#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfx n ASN 65 N 0.00 -7.79 -0.28 6.41 4.13 -1.26 -4.89 115.26 111.58 1xfx n ASN 65 Ca 0.00 0.85 0.08 0.00 1.68 0.00 0.00 54.58 57.19 1xfx n ASN 65 Cb 0.00 -4.97 0.23 0.00 -1.54 0.00 0.00 39.78 33.50 1xfx n ASN 65 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1xfx h LEU 66 N 2.51 0.36 -9.51 3.41 5.85 -1.96 -3.43 115.31 112.54 1xfx h LEU 66 Ca -0.04 0.12 -0.64 0.00 0.84 0.00 0.00 57.88 58.16 1xfx h LEU 66 Cb 0.63 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1xfx h LEU 66 CO 0.15 0.11 -0.44 0.54 -0.34 0.00 0.00 178.44 178.46 1xfx s VAL 67 N -5.97 5.41 -0.16 1.05 0.11 -1.26 0.85 120.40 120.44 1xfx s VAL 67 Ca -0.12 0.30 0.01 0.00 -2.93 0.00 0.00 61.98 59.24 1xfx s VAL 67 Cb 0.22 -3.47 0.02 0.00 -1.53 0.00 0.00 36.38 31.62 1xfx s VAL 67 CO 0.77 0.54 -0.17 -0.54 -3.33 0.00 0.00 175.10 172.37 1xfx s LYS 68 N -0.51 2.64 -0.38 1.54 3.01 -0.32 -4.93 119.74 120.79 1xfx s LYS 68 Ca 0.14 -0.70 -0.14 0.00 -1.01 0.00 0.00 55.97 54.26 1xfx s LYS 68 Cb -0.12 -2.30 0.00 0.00 -1.01 0.00 0.00 37.83 34.40 1xfx s LYS 68 CO 0.03 -0.18 0.30 0.95 0.51 0.00 0.00 175.35 176.95 1xfx s THR 69 N 1.29 5.25 0.00 2.17 -4.23 -1.26 -1.48 115.64 117.37 1xfx s THR 69 Ca 0.03 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1xfx s THR 69 Cb -0.13 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1xfx s THR 69 CO -0.10 -0.19 0.22 1.21 -0.54 0.00 0.00 174.62 175.22 1xfx n GLU 70 N 5.20 0.00 -3.21 3.99 4.07 0.32 -4.73 120.64 126.27 1xfx n GLU 70 Ca -0.11 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.59 1xfx n GLU 70 Cb 0.48 -0.67 -0.07 0.00 -0.06 0.00 0.00 31.44 31.12 1xfx n GLU 70 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1xfx s PHE 71 N -0.45 3.26 -0.80 4.31 5.99 -1.26 -4.93 117.98 124.10 1xfx s PHE 71 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 56.93 57.52 1xfx s PHE 71 Cb 0.00 -2.78 0.22 0.00 0.00 0.00 0.00 43.02 40.47 1xfx s PHE 71 CO 0.00 -0.32 2.30 0.25 -0.00 0.00 0.00 175.22 177.44 1xfx n THR 72 N 5.21 4.07 -0.05 0.12 -2.24 -1.26 -4.59 114.28 115.54 1xfx n THR 72 Ca -0.03 -4.11 -0.01 0.00 -2.27 0.00 0.00 64.05 57.63 1xfx n THR 72 Cb 0.49 -1.50 -0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1xfx n THR 72 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1xfx h ASN 73 N 3.36 0.00 -4.12 3.42 -1.24 -2.00 -3.46 115.58 111.54 1xfx h ASN 73 Ca 0.52 0.00 -0.49 0.00 0.71 0.00 0.00 56.30 57.04 1xfx h ASN 73 Cb 0.33 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.45 1xfx h ASN 73 CO 1.21 0.47 0.40 -1.61 -1.29 0.00 0.00 177.43 176.62 1xfx s GLU 74 N -1.60 3.39 0.00 6.67 8.01 -1.26 -5.01 118.70 128.90 1xfx s GLU 74 Ca -0.03 1.43 0.00 0.00 0.01 0.00 0.00 54.97 56.38 1xfx s GLU 74 Cb 0.00 -2.03 0.00 0.00 -4.31 0.00 0.00 34.13 27.80 1xfx s GLU 74 CO 0.04 -0.78 0.00 0.25 0.01 0.00 0.00 175.26 174.78 1xfx n THR 75 N -1.51 0.00 -0.34 3.63 -2.24 -1.26 -4.37 114.28 108.20 1xfx n THR 75 Ca 0.10 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.10 1xfx n THR 75 Cb 0.52 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.16 1xfx n THR 75 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xfx n LEU 76 N 0.00 0.07 -0.17 3.22 7.99 -1.26 -1.20 117.00 125.65 1xfx n LEU 76 Ca 0.00 1.68 0.01 0.00 -0.01 0.00 0.00 56.01 57.69 1xfx n LEU 76 Cb 0.00 -0.70 0.04 0.00 -0.11 0.00 0.00 43.42 42.65 1xfx n LEU 76 CO 0.00 -1.78 0.29 0.47 -1.51 0.00 0.00 177.39 174.86 1xfx n ASP 77 N -5.41 -0.24 0.24 -1.43 10.43 -1.26 0.45 116.55 119.33 1xfx n ASP 77 Ca 0.29 0.81 -0.12 0.00 2.57 0.00 0.00 54.79 58.34 1xfx n ASP 77 Cb 0.98 -0.21 -0.06 0.00 1.84 0.00 0.00 41.12 43.66 1xfx n ASP 77 CO 0.00 0.00 0.00 0.50 -1.07 0.00 0.00 177.20 176.63 1xfx h LYS 78 N 0.00 -0.64 0.24 -1.24 1.63 -1.36 -3.11 116.57 112.09 1xfx h LYS 78 Ca 0.19 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 1xfx h LYS 78 Cb 0.31 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1xfx h LYS 78 CO -0.47 -0.35 -0.23 0.82 -3.45 0.00 0.00 179.45 175.76 1xfx h ILE 79 N -1.08 0.00 0.00 2.00 2.04 0.53 -1.11 117.51 119.88 1xfx h ILE 79 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1xfx h ILE 79 Cb 0.58 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1xfx h ILE 79 CO 0.11 0.00 0.00 1.67 0.00 0.00 0.00 178.15 179.93 1xfx n GLN 80 N -3.74 0.00 0.00 2.37 -0.06 1.55 0.71 117.38 118.22 1xfx n GLN 80 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 1xfx n GLN 80 Cb 0.21 -0.89 0.00 0.00 -4.06 0.00 0.00 30.24 25.50 1xfx n GLN 80 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1xfx n GLN 81 N 0.32 0.00 -0.11 3.69 7.27 -0.58 -4.38 117.38 123.59 1xfx n GLN 81 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 1xfx n GLN 81 Cb 0.00 -0.40 0.01 0.00 2.41 0.00 0.00 30.24 32.26 1xