N -0.35 0.84 0.03 2.12 3.06 -1.26 0.33 119.36 124.14 1xfu n ILE 181 Ca 0.00 0.65 0.02 0.00 -2.50 0.00 0.00 62.75 60.92 1xfu n ILE 181 Cb 0.00 -1.65 0.03 0.00 0.54 0.00 0.00 39.64 38.56 1xfu n ILE 181 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1xfu n ILE 182 N -1.77 0.54 -2.74 9.51 0.00 0.16 -3.59 119.36 121.47 1xfu n ILE 182 Ca -0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 62.75 61.86 1xfu n ILE 182 Cb 0.27 0.76 0.05 0.00 0.00 0.00 0.00 39.64 40.72 1xfu n ILE 182 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1xfu n SER 183 N -0.03 0.93 -0.18 9.51 2.88 1.00 -4.38 113.62 123.36 1xfu n SER 183 Ca 0.03 -1.72 0.29 0.00 -1.33 0.00 0.00 58.87 56.15 1xfu n SER 183 Cb 0.20 -0.28 0.65 0.00 -0.75 0.00 0.00 64.21 64.03 1xfu n SER 183 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1xfu h LYS 184 N 0.00 0.00 -0.19 -1.46 1.63 -1.90 -0.67 116.57 113.99 1xfu h LYS 184 Ca -0.16 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1xfu h LYS 184 Cb 0.66 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1xfu h LYS 184 CO 0.20 0.00 0.13 0.22 -3.45 0.00 0.00 179.45 176.55 1xfu h ASP 185 N 0.00 0.05 0.00 4.20 -0.00 -1.86 -3.36 116.42 115.44 1xfu h ASP 185 Ca 0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.48 1xfu h ASP 185 Cb 2.23 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 41.55 1xfu h ASP 185 CO -0.00 0.03 0.00 1.17 -0.00 0.00 0.00 179.24 180.44 1xfu n LYS 186 N -4.49 1.67 0.00 0.28 4.81 -0.38 -3.42 118.16 116.63 1xfu n LYS 186 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1xfu n LYS 186 Cb 0.23 -0.15 0.00 0.00 0.02 0.00 0.00 35.03 35.13 1xfu n LYS 186 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1xfu n SER 187 N -0.02 0.00 -3.88 3.14 2.88 -0.49 -3.67 113.62 111.57 1xfu n SER 187 Ca 0.00 0.03 -0.25 0.00 -1.33 0.00 0.00 58.87 57.31 1xfu n SER 187 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 1xfu n SER 187 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xfu n LEU 188 N -0.04 -1.86 0.00 2.46 -0.00 -1.26 -4.80 117.00 111.50 1xfu n LEU 188 Ca 0.00 -0.26 -0.17 0.00 -0.00 0.00 0.00 56.01 55.57 1xfu n LEU 188 Cb 0.00 -0.81 0.13 0.00 -0.00 0.00 0.00 43.42 42.74 1xfu n LEU 188 CO 0.00 -3.12 0.44 0.47 -0.00 0.00 0.00 177.39 175.17 1xfu n ASP 189 N -1.03 -0.73 -2.55 1.45 8.00 -1.24 -4.61 116.55 115.83 1xfu n ASP 189 Ca 0.03 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.44 1xfu n ASP 189 Cb 0.49 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1xfu n ASP 189 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1xfu n PRO 190 N -3.01 0.00 -0.72 -0.24 -0.02 -1.22 -4.27 135.00 125.52 1xfu n PRO 190 Ca 0.09 -0.03 -0.26 0.00 -2.02 0.00 0.00 63.50 61.28 1xfu n PRO 190 Cb 0.34 -1.51 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 1xfu n PRO 190 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xfu n GLU 191 N 3.10 0.00 -0.31 -0.52 -0.58 -1.26 -2.65 120.64 118.43 1xfu n GLU 191 Ca 0.00 0.00 0.25 0.00 -0.42 0.00 0.00 57.16 56.99 1xfu n GLU 191 Cb 0.00 -0.57 0.41 0.00 -0.57 0.00 0.00 31.44 30.71 1xfu n GLU 191 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1xfu n PHE 192 N 0.22 0.30 -0.09 -0.32 3.01 -1.26 0.71 117.46 120.03 1xfu n PHE 192 Ca 0.09 0.30 -0.07 0.00 1.01 0.00 0.00 57.45 58.78 1xfu n PHE 192 Cb 0.10 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 38.91 1xfu n PHE 192 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1xfu h LEU 193 N 0.00 -0.82 0.00 4.37 3.38 -1.96 0.92 115.31 121.20 1xfu h LEU 193 Ca 0.52 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.65 1xfu h LEU 193 Cb 1.79 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.94 1xfu h LEU 193 CO -0.20 -0.28 -0.99 -3.20 0.09 0.00 0.00 178.44 173.86 1xfu n ASN 194 N -5.39 0.62 0.15 -0.43 2.85 0.22 -2.33 115.26 110.96 1xfu n ASN 194 Ca 0.01 -0.21 0.01 0.00 -0.11 0.00 0.00 54.58 54.28 1xfu n ASN 194 Cb 0.30 0.75 0.23 0.00 1.24 0.00 0.00 39.78 42.30 1xfu n ASN 194 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1xfu h LEU 195 N 0.00 0.00 0.08 1.20 5.85 -0.04 -2.33 115.31 120.07 1xfu h LEU 195 Ca 0.00 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.35 1xfu h LEU 195 Cb 0.72 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1xfu h LEU 195 CO 0.00 0.54 -2.15 -0.38 -0.34 0.00 0.00 178.44 176.11 1xfu n ILE 196 N -3.74 1.68 0.24 4.05 5.41 0.31 -3.44 119.36 123.87 1xfu n ILE 196 Ca -0.01 -0.64 0.17 0.00 1.00 0.00 0.00 62.75 63.27 1xfu n ILE 196 Cb 0.57 -1.59 0.87 0.00 -0.71 0.00 0.00 39.64 38.79 1xfu n ILE 196 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1xfu h LYS 197 N 0.05 0.00 -0.21 0.38 1.79 -1.48 1.13 116.57 118.22 1xfu h LYS 197 Ca -0.47 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.80 1xfu h LYS 197 Cb 2.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 1xfu h LYS 197 CO 0.03 0.00 -0.65 1.03 -1.08 0.00 0.00 179.45 178.78 1xfu h SER 198 N 0.00 0.87 -0.14 0.86 0.87 -1.52 -3.05 113.55 111.45 1xfu h SER 198 Ca 0.06 -0.51 0.04 0.00 -1.23 0.00 0.00 61.79 60.15 1xfu h SER 198 Cb 0.36 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1xfu h SER 198 CO -0.00 1.30 0.11 -0.07 -0.53 0.00 0.00 176.83 177.64 1xfu h LEU 199 N 0.56 0.00 -3.72 2.23 3.38 0.13 -3.17 115.31 114.72 1xfu h LEU 199 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xfu h LEU 199 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1xfu h LEU 199 CO 0.13 0.00 0.00 -0.24 0.09 0.00 0.00 178.44 178.42 1xfu n SER 200 N -4.32 0.46 -0.02 -0.43 2.88 -0.87 -3.38 113.62 107.94 1xfu n SER 200 Ca 0.00 -1.03 -0.07 0.00 -1.33 0.00 0.00 58.87 56.44 1xfu n SER 200 Cb 0.23 -0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 63.54 1xfu n SER 200 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1xfu h ASP 201 N 3.54 -0.06 0.00 -3.46 3.58 -1.82 -3.46 116.42 114.74 1xfu h ASP 201 Ca 0.00 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1xfu h ASP 201 Cb 0.09 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1xfu h ASP 201 CO 0.00 0.62 0.00 -0.90 -2.88 0.00 0.00 179.24 176.08 1xfu n ASP 202 N -4.77 0.00 -0.04 2.28 5.68 -1.22 -4.43 116.55 114.06 1xfu n ASP 202 Ca -0.05 -0.92 -0.22 0.00 -0.50 0.00 0.00 54.79 53.10 1xfu n ASP 202 Cb 0.23 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.08 1xfu n ASP 202 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1xfu h SER 203 N 0.00 0.25 0.00 -1.12 4.64 -1.89 -3.46 113.55 111.97 1xfu h SER 203 Ca 0.00 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 1xfu h SER 203 Cb 0.75 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1xfu h SER 203 CO 0.00 1.65 0.00 0.47 -0.87 0.00 0.00 176.83 178.08 1xfu n ASP 204 N -3.97 0.00 -4.84 4.97 8.00 -1.26 -4.94 116.55 114.51 1xfu n ASP 204 Ca -0.30 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.88 1xfu n ASP 204 Cb 0.87 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.95 1xfu n ASP 204 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xfu s SER 205 N -1.55 6.32 0.00 -2.24 0.15 -1.26 -4.90 113.70 110.21 1xfu s SER 205 Ca 0.00 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.26 1xfu s SER 205 Cb 0.00 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1xfu s SER 205 CO 0.00 -0.80 0.18 -1.20 1.20 0.00 0.00 173.24 172.62 1xfu n SER 206 N -1.91 0.44 -4.19 5.45 7.64 -1.26 -4.37 113.62 115.42 1xfu n SER 206 Ca 0.07 -0.55 -0.39 0.00 1.01 0.00 0.00 58.87 59.00 1xfu n SER 206 Cb 0.54 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 1xfu n SER 206 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xfu s ASP 207 N -0.22 6.35 -0.45 6.43 1.01 -1.26 -4.86 116.67 123.67 1xfu s ASP 207 Ca 0.00 -3.52 -0.02 0.00 0.71 0.00 0.00 52.55 49.72 1xfu s ASP 207 Cb 0.00 -2.01 0.23 0.00 1.01 0.00 0.00 42.92 42.15 1xfu s ASP 207 CO 0.00 -0.26 2.21 0.18 0.21 0.00 0.00 175.17 177.51 1xfu n LEU 208 N 2.67 6.77 -4.14 1.23 4.32 -1.26 -4.77 117.00 121.82 1xfu n LEU 208 Ca 0.20 -3.77 -0.38 0.00 -0.02 0.00 0.00 56.01 52.04 1xfu n LEU 208 Cb 0.38 -1.09 -0.09 0.00 -1.62 0.00 0.00 43.42 41.01 1xfu n LEU 208 CO 0.39 1.43 0.07 -0.22 -1.22 0.00 0.00 177.39 177.83 1xfu s LEU 209 N -2.42 5.50 0.00 2.23 2.96 -1.26 -4.78 118.68 120.90 1xfu s LEU 209 Ca 0.46 -2.65 0.17 0.00 -0.22 0.00 0.00 54.13 51.88 1xfu s LEU 209 Cb 0.34 -1.92 0.27 0.00 0.50 0.00 0.00 46.19 45.39 1xfu s LEU 209 CO -0.08 -0.45 1.10 2.22 -1.32 0.00 0.00 176.35 177.82 1xfu n PHE 210 N 3.81 0.00 0.69 5.38 1.16 -1.26 -4.35 117.46 122.89 1xfu n PHE 210 Ca 0.06 -0.34 0.00 0.00 -1.87 0.00 0.00 57.45 55.30 1xfu n PHE 210 Cb 0.40 -0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.19 1xfu n PHE 210 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1xfu n SER 211 N 0.32 2.02 -0.06 5.98 2.88 -1.26 -2.09 113.62 121.41 1xfu n SER 211 Ca 0.03 -1.37 -0.10 0.00 -1.33 0.00 0.00 58.87 56.10 1xfu n SER 211 Cb 0.98 -0.34 -0.05 0.00 -0.75 0.00 0.00 64.21 64.04 1xfu n SER 211 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xfu n GLN 212 N 0.64 0.30 0.00 -1.46 10.64 -1.26 -4.81 117.38 121.43 1xfu n GLN 212 Ca 0.00 0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 1xfu n GLN 212 Cb 0.34 -1.19 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 1xfu n GLN 212 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1xfu n LYS 213 N -2.99 -0.77 -2.58 2.61 2.85 -0.89 -4.71 118.16 111.69 1xfu n LYS 213 Ca -0.22 -0.50 -0.22 0.00 -1.05 0.00 0.00 58.31 56.32 1xfu n LYS 213 Cb 0.72 -0.99 0.01 0.00 -0.65 0.00 0.00 35.03 34.12 1xfu n LYS 213 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1xfu n PHE 214 N -0.02 2.74 -0.05 5.58 0.99 -0.97 -4.81 117.46 120.92 1xfu n PHE 214 Ca 0.00 -3.10 -0.01 0.00 -0.00 0.00 0.00 57.45 54.34 1xfu n PHE 214 Cb 0.00 -0.20 -0.00 0.00 -1.00 0.00 0.00 39.48 38.28 1xfu n PHE 214 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1xfu h LYS 215 N 2.73 0.00 0.00 -1.08 1.63 -1.81 -3.28 116.57 114.76 1xfu h LYS 215 Ca 0.17 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1xfu h LYS 215 Cb 0.97 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 1xfu h LYS 215 CO 0.74 0.00 -0.82 -0.85 -3.45 0.00 0.00 179.45 175.07 1xfu n GLU 216 N -4.72 0.49 0.23 1.90 0.28 -1.26 -4.00 120.64 113.56 1xfu n GLU 216 Ca -0.01 0.41 0.16 0.00 -0.16 0.00 0.00 57.16 57.56 1xfu n GLU 216 Cb 0.03 -1.60 0.74 0.00 1.43 0.00 0.00 31.44 32.04 1xfu n GLU 216 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1xfu h LYS 217 N -1.00 0.00 -1.38 3.44 1.79 -1.89 -3.33 116.57 114.20 1xfu h LYS 217 Ca -0.06 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.00 1xfu h LYS 217 Cb 0.78 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.11 1xfu h LYS 217 CO -0.03 0.00 -0.95 -0.11 -1.08 0.00 0.00 179.45 177.27 1xfu n LEU 218 N -2.69 -0.31 -1.23 2.94 7.94 -1.26 -4.74 117.00 117.65 1xfu n LEU 218 Ca -0.00 -4.52 0.09 0.00 -1.11 0.00 0.00 56.01 50.47 1xfu n LEU 218 Cb 0.18 0.77 0.29 0.00 0.53 0.00 0.00 43.42 45.18 1xfu n LEU 218 CO 0.20 2.18 0.75 -1.84 -1.11 0.00 0.00 177.39 177.57 1xfu n GLU 219 N 0.59 3.13 -2.02 1.96 0.28 -1.24 -4.54 120.64 118.80 1xfu n GLU 219 Ca 0.19 -2.61 -0.42 0.00 -0.16 0.00 0.00 57.16 54.15 1xfu n GLU 219 Cb 0.65 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.89 1xfu n GLU 219 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1xfu n LEU 220 N 1.05 6.88 0.20 -1.84 7.94 -1.26 -4.64 117.00 125.32 1xfu n LEU 220 Ca 0.22 -4.43 0.08 0.00 -1.11 0.00 0.00 56.01 50.77 1xfu n LEU 220 Cb 0.69 -1.55 0.28 0.00 0.53 0.00 0.00 43.42 43.37 1xfu n LEU 220 CO 0.17 1.31 0.70 0.78 -1.11 0.00 0.00 177.39 179.24 1xfu h ASN 221 N 5.78 0.00 -1.34 1.96 2.35 -1.99 -3.32 115.58 119.02 1xfu h ASN 221 Ca 0.50 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.58 1xfu h ASN 221 Cb 0.61 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.80 1xfu h ASN 221 CO 1.74 0.29 1.36 0.59 -1.65 0.00 0.00 177.43 179.76 1xfu n ASN 222 N -3.30 7.33 -2.88 5.81 3.02 -1.26 -4.59 115.26 119.39 1xfu n ASN 222 Ca 0.01 -3.30 0.03 0.00 -0.03 0.00 0.00 54.58 51.29 1xfu n ASN 222 Cb 0.54 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 1xfu n ASN 222 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xfu s LYS 223 N -2.05 0.18 0.09 3.52 2.36 -1.25 -5.14 119.74 117.45 1xfu s LYS 223 Ca 0.54 -0.01 -0.29 0.00 -2.55 0.00 0.00 55.97 53.65 1xfu s LYS 223 Cb 0.28 0.03 -0.16 0.00 -1.05 0.00 0.00 37.83 36.94 1xfu s LYS 223 CO -0.18 -0.28 0.68 0.43 1.55 0.00 0.00 175.35 177.55 1xfu n SER 224 N 4.07 -0.58 -4.15 1.43 7.64 -1.26 -4.90 113.62 115.87 1xfu n SER 224 Ca 0.07 0.99 -0.38 0.00 1.01 0.00 0.00 58.87 60.56 1xfu n SER 224 Cb 0.62 -0.81 -0.05 0.00 -1.01 0.00 0.00 64.21 62.95 1xfu n SER 224 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1xfu s ILE 225 N -0.46 4.68 0.00 0.44 1.01 -1.26 -4.79 121.20 120.82 1xfu s ILE 225 Ca 0.67 -3.77 0.00 0.00 0.00 0.00 0.00 60.65 57.55 1xfu s ILE 225 Cb -0.95 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 37.65 1xfu s ILE 225 CO 0.49 -1.10 0.00 -0.67 0.00 0.00 0.00 174.94 173.66 1xfu n ASP 226 N 2.42 0.00 0.00 3.58 4.64 -1.26 -4.05 116.55 121.88 1xfu n ASP 226 Ca 0.22 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.63 1xfu n ASP 226 Cb 0.37 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.45 1xfu n ASP 226 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1xfu n ILE 227 N -0.68 0.00 -0.35 5.18 5.41 -1.26 -4.52 119.36 123.14 1xfu n ILE 227 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1xfu n ILE 227 Cb 0.00 -0.54 0.04 0.00 -0.71 0.00 0.00 39.64 38.43 1xfu n ILE 227 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1xfu n ASN 228 N -1.44 -0.59 0.00 4.38 4.13 -1.26 -3.71 115.26 116.78 1xfu n ASN 228 Ca 0.00 1.58 0.00 0.00 1.68 0.00 0.00 54.58 57.84 1xfu n ASN 228 Cb 0.29 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 1xfu n ASN 228 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1xfu n PHE 229 N -5.33 0.00 0.23 3.10 1.16 -1.26 -4.82 117.46 110.53 1xfu n PHE 229 Ca 0.09 -0.02 0.07 0.00 -1.87 0.00 0.00 57.45 55.72 1xfu n PHE 229 Cb 0.36 -0.00 0.61 0.00 -1.61 0.00 0.00 39.48 38.84 1xfu n PHE 229 CO 0.00 0.00 0.00 0.97 -1.87 0.00 0.00 176.76 175.86 1xfu h ILE 230 N 0.49 1.02 0.57 1.97 2.10 -1.79 -2.56 117.51 119.31 1xfu h ILE 230 Ca 0.00 -0.06 -0.02 0.00 1.08 0.00 0.00 64.86 65.86 1xfu h ILE 230 Cb 0.25 0.96 -0.02 0.00 -1.09 0.00 0.00 36.82 36.93 1xfu h ILE 230 CO 0.00 0.02 -0.50 0.11 -1.08 0.00 0.00 178.15 176.70 1xfu h LYS 231 N 0.06 -1.01 0.00 2.19 1.57 -1.88 -3.28 116.57 114.22 1xfu h LYS 231 Ca 0.02 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1xfu h LYS 231 Cb 0.01 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1xfu h LYS 231 CO -0.00 -0.67 0.00 -1.91 -0.57 0.00 0.00 179.45 176.29 1xfu n GLU 232 N -5.52 0.00 -2.89 3.15 4.07 -0.97 -1.69 120.64 116.80 1xfu n GLU 232 Ca -0.13 0.03 -0.35 0.00 -0.06 0.00 0.00 57.16 56.65 1xfu n GLU 232 Cb 0.47 -0.04 -0.01 0.00 -0.06 0.00 0.00 31.44 31.80 1xfu n GLU 232 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1xfu n ASN 233 N -1.83 5.83 -0.24 4.31 3.02 -1.24 -4.80 115.26 120.30 1xfu n ASN 233 Ca 0.00 -3.62 0.15 0.00 -0.03 0.00 0.00 54.58 51.08 1xfu n ASN 233 Cb 0.00 -0.92 0.44 0.00 -0.61 0.00 0.00 39.78 38.69 1xfu n ASN 233 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1xfu h LEU 234 N 3.98 0.54 -1.49 3.41 -0.00 -1.40 0.82 115.31 121.17 1xfu h LEU 234 Ca 0.31 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 58.18 1xfu h LEU 234 Cb 0.47 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 1xfu h LEU 234 CO 1.04 0.25 -0.17 0.71 -0.00 0.00 0.00 178.44 180.27 1xfu h THR 235 N 0.56 1.17 -0.32 0.15 1.35 -1.87 -2.56 112.91 111.39 1xfu h THR 235 Ca 0.44 -0.76 -0.15 0.00 -0.55 0.00 0.00 66.41 65.40 1xfu h THR 235 Cb 0.88 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1xfu h THR 235 CO -0.19 0.23 -0.39 -0.08 -0.25 0.00 0.00 175.52 174.84 1xfu h GLU 236 N 0.11 0.76 -0.13 4.72 4.81 -1.23 -1.33 114.58 122.28 1xfu h GLU 236 Ca 0.02 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1xfu h GLU 236 Cb 0.38 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1xfu h GLU 236 CO 0.02 1.01 0.00 1.19 -0.73 0.00 0.00 179.01 180.51 1xfu n PHE 237 N -4.04 0.00 -0.12 0.92 3.72 -0.98 -2.22 117.46 114.74 1xfu n PHE 237 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 1xfu n PHE 237 Cb 0.53 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.98 1xfu n PHE 237 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xfu n GLN 238 N -0.43 0.54 0.00 -1.08 6.02 -0.57 -3.39 117.38 118.47 1xfu n GLN 238 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1xfu n GLN 238 Cb 0.03 -1.42 0.01 0.00 1.02 0.00 0.00 30.24 29.88 1xfu n GLN 238 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1xfu n HIS 239 N -4.27 0.01 -0.12 1.08 8.25 -0.77 -0.58 115.22 118.82 1xfu n HIS 239 Ca -0.38 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 56.86 1xfu n HIS 239 Cb 0.74 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 1xfu n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xfu n ALA 240 N -1.24 1.07 0.26 -1.41 0.00 -1.16 -3.64 120.51 114.39 1xfu n ALA 240 Ca -0.00 -0.99 0.17 0.00 0.00 0.00 0.00 53.44 52.62 1xfu n ALA 240 Cb 0.27 0.09 0.92 0.00 0.00 0.00 0.00 19.45 20.73 1xfu n ALA 240 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xfu h PHE 241 N -1.00 0.00 0.00 0.00 3.57 -0.85 0.16 116.94 118.82 1xfu h PHE 241 Ca -0.43 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1xfu h PHE 241 Cb 1.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1xfu h PHE 241 CO -0.22 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.29 1xfu n SER 242 N -2.70 0.00 0.23 0.41 7.64 0.03 -1.79 113.62 117.45 1xfu n SER 242 Ca -0.02 0.40 0.13 0.00 1.01 0.00 0.00 58.87 60.39 1xfu n SER 242 Cb 0.07 -0.24 0.72 0.00 -1.01 0.00 0.00 64.21 63.75 1xfu n SER 242 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xfu h LEU 243 N 0.00 0.00 -0.02 -3.43 3.38 -1.59 0.55 115.31 114.20 1xfu h LEU 243 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xfu h LEU 243 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xfu h LEU 243 CO 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.31 1xfu h ALA 244 N 1.69 0.05 -0.02 1.53 0.00 -0.77 -1.60 119.26 120.15 1xfu h ALA 244 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xfu h ALA 244 Cb 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xfu h ALA 244 CO 0.00 0.06 0.00 0.35 0.00 0.00 0.00 179.25 179.67 1xfu h PHE 245 N -0.44 0.03 -0.66 0.00 3.04 0.54 -1.49 116.94 117.95 1xfu h PHE 245 Ca -0.02 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.03 1xfu h PHE 245 Cb 0.93 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.39 1xfu h PHE 245 CO 0.16 0.27 0.44 0.66 -2.02 0.00 0.00 178.31 177.82 1xfu h SER 246 N -0.22 0.41 1.00 0.41 4.64 -0.21 -1.02 113.55 118.56 1xfu h SER 246 Ca 0.00 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.14 1xfu h SER 246 Cb 0.25 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1xfu h SER 246 CO 0.00 0.24 -1.04 1.88 -0.87 0.00 0.00 176.83 177.04 1xfu h TYR 247 N 0.45 0.00 0.00 4.77 -1.99 -1.10 0.29 116.97 119.39 1xfu h TYR 247 Ca 0.31 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.95 1xfu h TYR 247 Cb 0.61 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.32 1xfu h TYR 247 CO -0.00 0.87 -0.44 -0.92 -0.00 0.00 0.00 178.16 177.67 1xfu h TYR 248 N 0.00 0.00 0.00 4.88 3.20 -0.17 -3.29 116.97 121.58 1xfu h TYR 248 Ca -0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1xfu h TYR 248 Cb 1.72 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1xfu h TYR 248 CO 0.00 0.44 -0.77 1.19 -1.64 0.00 0.00 178.16 177.38 1xfu n PHE 249 N -3.22 0.00 -1.45 -3.82 3.01 -0.50 -4.86 117.46 106.62 1xfu n PHE 249 Ca 0.02 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.10 1xfu n PHE 249 Cb 0.70 -0.07 0.03 0.00 -0.01 0.00 0.00 39.48 40.13 1xfu n PHE 249 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xfu n ALA 250 N -1.42 -1.33 0.78 4.37 0.00 0.10 -4.81 120.51 118.19 1xfu n ALA 250 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1xfu n ALA 250 Cb 0.14 -1.79 0.46 0.00 0.00 0.00 0.00 19.45 18.26 1xfu n ALA 250 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xfu n PRO 251 N 0.12 0.08 0.01 0.00 -0.04 -1.26 -4.36 135.00 129.54 1xfu n PRO 251 Ca 0.11 0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1xfu n PRO 251 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1xfu n PRO 251 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xfu n ASP 252 N -1.44 0.92 -4.42 3.54 5.75 -1.26 -4.96 116.55 114.68 1xfu n ASP 252 Ca 0.06 0.13 -0.44 0.00 -0.01 0.00 0.00 54.79 54.53 1xfu n ASP 252 Cb 0.22 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 39.92 1xfu n ASP 252 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1xfu s HIS 253 N -1.86 2.97 -0.16 2.11 -3.43 -1.26 -4.75 115.29 108.91 1xfu s HIS 253 Ca -0.06 -1.02 0.02 0.00 -0.80 0.00 0.00 55.06 53.20 1xfu s HIS 253 Cb 0.01 -4.17 -0.11 0.00 -1.43 0.00 0.00 32.58 26.87 1xfu s HIS 253 CO 0.08 -1.45 -0.13 2.89 -2.00 0.00 0.00 174.74 174.13 1xfu n ARG 254 N 6.70 0.50 0.14 -0.38 0.00 -1.24 -4.40 116.66 117.99 1xfu n ARG 254 Ca 0.04 0.09 0.12 0.00 -0.00 0.00 0.00 57.85 58.09 1xfu n ARG 254 Cb 0.46 -1.33 0.15 0.00 -0.00 0.00 0.00 32.46 31.74 1xfu n ARG 254 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1xfu h THR 255 N 0.00 0.00 0.00 8.89 1.35 -1.85 -3.17 112.91 118.13 1xfu h THR 255 Ca -0.37 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1xfu h THR 255 Cb 1.59 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 1xfu h THR 255 CO -0.05 0.00 0.00 0.58 -0.25 0.00 0.00 175.52 175.80 1xfu h VAL 256 N 0.00 0.00 -0.37 6.82 2.07 -1.90 1.05 116.25 123.93 1xfu h VAL 256 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xfu h VAL 256 Cb 0.92 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1xfu h VAL 256 CO 0.00 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.48 1xfu n LEU 257 N -2.41 3.57 0.00 2.57 7.94 -1.20 -3.10 117.00 124.37 1xfu n LEU 257 Ca -0.01 -2.43 0.00 0.00 -1.11 0.00 0.00 56.01 52.46 1xfu n LEU 257 Cb 0.07 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.62 1xfu n LEU 257 CO 0.13 0.73 0.10 1.21 -1.11 0.00 0.00 177.39 178.45 1xfu n GLU 258 N 0.25 2.94 0.01 1.96 2.13 0.34 -3.53 120.64 124.74 1xfu n GLU 258 Ca 0.17 -0.20 -0.01 0.00 0.66 0.00 0.00 57.16 57.79 1xfu n GLU 258 Cb 0.67 -0.67 -0.00 0.00 0.27 0.00 0.00 31.44 31.70 1xfu n GLU 258 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1xfu n LEU 259 N -0.48 0.37 0.23 4.31 7.94 0.14 -4.73 117.00 124.79 1xfu n LEU 259 Ca 0.00 0.05 0.16 0.00 -1.11 0.00 0.00 56.01 55.11 1xfu n LEU 259 Cb 0.01 -0.20 0.82 0.00 0.53 0.00 0.00 43.42 44.58 1xfu n LEU 259 CO 0.00 -0.55 0.98 1.88 -1.11 0.00 0.00 177.39 178.59 1xfu h TYR 260 N -0.06 0.00 -3.20 1.96 -1.99 -1.77 -3.36 116.97 108.55 1xfu h TYR 260 Ca 0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 1xfu h TYR 260 Cb 0.06 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 38.39 1xfu h TYR 260 CO -0.03 0.00 -0.76 0.00 -0.00 0.00 0.00 178.16 177.38 1xfu s ALA 261 N -3.75 0.68 0.05 3.88 0.00 -1.26 -4.40 121.76 116.96 1xfu s ALA 261 Ca -0.02 -0.38 0.20 0.00 0.00 0.00 0.00 51.96 51.76 1xfu s ALA 261 Cb 0.09 -1.00 0.62 0.00 0.00 0.00 0.00 23.12 22.83 1xfu s ALA 261 CO 0.33 -0.98 1.70 -1.00 0.00 0.00 0.00 175.76 175.81 1xfu h PRO 262 N 8.34 0.00 0.00 0.00 0.13 -1.85 -3.35 132.00 135.26 1xfu h PRO 262 Ca -0.16 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.79 1xfu h PRO 262 Cb 1.13 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1xfu h PRO 262 CO 0.29 0.33 -1.61 -3.47 -0.23 0.00 0.00 178.00 173.31 1xfu n ASP 263 N -3.38 1.60 -0.09 1.44 -0.08 -1.26 -4.61 116.55 110.18 1xfu n ASP 263 Ca 0.01 0.07 0.26 0.00 -1.51 0.00 0.00 54.79 53.62 1xfu n ASP 263 Cb 0.53 -0.27 0.64 0.00 2.34 0.00 0.00 41.12 44.37 1xfu n ASP 263 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1xfu h MET 264 N -0.26 0.00 0.20 -0.67 2.86 -1.88 1.41 114.93 116.60 1xfu h MET 264 Ca -0.26 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1xfu h MET 264 Cb 1.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1xfu h MET 264 CO -0.12 0.00 -0.10 0.35 1.06 0.00 0.00 176.91 178.10 1xfu h PHE 265 N 0.00 -0.25 -0.60 -0.22 3.57 -1.73 -0.54 116.94 117.16 1xfu h PHE 265 Ca 0.36 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.89 1xfu h PHE 265 Cb 1.95 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.74 1xfu h PHE 265 CO 0.00 -0.07 0.40 1.49 -2.23 0.00 0.00 178.31 177.90 1xfu h GLU 266 N -0.38 0.68 0.52 1.11 4.57 0.16 0.28 114.58 121.52 1xfu h GLU 266 Ca -0.03 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1xfu h GLU 266 Cb 0.29 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1xfu h GLU 266 CO 0.05 0.45 -0.25 -0.92 -1.18 0.00 0.00 179.01 177.15 1xfu h TYR 267 N 0.70 -0.65 -0.50 0.92 3.20 -0.47 0.76 116.97 120.93 1xfu h TYR 267 Ca 0.24 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.14 1xfu h TYR 267 Cb 0.10 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1xfu h TYR 267 CO -0.00 -0.35 0.26 0.52 -1.64 0.00 0.00 178.16 176.95 1xfu h MET 268 N -0.86 0.49 0.22 1.82 2.86 -0.74 0.17 114.93 118.89 1xfu h MET 268 Ca -0.07 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1xfu h MET 268 Cb 0.60 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1xfu h MET 268 CO 0.12 0.32 -0.16 -0.97 1.06 0.00 0.00 176.91 177.28 1xfu h ASN 269 N 0.51 -0.41 -1.00 1.22 -0.73 -0.27 0.85 115.58 115.75 1xfu h ASN 269 Ca 0.22 0.03 0.14 0.00 1.87 0.00 0.00 56.30 58.56 1xfu h ASN 269 Cb 0.12 0.13 -0.09 0.00 0.27 0.00 0.00 38.32 38.75 1xfu h ASN 269 CO -0.15 -0.25 0.63 0.50 -0.37 0.00 0.00 177.43 177.79 1xfu h LYS 270 N -0.38 0.91 0.07 6.67 1.63 0.98 1.60 116.57 128.06 1xfu h LYS 270 Ca -0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1xfu h LYS 270 Cb 0.33 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1xfu h LYS 270 CO -0.00 0.60 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.50 1xfu h LEU 271 N 0.94 -0.08 -1.18 5.20 3.38 0.11 -1.19 115.31 122.49 1xfu h LEU 271 Ca 0.52 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.41 1xfu h LEU 271 Cb 0.59 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1xfu h LEU 271 CO -0.29 -0.03 -0.03 -0.08 0.09 0.00 0.00 178.44 178.10 1xfu h GLU 272 N -0.13 0.54 -0.87 1.13 4.81 0.26 0.69 114.58 121.00 1xfu h GLU 272 Ca -0.01 -0.12 0.21 0.00 -0.13 0.00 0.00 59.36 59.31 1xfu h GLU 272 Cb 0.10 -0.07 -0.16 0.00 0.63 0.00 0.00 28.75 29.25 1xfu h GLU 272 CO 0.02 0.58 -0.01 0.87 -0.73 0.00 0.00 179.01 179.74 1xfu h LYS 273 N 0.51 0.06 0.00 1.92 1.57 0.35 -3.41 116.57 117.56 1xfu h LYS 273 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xfu h LYS 273 Cb 0.37 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1xfu h LYS 273 CO 0.01 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.34 1xfu n GLY 274 N -1.47 0.00 0.29 3.86 0.00 -0.93 -5.01 105.19 101.93 1xfu n GLY 274 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 1xfu n GLY 274 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xfu h GLY 275 N 0.00 0.00 1.51 -0.02 0.00 0.64 -0.93 103.07 104.26 1xfu h GLY 275 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1xfu h GLY 275 CO 0.00 0.00 -0.81 0.74 0.00 0.00 0.00 176.54 176.47 1xfu h PHE 276 N 0.00 0.00 0.00 5.60 0.05 -1.38 -2.93 116.94 118.28 1xfu h PHE 276 Ca -0.00 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 1xfu h PHE 276 Cb 0.21 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.16 1xfu h PHE 276 CO 0.00 0.37 -0.10 1.49 -0.18 0.00 0.00 178.31 179.89 1xfu h GLU 277 N 0.00 0.00 0.00 1.51 4.81 -1.45 -3.05 114.58 116.40 1xfu h GLU 277 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1xfu h GLU 277 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1xfu h GLU 277 CO 0.04 0.10 0.00 1.63 -0.73 0.00 0.00 179.01 180.05 1xfu n LYS 278 N -3.15 0.00 0.22 1.92 5.02 -0.76 -2.77 118.16 118.64 1xfu n LYS 278 Ca 0.02 0.02 0.15 0.00 -2.02 0.00 0.00 58.31 56.48 1xfu n LYS 278 Cb 0.50 -0.58 0.63 0.00 -0.02 0.00 0.00 35.03 35.56 1xfu n LYS 278 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xfu h ILE 279 N 0.00 0.10 0.00 -0.18 1.08 -1.72 1.27 117.51 118.06 1xfu h ILE 279 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1xfu h ILE 279 Cb 0.00 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1xfu h ILE 279 CO 0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.22 1xfu n SER 280 N -3.07 0.00 0.00 1.72 2.88 -1.15 -2.08 113.62 111.91 1xfu n SER 280 Ca 0.03 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.30 1xfu n SER 280 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1xfu n SER 280 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xfu n GLU 281 N -0.73 2.00 0.00 -1.46 -0.58 0.43 -4.04 120.64 116.27 1xfu n GLU 281 Ca 0.09 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.99 1xfu n GLU 281 Cb 0.04 -0.74 0.88 0.00 -0.57 0.00 0.00 31.44 31.05 1xfu n GLU 281 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xfu n SER 282 N -1.16 0.09 -0.06 1.62 3.41 -0.84 -1.57 113.62 115.12 1xfu n SER 282 Ca 0.00 -0.82 -0.09 0.00 -0.26 0.00 0.00 58.87 57.70 1xfu n SER 282 Cb 0.21 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 1xfu n SER 282 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xfu n LEU 283 N -1.01 2.71 -0.30 1.04 4.32 -0.89 -3.80 117.00 119.08 1xfu n LEU 283 Ca 0.21 -0.03 -0.03 0.00 -0.02 0.00 0.00 56.01 56.14 1xfu n LEU 283 Cb 0.16 -0.39 0.08 0.00 -1.62 0.00 0.00 43.42 41.65 1xfu n LEU 283 CO 0.19 0.63 1.22 0.50 -1.22 0.00 0.00 177.39 178.71 1xfu h LYS 284 N -0.06 1.07 -0.13 3.23 1.63 -1.68 0.98 116.57 121.61 1xfu h LYS 284 Ca -0.26 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.44 1xfu h LYS 284 Cb 1.38 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.76 1xfu h LYS 284 CO -0.06 0.71 -0.04 1.57 -3.45 0.00 0.00 179.45 178.18 1xfu h LYS 285 N 1.10 0.26 0.00 1.90 2.10 -1.52 -0.10 116.57 120.30 1xfu h LYS 285 Ca 0.31 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 1xfu h LYS 285 Cb -0.10 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.22 1xfu h LYS 285 CO -0.08 0.57 0.00 -1.91 -2.00 0.00 0.00 179.45 176.03 1xfu n GLU 286 N -4.71 0.82 0.11 0.07 2.13 -0.88 -1.95 120.64 116.23 1xfu n GLU 286 Ca -0.06 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.55 1xfu n GLU 286 Cb 0.26 -1.08 -0.13 0.00 0.27 0.00 0.00 31.44 30.76 1xfu n GLU 286 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1xfu h GLY 287 N 4.79 0.58 0.00 8.31 0.00 0.30 -2.95 103.07 114.10 1xfu h GLY 287 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 47.33 46.03 1xfu h GLY 287 CO 0.00 1.14 -0.21 -0.39 0.00 0.00 0.00 176.54 177.08 1xfu h VAL 288 N 0.20 0.00 -0.29 4.60 -1.51 -1.29 -3.37 116.25 114.59 1xfu h VAL 288 Ca -0.19 -0.44 0.08 0.00 -1.23 0.00 0.00 66.70 64.93 1xfu h VAL 288 Cb 1.96 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1xfu h VAL 288 CO 0.23 0.00 0.93 -0.33 -1.23 0.00 0.00 177.57 177.18 1xfu h GLU 289 N -0.44 0.00 0.00 5.19 5.08 -1.60 -3.05 114.58 119.76 1xfu h GLU 289 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xfu h GLU 289 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xfu h GLU 289 CO 0.00 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.18 1xfu n LYS 290 N -2.81 0.00 -1.91 2.33 4.81 -1.11 -4.58 118.16 114.89 1xfu n LYS 290 Ca 0.06 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.10 1xfu n LYS 290 Cb 1.03 -0.05 -0.03 0.00 0.02 0.00 0.00 35.03 36.00 1xfu n LYS 290 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xfu s ASP 291 N -1.16 5.40 0.00 3.14 3.68 -1.15 -4.82 116.67 121.77 1xfu s ASP 291 Ca 0.00 0.99 0.00 0.00 2.13 0.00 0.00 52.55 55.67 1xfu s ASP 291 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1xfu s ASP 291 CO 0.00 -2.15 0.00 0.54 0.13 0.00 0.00 175.17 173.69 1xfu n ARG 292 N 8.81 0.00 -3.77 4.34 5.12 -1.25 -4.73 116.66 125.17 1xfu n ARG 292 Ca 0.25 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.80 1xfu n ARG 292 Cb 0.50 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.68 1xfu n ARG 292 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1xfu s ILE 293 N -1.51 3.47 -0.14 0.55 -4.36 -1.26 -5.06 121.20 112.89 1xfu s ILE 293 Ca 0.00 -1.62 -0.41 0.00 -0.26 0.00 0.00 60.65 58.36 1xfu s ILE 293 Cb 0.00 -3.17 -0.19 0.00 1.25 0.00 0.00 42.46 40.36 1xfu s ILE 293 CO 0.00 -0.43 1.35 -0.67 0.24 0.00 0.00 174.94 175.43 1xfu n ASP 294 N 4.70 0.96 0.00 4.36 4.64 -1.26 -4.84 116.55 125.11 1xfu n ASP 294 Ca -0.08 1.15 0.00 0.00 -1.38 0.00 0.00 54.79 54.48 1xfu n ASP 294 Cb 0.43 -1.00 0.00 0.00 -1.04 0.00 0.00 41.12 39.51 1xfu n ASP 294 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1xfu n VAL 295 N 2.75 0.00 -2.51 5.18 0.24 -1.26 -4.71 118.33 118.02 1xfu n VAL 295 Ca 0.23 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.32 1xfu n VAL 295 Cb 0.08 0.71 0.02 0.00 -1.47 0.00 0.00 33.84 33.17 1xfu n VAL 295 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xfu n LEU 296 N 0.00 -1.33 0.00 1.34 -0.00 -1.26 -2.78 117.00 112.96 1xfu n LEU 296 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1xfu n LEU 296 Cb 0.42 -0.89 0.00 0.00 -0.00 0.00 0.00 43.42 42.95 1xfu n LEU 296 CO 0.00 0.03 0.00 0.29 -0.00 0.00 0.00 177.39 177.71 1xfu n LYS 297 N -0.29 0.20 -1.45 1.47 5.02 -1.26 -3.75 118.16 118.10 1xfu n LYS 297 Ca -0.07 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.42 1xfu n LYS 297 Cb 0.39 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.34 1xfu n LYS 297 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfu n GLY 298 N 4.88 -2.18 0.00 0.72 0.00 -0.98 -3.39 105.19 104.24 1xfu n GLY 298 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1xfu n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xfu n GLU 299 N -4.27 0.00 0.20 1.61 2.13 -1.26 0.13 120.64 119.18 1xfu n GLU 299 Ca -0.01 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.90 1xfu n GLU 299 Cb 0.67 -1.49 0.18 0.00 0.27 0.00 0.00 31.44 31.07 1xfu n GLU 299 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xfu h LYS 300 N 0.00 0.00 0.00 5.31 1.57 -1.85 -3.28 116.57 118.32 1xfu h LYS 300 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1xfu h LYS 300 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1xfu h LYS 300 CO 0.00 0.17 -1.71 0.00 -0.57 0.00 0.00 179.45 177.34 1xfu n ALA 301 N -2.14 0.96 0.00 3.86 0.00 0.35 -4.17 120.51 119.36 1xfu n ALA 301 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1xfu n ALA 301 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1xfu n ALA 301 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xfu n LEU 302 N -4.38 0.00 -0.01 0.00 7.94 -1.17 0.17 117.00 119.55 1xfu n LEU 302 Ca -0.35 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.56 1xfu n LEU 302 Cb 0.69 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.52 1xfu n LEU 302 CO 0.11 0.00 -0.66 0.29 -1.11 0.00 0.00 177.39 176.03 1xfu n LYS 303 N -0.65 0.65 -0.00 1.96 4.76 -1.24 -4.09 118.16 119.56 1xfu n LYS 303 Ca 0.00 0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.56 1xfu n LYS 303 Cb 0.00 -1.64 -0.13 0.00 -1.84 0.00 0.00 35.03 31.42 1xfu n LYS 303 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xfu n ALA 304 N -2.44 3.86 -0.02 7.82 0.00 0.46 -4.28 120.51 125.91 1xfu n ALA 304 Ca -0.14 -0.52 0.16 0.00 0.00 0.00 0.00 53.44 52.94 1xfu n ALA 304 Cb 0.83 -0.70 0.60 0.00 0.00 0.00 0.00 19.45 20.19 1xfu n ALA 304 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xfu h SER 305 N 0.00 0.16 0.00 0.00 0.87 -1.52 -3.44 113.55 109.62 1xfu h SER 305 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1xfu h SER 305 Cb 0.63 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1xfu h SER 305 CO 0.00 0.09 0.00 0.61 -0.53 0.00 0.00 176.83 177.00 1xfu n GLY 306 N -1.58 1.41 3.15 5.77 0.00 -1.26 -2.94 105.19 109.74 1xfu n GLY 306 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1xfu n GLY 306 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xfu n LEU 307 N 0.00 -3.69 -4.56 0.99 4.32 -1.26 -4.49 117.00 108.30 1xfu n LEU 307 Ca 0.00 0.20 -0.39 0.00 -0.02 0.00 0.00 56.01 55.80 1xfu n LEU 307 Cb 0.00 -0.90 -0.11 0.00 -1.62 0.00 0.00 43.42 40.80 1xfu n LEU 307 CO 0.00 -4.82 -0.14 -0.69 -1.22 0.00 0.00 177.39 170.52 1xfu s VAL 308 N -2.14 5.30 0.21 4.08 1.01 -1.26 -4.95 120.40 122.64 1xfu s VAL 308 Ca 0.46 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1xfu s VAL 308 Cb -0.16 -3.62 0.29 0.00 0.00 0.00 0.00 36.38 32.89 1xfu s VAL 308 CO 0.76 0.13 1.06 -2.65 0.00 0.00 0.00 175.10 174.40 1xfu n PRO 309 N 5.09 -0.05 0.22 2.72 -0.02 -1.26 0.14 135.00 141.84 1xfu n PRO 309 Ca -0.13 1.02 0.06 0.00 -2.02 0.00 0.00 63.50 62.43 1xfu n PRO 309 Cb 0.51 -1.61 0.51 0.00 -0.02 0.00 0.00 33.50 32.89 1xfu n PRO 309 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1xfu h GLU 310 N 0.00 0.00 0.15 -0.52 5.08 -1.97 0.69 114.58 118.00 1xfu h GLU 310 Ca 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1xfu h GLU 310 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1xfu h GLU 310 CO -0.64 0.21 -0.07 0.45 -1.00 0.00 0.00 179.01 177.96 1xfu h HIS 311 N 0.00 -0.18 -0.26 4.33 3.86 0.82 -1.49 115.15 122.23 1xfu h HIS 311 Ca -0.00 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1xfu h HIS 311 Cb 0.40 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.86 1xfu h HIS 311 CO 0.00 -0.11 -0.50 0.00 0.86 0.00 0.00 177.93 178.17 1xfu h ALA 312 N -1.10 -0.79 -0.98 2.45 0.00 -1.09 0.93 119.26 118.67 1xfu h ALA 312 Ca -0.02 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.09 1xfu h ALA 312 Cb 0.15 1.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.90 1xfu h ALA 312 CO 0.03 -1.01 0.63 -0.44 0.00 0.00 0.00 179.25 178.47 1xfu h ASP 313 N -0.44 0.51 -0.54 0.00 3.32 -1.00 0.54 116.42 118.81 1xfu h ASP 313 Ca 0.05 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1xfu h ASP 313 Cb 0.57 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1xfu h ASP 313 CO -0.48 0.16 0.14 0.00 -1.72 0.00 0.00 179.24 177.34 1xfu h ALA 314 N 1.62 0.71 -0.61 3.45 0.00 0.15 -2.17 119.26 122.41 1xfu h ALA 314 Ca 0.54 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1xfu h ALA 314 Cb 1.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1xfu h ALA 314 CO -0.27 0.40 0.20 0.74 0.00 0.00 0.00 179.25 180.32 1xfu h PHE 315 N 0.76 0.93 0.00 0.00 0.05 0.53 -2.53 116.94 116.68 1xfu h PHE 315 Ca 0.17 -0.07 0.00 0.00 3.82 0.00 0.00 57.97 61.89 1xfu h PHE 315 Cb 0.32 -0.28 0.00 0.00 2.00 0.00 0.00 35.95 37.99 1xfu h PHE 315 CO 0.02 0.75 0.57 -0.22 -0.18 0.00 0.00 178.31 179.25 1xfu h LYS 316 N 0.89 0.00 0.18 1.51 3.64 0.14 0.36 116.57 123.28 1xfu h LYS 316 Ca 0.20 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.27 1xfu h LYS 316 Cb 0.25 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1xfu h LYS 316 CO -0.01 0.00 -1.53 -0.22 -2.27 0.00 0.00 179.45 175.42 1xfu h LYS 317 N 0.00 0.37 -0.49 1.90 3.64 -1.53 -3.34 116.57 117.13 1xfu h LYS 317 Ca 0.00 -0.64 -0.06 0.00 -1.27 0.00 0.00 60.65 58.68 1xfu h LYS 317 Cb 1.13 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 1xfu h LYS 317 CO 0.00 1.31 0.05 0.82 -2.27 0.00 0.00 179.45 179.36 1xfu h ILE 318 N -0.04 1.25 -0.01 2.00 5.03 -0.45 -1.96 117.51 123.34 1xfu h ILE 318 Ca -0.30 -0.97 0.03 0.00 -0.12 0.00 0.00 64.86 63.50 1xfu h ILE 318 Cb 1.98 0.93 -0.05 0.00 -3.03 0.00 0.00 36.82 36.65 1xfu h ILE 318 CO 0.16 0.34 -0.36 0.00 -0.68 0.00 0.00 178.15 177.61 1xfu h ALA 319 N 0.95 -0.55 -0.39 1.87 0.00 -1.64 -1.85 119.26 117.65 1xfu h ALA 319 Ca 0.14 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xfu h ALA 319 Cb 0.43 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1xfu h ALA 319 CO 0.01 -0.88 0.12 0.00 0.00 0.00 0.00 179.25 178.50 1xfu h ARG 320 N -0.51 0.26 -0.63 0.00 3.08 -1.38 0.54 114.38 115.75 1xfu h ARG 320 Ca 0.06 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1xfu h ARG 320 Cb 0.60 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1xfu h ARG 320 CO -0.30 0.17 0.21 1.49 -1.07 0.00 0.00 179.97 180.47 1xfu h GLU 321 N 0.27 0.97 -0.02 0.04 4.81 -1.09 -3.18 114.58 116.37 1xfu h GLU 321 Ca 0.18 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xfu h GLU 321 Cb 0.17 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1xfu h GLU 321 CO -0.20 0.85 -0.15 1.28 -0.73 0.00 0.00 179.01 180.06 1xfu n LEU 322 N -4.38 2.54 -3.39 1.64 4.77 -0.72 -5.03 117.00 112.43 1xfu n LEU 322 Ca 0.04 -0.92 -0.22 0.00 -0.03 0.00 0.00 56.01 54.88 1xfu n LEU 322 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1xfu n LEU 322 CO 0.40 0.44 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.61 1xfu n ASN 323 N 0.81 -6.18 -3.65 -1.43 4.05 0.19 -4.49 115.26 104.56 1xfu n ASN 323 Ca 0.11 -0.26 -0.05 0.00 0.45 0.00 0.00 54.58 54.84 1xfu n ASN 323 Cb 0.52 -3.02 -0.06 0.00 1.23 0.00 0.00 39.78 38.45 1xfu n ASN 323 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1xfu s THR 324 N -2.42 -0.54 0.66 -0.44 -4.23 -1.10 -1.19 115.64 106.39 1xfu s THR 324 Ca 0.18 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.54 1xfu s THR 324 Cb -0.03 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 1xfu s THR 324 CO 0.84 0.01 1.12 -1.22 -0.54 0.00 0.00 174.62 174.83 1xfu n TYR 325 N 4.96 1.30 -4.23 3.99 4.02 0.49 -4.59 117.16 123.09 1xfu n TYR 325 Ca -0.15 0.42 -0.22 0.00 -0.01 0.00 0.00 57.90 57.94 1xfu n TYR 325 Cb 0.53 -2.18 -0.17 0.00 -0.02 0.00 0.00 39.34 37.50 1xfu n TYR 325 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1xfu s ILE 326 N -1.54 0.72 -0.02 -0.72 1.01 -1.11 -0.86 121.20 118.68 1xfu s ILE 326 Ca 0.79 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.27 1xfu s ILE 326 Cb -0.38 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1xfu s ILE 326 CO 0.44 0.27 -0.14 -0.76 0.00 0.00 0.00 174.94 174.75 1xfu s LEU 327 N 0.96 1.97 0.14 2.97 1.02 -0.53 -0.76 118.68 124.46 1xfu s LEU 327 Ca -0.10 -0.27 0.09 0.00 0.02 0.00 0.00 54.13 53.87 1xfu s LEU 327 Cb -0.14 -0.75 -0.04 0.00 0.02 0.00 0.00 46.19 45.27 1xfu s LEU 327 CO 0.00 0.16 -0.20 -0.36 0.02 0.00 0.00 176.35 175.97 1xfu s PHE 328 N -0.20 1.84 0.00 0.29 0.40 0.10 0.17 117.98 120.58 1xfu s PHE 328 Ca 0.03 -0.44 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1xfu s PHE 328 Cb -0.07 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.50 1xfu s PHE 328 CO 0.00 0.28 0.00 0.54 0.70 0.00 0.00 175.22 176.75 1xfu n ARG 329 N 0.64 0.35 -3.32 0.44 1.74 -0.60 -2.34 116.66 113.57 1xfu n ARG 329 Ca -0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.54 1xfu n ARG 329 Cb 0.55 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.93 1xfu n ARG 329 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1xfu s PRO 330 N -2.02 4.32 -0.26 5.56 0.02 -1.26 -4.64 135.00 136.72 1xfu s PRO 330 Ca 0.00 0.45 -0.21 0.00 0.02 0.00 0.00 61.00 61.25 1xfu s PRO 330 Cb 0.00 -3.42 -0.01 0.00 0.02 0.00 0.00 34.50 31.09 1xfu s PRO 330 CO 0.00 0.19 0.69 0.08 -0.33 0.00 0.00 177.00 177.63 1xfu s VAL 331 N 0.50 4.93 0.22 3.83 1.01 -1.15 -5.00 120.40 124.74 1xfu s VAL 331 Ca 0.26 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 63.13 1xfu s VAL 331 Cb -0.15 -4.00 -0.14 0.00 0.00 0.00 0.00 36.38 32.09 1xfu s VAL 331 CO 0.11 -0.04 1.24 -3.20 0.00 0.00 0.00 175.10 173.21 1xfu n ASN 332 N 5.84 1.92 -0.12 3.32 5.15 -1.26 -3.98 115.26 126.13 1xfu n ASN 332 Ca 0.01 1.15 -0.07 0.00 -0.60 0.00 0.00 54.58 55.07 1xfu n ASN 332 Cb 0.49 -1.32 0.01 0.00 -0.53 0.00 0.00 39.78 38.43 1xfu n ASN 332 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1xfu h LYS 333 N 3.46 0.40 -2.07 1.20 6.56 -1.94 -2.55 116.57 121.63 1xfu h LYS 333 Ca -0.43 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.12 1xfu h LYS 333 Cb 1.31 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1xfu h LYS 333 CO 0.71 0.27 0.02 1.28 -2.06 0.00 0.00 179.45 179.66 1xfu n LEU 334 N -4.91 2.10 0.00 2.94 4.32 -1.26 -0.46 117.00 119.73 1xfu n LEU 334 Ca 0.01 -1.02 0.00 0.00 -0.02 0.00 0.00 56.01 54.98 1xfu n LEU 334 Cb 0.08 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.42 1xfu n LEU 334 CO 0.31 0.39 0.00 0.00 -1.22 0.00 0.00 177.39 176.88 1xfu n ALA 335 N 1.92 0.00 -0.36 -1.18 0.00 -0.98 -3.48 120.51 116.43 1xfu n ALA 335 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 1xfu n ALA 335 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.63 1xfu n ALA 335 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xfu h THR 336 N 0.00 0.01 0.03 0.00 2.02 -0.52 0.60 112.91 115.06 1xfu h THR 336 Ca 0.00 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.92 1xfu h THR 336 Cb 0.00 0.01 0.02 0.00 -1.74 0.00 0.00 68.15 66.45 1xfu h THR 336 CO 0.00 0.00 -1.04 0.78 0.37 0.00 0.00 175.52 175.63 1xfu h ASN 337 N -0.06 0.86 -0.54 4.18 2.35 -1.89 -2.89 115.58 117.59 1xfu h ASN 337 Ca 0.22 -0.76 0.16 0.00 -0.55 0.00 0.00 56.30 55.37 1xfu h ASN 337 Cb 0.51 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1xfu h ASN 337 CO -0.90 1.52 0.52 -0.07 -1.65 0.00 0.00 177.43 176.85 1xfu h LEU 338 N 0.31 0.00 0.09 1.61 3.38 -1.69 1.63 115.31 120.64 1xfu h LEU 338 Ca -0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xfu h LEU 338 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1xfu h LEU 338 CO 0.20 0.00 -0.04 0.40 0.09 0.00 0.00 178.44 179.09 1xfu h ILE 339 N 0.00 1.08 -0.96 1.22 2.04 -0.75 0.43 117.51 120.57 1xfu h ILE 339 Ca 0.26 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.77 1xfu h ILE 339 Cb 1.30 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 39.20 1xfu h ILE 339 CO -0.00 0.30 0.62 0.50 0.00 0.00 0.00 178.15 179.57 1xfu h LYS 340 N -0.84 1.12 -0.42 2.37 3.64 0.24 0.12 116.57 122.81 1xfu h LYS 340 Ca -0.01 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.42 1xfu h LYS 340 Cb 0.59 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1xfu h LYS 340 CO 0.02 0.74 0.41 1.03 -2.27 0.00 0.00 179.45 179.38 1xfu h SER 341 N 1.16 0.00 0.00 4.20 0.87 0.21 -3.45 113.55 116.53 1xfu h SER 341 Ca 0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1xfu h SER 341 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1xfu h SER 341 CO -0.14 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.77 1xfu n GLY 342 N -1.51 0.97 3.72 5.77 0.00 0.42 -5.00 105.19 109.56 1xfu n GLY 342 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1xfu n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfu s VAL 343 N -2.00 3.07 1.07 1.61 1.01 0.11 -3.53 120.40 121.74 1xfu s VAL 343 Ca 0.00 0.79 -0.14 0.00 0.00 0.00 0.00 61.98 62.63 1xfu s VAL 343 Cb 0.00 -3.51 0.23 0.00 0.00 0.00 0.00 36.38 33.10 1xfu s VAL 343 CO 0.00 0.08 1.08 0.00 0.00 0.00 0.00 175.10 176.26 1xfu s ALA 344 N 0.87 0.63 0.17 5.51 0.00 -1.10 -4.58 121.76 123.26 1xfu s ALA 344 Ca 0.64 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1xfu s ALA 344 Cb -0.39 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1xfu s ALA 344 CO 0.33 -3.16 0.01 0.95 0.00 0.00 0.00 175.76 173.89 1xfu s THR 345 N -2.90 3.81 0.06 0.00 -4.23 -1.26 -2.03 115.64 109.09 1xfu s THR 345 Ca 0.67 -1.38 -0.31 0.00 -1.18 0.00 0.00 61.69 59.49 1xfu s THR 345 Cb -0.18 -2.92 -0.07 0.00 1.34 0.00 0.00 72.50 70.67 1xfu s THR 345 CO 0.58 -0.11 1.53 -0.75 -0.54 0.00 0.00 174.62 175.33 1xfu s LYS 346 N -2.96 4.24 0.00 3.99 2.20 -0.23 -4.80 119.74 122.18 1xfu s LYS 346 Ca 0.28 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1xfu s LYS 346 Cb -0.09 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1xfu s LYS 346 CO 0.19 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1xfu n GLY 347 N 3.79 0.94 0.10 5.54 0.00 -1.26 -4.59 105.19 109.72 1xfu n GLY 347 Ca 0.14 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 1xfu n GLY 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xfu n LEU 348 N 0.00 0.16 -0.22 0.99 4.77 -1.26 -4.32 117.00 117.12 1xfu n LEU 348 Ca 0.00 -0.01 0.16 0.00 -0.03 0.00 0.00 56.01 56.13 1xfu n LEU 348 Cb 0.00 0.41 0.48 0.00 -2.33 0.00 0.00 43.42 41.97 1xfu n LEU 348 CO 0.00 0.50 1.22 -0.55 -1.33 0.00 0.00 177.39 177.23 1xfu h ASN 349 N 0.00 0.46 -3.26 -1.43 -0.00 -1.95 -3.39 115.58 106.01 1xfu h ASN 349 Ca -0.53 0.03 -0.60 0.00 -0.00 0.00 0.00 56.30 55.20 1xfu h ASN 349 Cb 2.18 -0.05 -0.12 0.00 -0.00 0.00 0.00 38.32 40.32 1xfu h ASN 349 CO 0.02 0.22 -0.50 -0.69 -0.00 0.00 0.00 177.43 176.48 1xfu s VAL 350 N -5.48 5.34 -0.18 6.14 1.01 -1.26 -4.63 120.40 121.35 1xfu s VAL 350 Ca -0.08 0.17 0.13 0.00 0.00 0.00 0.00 61.98 62.19 1xfu s VAL 350 Cb 0.22 -3.43 0.40 0.00 0.00 0.00 0.00 36.38 33.56 1xfu s VAL 350 CO 0.78 0.45 1.20 1.41 0.00 0.00 0.00 175.10 178.94 1xfu n HIS 351 N 3.50 0.00 -2.42 5.22 8.25 -1.26 -4.75 115.22 123.76 1xfu n HIS 351 Ca -0.16 -1.33 -0.27 0.00 -0.26 0.00 0.00 57.72 55.69 1xfu n HIS 351 Cb 0.52 -0.23 0.02 0.00 1.12 0.00 0.00 29.99 31.42 1xfu n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xfu s GLY 352 N -3.06 1.57 0.05 -1.41 0.00 -1.26 -4.88 107.32 98.32 1xfu s GLY 352 Ca 0.36 -0.55 -0.15 0.00 0.00 0.00 0.00 44.72 44.38 1xfu s GLY 352 CO -0.06 -0.31 0.47 0.54 0.00 0.00 0.00 173.10 173.74 1xfu s LYS 353 N -4.93 3.99 0.00 2.90 -0.14 -1.26 -5.06 119.74 115.24 1xfu s LYS 353 Ca 0.52 0.49 0.00 0.00 -1.36 0.00 0.00 55.97 55.61 1xfu s LYS 353 Cb -0.10 -3.16 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 1xfu s LYS 353 CO 0.46 0.63 0.00 0.45 -0.76 0.00 0.00 175.35 176.14 1xfu n SER 354 N 1.55 -0.14 -3.77 2.83 2.88 -1.26 -4.38 113.62 111.33 1xfu n SER 354 Ca -0.11 -0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.06 1xfu n SER 354 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 1xfu n SER 354 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xfu s SER 355 N -1.21 -0.05 -0.40 -3.46 0.15 -1.24 -2.37 113.70 105.11 1xfu s SER 355 Ca 0.00 -0.37 0.10 0.00 0.70 0.00 0.00 55.95 56.38 1xfu s SER 355 Cb 0.00 0.37 0.32 0.00 -1.71 0.00 0.00 66.02 65.00 1xfu s SER 355 CO 0.00 -0.69 0.70 -0.90 1.20 0.00 0.00 173.24 173.55 1xfu n ASP 356 N 0.25 1.08 0.00 5.45 3.85 -1.26 -2.29 116.55 123.63 1xfu n ASP 356 Ca -0.17 -3.01 0.00 0.00 -0.71 0.00 0.00 54.79 50.90 1xfu n ASP 356 Cb 0.61 -0.62 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 1xfu n ASP 356 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.20 173.52 1xfu n TRP 357 N 0.52 0.00 -4.26 2.11 4.27 -1.26 -4.98 117.44 113.83 1xfu n TRP 357 Ca 0.25 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 1xfu n TRP 357 Cb 0.60 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.55 1xfu n TRP 357 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1xfu n GLY 358 N -0.64 -1.69 0.15 -1.67 0.00 -1.24 -2.88 105.19 97.23 1xfu n GLY 358 Ca 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 46.02 44.69 1xfu n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfu h PRO 359 N 0.00 0.19 -0.19 1.61 0.13 -1.93 -3.30 132.00 128.51 1xfu h PRO 359 Ca 0.00 -0.15 -0.09 0.00 -0.87 0.00 0.00 66.00 64.89 1xfu h PRO 359 Cb 0.01 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1xfu h PRO 359 CO 0.00 0.80 -0.26 -0.24 -0.23 0.00 0.00 178.00 178.08 1xfu h VAL 360 N 0.13 1.25 -0.01 1.56 3.04 -1.94 -3.48 116.25 116.81 1xfu h VAL 360 Ca -0.02 -1.20 -0.01 0.00 -1.01 0.00 0.00 66.70 64.46 1xfu h VAL 360 Cb 1.22 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.90 1xfu h VAL 360 CO 0.10 0.37 0.00 0.00 -1.01 0.00 0.00 177.57 177.04 1xfu n ALA 361 N -2.48 -0.20 -0.16 3.17 0.00 -1.14 -1.67 120.51 118.03 1xfu n ALA 361 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xfu n ALA 361 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1xfu n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfu n GLY 362 N 0.03 0.61 3.46 0.00 0.00 -0.97 -4.92 105.19 103.40 1xfu n GLY 362 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xfu n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfu s TYR 363 N -2.37 2.31 -1.18 1.61 1.51 -0.67 -4.26 117.35 114.31 1xfu s TYR 363 Ca 0.00 -0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 55.62 1xfu s TYR 363 Cb 0.00 -1.06 0.22 0.00 -0.11 0.00 0.00 41.96 41.01 1xfu s TYR 363 CO 0.00 0.63 1.42 -0.89 -1.11 0.00 0.00 175.55 175.59 1xfu n ILE 364 N -0.26 4.53 -1.61 2.71 2.08 -1.20 -3.65 119.36 121.97 1xfu n ILE 364 Ca -0.08 -5.06 -0.64 0.00 0.56 0.00 0.00 62.75 57.53 1xfu n ILE 364 Cb 0.58 -2.43 -0.10 0.00 -0.75 0.00 0.00 39.64 36.94 1xfu n ILE 364 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1xfu n PRO 365 N 3.79 0.14 -0.32 0.38 -0.04 -1.26 -2.22 135.00 135.48 1xfu n PRO 365 Ca 0.32 0.05 0.22 0.00 -0.04 0.00 0.00 63.50 64.05 1xfu n PRO 365 Cb 0.39 -1.59 0.51 0.00 -0.04 0.00 0.00 33.50 32.78 1xfu n PRO 365 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1xfu h PHE 366 N 6.47 0.64 -3.27 0.54 3.57 -1.74 -3.29 116.94 119.85 1xfu h PHE 366 Ca -0.35 0.02 -0.58 0.00 3.53 0.00 0.00 57.97 60.59 1xfu h PHE 366 Cb 1.38 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 1xfu h PHE 366 CO 0.76 0.07 0.48 0.34 -2.23 0.00 0.00 178.31 177.72 1xfu s ASP 367 N -5.30 7.00 0.29 0.41 2.15 -1.26 -4.80 116.67 115.15 1xfu s ASP 367 Ca -0.09 1.23 0.15 0.00 0.43 0.00 0.00 52.55 54.28 1xfu s ASP 367 Cb 0.25 -2.48 0.24 0.00 -0.30 0.00 0.00 42.92 40.63 1xfu s ASP 367 CO 0.80 -0.45 1.52 1.56 -0.17 0.00 0.00 175.17 178.42 1xfu h GLN 368 N 7.35 0.00 -0.95 4.34 1.08 -1.87 -3.16 115.11 121.91 1xfu h GLN 368 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1xfu h GLN 368 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1xfu h GLN 368 CO 0.86 0.54 0.00 -3.47 -0.95 0.00 0.00 178.83 175.81 1xfu n ASP 369 N -3.36 1.35 -0.68 1.46 2.03 -1.26 -1.52 116.55 114.57 1xfu n ASP 369 Ca 0.01 -1.49 0.02 0.00 0.52 0.00 0.00 54.79 53.85 1xfu n ASP 369 Cb 0.69 -0.37 0.03 0.00 -0.72 0.00 0.00 41.12 40.74 1xfu n ASP 369 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1xfu n LEU 370 N 0.33 0.58 -4.27 -2.67 0.00 -1.19 -4.83 117.00 104.96 1xfu n LEU 370 Ca 0.00 -1.56 -0.16 0.00 0.00 0.00 0.00 56.01 54.29 1xfu n LEU 370 Cb 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 43.42 43.51 1xfu n LEU 370 CO 0.00 0.40 -0.42 -0.94 0.00 0.00 0.00 177.39 176.43 1xfu s SER 371 N -1.51 1.98 0.00 1.96 1.04 -0.58 -4.72 113.70 111.87 1xfu s SER 371 Ca 0.12 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1xfu s SER 371 Cb 0.13 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1xfu s SER 371 CO -0.04 -0.27 0.00 2.29 0.98 0.00 0.00 173.24 176.20 1xfu n LYS 372 N -0.13 0.00 -0.52 4.02 2.85 -1.00 -2.29 118.16 121.08 1xfu n LYS 372 Ca -0.11 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.90 1xfu n LYS 372 Cb 0.60 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.93 1xfu n LYS 372 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xfu n LYS 373 N -3.32 0.74 -2.89 -1.58 4.76 -1.26 -4.83 118.16 109.77 1xfu n LYS 373 Ca 0.00 -1.11 -0.43 0.00 -2.87 0.00 0.00 58.31 53.90 1xfu n LYS 373 Cb 0.00 -2.42 -0.04 0.00 -1.84 0.00 0.00 35.03 30.73 1xfu n LYS 373 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1xfu s HIS 374 N 5.23 2.82 0.00 2.13 5.65 -0.97 -3.80 115.29 126.34 1xfu s HIS 374 Ca 0.39 -0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.55 1xfu s HIS 374 Cb 0.09 -4.01 0.00 0.00 -1.18 0.00 0.00 32.58 27.48 1xfu s HIS 374 CO 0.11 -1.34 0.00 0.41 -0.65 0.00 0.00 174.74 173.28 1xfu n GLY 375 N 5.15 0.49 3.39 1.59 0.00 -1.26 -5.01 105.19 109.55 1xfu n GLY 375 Ca -0.00 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1xfu n GLY 375 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xfu n GLN 376 N 0.00 0.16 -0.25 1.61 3.00 -1.25 -4.71 117.38 115.95 1xfu n GLN 376 Ca 0.00 -1.02 0.23 0.00 -0.01 0.00 0.00 57.00 56.20 1xfu n GLN 376 Cb 0.00 -2.47 0.35 0.00 0.00 0.00 0.00 30.24 28.12 1xfu n GLN 376 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1xfu n GLN 377 N 7.48 0.01 -0.07 -1.09 0.00 -1.26 0.71 117.38 123.15 1xfu n GLN 377 Ca 0.41 0.62 -0.08 0.00 -0.00 0.00 0.00 57.00 57.96 1xfu n GLN 377 Cb 0.36 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 29.00 1xfu n GLN 377 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1xfu n LEU 378 N -2.72 0.51 -0.10 1.69 7.94 -1.26 -2.80 117.00 120.25 1xfu n LEU 378 Ca 0.19 -0.02 -0.11 0.00 -1.11 0.00 0.00 56.01 54.96 1xfu n LEU 378 Cb 1.03 0.18 -0.04 0.00 0.53 0.00 0.00 43.42 45.12 1xfu n LEU 378 CO 0.19 0.42 0.75 0.00 -1.11 0.00 0.00 177.39 177.64 1xfu h ALA 379 N 0.57 0.40 -0.34 1.96 0.00 -0.10 0.73 119.26 122.48 1xfu h ALA 379 Ca -0.38 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1xfu h ALA 379 Cb 1.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1xfu h ALA 379 CO 0.01 0.17 -0.13 0.28 0.00 0.00 0.00 179.25 179.57 1xfu h VAL 380 N 0.31 1.29 0.33 0.00 2.07 -0.91 2.07 116.25 121.40 1xfu h VAL 380 Ca 0.08 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1xfu h VAL 380 Cb 0.47 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1xfu h VAL 380 CO 0.02 0.40 -0.50 -0.08 0.02 0.00 0.00 177.57 177.43 1xfu h GLU 381 N 0.47 -0.84 0.00 1.57 4.57 -1.30 0.49 114.58 119.53 1xfu h GLU 381 Ca 0.08 0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1xfu h GLU 381 Cb 0.66 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1xfu h GLU 381 CO 0.04 -0.56 -0.32 -0.22 -1.18 0.00 0.00 179.01 176.78 1xfu h LYS 382 N -0.87 0.00 -0.10 1.92 3.64 0.59 -2.82 116.57 118.93 1xfu h LYS 382 Ca -0.03 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xfu h LYS 382 Cb 0.81 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1xfu h LYS 382 CO -0.16 0.32 0.02 0.78 -2.27 0.00 0.00 179.45 178.14 1xfu h GLY 383 N 1.01 0.11 0.97 5.01 0.00 0.53 -1.98 103.07 108.71 1xfu h GLY 383 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1xfu h GLY 383 CO 0.04 0.01 -0.14 3.43 0.00 0.00 0.00 176.54 179.88 1xfu h ASN 384 N 0.07 -0.34 -0.29 0.19 2.35 0.05 -1.32 115.58 116.28 1xfu h ASN 384 Ca 0.04 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1xfu h ASN 384 Cb 0.03 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1xfu h ASN 384 CO -0.05 -0.23 0.81 0.25 -1.65 0.00 0.00 177.43 176.55 1xfu h LEU 385 N -0.37 0.00 0.17 1.61 7.12 -1.21 0.18 115.31 122.80 1xfu h LEU 385 Ca -0.03 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.71 1xfu h LEU 385 Cb 0.30 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.45 1xfu h LEU 385 CO 0.05 0.00 -1.24 -0.08 -0.13 0.00 0.00 178.44 177.04 1xfu h GLU 386 N 0.00 0.36 -0.33 1.25 4.57 -0.49 -3.18 114.58 116.75 1xfu h GLU 386 Ca 0.14 -0.61 -0.09 0.00 -1.18 0.00 0.00 59.36 57.61 1xfu h GLU 386 Cb 1.76 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 30.56 1xfu h GLU 386 CO -0.00 1.29 -0.16 -0.91 -1.18 0.00 0.00 179.01 178.06 1xfu h ASN 387 N -0.17 0.72 -0.46 1.04 -0.26 -0.93 -1.06 115.58 114.45 1xfu h ASN 387 Ca -0.23 -0.40 0.08 0.00 -0.56 0.00 0.00 56.30 55.19 1xfu h ASN 387 Cb 1.86 -0.20 -0.10 0.00 -1.06 0.00 0.00 38.32 38.82 1xfu h ASN 387 CO 0.16 0.96 -0.36 0.11 -1.06 0.00 0.00 177.43 177.24 1xfu h LYS 388 N 0.47 -0.24 -0.57 0.81 1.57 -1.58 -0.01 116.57 117.02 1xfu h LYS 388 Ca 0.08 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1xfu h LYS 388 Cb 0.69 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1xfu h LYS 388 CO 0.05 -0.16 0.07 -0.22 -0.57 0.00 0.00 179.45 178.62 1xfu h LYS 389 N -0.25 0.96 -0.95 3.15 3.64 -1.52 0.99 116.57 122.61 1xfu h LYS 389 Ca 0.18 -0.27 0.29 0.00 -1.27 0.00 0.00 60.65 59.57 1xfu h LYS 389 Cb 0.56 -0.11 -0.15 0.00 -0.41 0.00 0.00 32.23 32.12 1xfu h LYS 389 CO -0.59 0.93 0.34 0.77 -2.27 0.00 0.00 179.45 178.63 1xfu h SER 390 N 0.86 0.13 0.00 4.20 0.02 0.31 0.27 113.55 119.33 1xfu h SER 390 Ca 0.17 0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1xfu h SER 390 Cb 0.45 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1xfu h SER 390 CO 0.02 -0.21 -0.32 0.40 -1.14 0.00 0.00 176.83 175.57 1xfu h ILE 391 N 0.19 0.72 -0.28 3.27 2.04 -0.43 -2.88 117.51 120.15 1xfu h ILE 391 Ca 0.65 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1xfu h ILE 391 Cb 1.44 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 1xfu h ILE 391 CO -0.69 0.24 -0.16 0.41 0.00 0.00 0.00 178.15 177.95 1xfu n THR 392 N -4.63 -0.19 0.13 -0.27 -1.04 0.34 -2.32 114.28 106.29 1xfu n THR 392 Ca -0.10 1.42 -0.05 0.00 -2.04 0.00 0.00 64.05 63.28 1xfu n THR 392 Cb 0.32 -1.83 -0.02 0.00 -1.82 0.00 0.00 70.33 66.97 1xfu n THR 392 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1xfu h GLU 393 N 0.00 -0.33 -4.65 -2.82 5.08 -0.69 -3.38 114.58 107.79 1xfu h GLU 393 Ca 0.04 0.02 -0.72 0.00 -1.00 0.00 0.00 59.36 57.71 1xfu h GLU 393 Cb 0.11 0.07 -0.20 0.00 0.50 0.00 0.00 28.75 29.24 1xfu h GLU 393 CO -0.26 -0.22 0.55 -1.01 -1.00 0.00 0.00 179.01 177.07 1xfu s HIS 394 N -3.31 3.29 0.41 4.33 3.76 -1.08 -5.02 115.29 117.67 1xfu s HIS 394 Ca -0.05 -1.52 0.08 0.00 -0.15 0.00 0.00 55.06 53.42 1xfu s HIS 394 Cb 0.00 -4.12 -0.01 0.00 1.11 0.00 0.00 32.58 29.57 1xfu s HIS 394 CO 0.15 -1.33 0.46 -1.83 -0.85 0.00 0.00 174.74 171.34 1xfu s GLU 395 N 1.96 2.71 0.00 1.40 4.04 -0.98 -2.76 118.70 125.07 1xfu s GLU 395 Ca 0.26 -1.36 0.00 0.00 0.04 0.00 0.00 54.97 53.92 1xfu s GLU 395 Cb -0.08 -2.58 0.00 0.00 0.02 0.00 0.00 34.13 31.49 1xfu s GLU 395 CO -0.08 -0.19 0.00 0.41 -1.84 0.00 0.00 175.26 173.57 1xfu n GLY 396 N -1.67 2.08 0.00 -3.83 0.00 -1.26 -4.38 105.19 96.13 1xfu n GLY 396 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xfu n GLY 396 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xfu n GLU 397 N -1.79 1.79 -4.29 1.61 4.07 -1.26 -4.69 120.64 116.09 1xfu n GLU 397 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1xfu n GLU 397 Cb 0.00 -0.92 -0.16 0.00 -0.06 0.00 0.00 31.44 30.30 1xfu n GLU 397 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1xfu s ILE 398 N -1.84 1.90 0.00 6.31 -1.09 -1.11 0.17 121.20 125.53 1xfu s ILE 398 Ca 0.00 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1xfu s ILE 398 Cb 0.00 -1.72 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1xfu s ILE 398 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1xfu n GLY 399 N 4.46 2.93 3.09 6.18 0.00 -0.56 -4.34 105.19 116.95 1xfu n GLY 399 Ca -0.20 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.63 1xfu n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfu s LYS 400 N -0.09 1.70 0.15 1.61 0.00 -1.26 0.10 119.74 121.96 1xfu s LYS 400 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 55.97 55.49 1xfu s LYS 400 Cb 0.00 -1.46 -0.04 0.00 0.00 0.00 0.00 37.83 36.33 1xfu s LYS 400 CO 0.00 0.17 -0.11 0.96 0.00 0.00 0.00 175.35 176.37 1xfu s ILE 401 N 0.22 1.26 0.35 3.79 -4.36 -0.28 -4.84 121.20 117.33 1xfu s ILE 401 Ca -0.07 -2.05 -0.28 0.00 -0.26 0.00 0.00 60.65 57.99 1xfu s ILE 401 Cb -0.12 -1.84 -0.10 0.00 1.25 0.00 0.00 42.46 41.64 1xfu s ILE 401 CO 0.03 -0.70 1.36 -2.84 0.24 0.00 0.00 174.94 173.03 1xfu s PRO 402 N -3.63 4.24 -0.49 0.37 0.02 -1.26 0.17 135.00 134.42 1xfu s PRO 402 Ca 0.17 2.31 -0.28 0.00 0.02 0.00 0.00 61.00 63.22 1xfu s PRO 402 Cb 0.01 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1xfu s PRO 402 CO 0.02 -0.32 1.57 -1.17 -0.33 0.00 0.00 177.00 176.77 1xfu s LEU 403 N -1.95 3.44 -0.61 -5.54 2.96 0.37 -4.84 118.68 112.51 1xfu s LEU 403 Ca 0.51 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.99 1xfu s LEU 403 Cb -0.41 -3.16 0.16 0.00 0.50 0.00 0.00 46.19 43.27 1xfu s LEU 403 CO 0.55 -1.77 0.43 -0.54 -1.32 0.00 0.00 176.35 173.71 1xfu s LYS 404 N 5.68 2.57 -0.49 1.98 1.02 -1.26 -2.12 119.74 127.12 1xfu s LYS 404 Ca 0.62 -2.40 -0.27 0.00 0.02 0.00 0.00 55.97 53.94 1xfu s LYS 404 Cb -0.14 -3.78 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 1xfu s LYS 404 CO 0.28 -1.17 1.75 -0.51 -0.92 0.00 0.00 175.35 174.78 1xfu s LEU 405 N 0.17 3.40 0.00 3.17 1.02 -1.22 -4.96 118.68 120.26 1xfu s LEU 405 Ca 0.15 0.70 0.00 0.00 0.02 0.00 0.00 54.13 55.00 1xfu s LEU 405 Cb -0.20 -3.00 0.00 0.00 0.02 0.00 0.00 46.19 43.01 1xfu s LEU 405 CO -0.04 -2.00 0.00 -0.90 0.02 0.00 0.00 176.35 173.43 1xfu n ASP 406 N 11.24 -1.17 0.00 2.29 5.75 -1.26 -4.77 116.55 128.63 1xfu n ASP 406 Ca 0.20 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1xfu n ASP 406 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1xfu n ASP 406 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xfu n HIS 407 N -2.21 0.00 -0.33 2.11 8.25 -1.26 -3.55 115.22 118.23 1xfu n HIS 407 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 1xfu n HIS 407 Cb 0.00 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.44 1xfu n HIS 407 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xfu h LEU 408 N 0.00 -0.32 -0.62 2.41 4.07 -2.01 -1.83 115.31 117.00 1xfu h LEU 408 Ca 0.00 0.27 0.10 0.00 0.08 0.00 0.00 57.88 58.33 1xfu h LEU 408 Cb 0.00 0.44 -0.11 0.00 1.08 0.00 0.00 40.66 42.06 1xfu h LEU 408 CO 0.00 -0.35 -0.40 -0.09 -1.08 0.00 0.00 178.44 176.52 1xfu h ARG 409 N 0.02 -0.18 -0.51 1.13 9.65 -1.93 -1.87 114.38 120.69 1xfu h ARG 409 Ca 0.63 0.01 0.10 0.00 -1.10 0.00 0.00 59.98 59.63 1xfu h ARG 409 Cb 1.37 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 29.90 1xfu h ARG 409 CO -0.88 -0.12 -0.03 0.82 2.80 0.00 0.00 179.97 182.56 1xfu h ILE 410 N -0.19 0.56 0.00 1.20 1.08 -1.38 0.21 117.51 119.00 1xfu h ILE 410 Ca 0.21 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.64 1xfu h ILE 410 Cb 0.56 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1xfu h ILE 410 CO -0.71 0.02 -0.03 -0.33 -0.69 0.00 0.00 178.15 176.41 1xfu h GLU 411 N 0.08 0.00 0.03 2.37 5.08 -1.45 -2.57 114.58 118.13 1xfu h GLU 411 Ca 0.26 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1xfu h GLU 411 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1xfu h GLU 411 CO -0.46 0.03 -0.01 1.49 -1.00 0.00 0.00 179.01 179.05 1xfu h GLU 412 N 0.00 -0.04 0.00 2.33 4.81 -0.15 -2.74 114.58 118.79 1xfu h GLU 412 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xfu h GLU 412 Cb 0.07 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1xfu h GLU 412 CO 0.00 0.60 0.00 1.28 -0.73 0.00 0.00 179.01 180.16 1xfu n LEU 413 N -4.79 0.00 -0.04 1.64 4.77 -0.76 -2.75 117.00 115.07 1xfu n LEU 413 Ca -0.09 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.87 1xfu n LEU 413 Cb 0.32 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1xfu n LEU 413 CO 0.32 0.00 -0.18 1.17 -1.33 0.00 0.00 177.39 177.37 1xfu n LYS 414 N -0.93 0.23 0.00 3.23 0.00 -0.99 -0.25 118.16 119.45 1xfu n LYS 414 Ca 0.11 0.38 0.02 0.00 0.00 0.00 0.00 58.31 58.83 1xfu n LYS 414 Cb 0.05 -1.22 0.14 0.00 0.00 0.00 0.00 35.03 34.00 1xfu n LYS 414 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xfu n GLU 415 N -3.46 0.43 -0.04 1.64 0.00 -1.05 -0.63 120.64 117.54 1xfu n GLU 415 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.14 1xfu n GLU 415 Cb 0.14 -1.17 -0.13 0.00 0.00 0.00 0.00 31.44 30.27 1xfu n GLU 415 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1xfu n ASN 416 N -0.67 1.04 0.00 -1.84 2.85 -1.11 -5.00 115.26 110.52 1xfu n ASN 416 Ca 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.51 1xfu n ASN 416 Cb 0.02 1.43 0.00 0.00 1.24 0.00 0.00 39.78 42.47 1xfu n ASN 416 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xfu n GLY 417 N 1.71 0.70 0.21 8.20 0.00 0.20 -4.94 105.19 111.27 1xfu n GLY 417 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 1xfu n GLY 417 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xfu h ILE 418 N 0.00 1.31 -4.12 -0.61 1.08 -1.56 -3.45 117.51 110.15 1xfu h ILE 418 Ca 0.00 -1.56 -0.15 0.00 -0.39 0.00 0.00 64.86 62.77 1xfu h ILE 418 Cb 0.00 1.62 -0.18 0.00 -3.07 0.00 0.00 36.82 35.19 1xfu h ILE 418 CO 0.00 0.48 -0.69 0.27 -0.69 0.00 0.00 178.15 177.52 1xfu s ILE 419 N -4.19 0.19 -0.20 -0.67 -4.36 0.65 -3.59 121.20 109.04 1xfu s ILE 419 Ca -0.06 -1.42 -0.01 0.00 -0.26 0.00 0.00 60.65 58.90 1xfu s ILE 419 Cb 0.13 -0.98 0.05 0.00 1.25 0.00 0.00 42.46 42.91 1xfu s ILE 419 CO 0.80 -0.78 -0.03 -0.22 0.24 0.00 0.00 174.94 174.95 1xfu s LEU 420 N -2.29 1.84 -0.33 0.37 1.98 -0.47 -4.26 118.68 115.52 1xfu s LEU 420 Ca -0.03 -0.88 -0.23 0.00 -2.89 0.00 0.00 54.13 50.10 1xfu s LEU 420 Cb 0.00 -0.93 0.00 0.00 0.66 0.00 0.00 46.19 45.93 1xfu s LEU 420 CO -0.06 -0.23 0.79 -0.75 -1.89 0.00 0.00 176.35 174.21 1xfu s LYS 421 N 1.61 3.88 0.00 1.98 2.20 -1.26 -1.87 119.74 126.28 1xfu s LYS 421 Ca -0.02 0.48 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 1xfu s LYS 421 Cb -0.17 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 1xfu s LYS 421 CO -0.07 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 1xfu n GLY 422 N 4.34 5.07 2.69 5.54 0.00 -1.26 -5.05 105.19 116.52 1xfu n GLY 422 Ca 0.04 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1xfu n GLY 422 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfu n LYS 423 N 0.00 0.00 -4.33 1.61 4.81 -1.26 -4.58 118.16 114.41 1xfu n LYS 423 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1xfu n LYS 423 Cb 0.00 -0.87 -0.04 0.00 0.02 0.00 0.00 35.03 34.14 1xfu n LYS 423 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1xfu s LYS 424 N -1.48 2.23 -0.06 1.64 1.02 -1.26 -2.43 119.74 119.41 1xfu s LYS 424 Ca 0.40 -2.22 -0.31 0.00 0.02 0.00 0.00 55.97 53.86 1xfu s LYS 424 Cb -0.24 -1.81 0.11 0.00 -0.52 0.00 0.00 37.83 35.37 1xfu s LYS 424 CO 0.68 -0.49 1.09 -2.00 -0.92 0.00 0.00 175.35 173.70 1xfu s GLU 425 N -4.08 0.60 -0.00 1.68 2.56 -0.76 -4.84 118.70 113.85 1xfu s GLU 425 Ca 0.19 -0.26 0.08 0.00 0.00 0.00 0.00 54.97 54.98 1xfu s GLU 425 Cb -0.00 0.25 -0.02 0.00 2.00 0.00 0.00 34.13 36.36 1xfu s GLU 425 CO 0.12 -0.27 -0.25 0.42 -0.56 0.00 0.00 175.26 174.72 1xfu s ILE 426 N -2.76 1.95 -0.26 -3.70 -1.09 -1.26 -2.10 121.20 111.99 1xfu s ILE 426 Ca 0.09 -1.12 -0.08 0.00 -2.23 0.00 0.00 60.65 57.31 1xfu s ILE 426 Cb -0.00 -1.63 0.12 0.00 -1.58 0.00 0.00 42.46 39.36 1xfu s ILE 426 CO -0.05 0.49 0.55 -0.62 -1.23 0.00 0.00 174.94 174.09 1xfu s ASP 427 N -0.73 -0.77 0.00 3.58 3.68 -1.10 -4.91 116.67 116.42 1xfu s ASP 427 Ca 0.10 1.31 0.00 0.00 2.13 0.00 0.00 52.55 56.09 1xfu s ASP 427 Cb -0.09 1.90 0.00 0.00 -1.45 0.00 0.00 42.92 43.28 1xfu s ASP 427 CO -0.00 -0.23 0.00 0.59 0.13 0.00 0.00 175.17 175.66 1xfu n ASN 428 N 5.42 -3.48 0.00 -0.34 3.02 -1.26 -2.07 115.26 116.55 1xfu n ASN 428 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1xfu n ASN 428 Cb 0.49 -3.08 0.00 0.00 -0.61 0.00 0.00 39.78 36.58 1xfu n ASN 428 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xfu n GLY 429 N -0.26 1.31 3.61 7.41 0.00 -1.26 -5.12 105.19 110.89 1xfu n GLY 429 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1xfu n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfu s LYS 430 N -0.09 2.20 0.09 1.61 1.02 -0.88 -5.12 119.74 118.57 1xfu s LYS 430 Ca 0.00 -1.28 -0.21 0.00 0.02 0.00 0.00 55.97 54.49 1xfu s LYS 430 Cb 0.00 -2.20 -0.07 0.00 -0.52 0.00 0.00 37.83 35.04 1xfu s LYS 430 CO 0.00 0.42 0.64 0.15 -0.92 0.00 0.00 175.35 175.64 1xfu s LYS 431 N -3.11 4.34 -0.21 1.68 1.02 -1.26 -2.71 119.74 119.49 1xfu s LYS 431 Ca 0.27 0.88 -0.02 0.00 0.02 0.00 0.00 55.97 57.12 1xfu s LYS 431 Cb -0.08 -3.26 0.06 0.00 -0.52 0.00 0.00 37.83 34.03 1xfu s LYS 431 CO 0.17 0.57 0.03 0.71 -0.92 0.00 0.00 175.35 175.92 1xfu s TYR 432 N -0.96 1.21 0.14 3.18 4.12 -0.89 -2.00 117.35 122.14 1xfu s TYR 432 Ca 0.32 -1.02 -0.30 0.00 0.02 0.00 0.00 57.07 56.08 1xfu s TYR 432 Cb -0.20 -1.14 -0.07 0.00 -1.52 0.00 0.00 41.96 39.03 1xfu s TYR 432 CO 0.21 -0.65 1.08 0.71 0.02 0.00 0.00 175.55 176.92 1xfu s TYR 433 N 1.79 3.62 -0.20 2.71 1.51 -1.12 -1.83 117.35 123.83 1xfu s TYR 433 Ca -0.00 1.60 -0.25 0.00 -1.01 0.00 0.00 57.07 57.40 1xfu s TYR 433 Cb -0.17 -3.25 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 1xfu s TYR 433 CO -0.10 -0.52 0.85 -1.17 -1.11 0.00 0.00 175.55 173.50 1xfu s LEU 434 N 0.01 4.13 -0.17 -1.29 1.98 -1.02 -1.42 118.68 120.91 1xfu s LEU 434 Ca 0.50 1.14 -0.19 0.00 -2.89 0.00 0.00 54.13 52.70 1xfu s LEU 434 Cb -0.28 -3.24 -0.03 0.00 0.66 0.00 0.00 46.19 43.30 1xfu s LEU 434 CO 0.33 -0.46 0.53 -0.76 -1.89 0.00 0.00 176.35 174.09 1xfu s LEU 435 N 2.48 4.19 0.12 -0.68 1.43 0.15 -4.00 118.68 122.37 1xfu s LEU 435 Ca 0.37 0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 54.19 1xfu s LEU 435 Cb -0.16 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 1xfu s LEU 435 CO 0.10 -0.14 0.35 -0.70 0.23 0.00 0.00 176.35 176.19 1xfu s GLU 436 N 1.35 3.60 -0.28 1.70 2.56 -0.78 -3.40 118.70 123.46 1xfu s GLU 436 Ca 0.26 -0.11 -0.19 0.00 0.00 0.00 0.00 54.97 54.92 1xfu s GLU 436 Cb -0.15 -2.89 0.10 0.00 2.00 0.00 0.00 34.13 33.18 1xfu s GLU 436 CO 0.10 0.50 0.80 0.45 -0.56 0.00 0.00 175.26 176.56 1xfu s SER 437 N -2.35 -0.75 0.00 -1.70 0.15 -1.26 -1.36 113.70 106.43 1xfu s SER 437 Ca 0.39 1.27 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1xfu s SER 437 Cb -0.12 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1xfu s SER 437 CO 0.24 -0.21 0.12 -3.20 1.20 0.00 0.00 173.24 171.39 1xfu n ASN 438 N 3.52 0.00 -4.77 5.45 4.05 -1.26 -4.70 115.26 117.55 1xfu n ASN 438 Ca -0.17 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.45 1xfu n ASN 438 Cb 0.57 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.57 1xfu n ASN 438 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1xfu s ASN 439 N -1.75 6.57 -0.28 1.20 3.84 -1.26 -4.92 114.94 118.34 1xfu s ASN 439 Ca 0.00 2.84 0.12 0.00 0.21 0.00 0.00 52.86 56.03 1xfu s ASN 439 Cb 0.00 -2.65 0.70 0.00 -0.55 0.00 0.00 41.25 38.75 1xfu s ASN 439 CO 0.00 -0.70 1.70 0.00 -2.79 0.00 0.00 177.10 175.30 1xfu n GLN 440 N 0.87 3.64 0.00 0.43 10.64 -1.26 -4.51 117.38 127.19 1xfu n GLN 440 Ca 0.01 -3.07 0.00 0.00 -1.83 0.00 0.00 57.00 52.11 1xfu n GLN 440 Cb 0.40 -2.12 0.00 0.00 -0.86 0.00 0.00 30.24 27.66 1xfu n GLN 440 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1xfu n VAL 441 N -0.16 0.00 -4.15 -0.39 0.31 -1.26 -4.92 118.33 107.75 1xfu n VAL 441 Ca 0.34 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.36 1xfu n VAL 441 Cb 1.23 -0.09 -0.08 0.00 -0.91 0.00 0.00 33.84 33.99 1xfu n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1xfu s TYR 442 N -1.11 3.12 0.20 3.52 4.12 -1.26 0.87 117.35 126.80 1xfu s TYR 442 Ca 0.00 0.07 0.10 0.00 0.02 0.00 0.00 57.07 57.26 1xfu s TYR 442 Cb 0.00 -1.63 -0.04 0.00 -1.52 0.00 0.00 41.96 38.76 1xfu s TYR 442 CO 0.00 0.50 -0.20 -1.21 0.02 0.00 0.00 175.55 174.66 1xfu s GLU 443 N -2.01 1.42 0.01 -0.62 2.02 -0.79 -4.73 118.70 114.00 1xfu s GLU 443 Ca 0.24 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1xfu s GLU 443 Cb -0.12 -1.52 -0.01 0.00 0.10 0.00 0.00 34.13 32.58 1xfu s GLU 443 CO 0.16 0.30 -0.02 -0.06 0.02 0.00 0.00 175.26 175.67 1xfu s PHE 444 N -2.15 0.18 -0.01 1.61 0.40 -1.22 -2.80 117.98 113.99 1xfu s PHE 444 Ca 0.21 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1xfu s PHE 444 Cb -0.06 -0.12 -0.00 0.00 0.51 0.00 0.00 43.02 43.35 1xfu s PHE 444 CO 0.09 -0.10 0.07 -0.98 0.70 0.00 0.00 175.22 175.00 1xfu s ARG 445 N -0.81 0.27 -0.16 0.44 1.70 -0.60 0.31 118.95 120.09 1xfu s ARG 445 Ca -0.09 -0.23 0.01 0.00 -0.47 0.00 0.00 55.73 54.95 1xfu s ARG 445 Cb -0.06 0.11 0.01 0.00 -0.57 0.00 0.00 34.95 34.44 1xfu s ARG 445 CO -0.01 -0.05 -0.18 -1.50 -1.08 0.00 0.00 175.30 172.49 1xfu s ILE 446 N -0.78 2.38 1.13 4.99 2.07 -0.51 -1.33 121.20 129.15 1xfu s ILE 446 Ca -0.09 -0.86 -0.16 0.00 -1.41 0.00 0.00 60.65 58.14 1xfu s ILE 446 Cb -0.05 -1.99 0.17 0.00 0.13 0.00 0.00 42.46 40.72 1xfu s ILE 446 CO 0.00 0.52 0.43 -0.24 -1.91 0.00 0.00 174.94 173.75 1xfu n SER 447 N 4.26 -2.07 -0.06 4.50 2.88 -1.06 -2.80 113.62 119.27 1xfu n SER 447 Ca -0.20 -0.10 -0.13 0.00 -1.33 0.00 0.00 58.87 57.12 1xfu n SER 447 Cb 0.51 -1.10 -0.04 0.00 -0.75 0.00 0.00 64.21 62.83 1xfu n SER 447 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1xfu n ASP 448 N -2.94 1.32 0.00 -3.46 -0.08 -0.85 -4.26 116.55 106.29 1xfu n ASP 448 Ca 0.02 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.52 1xfu n ASP 448 Cb 0.58 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.53 1xfu n ASP 448 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1xfu n GLU 449 N -3.86 0.00 -4.32 -0.67 2.13 -1.26 -4.18 120.64 108.49 1xfu n GLU 449 Ca -0.23 0.86 -0.33 0.00 0.66 0.00 0.00 57.16 58.12 1xfu n GLU 449 Cb 0.57 -1.38 -0.09 0.00 0.27 0.00 0.00 31.44 30.81 1xfu n GLU 449 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1xfu s ASN 450 N -2.96 5.17 -0.02 4.31 4.22 -1.26 -5.01 114.94 119.39 1xfu s ASN 450 Ca 0.00 0.05 0.00 0.00 -2.14 0.00 0.00 52.86 50.77 1xfu s ASN 450 Cb 0.00 -1.39 0.02 0.00 1.28 0.00 0.00 41.25 41.16 1xfu s ASN 450 CO 0.00 0.31 1.43 0.59 -2.04 0.00 0.00 177.10 177.39 1xfu n ASN 451 N 1.65 4.00 -3.22 3.54 4.13 -1.26 -4.26 115.26 119.85 1xfu n ASN 451 Ca -0.16 -2.22 -0.16 0.00 1.68 0.00 0.00 54.58 53.72 1xfu n ASN 451 Cb 0.53 -0.76 0.16 0.00 -1.54 0.00 0.00 39.78 38.17 1xfu n ASN 451 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1xfu n GLU 452 N 0.83 -2.74 -3.90 3.52 1.02 -1.26 -3.38 120.64 114.73 1xfu n GLU 452 Ca 0.02 -0.77 -0.10 0.00 -0.02 0.00 0.00 57.16 56.29 1xfu n GLU 452 Cb 0.53 -1.14 -0.09 0.00 -0.02 0.00 0.00 31.44 30.72 1xfu n GLU 452 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xfu s VAL 453 N -1.64 0.12 0.13 2.62 1.01 -0.90 -2.55 120.40 119.19 1xfu s VAL 453 Ca 0.35 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1xfu s VAL 453 Cb -0.06 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1xfu s VAL 453 CO 0.30 -0.55 0.29 -1.10 0.00 0.00 0.00 175.10 174.04 1xfu s GLN 454 N -2.50 1.04 0.32 2.72 -0.21 -0.44 -1.00 119.66 119.58 1xfu s GLN 454 Ca -0.06 -0.97 -0.05 0.00 0.02 0.00 0.00 55.36 54.30 1xfu s GLN 454 Cb -0.02 0.40 0.00 0.00 1.00 0.00 0.00 33.01 34.39 1xfu s GLN 454 CO -0.04 -0.38 0.48 1.52 -2.12 0.00 0.00 175.29 174.75 1xfu s TYR 455 N -3.89 0.86 -0.06 0.91 -0.00 -0.47 -1.56 117.35 113.14 1xfu s TYR 455 Ca 0.09 -1.15 -0.31 0.00 -0.00 0.00 0.00 57.07 55.70 1xfu s TYR 455 Cb 0.03 0.01 0.11 0.00 -0.00 0.00 0.00 41.96 42.11 1xfu s TYR 455 CO -0.07 -1.11 1.06 -1.59 -0.00 0.00 0.00 175.55 173.84 1xfu s LYS 456 N -3.27 0.61 -0.04 -3.49 -2.85 -1.12 -1.31 119.74 108.27 1xfu s LYS 456 Ca 0.28 -0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 54.70 1xfu s LYS 456 Cb -0.00 0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1xfu s LYS 456 CO 0.17 -0.27 1.06 0.95 0.10 0.00 0.00 175.35 177.35 1xfu s THR 457 N -2.80 4.63 0.59 3.79 -4.23 0.70 -1.89 115.64 116.43 1xfu s THR 457 Ca 0.08 1.90 -0.18 0.00 -1.18 0.00 0.00 61.69 62.31 1xfu s THR 457 Cb -0.00 -4.22 -0.08 0.00 1.34 0.00 0.00 72.50 69.54 1xfu s THR 457 CO -0.06 0.07 0.50 0.29 -0.54 0.00 0.00 174.62 174.88 1xfu n LYS 458 N 4.56 0.47 0.00 3.99 5.02 0.25 -4.76 118.16 127.69 1xfu n LYS 458 Ca 0.08 0.19 0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1xfu n LYS 458 Cb 0.49 -1.69 0.18 0.00 -0.02 0.00 0.00 35.03 33.99 1xfu n LYS 458 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xfu n GLU 459 N -0.08 0.22 -2.32 1.97 1.02 -1.26 -2.38 120.64 117.81 1xfu n GLU 459 Ca 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.23 1xfu n GLU 459 Cb 0.48 -1.43 0.05 0.00 -0.02 0.00 0.00 31.44 30.51 1xfu n GLU 459 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfu n GLY 460 N -0.51 2.41 3.78 0.62 0.00 -1.26 -5.10 105.19 105.13 1xfu n GLY 460 Ca 0.05 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 1xfu n GLY 460 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xfu s LYS 461 N -2.92 2.24 0.24 1.61 2.47 -1.00 -5.12 119.74 117.26 1xfu s LYS 461 Ca 0.32 -1.48 -0.03 0.00 -1.56 0.00 0.00 55.97 53.22 1xfu s LYS 461 Cb 0.35 0.62 -0.03 0.00 -1.46 0.00 0.00 37.83 37.31 1xfu s LYS 461 CO -0.06 -1.04 0.27 -1.50 0.16 0.00 0.00 175.35 173.18 1xfu s ILE 462 N -2.30 0.00 0.02 5.43 2.07 -1.26 -4.70 121.20 120.47 1xfu s ILE 462 Ca 0.17 -1.81 -0.21 0.00 -1.41 0.00 0.00 60.65 57.39 1xfu s ILE 462 Cb -0.05 -2.44 -0.06 0.00 0.13 0.00 0.00 42.46 40.04 1xfu s ILE 462 CO 0.12 0.00 0.62 -0.89 -1.91 0.00 0.00 174.94 172.88 1xfu s THR 463 N -3.92 4.83 0.25 4.00 2.01 0.13 -4.94 115.64 118.01 1xfu s THR 463 Ca 0.34 1.31 -0.04 0.00 0.31 0.00 0.00 61.69 63.61 1xfu s THR 463 Cb 0.04 -3.96 0.25 0.00 0.01 0.00 0.00 72.50 68.84 1xfu s THR 463 CO 0.14 0.44 1.67 -0.37 -0.69 0.00 0.00 174.62 175.81 1xfu h VAL 464 N 4.00 0.46 0.00 3.82 -1.51 -1.94 1.27 116.25 122.34 1xfu h VAL 464 Ca -0.46 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1xfu h VAL 464 Cb 1.20 0.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1xfu h VAL 464 CO 0.69 0.04 -0.00 -0.07 -1.23 0.00 0.00 177.57 177.00 1xfu h LEU 465 N 0.24 0.00 0.00 4.19 4.07 -1.93 -3.45 115.31 118.42 1xfu h LEU 465 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1xfu h LEU 465 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1xfu h LEU 465 CO -0.55 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.42 1xfu n GLY 466 N -1.06 1.34 3.48 0.83 0.00 0.43 -5.13 105.19 105.08 1xfu n GLY 466 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1xfu n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xfu s GLU 467 N -0.22 1.78 -0.16 1.61 2.02 -1.17 -4.87 118.70 117.69 1xfu s GLU 467 Ca 0.00 -1.18 -0.04 0.00 0.02 0.00 0.00 54.97 53.77 1xfu s GLU 467 Cb 0.00 -2.11 0.07 0.00 0.10 0.00 0.00 34.13 32.19 1xfu s GLU 467 CO 0.00 0.48 0.15 0.21 0.02 0.00 0.00 175.26 176.13 1xfu s LYS 468 N -2.10 0.10 0.04 1.61 2.20 -1.26 0.22 119.74 120.56 1xfu s LYS 468 Ca 0.18 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1xfu s LYS 468 Cb -0.11 -1.23 -0.03 0.00 -1.51 0.00 0.00 37.83 34.96 1xfu s LYS 468 CO 0.10 -0.58 -0.04 -0.59 -0.36 0.00 0.00 175.35 173.87 1xfu s PHE 469 N 2.24 0.45 0.67 4.03 -0.12 -1.26 -4.97 117.98 119.02 1xfu s PHE 469 Ca 0.04 -0.70 -0.07 0.00 -0.05 0.00 0.00 56.93 56.15 1xfu s PHE 469 Cb -0.15 -0.31 0.04 0.00 -0.63 0.00 0.00 43.02 41.98 1xfu s PHE 469 CO -0.09 -0.22 0.99 -0.80 -0.05 0.00 0.00 175.22 175.04 1xfu s ASN 470 N -2.01 5.05 -0.25 1.98 0.01 -1.26 -0.21 114.94 118.25 1xfu s ASN 470 Ca -0.06 0.55 -0.22 0.00 -0.71 0.00 0.00 52.86 52.41 1xfu s ASN 470 Cb -0.04 -1.30 -0.10 0.00 0.41 0.00 0.00 41.25 40.23 1xfu s ASN 470 CO -0.04 -1.44 1.06 0.79 -1.51 0.00 0.00 177.10 175.96 1xfu n TRP 471 N -2.83 0.60 -4.15 2.20 7.02 -1.24 -4.72 117.44 114.32 1xfu n TRP 471 Ca 0.07 0.40 -0.17 0.00 -1.02 0.00 0.00 57.50 56.78 1xfu n TRP 471 Cb 0.60 -1.15 -0.12 0.00 -2.42 0.00 0.00 31.31 28.22 1xfu n TRP 471 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1xfu s ARG 472 N 2.92 0.76 0.68 -0.99 0.52 -0.43 -4.95 118.95 117.47 1xfu s ARG 472 Ca 0.60 -0.93 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 1xfu s ARG 472 Cb -0.75 -0.70 0.01 0.00 0.52 0.00 0.00 34.95 34.03 1xfu s ARG 472 CO 0.34 0.15 1.09 -0.80 0.02 0.00 0.00 175.30 176.09 1xfu s ASN 473 N -1.76 5.11 -0.43 0.23 -0.87 -1.26 -1.36 114.94 114.60 1xfu s ASN 473 Ca -0.03 1.87 -0.18 0.00 -1.57 0.00 0.00 52.86 52.95 1xfu s ASN 473 Cb -0.10 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.63 1xfu s ASN 473 CO 0.02 -1.63 0.46 -0.63 -2.57 0.00 0.00 177.10 172.76 1xfu s ILE 474 N -2.60 5.06 0.25 0.60 1.01 -0.17 -4.81 121.20 120.54 1xfu s ILE 474 Ca 0.64 -0.35 -0.05 0.00 0.00 0.00 0.00 60.65 60.89 1xfu s ILE 474 Cb -0.18 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1xfu s ILE 474 CO 0.46 -0.47 0.51 -1.61 0.00 0.00 0.00 174.94 173.83 1xfu s GLU 475 N 2.21 3.64 0.20 2.79 8.01 -1.26 0.14 118.70 134.42 1xfu s GLU 475 Ca 0.13 -0.02 0.03 0.00 0.01 0.00 0.00 54.97 55.12 1xfu s GLU 475 Cb -0.17 -2.69 -0.05 0.00 -4.31 0.00 0.00 34.13 26.91 1xfu s GLU 475 CO 0.14 0.28 -0.03 0.14 0.01 0.00 0.00 175.26 175.80 1xfu s VAL 476 N -1.97 1.00 0.39 2.63 -7.23 0.13 -2.24 120.40 113.09 1xfu s VAL 476 Ca 0.43 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 58.33 1xfu s VAL 476 Cb -0.11 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 1xfu s VAL 476 CO 0.28 -0.46 1.06 -0.04 -0.31 0.00 0.00 175.10 175.63 1xfu s MET 477 N -3.84 4.21 -0.16 4.82 1.00 -0.94 -1.13 119.30 123.25 1xfu s MET 477 Ca 0.24 1.56 -0.13 0.00 0.00 0.00 0.00 55.69 57.37 1xfu s MET 477 Cb 0.05 -2.63 0.05 0.00 0.00 0.00 0.00 34.83 32.30 1xfu s MET 477 CO 0.06 -0.11 0.42 0.00 0.00 0.00 0.00 175.02 175.39 1xfu s ALA 478 N -1.58 -1.05 0.30 3.03 0.00 0.12 -0.02 121.76 122.56 1xfu s ALA 478 Ca 0.56 1.28 0.06 0.00 0.00 0.00 0.00 51.96 53.86 1xfu s ALA 478 Cb -0.24 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1xfu s ALA 478 CO 0.30 -0.22 0.43 -1.59 0.00 0.00 0.00 175.76 174.68 1xfu s LYS 479 N 0.51 3.24 0.51 0.00 -2.85 -0.51 -1.50 119.74 119.14 1xfu s LYS 479 Ca -0.02 -0.92 -0.21 0.00 -1.00 0.00 0.00 55.97 53.82 1xfu s LYS 479 Cb -0.04 -2.84 -0.06 0.00 -2.06 0.00 0.00 37.83 32.82 1xfu s LYS 479 CO -0.03 0.19 1.19 1.21 0.10 0.00 0.00 175.35 178.01 1xfu s ASN 480 N -4.10 5.77 -0.43 0.03 2.47 0.45 -1.84 114.94 117.29 1xfu s ASN 480 Ca 0.41 2.34 0.07 0.00 0.42 0.00 0.00 52.86 56.10 1xfu s ASN 480 Cb -0.09 -2.60 0.18 0.00 -1.45 0.00 0.00 41.25 37.28 1xfu s ASN 480 CO 0.30 -1.19 0.60 -0.69 -3.72 0.00 0.00 177.10 172.41 1xfu s VAL 481 N -1.58 -0.85 -0.84 -5.21 1.01 -1.22 -4.88 120.40 106.84 1xfu s VAL 481 Ca 0.69 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1xfu s VAL 481 Cb -0.29 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 35.94 1xfu s VAL 481 CO 0.34 -0.14 0.73 -0.62 0.00 0.00 0.00 175.10 175.41 1xfu n GLU 482 N 3.98 -4.88 -3.15 2.72 -0.58 -1.26 -3.51 120.64 113.96 1xfu n GLU 482 Ca 0.13 0.54 -0.14 0.00 -0.42 0.00 0.00 57.16 57.28 1xfu n GLU 482 Cb 0.55 -4.68 0.07 0.00 -0.57 0.00 0.00 31.44 26.80 1xfu n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfu n GLY 483 N -1.35 -0.20 3.15 0.62 0.00 -1.26 -5.03 105.19 101.12 1xfu n GLY 483 Ca -0.05 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1xfu n GLY 483 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xfu s VAL 484 N -3.29 -0.91 -0.85 1.61 -7.23 -1.23 -5.09 120.40 103.41 1xfu s VAL 484 Ca 0.01 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 59.99 1xfu s VAL 484 Cb -0.01 -0.93 -0.21 0.00 0.56 0.00 0.00 36.38 35.79 1xfu s VAL 484 CO 0.58 0.00 2.25 0.18 -0.31 0.00 0.00 175.10 177.80 1xfu n LEU 485 N 5.39 0.46 -4.82 1.32 4.32 -1.26 -3.37 117.00 119.04 1xfu n LEU 485 Ca 0.04 -1.22 -0.38 0.00 -0.02 0.00 0.00 56.01 54.43 1xfu n LEU 485 Cb 0.54 -1.23 -0.06 0.00 -1.62 0.00 0.00 43.42 41.05 1xfu n LEU 485 CO -0.06 -2.24 0.24 -0.54 -1.22 0.00 0.00 177.39 173.57 1xfu s LYS 486 N 8.06 4.11 0.84 3.23 1.02 -0.77 -4.85 119.74 131.39 1xfu s LYS 486 Ca 1.02 0.64 -0.12 0.00 0.02 0.00 0.00 55.97 57.53 1xfu s LYS 486 Cb -0.37 -3.16 0.10 0.00 -0.52 0.00 0.00 37.83 33.88 1xfu s LYS 486 CO 0.26 0.61 1.19 -1.25 -0.92 0.00 0.00 175.35 175.24 1xfu s PRO 487 N -1.30 1.41 -0.01 -1.68 0.04 -1.26 -1.42 135.00 130.77 1xfu s PRO 487 Ca 0.30 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1xfu s PRO 487 Cb -0.18 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1xfu s PRO 487 CO 0.18 -2.37 -0.15 -0.51 0.04 0.00 0.00 177.00 174.19 1xfu s LEU 488 N -6.00 2.72 0.17 -3.56 1.43 0.98 -2.71 118.68 111.71 1xfu s LEU 488 Ca 0.71 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1xfu s LEU 488 Cb -0.27 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1xfu s LEU 488 CO 0.53 0.31 0.09 0.28 0.23 0.00 0.00 176.35 177.79 1xfu s THR 489 N -0.82 0.10 0.50 5.49 -1.32 -0.86 -3.21 115.64 115.52 1xfu s THR 489 Ca 0.13 -1.96 -0.18 0.00 -1.21 0.00 0.00 61.69 58.47 1xfu s THR 489 Cb -0.11 -2.29 -0.15 0.00 -1.51 0.00 0.00 72.50 68.44 1xfu s THR 489 CO 0.03 -0.22 -0.07 0.00 -2.21 0.00 0.00 174.62 172.15 1xfu n ALA 490 N -0.20 -2.92 -2.61 11.08 0.00 -1.26 -1.07 120.51 123.52 1xfu n ALA 490 Ca -0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 1xfu n ALA 490 Cb 0.65 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 1xfu n ALA 490 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1xfu s ASP 491 N -1.01 4.37 -0.85 0.00 3.84 -1.26 -4.53 116.67 117.22 1xfu s ASP 491 Ca 0.58 -1.52 -0.19 0.00 -0.00 0.00 0.00 52.55 51.42 1xfu s ASP 491 Cb -0.50 0.62 0.13 0.00 -1.38 0.00 0.00 42.92 41.79 1xfu s ASP 491 CO 0.65 -1.03 1.02 -0.31 -0.00 0.00 0.00 175.17 175.49 1xfu s TYR 492 N -2.86 3.13 -0.68 2.11 2.02 0.80 -4.81 117.35 117.06 1xfu s TYR 492 Ca 0.15 -1.32 -0.27 0.00 -0.37 0.00 0.00 57.07 55.26 1xfu s TYR 492 Cb -0.01 -4.20 0.03 0.00 -0.40 0.00 0.00 41.96 37.39 1xfu s TYR 492 CO 0.09 -1.43 1.21 -0.51 -1.57 0.00 0.00 175.55 173.35 1xfu s ASP 493 N 3.46 6.24 0.31 2.29 -0.00 -1.26 -4.54 116.67 123.17 1xfu s ASP 493 Ca 0.27 -0.35 -0.29 0.00 -0.00 0.00 0.00 52.55 52.18 1xfu s ASP 493 Cb -0.09 -2.54 -0.11 0.00 -0.00 0.00 0.00 42.92 40.18 1xfu s ASP 493 CO -0.05 -1.68 1.54 -0.76 -0.00 0.00 0.00 175.17 174.21 1xfu s LEU 494 N 5.30 4.34 -0.01 1.23 1.43 -1.26 -1.55 118.68 128.16 1xfu s LEU 494 Ca 0.36 2.94 0.13 0.00 -1.03 0.00 0.00 54.13 56.53 1xfu s LEU 494 Cb -0.09 -3.64 -0.20 0.00 0.03 0.00 0.00 46.19 42.28 1xfu s LEU 494 CO 0.17 -0.87 0.73 0.15 0.23 0.00 0.00 176.35 176.77 1xfu h PHE 495 N 4.29 0.00 -1.42 0.29 3.04 0.14 -2.30 116.94 120.99 1xfu h PHE 495 Ca -0.48 0.00 0.24 0.00 3.98 0.00 0.00 57.97 61.71 1xfu h PHE 495 Cb 1.23 0.00 -0.20 0.00 2.56 0.00 0.00 35.95 39.53 1xfu h PHE 495 CO 0.57 0.89 0.81 0.00 -2.02 0.00 0.00 178.31 178.56 1xfu s ALA 496 N -2.69 -2.07 -0.12 2.41 0.00 -0.99 -3.75 121.76 114.56 1xfu s ALA 496 Ca -0.04 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1xfu s ALA 496 Cb 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1xfu s ALA 496 CO 0.82 -0.53 -0.11 -0.51 0.00 0.00 0.00 175.76 175.43 1xfu s LEU 497 N -1.95 1.45 -0.80 0.00 1.43 -1.26 -1.45 118.68 116.10 1xfu s LEU 497 Ca 0.09 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1xfu s LEU 497 Cb -0.01 -0.96 0.20 0.00 0.03 0.00 0.00 46.19 45.45 1xfu s LEU 497 CO -0.05 -0.06 0.65 0.00 0.23 0.00 0.00 176.35 177.12 1xfu s ALA 498 N 1.42 4.03 0.52 4.21 0.00 -0.04 -4.86 121.76 127.04 1xfu s ALA 498 Ca 0.01 -3.71 -0.19 0.00 0.00 0.00 0.00 51.96 48.06 1xfu s ALA 498 Cb -0.13 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 20.24 1xfu s ALA 498 CO -0.06 -2.13 1.06 -1.25 0.00 0.00 0.00 175.76 173.38 1xfu s PRO 499 N -1.09 3.59 0.40 0.00 0.04 -1.26 -0.38 135.00 136.30 1xfu s PRO 499 Ca 0.25 1.39 -0.23 0.00 0.04 0.00 0.00 61.00 62.45 1xfu s PRO 499 Cb -0.10 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1xfu s PRO 499 CO -0.11 -0.62 1.00 -1.54 0.04 0.00 0.00 177.00 175.77 1xfu s SER 500 N -2.09 6.91 0.34 6.66 1.04 -0.33 -1.70 113.70 124.53 1xfu s SER 500 Ca 0.68 1.89 0.11 0.00 0.48 0.00 0.00 55.95 59.11 1xfu s SER 500 Cb -0.18 -2.57 0.90 0.00 0.10 0.00 0.00 66.02 64.27 1xfu s SER 500 CO 0.25 -0.38 1.78 -0.07 0.98 0.00 0.00 173.24 175.79 1xfu h LEU 501 N 2.42 0.63 -1.40 2.42 3.38 -1.69 0.41 115.31 121.48 1xfu h LEU 501 Ca -0.48 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1xfu h LEU 501 Cb 1.20 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1xfu h LEU 501 CO 0.62 0.18 0.24 0.71 0.09 0.00 0.00 178.44 180.29 1xfu h THR 502 N 0.59 1.15 0.00 0.22 1.35 -1.91 -1.12 112.91 113.19 1xfu h THR 502 Ca 0.58 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 66.00 1xfu h THR 502 Cb 1.15 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1xfu h THR 502 CO -0.35 0.17 -0.14 -0.08 -0.25 0.00 0.00 175.52 174.87 1xfu h GLU 503 N 0.66 0.00 0.04 4.72 4.57 -0.49 -2.62 114.58 121.46 1xfu h GLU 503 Ca 0.17 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.12 1xfu h GLU 503 Cb 0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1xfu h GLU 503 CO -0.03 0.14 -1.06 0.82 -1.18 0.00 0.00 179.01 177.71 1xfu h ILE 504 N 0.00 1.64 -0.39 2.32 5.03 -1.00 -3.09 117.51 122.03 1xfu h ILE 504 Ca -0.00 -3.28 -0.01 0.00 -0.12 0.00 0.00 64.86 61.45 1xfu h ILE 504 Cb 0.57 2.85 -0.02 0.00 -3.03 0.00 0.00 36.82 37.19 1xfu h ILE 504 CO 0.02 0.94 0.20 0.50 -0.68 0.00 0.00 178.15 179.13 1xfu h LYS 505 N 0.03 0.53 0.00 2.37 1.63 -1.15 0.27 116.57 120.25 1xfu h LYS 505 Ca -0.05 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.66 1xfu h LYS 505 Cb 1.81 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 33.32 1xfu h LYS 505 CO 0.15 0.40 -0.19 0.87 -3.45 0.00 0.00 179.45 177.24 1xfu h LYS 506 N 0.54 0.00 -0.00 1.90 1.57 -1.50 -2.12 116.57 116.95 1xfu h LYS 506 Ca 0.14 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1xfu h LYS 506 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1xfu h LYS 506 CO -0.02 0.19 -0.67 0.37 -0.57 0.00 0.00 179.45 178.75 1xfu h GLN 507 N 0.00 0.01 -6.75 3.15 5.75 -0.40 -3.44 115.11 113.43 1xfu h GLN 507 Ca -0.00 -0.01 -0.49 0.00 -0.15 0.00 0.00 58.65 57.99 1xfu h GLN 507 Cb 0.65 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1xfu h GLN 507 CO 0.02 0.68 0.36 0.42 -2.65 0.00 0.00 178.83 177.66 1xfu s ILE 508 N -3.50 4.04 -0.58 2.39 1.01 -0.80 -5.01 121.20 118.75 1xfu s ILE 508 Ca -0.01 2.04 -0.28 0.00 0.00 0.00 0.00 60.65 62.40 1xfu s ILE 508 Cb 0.12 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.33 1xfu s ILE 508 CO 0.77 0.48 1.17 -2.16 0.00 0.00 0.00 174.94 175.20 1xfu s PRO 509 N -1.15 3.51 0.03 2.79 0.04 -1.26 -4.94 135.00 134.02 1xfu s PRO 509 Ca 0.42 0.22 -0.00 0.00 0.04 0.00 0.00 61.00 61.67 1xfu s PRO 509 Cb -0.26 -4.01 0.07 0.00 0.04 0.00 0.00 34.50 30.33 1xfu s PRO 509 CO 0.33 -1.66 0.15 1.04 0.04 0.00 0.00 177.00 176.90 1xfu n GLN 510 N 8.35 -0.01 0.11 4.56 1.13 -1.26 -0.09 117.38 130.16 1xfu n GLN 510 Ca 0.08 0.15 -0.13 0.00 -1.94 0.00 0.00 57.00 55.16 1xfu n GLN 510 Cb 0.49 -0.23 -0.07 0.00 0.11 0.00 0.00 30.24 30.54 1xfu n GLN 510 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1xfu h LYS 511 N 0.00 -0.22 0.42 -1.09 2.10 -1.99 -1.63 116.57 114.16 1xfu h LYS 511 Ca 0.06 0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1xfu h LYS 511 Cb 0.11 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.46 1xfu h LYS 511 CO -0.09 -0.15 -0.49 0.93 -2.00 0.00 0.00 179.45 177.65 1xfu h GLU 512 N -0.23 -0.90 -0.61 0.07 5.08 -0.91 0.57 114.58 117.66 1xfu h GLU 512 Ca -0.01 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 1xfu h GLU 512 Cb 0.20 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.55 1xfu h GLU 512 CO 0.00 -0.60 0.02 2.35 -1.00 0.00 0.00 179.01 179.78 1xfu h TRP 513 N -0.93 -0.01 0.19 4.33 7.01 -1.59 -1.26 115.95 123.69 1xfu h TRP 513 Ca -0.05 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1xfu h TRP 513 Cb 0.83 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.97 1xfu h TRP 513 CO -0.28 -0.15 -0.33 -0.44 -2.79 0.00 0.00 178.44 174.45 1xfu h ASP 514 N 0.13 -0.96 0.00 2.65 3.45 -0.83 0.51 116.42 121.38 1xfu h ASP 514 Ca 0.32 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.87 1xfu h ASP 514 Cb 0.51 0.34 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 1xfu h ASP 514 CO -0.51 -0.39 0.58 0.50 -1.57 0.00 0.00 179.24 177.86 1xfu h LYS 515 N -0.56 0.00 0.02 3.56 3.64 0.24 -0.17 116.57 123.29 1xfu h LYS 515 Ca -0.02 0.00 -0.40 0.00 -1.27 0.00 0.00 60.65 58.96 1xfu h LYS 515 Cb 0.52 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1xfu h LYS 515 CO -0.12 0.00 -2.36 0.28 -2.27 0.00 0.00 179.45 174.98 1xfu n VAL 516 N -2.00 1.54 0.18 2.00 0.31 0.05 -4.49 118.33 115.93 1xfu n VAL 516 Ca -0.00 -0.49 0.06 0.00 -0.01 0.00 0.00 64.34 63.90 1xfu n VAL 516 Cb 0.59 -1.65 0.29 0.00 -0.91 0.00 0.00 33.84 32.17 1xfu n VAL 516 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 1xfu h VAL 517 N -0.37 0.81 -0.23 2.52 -1.51 0.20 -3.29 116.25 114.37 1xfu h VAL 517 Ca -0.59 -1.60 -0.66 0.00 -1.23 0.00 0.00 66.70 62.62 1xfu h VAL 517 Cb 1.79 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 32.95 1xfu h VAL 517 CO -0.18 0.37 3.40 0.59 -1.23 0.00 0.00 177.57 180.51 1xfu n ASN 518 N -3.43 8.50 -4.36 4.19 5.03 -0.66 -4.84 115.26 119.67 1xfu n ASN 518 Ca 0.00 -2.68 -0.19 0.00 0.87 0.00 0.00 54.58 52.58 1xfu n ASN 518 Cb 0.54 -1.51 -0.10 0.00 -1.02 0.00 0.00 39.78 37.69 1xfu n ASN 518 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1xfu s THR 519 N 1.44 1.78 -0.12 3.41 -1.32 -1.24 -4.96 115.64 114.63 1xfu s THR 519 Ca 0.67 -2.22 -0.11 0.00 -1.21 0.00 0.00 61.69 58.82 1xfu s THR 519 Cb 0.19 -2.11 -0.26 0.00 -1.51 0.00 0.00 72.50 68.81 1xfu s THR 519 CO -0.07 -0.55 0.41 1.55 -2.21 0.00 0.00 174.62 173.75 1xfu h PRO 520 N 2.51 0.25 -6.01 7.08 0.13 -1.92 -3.45 132.00 130.57 1xfu h PRO 520 Ca -0.38 -0.42 -0.51 0.00 -0.87 0.00 0.00 66.00 63.82 1xfu h PRO 520 Cb 1.23 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.48 1xfu h PRO 520 CO 0.62 1.20 1.34 1.21 -0.23 0.00 0.00 178.00 182.14 1xfu s ASN 521 N -7.05 5.35 0.42 1.44 3.84 -1.26 -4.84 114.94 112.83 1xfu s ASN 521 Ca -0.22 0.38 0.22 0.00 0.21 0.00 0.00 52.86 53.44 1xfu s ASN 521 Cb 0.06 -2.53 1.19 0.00 -0.55 0.00 0.00 41.25 39.42 1xfu s ASN 521 CO 0.76 -2.31 1.76 0.28 -2.79 0.00 0.00 177.10 174.79 1xfu h SER 522 N 14.64 0.37 0.19 -4.21 0.02 -2.00 0.23 113.55 122.79 1xfu h SER 522 Ca -0.26 0.08 -0.35 0.00 -0.84 0.00 0.00 61.79 60.42 1xfu h SER 522 Cb 1.16 0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.74 1xfu h SER 522 CO 1.21 0.04 -1.70 0.25 -1.14 0.00 0.00 176.83 175.49 1xfu h LEU 523 N 0.31 0.64 -1.41 5.07 5.85 -2.00 -3.24 115.31 120.54 1xfu h LEU 523 Ca 0.62 -0.94 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1xfu h LEU 523 Cb 1.71 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 1xfu h LEU 523 CO -0.28 1.78 0.11 -0.08 -0.34 0.00 0.00 178.44 179.62 1xfu h GLU 524 N 0.09 0.50 0.14 1.25 4.81 -1.65 -2.00 114.58 117.73 1xfu h GLU 524 Ca -0.33 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1xfu h GLU 524 Cb 2.09 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 31.34 1xfu h GLU 524 CO 0.19 0.45 -0.51 -0.22 -0.73 0.00 0.00 179.01 178.19 1xfu h LYS 525 N 0.50 -0.72 -0.52 1.92 3.64 -0.67 1.69 116.57 122.40 1xfu h LYS 525 Ca 0.12 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1xfu h LYS 525 Cb 0.16 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.04 1xfu h LYS 525 CO -0.01 -0.48 -0.16 0.37 -2.27 0.00 0.00 179.45 176.90 1xfu h GLN 526 N -0.75 -0.03 0.62 1.90 4.15 -1.46 0.32 115.11 119.85 1xfu h GLN 526 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1xfu h GLN 526 Cb 0.76 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1xfu h GLN 526 CO -0.27 -0.02 -0.44 -0.22 -1.93 0.00 0.00 178.83 175.95 1xfu h LYS 527 N -0.03 -0.98 -1.21 1.69 3.64 -0.48 0.21 116.57 119.40 1xfu h LYS 527 Ca 0.25 0.07 0.35 0.00 -1.27 0.00 0.00 60.65 60.05 1xfu h LYS 527 Cb 0.41 0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.37 1xfu h LYS 527 CO -0.55 -0.65 0.82 0.78 -2.27 0.00 0.00 179.45 177.57 1xfu h GLY 528 N -1.02 0.79 0.23 5.01 0.00 0.40 -1.26 103.07 107.22 1xfu h GLY 528 Ca -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1xfu h GLY 528 CO 0.03 -0.15 -0.09 -2.08 0.00 0.00 0.00 176.54 174.26 1xfu h VAL 529 N 0.18 0.31 -0.77 4.60 2.07 0.70 -2.91 116.25 120.43 1xfu h VAL 529 Ca 0.66 -0.98 0.18 0.00 0.82 0.00 0.00 66.70 67.38 1xfu h VAL 529 Cb 2.14 0.55 -0.12 0.00 -1.52 0.00 0.00 31.29 32.34 1xfu h VAL 529 CO -0.22 0.09 0.17 0.74 0.02 0.00 0.00 177.57 178.37 1xfu h THR 530 N -1.02 0.44 -0.92 2.57 2.02 0.21 0.80 112.91 117.00 1xfu h THR 530 Ca -0.03 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1xfu h THR 530 Cb 0.34 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1xfu h THR 530 CO 0.04 0.04 0.53 0.78 0.37 0.00 0.00 175.52 177.28 1xfu h ASN 531 N 0.23 1.13 -0.16 4.18 2.35 -1.38 0.72 115.58 122.65 1xfu h ASN 531 Ca 0.45 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1xfu h ASN 531 Cb 0.81 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1xfu h ASN 531 CO -0.57 0.89 0.10 -0.07 -1.65 0.00 0.00 177.43 176.13 1xfu h LEU 532 N 1.28 0.19 -1.54 1.61 3.38 0.59 1.61 115.31 122.43 1xfu h LEU 532 Ca 0.33 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1xfu h LEU 532 Cb -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xfu h LEU 532 CO -0.06 0.15 -0.24 0.25 0.09 0.00 0.00 178.44 178.64 1xfu h LEU 533 N 0.21 0.00 0.18 1.67 7.12 0.23 -0.44 115.31 124.27 1xfu h LEU 533 Ca 0.06 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 1xfu h LEU 533 Cb -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1xfu h LEU 533 CO -0.01 0.24 -0.09 0.40 -0.13 0.00 0.00 178.44 178.85 1xfu h ILE 534 N 0.00 0.39 -0.07 4.05 2.04 0.14 -2.69 117.51 121.38 1xfu h ILE 534 Ca -0.00 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1xfu h ILE 534 Cb 0.49 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1xfu h ILE 534 CO 0.03 0.11 -0.13 0.50 0.00 0.00 0.00 178.15 178.67 1xfu h LYS 535 N -1.01 -0.11 -0.09 2.37 3.11 0.25 -0.41 116.57 120.69 1xfu h LYS 535 Ca -0.02 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1xfu h LYS 535 Cb 0.37 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1xfu h LYS 535 CO 0.04 -0.07 0.00 0.66 -2.81 0.00 0.00 179.45 177.27 1xfu n TYR 536 N -3.28 0.11 0.00 1.91 4.01 -0.19 -4.20 117.16 115.52 1xfu n TYR 536 Ca -0.01 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1xfu n TYR 536 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1xfu n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xfu n GLY 537 N 0.78 0.01 0.04 2.72 0.00 -1.03 -4.84 105.19 102.87 1xfu n GLY 537 Ca 0.09 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1xfu n GLY 537 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xfu n ILE 538 N -0.73 0.44 -2.31 -0.61 5.41 -0.40 -5.00 119.36 116.16 1xfu n ILE 538 Ca 0.00 -0.56 -0.41 0.00 1.00 0.00 0.00 62.75 62.78 1xfu n ILE 538 Cb 0.00 -0.15 -0.03 0.00 -0.71 0.00 0.00 39.64 38.75 1xfu n ILE 538 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xfu s GLU 539 N -3.03 4.46 -0.20 0.38 2.12 -0.30 -5.01 118.70 117.13 1xfu s GLU 539 Ca -0.08 1.95 0.01 0.00 0.36 0.00 0.00 54.97 57.21 1xfu s GLU 539 Cb 0.10 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.33 1xfu s GLU 539 CO 0.79 -0.12 -0.08 1.03 -0.54 0.00 0.00 175.26 176.33 1xfu s ARG 540 N -0.42 1.81 0.18 4.30 0.52 -1.26 -4.41 118.95 119.68 1xfu s ARG 540 Ca 0.53 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 1xfu s ARG 540 Cb -0.34 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 1xfu s ARG 540 CO 0.39 -0.47 0.28 0.15 0.02 0.00 0.00 175.30 175.66 1xfu s LYS 541 N 1.45 3.33 0.41 3.54 -0.14 -1.21 -4.84 119.74 122.27 1xfu s LYS 541 Ca -0.02 -0.71 -0.13 0.00 -1.36 0.00 0.00 55.97 53.76 1xfu s LYS 541 Cb -0.17 -2.87 -0.07 0.00 -1.68 0.00 0.00 37.83 33.04 1xfu s LYS 541 CO -0.08 0.49 0.81 -1.25 -0.76 0.00 0.00 175.35 174.56 1xfu s PRO 542 N -3.44 3.87 0.02 -1.68 0.04 -1.26 -2.63 135.00 129.92 1xfu s PRO 542 Ca 0.34 0.61 0.05 0.00 0.04 0.00 0.00 61.00 62.04 1xfu s PRO 542 Cb -0.10 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1xfu s PRO 542 CO 0.28 -0.04 -0.16 0.34 0.04 0.00 0.00 177.00 177.46 1xfu s ASP 543 N -2.94 1.88 0.22 6.66 -1.08 0.39 -4.94 116.67 116.86 1xfu s ASP 543 Ca 0.53 -0.42 -0.09 0.00 -0.52 0.00 0.00 52.55 52.06 1xfu s ASP 543 Cb -0.10 -0.16 0.21 0.00 -1.46 0.00 0.00 42.92 41.41 1xfu s ASP 543 CO 0.28 0.11 1.88 0.77 0.52 0.00 0.00 175.17 178.73 1xfu h SER 544 N 5.17 0.89 0.00 -0.34 4.64 -1.98 -3.24 113.55 118.68 1xfu h SER 544 Ca -0.38 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1xfu h SER 544 Cb 1.17 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1xfu h SER 544 CO 0.45 0.63 -0.15 0.71 -0.87 0.00 0.00 176.83 177.60 1xfu h THR 545 N 1.04 0.00 -0.60 2.95 1.35 -2.00 -3.42 112.91 112.23 1xfu h THR 545 Ca 0.31 -0.69 -0.37 0.00 -0.55 0.00 0.00 66.41 65.11 1xfu h THR 545 Cb -0.06 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 66.18 1xfu h THR 545 CO -0.09 0.00 0.48 0.29 -0.25 0.00 0.00 175.52 175.95 1xfu n LYS 546 N -3.91 1.91 0.00 4.72 5.02 -1.26 -4.89 118.16 119.76 1xfu n LYS 546 Ca -0.02 -1.92 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1xfu n LYS 546 Cb 0.08 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1xfu n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfu n GLY 547 N -0.17 0.89 3.58 0.72 0.00 -1.22 -2.35 105.19 106.63 1xfu n GLY 547 Ca 0.37 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1xfu n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfu s THR 548 N 0.00 4.49 0.05 2.61 2.01 -1.26 -0.46 115.64 123.08 1xfu s THR 548 Ca 0.00 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 1xfu s THR 548 Cb 0.00 -3.02 0.09 0.00 0.01 0.00 0.00 72.50 69.58 1xfu s THR 548 CO 0.00 0.46 0.89 -1.48 -0.69 0.00 0.00 174.62 173.80 1xfu s LEU 549 N 0.51 -0.32 1.09 4.42 2.34 -1.08 -4.36 118.68 121.27 1xfu s LEU 549 Ca 0.01 -0.11 -0.17 0.00 0.06 0.00 0.00 54.13 53.92 1xfu s LEU 549 Cb -0.13 2.09 0.24 0.00 -0.56 0.00 0.00 46.19 47.83 1xfu s LEU 549 CO 0.01 -0.72 1.16 -0.55 -1.06 0.00 0.00 176.35 175.19 1xfu s SER 550 N -2.63 1.91 -0.11 1.48 0.15 -1.26 -3.30 113.70 109.94 1xfu s SER 550 Ca 0.07 0.66 -0.27 0.00 0.70 0.00 0.00 55.95 57.10 1xfu s SER 550 Cb -0.01 -0.95 -0.27 0.00 -1.71 0.00 0.00 66.02 63.08 1xfu s SER 550 CO -0.06 -3.52 0.82 0.78 1.20 0.00 0.00 173.24 172.46 1xfu h ASN 551 N -2.17 0.12 -0.47 5.45 -0.26 -1.94 -3.06 115.58 113.25 1xfu h ASN 551 Ca -0.47 -0.98 -0.02 0.00 -0.56 0.00 0.00 56.30 54.27 1xfu h ASN 551 Cb 1.29 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 38.49 1xfu h ASN 551 CO 0.41 1.09 0.20 4.11 -1.06 0.00 0.00 177.43 182.18 1xfu h TRP 552 N -0.82 0.71 -1.28 1.19 5.08 -1.94 0.16 115.95 119.05 1xfu h TRP 552 Ca -0.04 -0.05 0.41 0.00 1.08 0.00 0.00 58.89 60.30 1xfu h TRP 552 Cb 1.15 -0.21 -0.12 0.00 -3.00 0.00 0.00 29.16 26.98 1xfu h TRP 552 CO 0.25 0.59 0.82 1.96 -1.28 0.00 0.00 178.44 180.79 1xfu h GLN 553 N 0.62 0.12 0.03 0.12 4.20 -1.94 0.52 115.11 118.79 1xfu h GLN 553 Ca 0.16 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xfu h GLN 553 Cb 0.17 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1xfu h GLN 553 CO -0.02 0.08 -0.02 -0.22 -0.67 0.00 0.00 178.83 177.99 1xfu h LYS 554 N 0.13 -0.04 -0.19 1.46 3.64 -0.66 -0.38 116.57 120.53 1xfu h LYS 554 Ca 0.79 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 60.22 1xfu h LYS 554 Cb 2.42 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 34.18 1xfu h LYS 554 CO -0.40 0.64 -0.32 -0.56 -2.27 0.00 0.00 179.45 176.55 1xfu h GLN 555 N -0.89 -0.35 -0.22 1.90 3.07 0.11 1.43 115.11 120.17 1xfu h GLN 555 Ca -0.00 0.02 0.06 0.00 0.09 0.00 0.00 58.65 58.82 1xfu h GLN 555 Cb 0.70 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.33 1xfu h GLN 555 CO 0.01 -0.23 0.21 1.98 0.09 0.00 0.00 178.83 180.89 1xfu h MET 556 N -0.36 0.00 -0.31 0.06 4.05 -0.24 -0.47 114.93 117.66 1xfu h MET 556 Ca 0.11 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.35 1xfu h MET 556 Cb 0.54 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1xfu h MET 556 CO -0.39 0.00 -0.51 1.25 0.23 0.00 0.00 176.91 177.49 1xfu h LEU 557 N 0.00 0.98 0.06 3.39 5.85 0.36 -2.32 115.31 123.63 1xfu h LEU 557 Ca 0.10 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1xfu h LEU 557 Cb 0.52 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1xfu h LEU 557 CO -0.00 1.31 -0.03 0.44 -0.34 0.00 0.00 178.44 179.82 1xfu h ASP 558 N 0.69 -0.06 -0.81 1.25 3.32 0.75 -2.99 116.42 118.58 1xfu h ASP 558 Ca 0.03 -0.46 0.23 0.00 0.02 0.00 0.00 57.03 56.85 1xfu h ASP 558 Cb 1.12 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1xfu h ASP 558 CO 0.12 0.45 0.66 0.03 -1.72 0.00 0.00 179.24 178.77 1xfu h ARG 559 N -0.60 0.00 0.29 3.56 2.47 -1.28 0.26 114.38 119.08 1xfu h ARG 559 Ca -0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1xfu h ARG 559 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1xfu h ARG 559 CO 0.01 0.00 -0.14 -0.07 0.56 0.00 0.00 179.97 180.33 1xfu h LEU 560 N 0.00 -0.33 0.20 3.04 3.38 -1.27 -2.12 115.31 118.21 1xfu h LEU 560 Ca 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1xfu h LEU 560 Cb 1.69 0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1xfu h LEU 560 CO -0.00 0.08 -0.10 0.78 0.09 0.00 0.00 178.44 179.29 1xfu h ASN 561 N -0.82 -0.23 -0.48 -0.43 2.35 -0.79 -1.73 115.58 113.45 1xfu h ASN 561 Ca -0.04 -0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.78 1xfu h ASN 561 Cb 0.51 0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.84 1xfu h ASN 561 CO 0.07 -0.13 -0.30 -0.08 -1.65 0.00 0.00 177.43 175.33 1xfu h GLU 562 N -0.31 -0.19 -0.79 0.81 4.81 -0.71 0.29 114.58 118.49 1xfu h GLU 562 Ca -0.03 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.38 1xfu h GLU 562 Cb 0.24 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.56 1xfu h GLU 562 CO 0.05 -0.12 0.31 0.00 -0.73 0.00 0.00 179.01 178.51 1xfu h ALA 563 N 0.94 1.14 -0.15 2.92 0.00 -1.05 0.47 119.26 123.54 1xfu h ALA 563 Ca 0.20 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xfu h ALA 563 Cb 0.53 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xfu h ALA 563 CO -0.59 -0.25 0.00 1.33 0.00 0.00 0.00 179.25 179.74 1xfu n VAL 564 N -5.03 0.25 -0.00 0.00 0.24 0.83 -3.37 118.33 111.25 1xfu n VAL 564 Ca 0.16 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1xfu n VAL 564 Cb 0.48 0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.89 1xfu n VAL 564 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1xfu n LYS 565 N -0.02 1.27 -0.22 7.34 4.81 0.14 -3.40 118.16 128.07 1xfu n LYS 565 Ca 0.05 -0.01 0.02 0.00 -0.87 0.00 0.00 58.31 57.51 1xfu n LYS 565 Cb 0.17 -1.03 0.11 0.00 0.02 0.00 0.00 35.03 34.30 1xfu n LYS 565 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xfu n TYR 566 N -1.70 0.52 -0.03 5.64 0.53 0.46 -3.19 117.16 119.39 1xfu n TYR 566 Ca -0.01 -0.19 -0.08 0.00 -1.02 0.00 0.00 57.90 56.60 1xfu n TYR 566 Cb 0.19 -0.17 -0.03 0.00 -1.03 0.00 0.00 39.34 38.31 1xfu n TYR 566 CO 0.00 0.00 0.00 -2.37 -1.02 0.00 0.00 176.86 173.47 1xfu n THR 567 N 0.16 0.98 0.00 -0.72 5.66 -1.25 -5.04 114.28 114.07 1xfu n THR 567 Ca 0.08 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1xfu n THR 567 Cb 0.44 -1.77 0.00 0.00 -1.55 0.00 0.00 70.33 67.45 1xfu n THR 567 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xfu n GLY 568 N 2.48 0.00 3.75 1.09 0.00 -1.19 -5.15 105.19 106.17 1xfu n GLY 568 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1xfu n GLY 568 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xfu s TYR 569 N 0.00 3.79 -0.09 1.61 5.04 -1.22 -4.96 117.35 121.52 1xfu s TYR 569 Ca 0.00 1.57 0.14 0.00 -2.44 0.00 0.00 57.07 56.34 1xfu s TYR 569 Cb 0.00 -2.85 0.21 0.00 0.35 0.00 0.00 41.96 39.67 1xfu s TYR 569 CO 0.00 0.32 1.10 0.25 -1.34 0.00 0.00 175.55 175.88 1xfu n THR 570 N 2.50 1.40 0.06 4.34 -2.24 -1.26 -4.68 114.28 114.40 1xfu n THR 570 Ca -0.02 -1.67 0.12 0.00 -2.27 0.00 0.00 64.05 60.20 1xfu n THR 570 Cb 0.50 -0.02 0.27 0.00 -2.10 0.00 0.00 70.33 68.98 1xfu n THR 570 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xfu n GLY 571 N -1.05 1.98 0.25 3.38 0.00 -1.23 -4.95 105.19 103.57 1xfu n GLY 571 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1xfu n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfu n GLY 572 N 1.56 0.95 3.69 -0.02 0.00 -1.26 -4.25 105.19 105.86 1xfu n GLY 572 Ca 0.21 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1xfu n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xfu s ASP 573 N -4.00 5.11 -0.00 1.61 -0.00 -1.26 -4.92 116.67 113.21 1xfu s ASP 573 Ca 0.00 -0.04 0.10 0.00 -0.00 0.00 0.00 52.55 52.61 1xfu s ASP 573 Cb 0.00 -1.31 -0.13 0.00 -0.00 0.00 0.00 42.92 41.48 1xfu s ASP 573 CO 0.00 0.26 0.36 0.55 -0.00 0.00 0.00 175.17 176.33 1xfu n VAL 574 N 1.22 0.00 -3.95 -1.27 3.14 -1.26 -4.24 118.33 111.97 1xfu n VAL 574 Ca -0.14 -0.25 -0.31 0.00 -2.96 0.00 0.00 64.34 60.68 1xfu n VAL 574 Cb 0.52 0.74 -0.15 0.00 -1.06 0.00 0.00 33.84 33.90 1xfu n VAL 574 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1xfu s VAL 575 N -2.21 1.79 -0.18 1.55 1.01 -1.26 -0.14 120.40 120.96 1xfu s VAL 575 Ca 0.01 -1.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.00 1xfu s VAL 575 Cb 0.07 -2.21 -0.17 0.00 0.00 0.00 0.00 36.38 34.07 1xfu s VAL 575 CO 0.42 -0.43 0.27 0.78 0.00 0.00 0.00 175.10 176.14 1xfu h ASN 576 N 7.81 0.00 -3.79 3.32 -0.26 -1.87 -3.48 115.58 117.31 1xfu h ASN 576 Ca -0.11 -0.51 -0.04 0.00 -0.56 0.00 0.00 56.30 55.08 1xfu h ASN 576 Cb 1.03 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.29 1xfu h ASN 576 CO 0.48 1.20 -0.01 0.00 -1.06 0.00 0.00 177.43 178.03 1xfu n HIS 577 N -4.52 -1.84 -1.27 1.19 1.44 -1.26 -4.62 115.22 104.34 1xfu n HIS 577 Ca -0.21 -0.15 -0.08 0.00 -2.01 0.00 0.00 57.72 55.26 1xfu n HIS 577 Cb 0.53 -0.03 0.06 0.00 0.12 0.00 0.00 29.99 30.66 1xfu n HIS 577 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xfu n GLY 578 N 4.55 -1.24 3.71 -1.39 0.00 -0.99 -4.82 105.19 105.02 1xfu n GLY 578 Ca 0.00 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1xfu n GLY 578 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xfu s THR 579 N -1.83 4.86 -0.12 2.61 -4.23 -1.26 -4.58 115.64 111.09 1xfu s THR 579 Ca 0.22 1.92 0.00 0.00 -1.18 0.00 0.00 61.69 62.65 1xfu s THR 579 Cb -0.01 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.58 1xfu s THR 579 CO 0.15 0.20 0.43 1.21 -0.54 0.00 0.00 174.62 176.07 1xfu n GLU 580 N 3.70 0.00 0.00 3.99 4.07 -0.86 0.49 120.64 132.03 1xfu n GLU 580 Ca 0.04 0.04 0.15 0.00 -0.06 0.00 0.00 57.16 57.32 1xfu n GLU 580 Cb 0.51 -1.84 0.80 0.00 -0.06 0.00 0.00 31.44 30.85 1xfu n GLU 580 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1xfu n GLN 581 N -0.93 0.65 0.00 5.31 1.13 -1.25 -2.61 117.38 119.69 1xfu n GLN 581 Ca 0.00 0.01 0.02 0.00 -1.94 0.00 0.00 57.00 55.09 1xfu n GLN 581 Cb 0.34 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1xfu n GLN 581 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xfu n ASP 582 N -1.15 0.90 -3.62 1.08 8.00 0.18 -3.22 116.55 118.71 1xfu n ASP 582 Ca 0.18 -0.95 -0.41 0.00 0.71 0.00 0.00 54.79 54.32 1xfu n ASP 582 Cb 0.17 0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 1xfu n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xfu n ASN 583 N -0.25 4.06 0.17 -2.24 5.15 -1.07 -4.54 115.26 116.54 1xfu n ASN 583 Ca 0.02 -2.74 0.01 0.00 -0.60 0.00 0.00 54.58 51.27 1xfu n ASN 583 Cb 0.08 -1.47 0.29 0.00 -0.53 0.00 0.00 39.78 38.16 1xfu n ASN 583 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1xfu h GLU 584 N 6.44 0.01 0.06 1.20 5.08 -1.86 -2.47 114.58 123.04 1xfu h GLU 584 Ca 0.56 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1xfu h GLU 584 Cb 0.58 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1xfu h GLU 584 CO 1.88 0.46 -0.03 0.93 -1.00 0.00 0.00 179.01 181.24 1xfu h GLU 585 N 0.01 -0.08 -1.79 2.33 5.08 -1.99 -3.40 114.58 114.74 1xfu h GLU 585 Ca -0.00 0.01 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 1xfu h GLU 585 Cb 0.80 0.02 -0.39 0.00 0.50 0.00 0.00 28.75 29.68 1xfu h GLU 585 CO 0.06 0.27 -0.36 1.19 -1.00 0.00 0.00 179.01 179.17 1xfu n PHE 586 N -4.79 3.46 -1.67 4.33 3.01 -1.25 -2.97 117.46 117.57 1xfu n PHE 586 Ca -0.04 -3.16 -0.38 0.00 1.01 0.00 0.00 57.45 54.88 1xfu n PHE 586 Cb 0.19 -0.39 0.05 0.00 -0.01 0.00 0.00 39.48 39.32 1xfu n PHE 586 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xfu n PRO 587 N -0.42 1.16 -4.11 -1.08 -0.04 -0.93 -5.00 135.00 124.57 1xfu n PRO 587 Ca 0.40 0.44 -0.15 0.00 -0.04 0.00 0.00 63.50 64.15 1xfu n PRO 587 Cb 0.52 -2.34 -0.12 0.00 -0.04 0.00 0.00 33.50 31.52 1xfu n PRO 587 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xfu s GLU 588 N -2.89 0.67 -0.34 0.54 2.02 -1.26 -4.97 118.70 112.47 1xfu s GLU 588 Ca 0.76 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 54.77 1xfu s GLU 588 Cb -0.42 -0.51 0.01 0.00 0.10 0.00 0.00 34.13 33.31 1xfu s GLU 588 CO 0.46 0.10 0.17 0.21 0.02 0.00 0.00 175.26 176.23 1xfu s LYS 589 N -1.77 3.08 -0.15 1.61 2.20 -1.26 -5.07 119.74 118.37 1xfu s LYS 589 Ca -0.05 -0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 54.63 1xfu s LYS 589 Cb -0.09 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1xfu s LYS 589 CO 0.01 -0.55 -0.06 -0.51 -0.36 0.00 0.00 175.35 173.87 1xfu s ASP 590 N 1.58 4.55 0.00 1.43 1.01 -1.26 -5.03 116.67 118.95 1xfu s ASP 590 Ca 0.03 -0.20 0.00 0.00 0.71 0.00 0.00 52.55 53.09 1xfu s ASP 590 Cb -0.18 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.02 1xfu s ASP 590 CO 0.06 0.16 0.87 0.59 0.21 0.00 0.00 175.17 177.06 1xfu n ASN 591 N 3.60 0.00 -4.72 0.27 3.02 -1.26 -4.58 115.26 111.59 1xfu n ASN 591 Ca -0.18 0.87 -0.42 0.00 -0.03 0.00 0.00 54.58 54.83 1xfu n ASN 591 Cb 0.52 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1xfu n ASN 591 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xfu s GLU 592 N -2.49 4.53 -0.09 3.52 2.02 -1.26 -3.89 118.70 121.04 1xfu s GLU 592 Ca 0.00 1.61 -0.01 0.00 0.02 0.00 0.00 54.97 56.59 1xfu s GLU 592 Cb 0.00 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.88 1xfu s GLU 592 CO 0.00 -0.08 -0.04 0.42 0.02 0.00 0.00 175.26 175.58 1xfu s ILE 593 N 0.73 0.72 0.01 -1.63 -1.09 -1.25 -4.45 121.20 114.23 1xfu s ILE 593 Ca 0.54 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.55 1xfu s ILE 593 Cb -0.26 -0.80 -0.03 0.00 -1.58 0.00 0.00 42.46 39.79 1xfu s ILE 593 CO 0.30 0.31 1.01 0.12 -1.23 0.00 0.00 174.94 175.45 1xfu s PHE 594 N 1.77 3.62 -0.00 3.97 5.36 -0.99 -2.09 117.98 129.62 1xfu s PHE 594 Ca 0.04 1.64 0.04 0.00 -0.96 0.00 0.00 56.93 57.69 1xfu s PHE 594 Cb -0.13 -3.16 -0.01 0.00 -0.34 0.00 0.00 43.02 39.38 1xfu s PHE 594 CO -0.06 -0.19 -0.13 0.42 -1.46 0.00 0.00 175.22 173.80 1xfu s ILE 595 N 1.05 1.01 -0.35 3.12 1.01 0.26 -0.72 121.20 126.58 1xfu s ILE 595 Ca 0.53 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1xfu s ILE 595 Cb -0.22 -0.85 0.09 0.00 0.01 0.00 0.00 42.46 41.49 1xfu s ILE 595 CO 0.28 0.25 0.07 -0.63 0.00 0.00 0.00 174.94 174.91 1xfu s ILE 596 N -0.36 2.59 1.07 2.92 1.01 0.06 -0.69 121.20 127.81 1xfu s ILE 596 Ca 0.04 -2.11 -0.15 0.00 0.00 0.00 0.00 60.65 58.43 1xfu s ILE 596 Cb -0.05 -2.79 0.13 0.00 0.01 0.00 0.00 42.46 39.76 1xfu s ILE 596 CO -0.00 -0.52 0.43 -0.46 0.00 0.00 0.00 174.94 174.39 1xfu n ASN 597 N 4.39 -1.92 0.00 3.58 0.23 -1.02 -2.77 115.26 117.75 1xfu n ASN 597 Ca -0.01 0.03 0.01 0.00 -0.53 0.00 0.00 54.58 54.08 1xfu n ASN 597 Cb 0.42 -1.13 0.05 0.00 -2.08 0.00 0.00 39.78 37.03 1xfu n ASN 597 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1xfu n PRO 598 N -2.81 0.00 -0.03 -0.53 -0.04 -1.26 -2.73 135.00 127.60 1xfu n PRO 598 Ca 0.04 0.46 -0.02 0.00 -0.04 0.00 0.00 63.50 63.94 1xfu n PRO 598 Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1xfu n PRO 598 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xfu n GLU 599 N -1.49 2.03 0.00 0.54 1.02 -1.26 -2.57 120.64 118.90 1xfu n GLU 599 Ca 0.01 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1xfu n GLU 599 Cb 0.02 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 1xfu n GLU 599 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfu n GLY 600 N 2.38 2.13 3.61 0.62 0.00 -1.11 -4.79 105.19 108.04 1xfu n GLY 600 Ca -0.10 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1xfu n GLY 600 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xfu n GLU 601 N 0.00 1.49 -3.73 1.61 1.02 -1.26 -4.71 120.64 115.06 1xfu n GLU 601 Ca 0.00 0.52 -0.32 0.00 -0.02 0.00 0.00 57.16 57.34 1xfu n GLU 601 Cb 0.00 -1.97 -0.05 0.00 -0.02 0.00 0.00 31.44 29.40 1xfu n GLU 601 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1xfu s PHE 602 N -1.12 3.52 -0.01 -0.32 2.99 -1.26 -2.43 117.98 119.35 1xfu s PHE 602 Ca 0.59 0.52 -0.13 0.00 0.00 0.00 0.00 56.93 57.91 1xfu s PHE 602 Cb -0.64 -1.97 0.02 0.00 0.00 0.00 0.00 43.02 40.43 1xfu s PHE 602 CO 0.60 0.51 0.26 0.42 -0.00 0.00 0.00 175.22 177.02 1xfu s ILE 603 N -1.52 0.07 -0.34 0.64 1.01 0.14 -2.31 121.20 118.88 1xfu s ILE 603 Ca 0.36 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1xfu s ILE 603 Cb -0.13 -0.59 0.14 0.00 0.01 0.00 0.00 42.46 41.89 1xfu s ILE 603 CO 0.23 -0.30 0.28 -0.22 0.00 0.00 0.00 174.94 174.93 1xfu s LEU 604 N -1.39 0.23 1.12 2.97 2.96 -1.12 0.91 118.68 124.35 1xfu s LEU 604 Ca -0.13 -1.50 -0.17 0.00 -0.22 0.00 0.00 54.13 52.10 1xfu s LEU 604 Cb -0.06 0.20 0.16 0.00 0.50 0.00 0.00 46.19 46.99 1xfu s LEU 604 CO 0.03 -0.32 0.20 0.35 -1.32 0.00 0.00 176.35 175.28 1xfu n THR 605 N 4.57 0.00 0.00 3.68 -2.24 -0.89 -4.63 114.28 114.77 1xfu n THR 605 Ca 0.06 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1xfu n THR 605 Cb 0.43 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1xfu n THR 605 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xfu n LYS 606 N -2.33 2.22 -4.27 -0.78 5.02 -1.26 -3.76 118.16 112.99 1xfu n LYS 606 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 1xfu n LYS 606 Cb 0.53 -0.93 -0.11 0.00 -0.02 0.00 0.00 35.03 34.49 1xfu n LYS 606 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xfu s ASN 607 N -2.25 2.28 0.49 4.39 0.01 -1.25 -4.08 114.94 114.52 1xfu s ASN 607 Ca 0.00 -0.80 0.21 0.00 -0.71 0.00 0.00 52.86 51.57 1xfu s ASN 607 Cb 0.00 -0.11 1.25 0.00 0.41 0.00 0.00 41.25 42.81 1xfu s ASN 607 CO 0.00 -0.07 1.97 -0.25 -1.51 0.00 0.00 177.10 177.24 1xfu h TRP 608 N 3.57 0.19 0.24 2.20 2.91 -1.81 0.11 115.95 123.35 1xfu h TRP 608 Ca -0.42 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.60 1xfu h TRP 608 Cb 1.20 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.79 1xfu h TRP 608 CO 0.65 0.08 -0.12 0.93 -1.03 0.00 0.00 178.44 178.96 1xfu h GLU 609 N 0.17 -0.31 -0.92 2.65 3.07 -1.94 -1.61 114.58 115.69 1xfu h GLU 609 Ca 0.29 0.02 0.26 0.00 -0.50 0.00 0.00 59.36 59.43 1xfu h GLU 609 Cb 0.91 0.07 -0.15 0.00 -0.84 0.00 0.00 28.75 28.74 1xfu h GLU 609 CO -0.05 -0.21 0.24 1.98 -1.40 0.00 0.00 179.01 179.58 1xfu h MET 610 N -1.04 0.16 0.14 2.33 4.05 -1.77 3.93 114.93 122.73 1xfu h MET 610 Ca -0.03 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1xfu h MET 610 Cb 0.25 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1xfu h MET 610 CO 0.05 0.10 -0.13 1.15 0.23 0.00 0.00 176.91 178.31 1xfu h THR 611 N 0.16 0.70 -0.18 -0.77 2.02 -0.88 2.50 112.91 116.47 1xfu h THR 611 Ca 0.60 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.81 1xfu h THR 611 Cb 1.26 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1xfu h THR 611 CO -0.71 0.00 -0.04 1.23 0.37 0.00 0.00 175.52 176.37 1xfu h GLY 612 N -0.30 0.13 0.96 2.16 0.00 0.45 -0.15 103.07 106.33 1xfu h GLY 612 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1xfu h GLY 612 CO -0.03 -0.06 0.62 3.21 0.00 0.00 0.00 176.54 180.27 1xfu h ARG 613 N 0.01 1.21 0.00 4.80 3.08 0.72 -1.69 114.38 122.51 1xfu h ARG 613 Ca 0.09 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1xfu h ARG 613 Cb 0.13 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1xfu h ARG 613 CO -0.18 0.80 0.00 0.34 -1.07 0.00 0.00 179.97 179.86 1xfu n PHE 614 N -4.45 0.00 -0.48 3.04 7.35 0.83 -2.37 117.46 121.38 1xfu n PHE 614 Ca 0.11 0.00 0.39 0.00 -0.76 0.00 0.00 57.45 57.19 1xfu n PHE 614 Cb 0.04 -0.33 0.62 0.00 0.35 0.00 0.00 39.48 40.16 1xfu n PHE 614 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1xfu n ILE 615 N -1.51 -0.13 -0.05 -2.13 5.41 -0.13 0.95 119.36 121.77 1xfu n ILE 615 Ca 0.00 1.41 -0.14 0.00 1.00 0.00 0.00 62.75 65.02 1xfu n ILE 615 Cb 0.00 -2.33 -0.07 0.00 -0.71 0.00 0.00 39.64 36.53 1xfu n ILE 615 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1xfu h GLU 616 N 0.00 0.46 0.07 0.38 5.08 -1.17 0.45 114.58 119.85 1xfu h GLU 616 Ca 0.76 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1xfu h GLU 616 Cb 2.72 0.03 0.00 0.00 0.50 0.00 0.00 28.75 32.00 1xfu h GLU 616 CO -0.24 0.88 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.40 1xfu h LYS 617 N 0.08 -0.09 0.01 2.33 3.64 0.97 -2.38 116.57 121.12 1xfu h LYS 617 Ca 0.01 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.12 1xfu h LYS 617 Cb 0.85 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1xfu h LYS 617 CO 0.06 0.48 -1.55 -0.91 -2.27 0.00 0.00 179.45 175.26 1xfu h ASN 618 N -0.82 0.03 0.00 4.20 4.21 -1.33 -3.41 115.58 118.46 1xfu h ASN 618 Ca -0.01 -0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1xfu h ASN 618 Cb 0.61 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.80 1xfu h ASN 618 CO 0.02 1.04 0.00 -0.38 -1.29 0.00 0.00 177.43 176.82 1xfu n ILE 619 N -3.14 0.00 0.00 2.81 5.41 -0.37 -4.60 119.36 119.47 1xfu n ILE 619 Ca -0.13 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1xfu n ILE 619 Cb 1.03 -0.90 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1xfu n ILE 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xfu n THR 620 N -1.30 0.00 -0.33 1.39 -1.04 0.14 -1.38 114.28 111.76 1xfu n THR 620 Ca 0.00 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1xfu n THR 620 Cb 0.00 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1xfu n THR 620 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xfu n GLY 621 N -0.57 2.01 0.70 3.41 0.00 -0.89 -3.60 105.19 106.25 1xfu n GLY 621 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1xfu n GLY 621 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfu n LYS 622 N 1.56 0.00 -1.17 1.61 3.00 -0.48 -4.96 118.16 117.73 1xfu n LYS 622 Ca 0.00 -1.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.20 1xfu n LYS 622 Cb 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 35.03 35.07 1xfu n LYS 622 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfu n ASP 623 N 0.10 -2.31 -4.30 3.14 8.00 -1.24 -4.94 116.55 115.00 1xfu n ASP 623 Ca 0.01 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.20 1xfu n ASP 623 Cb 0.77 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 41.25 1xfu n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xfu s TYR 624 N -2.00 2.28 -0.27 1.24 1.51 -1.23 -1.85 117.35 117.03 1xfu s TYR 624 Ca 0.00 -0.43 -0.27 0.00 -1.01 0.00 0.00 57.07 55.36 1xfu s TYR 624 Cb 0.00 -1.46 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1xfu s TYR 624 CO 0.00 -0.03 0.96 -1.17 -1.11 0.00 0.00 175.55 174.20 1xfu s LEU 625 N -0.64 4.04 0.05 -1.29 2.96 -0.69 -4.47 118.68 118.64 1xfu s LEU 625 Ca 0.10 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 1xfu s LEU 625 Cb -0.10 -3.38 -0.03 0.00 0.50 0.00 0.00 46.19 43.18 1xfu s LEU 625 CO -0.01 -0.69 -0.09 -0.47 -1.32 0.00 0.00 176.35 173.77 1xfu s TYR 626 N 3.22 0.76 0.00 5.38 5.04 -1.26 -4.06 117.35 126.43 1xfu s TYR 626 Ca 0.40 -0.51 -0.02 0.00 -2.44 0.00 0.00 57.07 54.50 1xfu s TYR 626 Cb -0.14 -0.45 -0.01 0.00 0.35 0.00 0.00 41.96 41.72 1xfu s TYR 626 CO 0.10 -0.07 0.03 1.52 -1.34 0.00 0.00 175.55 175.80 1xfu s TYR 627 N -1.48 0.09 0.03 4.97 -0.85 -1.26 -5.05 117.35 113.80 1xfu s TYR 627 Ca -0.08 -0.18 0.06 0.00 -0.52 0.00 0.00 57.07 56.35 1xfu s TYR 627 Cb -0.09 -0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.14 1xfu s TYR 627 CO 0.00 -0.13 -0.13 -0.59 -1.52 0.00 0.00 175.55 173.18 1xfu s PHE 628 N -0.80 2.70 -0.23 -3.49 -0.12 -1.26 -4.97 117.98 109.81 1xfu s PHE 628 Ca -0.09 -0.17 -0.21 0.00 -0.05 0.00 0.00 56.93 56.42 1xfu s PHE 628 Cb -0.05 -1.52 -0.09 0.00 -0.63 0.00 0.00 43.02 40.73 1xfu s PHE 628 CO -0.00 0.31 0.84 -1.71 -0.05 0.00 0.00 175.22 174.61 1xfu n ASN 629 N 1.49 0.46 -0.28 1.98 2.85 -1.20 -4.77 115.26 115.79 1xfu n ASN 629 Ca -0.16 0.44 0.13 0.00 -0.11 0.00 0.00 54.58 54.88 1xfu n ASN 629 Cb 0.52 -0.41 0.38 0.00 1.24 0.00 0.00 39.78 41.51 1xfu n ASN 629 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1xfu h ARG 630 N 3.11 0.67 -0.77 1.20 2.47 -1.96 -0.67 114.38 118.43 1xfu h ARG 630 Ca -0.13 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1xfu h ARG 630 Cb 0.64 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1xfu h ARG 630 CO 0.47 0.44 0.00 0.43 0.56 0.00 0.00 179.97 181.88 1xfu n SER 631 N -4.59 0.82 -4.81 7.04 7.64 -1.26 -4.78 113.62 113.69 1xfu n SER 631 Ca 0.19 -1.49 -0.38 0.00 1.01 0.00 0.00 58.87 58.19 1xfu n SER 631 Cb 0.50 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 63.27 1xfu n SER 631 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xfu s TYR 632 N -0.93 3.79 0.00 1.43 4.12 -0.26 -3.47 117.35 122.03 1xfu s TYR 632 Ca 0.00 1.29 0.00 0.00 0.02 0.00 0.00 57.07 58.38 1xfu s TYR 632 Cb 0.00 -2.51 0.00 0.00 -1.52 0.00 0.00 41.96 37.93 1xfu s TYR 632 CO 0.00 0.56 0.00 0.09 0.02 0.00 0.00 175.55 176.22 1xfu n ASN 633 N 1.60 0.00 -2.61 2.29 3.02 -0.16 -4.91 115.26 114.48 1xfu n ASN 633 Ca -0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.41 1xfu n ASN 633 Cb 0.51 -0.44 0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1xfu n ASN 633 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xfu n LYS 634 N -2.00 1.18 -3.84 3.52 5.02 -1.23 -4.96 118.16 115.85 1xfu n LYS 634 Ca 0.00 -0.71 -0.34 0.00 -2.02 0.00 0.00 58.31 55.24 1xfu n LYS 634 Cb 0.00 0.03 -0.12 0.00 -0.02 0.00 0.00 35.03 34.92 1xfu n LYS 634 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xfu s ILE 635 N -0.29 3.07 0.31 -0.18 1.09 -1.26 -4.16 121.20 119.79 1xfu s ILE 635 Ca 0.09 -2.57 -0.29 0.00 -1.10 0.00 0.00 60.65 56.78 1xfu s ILE 635 Cb -0.01 -3.11 -0.12 0.00 -1.06 0.00 0.00 42.46 38.16 1xfu s ILE 635 CO 0.06 -0.74 1.37 0.00 -0.10 0.00 0.00 174.94 175.53 1xfu n ALA 636 N 3.98 1.49 0.10 9.38 0.00 -1.08 -4.82 120.51 129.56 1xfu n ALA 636 Ca 0.03 0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 1xfu n ALA 636 Cb 0.39 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.52 1xfu n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xfu h PRO 637 N 3.31 -0.26 -0.49 0.00 0.11 -1.82 0.10 132.00 132.95 1xfu h PRO 637 Ca -0.46 0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.75 1xfu h PRO 637 Cb 1.27 0.06 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 1xfu h PRO 637 CO 0.68 -0.17 -0.16 0.41 -0.21 0.00 0.00 178.00 178.55 1xfu n GLY 638 N -0.65 -0.94 0.00 -0.55 0.00 -1.16 -1.25 105.19 100.64 1xfu n GLY 638 Ca -0.03 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1xfu n GLY 638 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xfu n ASN 639 N -4.75 1.36 -3.97 1.61 2.04 -1.24 -4.98 115.26 105.33 1xfu n ASN 639 Ca 0.06 -1.40 -0.26 0.00 -0.44 0.00 0.00 54.58 52.55 1xfu n ASN 639 Cb 0.22 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.44 1xfu n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1xfu n LYS 640 N -0.20 -3.19 -4.75 -3.83 5.02 0.36 -4.95 118.16 106.61 1xfu n LYS 640 Ca 0.00 0.39 -0.33 0.00 -2.02 0.00 0.00 58.31 56.35 1xfu n LYS 640 Cb 0.11 -4.49 -0.13 0.00 -0.02 0.00 0.00 35.03 30.51 1xfu n LYS 640 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xfu s ALA 641 N -3.98 2.77 -0.42 7.82 0.00 -1.17 -4.86 121.76 121.92 1xfu s ALA 641 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 1xfu s ALA 641 Cb -0.00 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.00 1xfu s ALA 641 CO 0.89 0.47 0.33 -0.47 0.00 0.00 0.00 175.76 176.99 1xfu s TYR 642 N -0.44 3.23 -0.30 0.00 5.04 -1.26 -2.63 117.35 120.99 1xfu s TYR 642 Ca 0.06 -0.59 -0.03 0.00 -2.44 0.00 0.00 57.07 54.07 1xfu s TYR 642 Cb -0.12 -2.71 0.04 0.00 0.35 0.00 0.00 41.96 39.52 1xfu s TYR 642 CO 0.02 -0.63 0.01 0.42 -1.34 0.00 0.00 175.55 174.03 1xfu s ILE 643 N 1.75 3.18 0.19 3.14 1.01 -1.26 -4.98 121.20 124.23 1xfu s ILE 643 Ca 0.06 -1.21 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 1xfu s ILE 643 Cb -0.19 -2.76 -0.08 0.00 0.01 0.00 0.00 42.46 39.44 1xfu s ILE 643 CO 0.10 -0.04 1.09 -0.70 0.00 0.00 0.00 174.94 175.40 1xfu s GLU 644 N 1.31 4.61 -0.17 2.79 2.12 -1.26 -0.99 118.70 127.11 1xfu s GLU 644 Ca -0.03 1.72 -0.11 0.00 0.36 0.00 0.00 54.97 56.91 1xfu s GLU 644 Cb -0.19 -3.27 0.06 0.00 0.26 0.00 0.00 34.13 30.99 1xfu s GLU 644 CO -0.01 0.10 0.43 -0.46 -0.54 0.00 0.00 175.26 174.79 1xfu s TRP 645 N -0.36 -0.59 -0.17 5.30 -0.11 -1.26 -4.91 118.94 116.84 1xfu s TRP 645 Ca 0.49 1.29 -0.29 0.00 1.22 0.00 0.00 56.10 58.81 1xfu s TRP 645 Cb -0.29 0.26 -0.05 0.00 -1.50 0.00 0.00 33.47 31.88 1xfu s TRP 645 CO 0.35 -0.32 2.04 0.95 -4.62 0.00 0.00 176.95 175.36 1xfu s THR 646 N 1.08 3.15 -0.25 5.86 -4.23 -1.26 -4.83 115.64 115.15 1xfu s THR 646 Ca -0.07 0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.54 1xfu s THR 646 Cb -0.07 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.59 1xfu s THR 646 CO -0.09 -0.09 0.05 -0.62 -0.54 0.00 0.00 174.62 173.33 1xfu s ASP 647 N 6.69 4.93 0.07 3.99 3.68 -1.26 -5.01 116.67 129.76 1xfu s ASP 647 Ca 0.92 -0.37 -0.32 0.00 2.13 0.00 0.00 52.55 54.91 1xfu s ASP 647 Cb -0.33 -1.87 -0.18 0.00 -1.45 0.00 0.00 42.92 39.09 1xfu s ASP 647 CO 0.36 -0.07 1.64 -0.65 0.13 0.00 0.00 175.17 176.58 1xfu h PRO 648 N 8.21 -0.75 -1.12 4.34 0.11 -1.99 -2.91 132.00 137.89 1xfu h PRO 648 Ca -0.37 0.05 0.39 0.00 0.11 0.00 0.00 66.00 66.18 1xfu h PRO 648 Cb 1.16 0.17 -0.15 0.00 0.11 0.00 0.00 31.00 32.29 1xfu h PRO 648 CO 0.59 -0.50 0.67 0.82 -0.21 0.00 0.00 178.00 179.37 1xfu h ILE 649 N -0.78 0.15 -0.09 4.15 2.04 -1.98 1.78 117.51 122.79 1xfu h ILE 649 Ca -0.08 -0.05 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1xfu h ILE 649 Cb 0.60 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1xfu h ILE 649 CO 0.13 0.03 -0.52 0.74 0.00 0.00 0.00 178.15 178.53 1xfu h THR 650 N 0.14 1.35 0.00 -0.27 2.02 -1.95 -2.74 112.91 111.46 1xfu h THR 650 Ca 0.80 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1xfu h THR 650 Cb 2.17 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 1xfu h THR 650 CO -0.58 0.53 0.00 1.17 0.37 0.00 0.00 175.52 177.01 1xfu n LYS 651 N -3.94 0.01 -0.15 6.66 4.81 0.61 -1.48 118.16 124.67 1xfu n LYS 651 Ca -0.02 0.39 0.06 0.00 -0.87 0.00 0.00 58.31 57.87 1xfu n LYS 651 Cb 0.56 -1.50 0.09 0.00 0.02 0.00 0.00 35.03 34.19 1xfu n LYS 651 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xfu n ALA 652 N -1.49 2.12 -0.03 3.14 0.00 -1.04 -4.68 120.51 118.53 1xfu n ALA 652 Ca 0.01 -2.00 -0.18 0.00 0.00 0.00 0.00 53.44 51.27 1xfu n ALA 652 Cb 0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 1xfu n ALA 652 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xfu h LYS 653 N 0.00 0.13 -0.94 0.00 3.64 -1.19 -3.30 116.57 114.92 1xfu h LYS 653 Ca 0.00 -0.22 0.27 0.00 -1.27 0.00 0.00 60.65 59.43 1xfu h LYS 653 Cb 1.02 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1xfu h LYS 653 CO 0.00 1.11 1.10 -0.89 -2.27 0.00 0.00 179.45 178.50 1xfu n ILE 654 N -4.31 0.00 -1.51 2.00 5.41 -1.26 0.13 119.36 119.82 1xfu n ILE 654 Ca -0.18 1.13 0.06 0.00 1.00 0.00 0.00 62.75 64.77 1xfu n ILE 654 Cb 0.69 -2.03 0.20 0.00 -0.71 0.00 0.00 39.64 37.79 1xfu n ILE 654 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1xfu n ASN 655 N -3.04 1.85 -3.95 4.38 5.03 -1.24 -4.55 115.26 113.74 1xfu n ASN 655 Ca 0.21 -3.78 -0.25 0.00 0.87 0.00 0.00 54.58 51.63 1xfu n ASN 655 Cb 1.38 -0.52 -0.17 0.00 -1.02 0.00 0.00 39.78 39.46 1xfu n ASN 655 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xfu s THR 656 N -3.19 0.97 0.33 3.41 2.01 0.35 -4.08 115.64 115.45 1xfu s THR 656 Ca 0.37 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 1xfu s THR 656 Cb 0.36 -0.95 -0.12 0.00 0.01 0.00 0.00 72.50 71.81 1xfu s THR 656 CO -0.05 0.34 1.48 0.00 -0.69 0.00 0.00 174.62 175.69 1xfu n ILE 657 N 4.34 1.56 -0.50 1.82 3.06 -1.26 -4.76 119.36 123.62 1xfu n ILE 657 Ca -0.19 -0.39 -0.05 0.00 -2.50 0.00 0.00 62.75 59.63 1xfu n ILE 657 Cb 0.51 -1.84 0.04 0.00 0.54 0.00 0.00 39.64 38.89 1xfu n ILE 657 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1xfu n PRO 658 N 1.20 -1.51 -4.45 9.51 -0.04 -1.26 -5.06 135.00 133.38 1xfu n PRO 658 Ca 0.05 -0.27 -0.25 0.00 -0.04 0.00 0.00 63.50 63.00 1xfu n PRO 658 Cb 0.37 -0.26 -0.10 0.00 -0.04 0.00 0.00 33.50 33.47 1xfu n PRO 658 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xfu s THR 659 N -1.29 2.45 0.07 0.52 2.01 -1.26 -4.92 115.64 113.23 1xfu s THR 659 Ca 0.11 -2.15 -0.20 0.00 0.31 0.00 0.00 61.69 59.77 1xfu s THR 659 Cb -0.01 -2.66 -0.07 0.00 0.01 0.00 0.00 72.50 69.77 1xfu s THR 659 CO 0.09 -0.24 1.32 -1.28 -0.69 0.00 0.00 174.62 173.82 1xfu h SER 660 N 1.98 -1.03 0.44 3.53 0.87 -1.90 0.22 113.55 117.66 1xfu h SER 660 Ca -0.42 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.19 1xfu h SER 660 Cb 1.25 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 63.61 1xfu h SER 660 CO 0.67 -0.28 -0.34 0.00 -0.53 0.00 0.00 176.83 176.36 1xfu h ALA 661 N -0.73 1.31 0.00 6.23 0.00 -1.96 -0.64 119.26 123.48 1xfu h ALA 661 Ca 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1xfu h ALA 661 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xfu h ALA 661 CO -0.27 0.42 -0.34 1.49 0.00 0.00 0.00 179.25 180.55 1xfu h GLU 662 N 0.00 0.00 0.14 0.00 4.81 -1.71 -1.11 114.58 116.71 1xfu h GLU 662 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xfu h GLU 662 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1xfu h GLU 662 CO 0.04 0.34 -0.07 0.35 -0.73 0.00 0.00 179.01 178.95 1xfu h PHE 663 N 0.00 -0.17 -1.20 0.92 3.57 0.20 -2.93 116.94 117.33 1xfu h PHE 663 Ca -0.00 -0.00 0.35 0.00 3.53 0.00 0.00 57.97 61.84 1xfu h PHE 663 Cb 0.63 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 1xfu h PHE 663 CO 0.00 -0.11 0.80 0.82 -2.23 0.00 0.00 178.31 177.60 1xfu h ILE 664 N -0.65 0.36 0.66 1.41 2.04 -1.16 -0.19 117.51 119.98 1xfu h ILE 664 Ca -0.02 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1xfu h ILE 664 Cb 0.14 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1xfu h ILE 664 CO 0.03 0.04 -0.32 0.11 0.00 0.00 0.00 178.15 178.01 1xfu h LYS 665 N 0.19 -0.86 0.00 2.37 6.56 -1.24 -2.16 116.57 121.43 1xfu h LYS 665 Ca 0.67 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 60.32 1xfu h LYS 665 Cb 2.10 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 33.96 1xfu h LYS 665 CO -0.25 -0.57 0.42 -0.91 -2.06 0.00 0.00 179.45 176.08 1xfu h ASN 666 N -0.90 0.00 0.00 0.86 4.21 -0.84 -0.01 115.58 118.90 1xfu h ASN 666 Ca -0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1xfu h ASN 666 Cb 0.68 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1xfu h ASN 666 CO 0.15 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.47 1xfu n LEU 667 N -2.64 0.15 -0.27 1.61 4.77 -0.99 -3.04 117.00 116.60 1xfu n LEU 667 Ca -0.01 0.51 0.24 0.00 -0.03 0.00 0.00 56.01 56.71 1xfu n LEU 667 Cb 0.46 -0.47 0.42 0.00 -2.33 0.00 0.00 43.42 41.50 1xfu n LEU 667 CO 0.10 -0.47 0.76 -0.24 -1.33 0.00 0.00 177.39 176.21 1xfu n SER 668 N -1.92 0.19 0.00 -1.43 2.88 -0.72 0.20 113.62 112.82 1xfu n SER 668 Ca 0.00 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1xfu n SER 668 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1xfu n SER 668 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xfu n SER 669 N -4.26 0.00 -0.32 -3.46 2.88 -0.10 -2.12 113.62 106.24 1xfu n SER 669 Ca 0.26 0.57 0.21 0.00 -1.33 0.00 0.00 58.87 58.58 1xfu n SER 669 Cb 0.96 -0.07 0.42 0.00 -0.75 0.00 0.00 64.21 64.77 1xfu n SER 669 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1xfu h ILE 670 N 0.00 0.23 0.00 2.46 2.04 -0.16 -0.10 117.51 121.97 1xfu h ILE 670 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1xfu h ILE 670 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1xfu h ILE 670 CO 0.00 0.04 0.00 -1.14 0.00 0.00 0.00 178.15 177.05 1xfu n ARG 671 N -5.18 0.00 0.00 2.37 0.63 -0.51 -0.14 116.66 113.83 1xfu n ARG 671 Ca 0.29 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 58.05 1xfu n ARG 671 Cb 0.92 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 32.37 1xfu n ARG 671 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1xfu n ARG 672 N -2.60 0.00 0.00 -0.14 0.00 -0.05 -3.42 116.66 110.44 1xfu n ARG 672 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1xfu n ARG 672 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.14 1xfu n ARG 672 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xfu n SER 673 N -0.66 0.00 -4.65 6.15 2.88 0.80 -4.80 113.62 113.35 1xfu n SER 673 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1xfu n SER 673 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1xfu n SER 673 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xfu s SER 674 N 0.53 6.60 0.00 -3.46 1.04 -0.99 -4.82 113.70 112.60 1xfu s SER 674 Ca 0.00 1.81 0.03 0.00 0.48 0.00 0.00 55.95 58.27 1xfu s SER 674 Cb 0.00 -2.53 0.15 0.00 0.10 0.00 0.00 66.02 63.74 1xfu s SER 674 CO 0.00 -1.04 0.46 0.59 0.98 0.00 0.00 173.24 174.23 1xfu n ASN 675 N 7.61 0.00 -4.70 7.02 3.02 -1.22 -4.18 115.26 122.81 1xfu n ASN 675 Ca 0.17 -0.37 -0.36 0.00 -0.03 0.00 0.00 54.58 53.99 1xfu n ASN 675 Cb 0.44 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.53 1xfu n ASN 675 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xfu s VAL 676 N -2.00 5.36 0.76 2.41 -7.23 -1.26 -4.87 120.40 113.58 1xfu s VAL 676 Ca 0.04 0.28 -0.09 0.00 -1.81 0.00 0.00 61.98 60.40 1xfu s VAL 676 Cb 0.02 -3.53 0.09 0.00 0.56 0.00 0.00 36.38 33.52 1xfu s VAL 676 CO 0.03 0.38 1.10 -0.83 -0.31 0.00 0.00 175.10 175.47 1xfu s GLY 677 N 0.68 1.67 0.59 2.32 0.00 -1.26 -4.46 107.32 106.86 1xfu s GLY 677 Ca 0.10 -0.92 0.34 0.00 0.00 0.00 0.00 44.72 44.24 1xfu s GLY 677 CO 0.02 -0.44 2.21 -2.08 0.00 0.00 0.00 173.10 172.81 1xfu h VAL 678 N -0.85 0.34 -3.25 1.40 2.07 -1.99 -3.40 116.25 110.58 1xfu h VAL 678 Ca -0.44 -0.21 -0.24 0.00 0.82 0.00 0.00 66.70 66.63 1xfu h VAL 678 Cb 1.31 1.15 -0.31 0.00 -1.52 0.00 0.00 31.29 31.92 1xfu h VAL 678 CO 0.58 0.04 -0.59 -0.72 0.02 0.00 0.00 177.57 176.90 1xfu s TYR 679 N -4.27 -0.17 0.29 1.57 -0.85 -1.26 -4.78 117.35 107.87 1xfu s TYR 679 Ca -0.04 0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 56.98 1xfu s TYR 679 Cb 0.13 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 42.37 1xfu s TYR 679 CO 0.52 -0.16 0.53 0.21 -1.52 0.00 0.00 175.55 175.12 1xfu s LYS 680 N 1.08 3.57 -1.29 -3.49 2.20 -1.26 -5.00 119.74 115.56 1xfu s LYS 680 Ca -0.08 -0.13 -0.18 0.00 -0.36 0.00 0.00 55.97 55.21 1xfu s LYS 680 Cb -0.11 -2.68 0.05 0.00 -1.51 0.00 0.00 37.83 33.59 1xfu s LYS 680 CO -0.06 0.22 1.76 -3.47 -0.36 0.00 0.00 175.35 173.45 1xfu n ASP 681 N -1.11 4.76 -0.88 1.43 2.03 -1.26 -4.81 116.55 116.71 1xfu n ASP 681 Ca -0.03 -2.90 0.00 0.00 0.52 0.00 0.00 54.79 52.38 1xfu n ASP 681 Cb 0.54 -1.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 1xfu n ASP 681 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xfu n SER 682 N 8.96 0.06 -0.18 1.67 3.41 -1.26 -5.06 113.62 121.22 1xfu n SER 682 Ca 0.49 -0.85 0.07 0.00 -0.26 0.00 0.00 58.87 58.32 1xfu n SER 682 Cb 0.46 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 1xfu n SER 682 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xfu n GLY 683 N 0.15 -0.20 3.54 5.00 0.00 -1.26 -4.90 105.19 107.52 1xfu n GLY 683 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1xfu n GLY 683 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xfu n ASP 684 N -0.71 2.35 0.00 1.61 5.68 -1.26 -4.71 116.55 119.51 1xfu n ASP 684 Ca 0.05 -0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1xfu n ASP 684 Cb 0.27 -1.46 0.00 0.00 -1.14 0.00 0.00 41.12 38.79 1xfu n ASP 684 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xfu n LYS 685 N 8.76 0.00 0.03 0.11 4.76 -1.26 0.15 118.16 130.71 1xfu n LYS 685 Ca 0.39 0.24 -0.05 0.00 -2.87 0.00 0.00 58.31 56.02 1xfu n LYS 685 Cb 0.42 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.90 1xfu n LYS 685 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1xfu h ASP 686 N 0.00 0.00 0.42 4.39 3.45 -1.99 -2.91 116.42 119.78 1xfu h ASP 686 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1xfu h ASP 686 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1xfu h ASP 686 CO 0.00 0.84 -0.20 -0.08 -1.57 0.00 0.00 179.24 178.23 1xfu h GLU 687 N 0.00 -0.54 -1.07 3.56 4.57 0.10 -2.87 114.58 118.33 1xfu h GLU 687 Ca -0.16 0.04 0.29 0.00 -1.18 0.00 0.00 59.36 58.35 1xfu h GLU 687 Cb 1.78 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 30.42 1xfu h GLU 687 CO 0.08 -0.36 0.73 0.35 -1.18 0.00 0.00 179.01 178.63 1xfu h PHE 688 N -0.94 0.35 -0.61 0.92 -0.00 -1.67 1.69 116.94 116.68 1xfu h PHE 688 Ca -0.06 0.01 0.10 0.00 -0.00 0.00 0.00 57.97 58.02 1xfu h PHE 688 Cb 0.43 -0.10 -0.07 0.00 -0.00 0.00 0.00 35.95 36.21 1xfu h PHE 688 CO 0.03 0.03 0.21 0.00 -0.00 0.00 0.00 178.31 178.58 1xfu h ALA 689 N 1.54 0.78 0.41 2.41 0.00 -1.31 0.71 119.26 123.80 1xfu h ALA 689 Ca 0.56 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 1xfu h ALA 689 Cb 1.79 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1xfu h ALA 689 CO -0.16 -0.21 -0.20 0.87 0.00 0.00 0.00 179.25 179.55 1xfu h LYS 690 N 0.38 -0.54 0.00 0.00 1.57 0.27 -1.68 116.57 116.57 1xfu h LYS 690 Ca 0.31 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1xfu h LYS 690 Cb 0.40 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1xfu h LYS 690 CO -0.32 -0.23 0.00 1.17 -0.57 0.00 0.00 179.45 179.49 1xfu n LYS 691 N -5.22 0.00 -0.29 3.15 4.81 -0.37 -0.37 118.16 119.88 1xfu n LYS 691 Ca -0.10 0.89 0.04 0.00 -0.87 0.00 0.00 58.31 58.26 1xfu n LYS 691 Cb 0.29 -1.46 0.10 0.00 0.02 0.00 0.00 35.03 33.97 1xfu n LYS 691 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1xfu n GLU 692 N -2.70 -0.09 0.26 1.64 4.07 0.19 -0.01 120.64 123.99 1xfu n GLU 692 Ca 0.00 1.22 0.09 0.00 -0.06 0.00 0.00 57.16 58.41 1xfu n GLU 692 Cb 0.00 -1.82 0.66 0.00 -0.06 0.00 0.00 31.44 30.22 1xfu n GLU 692 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1xfu h SER 693 N 0.00 0.00 0.15 4.31 0.87 0.29 -1.82 113.55 117.35 1xfu h SER 693 Ca 0.36 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.69 1xfu h SER 693 Cb 0.56 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1xfu h SER 693 CO -0.80 0.05 -1.00 -0.37 -0.53 0.00 0.00 176.83 174.18 1xfu h VAL 694 N 0.00 1.42 -0.83 2.23 -1.51 0.59 -2.79 116.25 115.37 1xfu h VAL 694 Ca -0.00 -2.51 0.24 0.00 -1.23 0.00 0.00 66.70 63.20 1xfu h VAL 694 Cb 0.09 3.04 -0.03 0.00 -2.13 0.00 0.00 31.29 32.26 1xfu h VAL 694 CO 0.01 0.73 0.66 0.50 -1.23 0.00 0.00 177.57 178.24 1xfu h LYS 695 N -0.14 0.00 0.00 5.19 3.64 -0.81 0.92 116.57 125.37 1xfu h LYS 695 Ca -0.17 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.07 1xfu h LYS 695 Cb 1.76 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.56 1xfu h LYS 695 CO 0.19 0.00 -0.70 0.87 -2.27 0.00 0.00 179.45 177.54 1xfu h LYS 696 N 0.00 0.00 0.10 1.90 1.57 -1.09 -3.17 116.57 115.88 1xfu h LYS 696 Ca 0.39 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.94 1xfu h LYS 696 Cb 1.71 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.04 1xfu h LYS 696 CO -0.00 0.70 -0.96 0.82 -0.57 0.00 0.00 179.45 179.44 1xfu h ILE 697 N 0.00 1.39 0.00 1.86 2.04 0.87 -2.88 117.51 120.79 1xfu h ILE 697 Ca -0.01 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1xfu h ILE 697 Cb 1.48 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 40.39 1xfu h ILE 697 CO 0.09 0.70 0.00 0.00 0.00 0.00 0.00 178.15 178.94 1xfu n ALA 698 N -2.65 1.70 0.05 1.87 0.00 0.82 -1.22 120.51 121.07 1xfu n ALA 698 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xfu n ALA 698 Cb 0.86 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1xfu n ALA 698 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfu n GLY 699 N 0.39 -0.08 0.41 0.00 0.00 -1.15 -4.28 105.19 100.47 1xfu n GLY 699 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1xfu n GLY 699 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xfu h TYR 700 N 0.00 -1.23 -0.57 1.61 0.99 -1.15 1.42 116.97 118.03 1xfu h TYR 700 Ca 0.00 0.05 0.11 0.00 2.00 0.00 0.00 58.73 60.89 1xfu h TYR 700 Cb 0.23 0.55 -0.09 0.00 1.00 0.00 0.00 36.73 38.43 1xfu h TYR 700 CO 0.00 -0.49 0.09 -0.07 -0.00 0.00 0.00 178.16 177.69 1xfu h LEU 701 N -0.52 -0.07 -2.01 3.88 3.38 -1.45 0.39 115.31 118.91 1xfu h LEU 701 Ca 0.06 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1xfu h LEU 701 Cb 0.64 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1xfu h LEU 701 CO -0.38 -0.02 -0.10 -1.28 0.09 0.00 0.00 178.44 176.76 1xfu h SER 702 N 0.21 0.00 1.24 -0.43 0.87 -0.92 -1.91 113.55 112.62 1xfu h SER 702 Ca 0.30 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.70 1xfu h SER 702 Cb 0.45 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1xfu h SER 702 CO -0.41 0.10 -0.77 0.44 -0.53 0.00 0.00 176.83 175.66 1xfu h ASP 703 N 0.00 0.00 0.61 6.23 3.45 0.59 -3.32 116.42 123.97 1xfu h ASP 703 Ca -0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1xfu h ASP 703 Cb 0.25 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 1xfu h ASP 703 CO 0.01 0.71 -0.51 0.22 -1.57 0.00 0.00 179.24 178.10 1xfu h TYR 704 N 0.00 -1.38 -0.18 4.55 3.20 -0.11 -3.17 116.97 119.89 1xfu h TYR 704 Ca -0.02 0.00 -0.71 0.00 3.14 0.00 0.00 58.73 61.14 1xfu h TYR 704 Cb 1.56 0.52 -0.04 0.00 1.54 0.00 0.00 36.73 40.31 1xfu h TYR 704 CO 0.00 -0.70 3.13 0.66 -1.64 0.00 0.00 178.16 179.61 1xfu n TYR 705 N -5.56 3.25 -3.92 -3.82 4.02 -1.21 -4.90 117.16 105.01 1xfu n TYR 705 Ca -0.13 -2.98 -0.35 0.00 -0.01 0.00 0.00 57.90 54.43 1xfu n TYR 705 Cb 0.48 -2.46 -0.11 0.00 -0.02 0.00 0.00 39.34 37.23 1xfu n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1xfu s ASN 706 N 2.69 5.52 0.38 7.72 3.84 -1.20 -4.98 114.94 128.91 1xfu s ASN 706 Ca 0.50 -0.00 0.28 0.00 0.21 0.00 0.00 52.86 53.85 1xfu s ASN 706 Cb 0.14 -1.96 1.12 0.00 -0.55 0.00 0.00 41.25 40.00 1xfu s ASN 706 CO -0.07 0.10 1.82 0.28 -2.79 0.00 0.00 177.10 176.44 1xfu h SER 707 N 7.22 0.00 0.03 -4.21 0.02 -1.93 -2.39 113.55 112.29 1xfu h SER 707 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1xfu h SER 707 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1xfu h SER 707 CO 0.66 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.35 1xfu n ALA 708 N -1.90 2.36 0.27 3.77 0.00 -1.26 -3.33 120.51 120.42 1xfu n ALA 708 Ca 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1xfu n ALA 708 Cb 0.27 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.47 1xfu n ALA 708 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xfu n ASN 709 N -1.02 0.00 0.06 0.00 5.03 -0.90 -2.77 115.26 115.66 1xfu n ASN 709 Ca 0.17 0.09 -0.21 0.00 0.87 0.00 0.00 54.58 55.50 1xfu n ASN 709 Cb 0.09 -0.19 -0.11 0.00 -1.02 0.00 0.00 39.78 38.54 1xfu n ASN 709 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 1xfu h HIS 710 N 0.00 1.04 0.00 3.10 2.07 -1.84 -3.12 115.15 116.41 1xfu h HIS 710 Ca 0.00 -0.60 0.00 0.00 -2.85 0.00 0.00 60.37 56.92 1xfu h HIS 710 Cb 0.03 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 29.91 1xfu h HIS 710 CO 0.00 1.44 0.00 0.44 -3.07 0.00 0.00 177.93 176.74 1xfu n ILE 711 N -3.83 0.00 -4.07 6.12 -5.35 -1.12 -4.38 119.36 106.73 1xfu n ILE 711 Ca -0.12 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.33 1xfu n ILE 711 Cb 0.92 -0.14 -0.01 0.00 -1.74 0.00 0.00 39.64 38.67 1xfu n ILE 711 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xfu n PHE 712 N 0.21 0.10 -4.31 4.28 0.99 -1.18 -5.16 117.46 112.38 1xfu n PHE 712 Ca 0.00 -0.24 -0.18 0.00 -0.00 0.00 0.00 57.45 57.03 1xfu n PHE 712 Cb 0.00 -0.03 -0.14 0.00 -1.00 0.00 0.00 39.48 38.31 1xfu n PHE 712 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1xfu s SER 713 N -1.26 1.07 0.00 4.37 1.04 -1.26 -4.96 113.70 112.70 1xfu s SER 713 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1xfu s SER 713 Cb 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1xfu s SER 713 CO 0.00 0.06 0.00 0.00 0.98 0.00 0.00 173.24 174.29 1xfu n GLN 714 N 2.59 0.00 -0.08 4.02 3.00 -1.26 0.93 117.38 126.58 1xfu n GLN 714 Ca -0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.73 1xfu n GLN 714 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.75 1xfu n GLN 714 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1xfu h GLU 715 N 0.00 -0.38 0.32 -1.09 4.57 -2.00 -1.30 114.58 114.69 1xfu h GLU 715 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1xfu h GLU 715 Cb 0.00 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1xfu h GLU 715 CO 0.00 -0.25 -0.43 -0.22 -1.18 0.00 0.00 179.01 176.93 1xfu h LYS 716 N -0.40 -0.77 -0.98 1.92 1.63 0.15 -2.46 116.57 115.67 1xfu h LYS 716 Ca 0.11 0.05 0.11 0.00 -0.85 0.00 0.00 60.65 60.07 1xfu h LYS 716 Cb 0.60 0.17 -0.13 0.00 -0.60 0.00 0.00 32.23 32.28 1xfu h LYS 716 CO -0.52 -0.51 -0.53 0.87 -3.45 0.00 0.00 179.45 175.31 1xfu h LYS 717 N -0.79 -0.01 -0.85 1.90 1.57 -0.98 0.77 116.57 118.17 1xfu h LYS 717 Ca -0.02 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.95 1xfu h LYS 717 Cb 0.74 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.94 1xfu h LYS 717 CO -0.13 -0.01 0.37 0.00 -0.57 0.00 0.00 179.45 179.11 1xfu h ARG 718 N -0.01 0.42 0.00 3.15 3.08 -0.90 -0.84 114.38 119.27 1xfu h ARG 718 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1xfu h ARG 718 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1xfu h ARG 718 CO -0.94 0.28 0.00 1.63 -1.07 0.00 0.00 179.97 179.87 1xfu n LYS 719 N -5.02 0.00 -0.50 0.04 5.02 0.23 -1.18 118.16 116.75 1xfu n LYS 719 Ca 0.19 0.24 0.38 0.00 -2.02 0.00 0.00 58.31 57.10 1xfu n LYS 719 Cb 0.56 -0.95 0.59 0.00 -0.02 0.00 0.00 35.03 35.21 1xfu n LYS 719 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1xfu n ILE 720 N -1.23 -0.02 -0.03 -0.18 0.13 0.11 0.15 119.36 118.29 1xfu n ILE 720 Ca 0.00 1.12 -0.19 0.00 -1.10 0.00 0.00 62.75 62.58 1xfu n ILE 720 Cb 0.00 -1.86 -0.13 0.00 -0.84 0.00 0.00 39.64 36.81 1xfu n ILE 720 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1xfu h SER 721 N 0.00 0.21 -0.28 9.51 0.02 -1.21 -1.93 113.55 119.88 1xfu h SER 721 Ca 0.68 -0.87 0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1xfu h SER 721 Cb 2.68 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 65.14 1xfu h SER 721 CO -0.05 1.33 0.30 0.40 -1.14 0.00 0.00 176.83 177.67 1xfu h ILE 722 N -0.67 0.45 0.00 3.27 2.04 0.30 1.01 117.51 123.90 1xfu h ILE 722 Ca -0.17 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 1xfu h ILE 722 Cb 1.40 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1xfu h ILE 722 CO 0.02 0.00 -0.37 0.15 0.00 0.00 0.00 178.15 177.95 1xfu h PHE 723 N 0.00 0.00 -0.95 1.37 3.57 -1.24 -0.94 116.94 118.74 1xfu h PHE 723 Ca 0.13 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.84 1xfu h PHE 723 Cb 0.73 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.39 1xfu h PHE 723 CO 0.00 0.69 0.61 0.00 -2.23 0.00 0.00 178.31 177.38 1xfu h ARG 724 N -1.00 0.52 0.42 1.11 2.47 -0.78 0.49 114.38 117.61 1xfu h ARG 724 Ca -0.08 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 1xfu h ARG 724 Cb 0.73 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1xfu h ARG 724 CO -0.05 0.35 -0.20 0.78 0.56 0.00 0.00 179.97 181.40 1xfu h GLY 725 N 0.54 -0.59 -0.57 0.04 0.00 0.99 -2.77 103.07 100.69 1xfu h GLY 725 Ca 0.52 0.22 0.19 0.00 0.00 0.00 0.00 47.33 48.26 1xfu h GLY 725 CO -0.25 -0.21 -0.06 -2.22 0.00 0.00 0.00 176.54 173.79 1xfu h ILE 726 N -0.59 0.22 -0.77 2.60 2.04 0.47 0.49 117.51 121.96 1xfu h ILE 726 Ca -0.06 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 65.93 1xfu h ILE 726 Cb 0.43 0.17 -0.14 0.00 -0.74 0.00 0.00 36.82 36.54 1xfu h ILE 726 CO 0.10 0.01 -0.25 1.56 0.00 0.00 0.00 178.15 179.56 1xfu h GLN 727 N 0.05 -0.04 0.70 2.37 4.20 -0.06 0.79 115.11 123.11 1xfu h GLN 727 Ca 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.12 1xfu h GLN 727 Cb 0.78 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 1xfu h GLN 727 CO -0.78 -0.02 -0.41 0.00 -0.67 0.00 0.00 178.83 176.94 1xfu h ALA 728 N 1.56 -1.23 -1.38 3.87 0.00 0.24 -2.49 119.26 119.83 1xfu h ALA 728 Ca 0.34 -0.22 0.43 0.00 0.00 0.00 0.00 54.91 55.47 1xfu h ALA 728 Cb 0.58 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 1xfu h ALA 728 CO -0.81 -1.19 0.92 -0.92 0.00 0.00 0.00 179.25 177.25 1xfu h TYR 729 N -1.04 0.41 0.00 0.00 3.20 -0.49 -2.46 116.97 116.60 1xfu h TYR 729 Ca -0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1xfu h TYR 729 Cb 0.82 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1xfu h TYR 729 CO -0.05 -0.13 0.00 -1.71 -1.64 0.00 0.00 178.16 174.63 1xfu n ASN 730 N -4.52 0.00 0.18 -2.11 2.85 0.16 -1.67 115.26 110.14 1xfu n ASN 730 Ca 0.36 0.68 0.03 0.00 -0.11 0.00 0.00 54.58 55.54 1xfu n ASN 730 Cb 1.45 -0.28 0.17 0.00 1.24 0.00 0.00 39.78 42.35 1xfu n ASN 730 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xfu h GLU 731 N 0.00 0.00 0.02 1.20 4.39 -1.33 2.45 114.58 121.30 1xfu h GLU 731 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1xfu h GLU 731 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xfu h GLU 731 CO 0.00 0.00 -0.13 0.82 -1.16 0.00 0.00 179.01 178.54 1xfu h ILE 732 N 0.00 1.72 -0.94 3.13 1.08 -1.26 -2.26 117.51 118.97 1xfu h ILE 732 Ca 0.00 -2.27 0.12 0.00 -0.39 0.00 0.00 64.86 62.32 1xfu h ILE 732 Cb 1.14 3.24 -0.08 0.00 -3.07 0.00 0.00 36.82 38.06 1xfu h ILE 732 CO 0.00 0.60 0.57 -0.08 -0.69 0.00 0.00 178.15 178.55 1xfu h GLU 733 N -0.84 0.88 0.34 2.37 4.57 0.50 0.12 114.58 122.52 1xfu h GLU 733 Ca -0.02 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1xfu h GLU 733 Cb 1.05 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1xfu h GLU 733 CO 0.02 0.58 -0.33 -0.97 -1.18 0.00 0.00 179.01 177.14 1xfu h ASN 734 N 0.91 -0.90 -0.86 1.04 -1.24 -0.86 -2.34 115.58 111.33 1xfu h ASN 734 Ca 0.47 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.56 1xfu h ASN 734 Cb 0.47 0.29 -0.04 0.00 0.73 0.00 0.00 38.32 39.77 1xfu h ASN 734 CO -0.27 -0.44 0.56 0.58 -1.29 0.00 0.00 177.43 176.58 1xfu h VAL 735 N -0.67 1.20 -0.01 2.57 2.07 -1.04 -1.46 116.25 118.91 1xfu h VAL 735 Ca -0.04 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1xfu h VAL 735 Cb 0.57 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1xfu h VAL 735 CO -0.03 0.21 0.29 0.25 0.02 0.00 0.00 177.57 178.30 1xfu h LEU 736 N 1.14 0.00 -3.06 2.57 5.85 -0.82 0.74 115.31 121.74 1xfu h LEU 736 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1xfu h LEU 736 Cb -0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1xfu h LEU 736 CO -0.08 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.31 1xfu n LYS 737 N -2.95 2.23 0.00 1.25 4.76 -0.60 -4.97 118.16 117.88 1xfu n LYS 737 Ca -0.02 -2.38 0.00 0.00 -2.87 0.00 0.00 58.31 53.04 1xfu n LYS 737 Cb 0.34 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 1xfu n LYS 737 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xfu n SER 738 N -0.79 0.00 -0.93 4.39 2.88 0.26 -5.04 113.62 114.39 1xfu n SER 738 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1xfu n SER 738 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1xfu n SER 738 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xfu n LYS 739 N -0.51 0.09 -1.55 -1.46 4.81 -1.26 -5.04 118.16 113.24 1xfu n LYS 739 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1xfu n LYS 739 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1xfu n LYS 739 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xfu n GLN 740 N 0.00 2.15 -2.16 1.64 1.13 -1.26 -4.90 117.38 113.98 1xfu n GLN 740 Ca 0.00 -2.29 -0.42 0.00 -1.94 0.00 0.00 57.00 52.35 1xfu n GLN 740 Cb 0.00 -3.17 -0.03 0.00 0.11 0.00 0.00 30.24 27.15 1xfu n GLN 740 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1xfu s ILE 741 N 4.71 3.31 0.16 5.09 -4.36 -1.26 -4.87 121.20 123.98 1xfu s ILE 741 Ca 0.54 0.92 -0.26 0.00 -0.26 0.00 0.00 60.65 61.60 1xfu s ILE 741 Cb 0.12 -3.59 -0.15 0.00 1.25 0.00 0.00 42.46 40.09 1xfu s ILE 741 CO 0.04 0.06 0.49 0.00 0.24 0.00 0.00 174.94 175.78 1xfu n ALA 742 N 4.10 -2.71 0.05 2.27 0.00 -1.26 -4.50 120.51 118.46 1xfu n ALA 742 Ca 0.12 0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.98 1xfu n ALA 742 Cb 0.42 -1.43 0.15 0.00 0.00 0.00 0.00 19.45 18.58 1xfu n ALA 742 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xfu n PRO 743 N 0.92 0.04 0.06 0.00 -0.04 -1.26 -0.89 135.00 133.83 1xfu n PRO 743 Ca 0.16 0.47 -0.21 0.00 -0.04 0.00 0.00 63.50 63.88 1xfu n PRO 743 Cb 0.21 -1.72 -0.13 0.00 -0.04 0.00 0.00 33.50 31.82 1xfu n PRO 743 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1xfu h GLU 744 N 0.00 0.49 0.00 0.54 9.09 -2.01 -3.00 114.58 119.69 1xfu h GLU 744 Ca 0.00 -0.66 -0.15 0.00 0.05 0.00 0.00 59.36 58.59 1xfu h GLU 744 Cb 0.20 0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 27.50 1xfu h GLU 744 CO 0.00 1.28 -0.73 1.88 0.05 0.00 0.00 179.01 181.49 1xfu h TYR 745 N 0.01 0.00 -0.12 2.06 -1.99 -1.32 -2.92 116.97 112.69 1xfu h TYR 745 Ca -0.15 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.62 1xfu h TYR 745 Cb 1.71 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 40.38 1xfu h TYR 745 CO 0.15 0.73 -0.38 -0.22 -0.00 0.00 0.00 178.16 178.44 1xfu h LYS 746 N 0.00 -0.44 0.73 4.88 3.64 -1.24 -0.96 116.57 123.17 1xfu h LYS 746 Ca -0.01 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1xfu h LYS 746 Cb 1.37 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 1xfu h LYS 746 CO 0.10 -0.30 -0.48 -0.91 -2.27 0.00 0.00 179.45 175.59 1xfu h ASN 747 N -0.46 -1.24 -0.57 4.20 -0.26 -1.52 -1.09 115.58 114.64 1xfu h ASN 747 Ca 0.08 0.07 0.05 0.00 -0.56 0.00 0.00 56.30 55.95 1xfu h ASN 747 Cb 0.60 0.37 -0.07 0.00 -1.06 0.00 0.00 38.32 38.16 1xfu h ASN 747 CO -0.38 -0.73 -0.34 0.00 -1.06 0.00 0.00 177.43 174.93 1xfu n TYR 748 N -5.61 -0.25 -0.30 1.19 9.36 -1.09 0.18 117.16 120.65 1xfu n TYR 748 Ca -0.14 0.71 0.11 0.00 3.32 0.00 0.00 57.90 61.90 1xfu n TYR 748 Cb 0.49 -0.53 0.27 0.00 -0.63 0.00 0.00 39.34 38.93 1xfu n TYR 748 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1xfu h PHE 749 N 0.00 0.64 -0.02 2.98 0.04 -1.10 1.91 116.94 121.39 1xfu h PHE 749 Ca 0.09 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.91 1xfu h PHE 749 Cb 0.23 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1xfu h PHE 749 CO -0.93 0.01 0.02 1.96 -0.60 0.00 0.00 178.31 178.77 1xfu h GLN 750 N 0.45 0.00 0.03 1.51 1.08 0.32 0.16 115.11 118.67 1xfu h GLN 750 Ca 0.52 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.62 1xfu h GLN 750 Cb 0.91 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1xfu h GLN 750 CO -0.48 0.00 -0.46 -0.92 -0.95 0.00 0.00 178.83 176.03 1xfu h TYR 751 N 0.00 0.12 0.00 2.96 3.20 0.64 -3.22 116.97 120.68 1xfu h TYR 751 Ca 0.01 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1xfu h TYR 751 Cb 0.05 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1xfu h TYR 751 CO 0.00 1.18 0.11 -0.07 -1.64 0.00 0.00 178.16 177.74 1xfu h LEU 752 N -0.84 0.00 0.09 2.82 3.38 0.15 -2.10 115.31 118.80 1xfu h LEU 752 Ca -0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xfu h LEU 752 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1xfu h LEU 752 CO -0.01 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.59 1xfu h LYS 753 N 0.00 -0.11 -1.05 1.13 1.57 -1.03 -3.03 116.57 114.05 1xfu h LYS 753 Ca 0.00 0.01 0.33 0.00 -1.87 0.00 0.00 60.65 59.12 1xfu h LYS 753 Cb 0.23 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.42 1xfu h LYS 753 CO 0.00 -0.07 0.62 1.49 -0.57 0.00 0.00 179.45 180.92 1xfu h GLU 754 N -0.84 0.30 0.00 3.15 4.81 -1.41 0.17 114.58 120.76 1xfu h GLU 754 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1xfu h GLU 754 Cb 0.09 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xfu h GLU 754 CO 0.02 0.20 0.00 0.54 -0.73 0.00 0.00 179.01 179.04 1xfu n ARG 755 N -4.95 0.00 -0.30 1.92 5.12 -0.90 0.03 116.66 117.59 1xfu n ARG 755 Ca 0.32 0.36 -0.04 0.00 -1.93 0.00 0.00 57.85 56.56 1xfu n ARG 755 Cb 1.02 -1.23 -0.01 0.00 -1.16 0.00 0.00 32.46 31.08 1xfu n ARG 755 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1xfu n ILE 756 N -1.38 -0.44 0.00 0.55 2.08 -0.27 0.10 119.36 119.99 1xfu n ILE 756 Ca 0.00 1.76 0.00 0.00 0.56 0.00 0.00 62.75 65.07 1xfu n ILE 756 Cb 0.00 -2.26 0.00 0.00 -0.75 0.00 0.00 39.64 36.63 1xfu n ILE 756 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1xfu n THR 757 N -5.02 0.00 -0.35 1.39 -1.04 0.42 -0.03 114.28 109.65 1xfu n THR 757 Ca 0.05 1.47 0.26 0.00 -2.04 0.00 0.00 64.05 63.79 1xfu n THR 757 Cb 0.25 -2.11 0.50 0.00 -1.82 0.00 0.00 70.33 67.16 1xfu n THR 757 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xfu h ASN 758 N 0.00 0.47 -0.25 8.00 2.35 0.36 0.32 115.58 126.83 1xfu h ASN 758 Ca 0.00 0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 1xfu h ASN 758 Cb 0.00 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1xfu h ASN 758 CO 0.00 -0.11 -0.26 -0.61 -1.65 0.00 0.00 177.43 174.80 1xfu h GLN 759 N 0.30 0.74 0.01 0.81 5.75 0.15 -1.95 115.11 120.93 1xfu h GLN 759 Ca 0.73 -0.31 -0.20 0.00 -0.15 0.00 0.00 58.65 58.71 1xfu h GLN 759 Cb 1.78 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 30.28 1xfu h GLN 759 CO -0.54 0.92 -0.96 0.28 -2.65 0.00 0.00 178.83 175.88 1xfu h VAL 760 N 0.64 1.66 -0.23 2.39 2.07 0.33 -2.23 116.25 120.87 1xfu h VAL 760 Ca 0.08 -3.21 -0.02 0.00 0.82 0.00 0.00 66.70 64.37 1xfu h VAL 760 Cb 0.77 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1xfu h VAL 760 CO 0.06 0.92 0.08 -0.61 0.02 0.00 0.00 177.57 178.04 1xfu h GLN 761 N 0.01 0.36 0.20 1.57 5.75 -1.01 -1.09 115.11 120.90 1xfu h GLN 761 Ca -0.02 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1xfu h GLN 761 Cb 1.69 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 30.14 1xfu h GLN 761 CO 0.13 0.43 -0.51 1.25 -2.65 0.00 0.00 178.83 177.48 1xfu h LEU 762 N 0.22 -1.51 -1.85 -2.39 5.85 -1.31 0.28 115.31 114.60 1xfu h LEU 762 Ca 0.08 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1xfu h LEU 762 Cb 0.21 0.55 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1xfu h LEU 762 CO -0.00 -0.57 0.17 -0.07 -0.34 0.00 0.00 178.44 177.63 1xfu h LEU 763 N -0.79 0.00 0.00 2.25 3.38 -1.27 -1.78 115.31 117.11 1xfu h LEU 763 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1xfu h LEU 763 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1xfu h LEU 763 CO -0.23 0.00 -0.48 -0.07 0.09 0.00 0.00 178.44 177.75 1xfu h LEU 764 N 0.00 0.00 0.00 1.67 3.38 0.42 -3.33 115.31 117.46 1xfu h LEU 764 Ca 0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1xfu h LEU 764 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xfu h LEU 764 CO 0.00 0.95 0.00 0.35 0.09 0.00 0.00 178.44 179.83 1xfu n THR 765 N -4.60 0.00 0.66 0.22 -2.24 0.76 0.99 114.28 110.06 1xfu n THR 765 Ca -0.13 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1xfu n THR 765 Cb 0.37 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.07 1xfu n THR 765 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1xfu n HIS 766 N -0.51 0.08 0.00 4.78 8.25 -1.04 -4.93 115.22 121.85 1xfu n HIS 766 Ca 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1xfu n HIS 766 Cb 0.00 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1xfu n HIS 766 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1xfu n GLN 767 N -1.80 0.00 -3.70 -0.41 7.27 0.28 -5.02 117.38 113.99 1xfu n GLN 767 Ca 0.02 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.72 1xfu n GLN 767 Cb 0.41 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.97 1xfu n GLN 767 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1xfu s LYS 768 N 0.00 2.47 -0.35 3.69 -0.14 -1.23 -5.06 119.74 119.12 1xfu s LYS 768 Ca 0.00 -2.30 0.03 0.00 -1.36 0.00 0.00 55.97 52.34 1xfu s LYS 768 Cb 0.00 -3.75 0.10 0.00 -1.68 0.00 0.00 37.83 32.51 1xfu s LYS 768 CO 0.00 -1.16 0.08 0.45 -0.76 0.00 0.00 175.35 173.96 1xfu s SER 769 N 1.19 4.57 0.00 2.83 0.15 -1.26 -4.53 113.70 116.65 1xfu s SER 769 Ca 0.14 -2.15 0.00 0.00 0.70 0.00 0.00 55.95 54.64 1xfu s SER 769 Cb -0.21 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1xfu s SER 769 CO -0.04 -0.37 0.00 -3.20 1.20 0.00 0.00 173.24 170.83 1xfu n ASN 770 N 4.24 0.72 -4.68 5.45 4.05 -1.26 -4.98 115.26 118.81 1xfu n ASN 770 Ca 0.03 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.63 1xfu n ASN 770 Cb 0.41 0.10 -0.02 0.00 1.23 0.00 0.00 39.78 41.49 1xfu n ASN 770 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1xfu s ILE 771 N -0.84 4.60 -0.10 -1.44 -1.09 -1.26 -5.03 121.20 116.04 1xfu s ILE 771 Ca 0.00 1.90 -0.13 0.00 -2.23 0.00 0.00 60.65 60.19 1xfu s ILE 771 Cb 0.00 -4.22 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1xfu s ILE 771 CO 0.00 -0.07 0.32 -1.61 -1.23 0.00 0.00 174.94 172.35 1xfu s GLU 772 N 2.60 4.01 0.21 2.79 2.02 -1.26 -4.93 118.70 124.13 1xfu s GLU 772 Ca 0.49 0.19 -0.14 0.00 0.02 0.00 0.00 54.97 55.52 1xfu s GLU 772 Cb -0.19 -3.32 0.24 0.00 0.10 0.00 0.00 34.13 30.97 1xfu s GLU 772 CO 0.15 0.48 1.39 0.34 0.02 0.00 0.00 175.26 177.63 1xfu n PHE 773 N 2.71 0.07 -0.34 1.61 7.35 -1.26 0.32 117.46 127.92 1xfu n PHE 773 Ca -0.14 1.10 0.15 0.00 -0.76 0.00 0.00 57.45 57.80 1xfu n PHE 773 Cb 0.53 -0.86 0.36 0.00 0.35 0.00 0.00 39.48 39.86 1xfu n PHE 773 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1xfu h LYS 774 N 0.00 0.67 0.00 -4.13 3.64 -1.99 -1.02 116.57 113.73 1xfu h LYS 774 Ca 0.33 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1xfu h LYS 774 Cb 0.55 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1xfu h LYS 774 CO -0.89 0.44 -0.15 -0.07 -2.27 0.00 0.00 179.45 176.51 1xfu h LEU 775 N 0.69 0.12 -1.99 5.20 3.38 -0.53 -3.24 115.31 118.94 1xfu h LEU 775 Ca 0.58 -0.80 0.18 0.00 0.09 0.00 0.00 57.88 57.93 1xfu h LEU 775 Cb 1.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1xfu h LEU 775 CO -0.36 0.91 0.45 0.25 0.09 0.00 0.00 178.44 179.78 1xfu h LEU 776 N -0.65 0.00 0.44 1.67 6.46 -0.65 -2.71 115.31 119.88 1xfu h LEU 776 Ca -0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 1xfu h LEU 776 Cb 0.94 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1xfu h LEU 776 CO 0.03 0.00 -0.21 0.22 -0.62 0.00 0.00 178.44 177.86 1xfu h TYR 777 N 0.01 -0.54 -0.16 1.25 3.20 -1.23 -3.27 116.97 116.22 1xfu h TYR 777 Ca 0.30 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 1xfu h TYR 777 Cb 1.20 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.63 1xfu h TYR 777 CO -0.00 -0.34 -0.10 1.63 -1.64 0.00 0.00 178.16 177.71 1xfu n LYS 778 N -3.78 -0.07 0.00 1.82 4.76 -1.02 0.19 118.16 120.05 1xfu n LYS 778 Ca -0.07 0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1xfu n LYS 778 Cb 0.23 -0.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.83 1xfu n LYS 778 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1xfu n GLN 779 N -3.40 0.00 -3.64 1.97 6.02 -1.23 -4.67 117.38 112.42 1xfu n GLN 779 Ca 0.00 0.07 -0.28 0.00 -0.01 0.00 0.00 57.00 56.79 1xfu n GLN 779 Cb 0.04 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 1xfu n GLN 779 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xfu s LEU 780 N -1.75 4.20 -0.62 1.08 2.01 0.13 -4.98 118.68 118.76 1xfu s LEU 780 Ca 0.00 0.45 0.04 0.00 0.01 0.00 0.00 54.13 54.64 1xfu s LEU 780 Cb 0.00 -3.23 0.15 0.00 0.01 0.00 0.00 46.19 43.13 1xfu s LEU 780 CO 0.00 -0.06 0.40 0.21 1.01 0.00 0.00 176.35 177.90 1xfu s ASN 781 N -3.14 4.45 -0.27 2.29 3.04 -1.26 -4.95 114.94 115.10 1xfu s ASN 781 Ca 0.39 -3.48 0.01 0.00 0.04 0.00 0.00 52.86 49.83 1xfu s ASN 781 Cb -0.11 -1.55 0.32 0.00 -1.54 0.00 0.00 41.25 38.37 1xfu s ASN 781 CO 0.29 -0.15 1.65 0.49 -3.04 0.00 0.00 177.10 176.34 1xfu n PHE 782 N 2.47 1.66 0.00 0.43 3.01 -1.26 -4.70 117.46 119.06 1xfu n PHE 782 Ca 0.15 -1.48 0.00 0.00 1.01 0.00 0.00 57.45 57.13 1xfu n PHE 782 Cb 0.35 -0.74 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 1xfu n PHE 782 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1xfu n THR 783 N -0.19 0.00 -0.09 4.37 -1.04 -1.26 -4.94 114.28 111.13 1xfu n THR 783 Ca 0.32 0.09 -0.17 0.00 -2.04 0.00 0.00 64.05 62.25 1xfu n THR 783 Cb 0.96 -0.60 -0.06 0.00 -1.82 0.00 0.00 70.33 68.81 1xfu n THR 783 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1xfu n GLU 784 N 0.00 0.41 -3.06 -2.82 0.28 -1.26 -5.01 120.64 109.17 1xfu n GLU 784 Ca 0.00 0.17 -0.34 0.00 -0.16 0.00 0.00 57.16 56.84 1xfu n GLU 784 Cb 0.00 -1.19 -0.06 0.00 1.43 0.00 0.00 31.44 31.62 1xfu n GLU 784 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xfu s ASN 785 N -6.55 6.90 -0.03 -1.84 2.20 -1.26 -4.98 114.94 109.37 1xfu s ASN 785 Ca -0.26 1.41 0.04 0.00 -0.94 0.00 0.00 52.86 53.11 1xfu s ASN 785 Cb 0.09 -2.42 -0.06 0.00 -2.00 0.00 0.00 41.25 36.86 1xfu s ASN 785 CO 0.34 -0.16 0.04 1.21 -2.94 0.00 0.00 177.10 175.58 1xfu n GLU 786 N -0.10 2.41 0.00 3.55 4.07 -1.26 -4.74 120.64 124.57 1xfu n GLU 786 Ca 0.03 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1xfu n GLU 786 Cb 0.53 -1.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.80 1xfu n GLU 786 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1xfu n THR 787 N -2.02 0.00 -0.25 6.31 -2.24 -1.26 -2.87 114.28 111.96 1xfu n THR 787 Ca -0.05 0.20 0.30 0.00 -2.27 0.00 0.00 64.05 62.23 1xfu n THR 787 Cb 0.49 -0.62 0.70 0.00 -2.10 0.00 0.00 70.33 68.80 1xfu n THR 787 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1xfu h ASP 788 N 0.00 0.06 -0.73 3.42 2.03 -1.99 -2.11 116.42 117.10 1xfu h ASP 788 Ca 0.00 0.01 0.12 0.00 -0.73 0.00 0.00 57.03 56.43 1xfu h ASP 788 Cb 0.00 -0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.38 1xfu h ASP 788 CO 0.00 0.02 -0.27 -3.20 -1.03 0.00 0.00 179.24 174.76 1xfu n ASN 789 N -4.28 -0.44 -0.09 4.15 2.85 -1.14 0.19 115.26 116.50 1xfu n ASN 789 Ca 0.22 1.27 -0.11 0.00 -0.11 0.00 0.00 54.58 55.85 1xfu n ASN 789 Cb 1.05 -0.31 -0.04 0.00 1.24 0.00 0.00 39.78 41.73 1xfu n ASN 789 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1xfu h PHE 790 N 0.00 0.51 -0.83 1.20 3.57 -1.44 0.26 116.94 120.20 1xfu h PHE 790 Ca 0.27 -0.09 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1xfu h PHE 790 Cb 0.45 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 1xfu h PHE 790 CO -0.63 0.62 0.54 0.93 -2.23 0.00 0.00 178.31 177.54 1xfu h GLU 791 N 0.25 0.66 0.36 1.11 5.08 0.71 0.36 114.58 123.11 1xfu h GLU 791 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1xfu h GLU 791 Cb 0.41 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xfu h GLU 791 CO 0.01 0.44 -0.17 0.28 -1.00 0.00 0.00 179.01 178.57 1xfu h VAL 792 N 0.68 0.00 -0.79 3.13 2.07 0.29 -2.88 116.25 118.75 1xfu h VAL 792 Ca 0.40 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 68.06 1xfu h VAL 792 Cb 0.61 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.23 1xfu h VAL 792 CO -0.17 0.00 -0.06 0.33 0.02 0.00 0.00 177.57 177.69 1xfu n PHE 793 N -3.46 0.42 0.00 1.57 7.35 0.83 -0.82 117.46 123.35 1xfu n PHE 793 Ca -0.06 0.96 0.00 0.00 -0.76 0.00 0.00 57.45 57.59 1xfu n PHE 793 Cb 0.19 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 38.98 1xfu n PHE 793 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1xfu n GLN 794 N -5.18 0.00 -0.33 -4.13 0.00 0.11 -1.75 117.38 106.11 1xfu n GLN 794 Ca 0.16 0.37 0.28 0.00 -0.00 0.00 0.00 57.00 57.81 1xfu n GLN 794 Cb 0.53 -1.07 0.52 0.00 0.00 0.00 0.00 30.24 30.21 1xfu n GLN 794 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1xfu h LYS 795 N 0.00 0.04 -0.13 3.69 1.57 -0.85 1.50 116.57 122.38 1xfu h LYS 795 Ca 0.00 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1xfu h LYS 795 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xfu h LYS 795 CO 0.00 0.02 0.32 0.82 -0.57 0.00 0.00 179.45 180.04 1xfu h ILE 796 N 0.04 0.16 -1.53 1.86 1.08 -0.12 -1.82 117.51 117.17 1xfu h ILE 796 Ca 0.79 0.00 -0.61 0.00 -0.39 0.00 0.00 64.86 64.65 1xfu h ILE 796 Cb 1.99 0.71 -0.40 0.00 -3.07 0.00 0.00 36.82 36.05 1xfu h ILE 796 CO -0.78 0.00 -0.47 2.30 -0.69 0.00 0.00 178.15 178.51 1xfu n ILE 797 N -3.24 2.57 -1.18 -0.67 -5.35 0.51 -5.07 119.36 106.94 1xfu n ILE 797 Ca 0.01 -4.78 0.00 0.00 -0.27 0.00 0.00 62.75 57.71 1xfu n ILE 797 Cb 0.41 -1.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 1xfu n ILE 797 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26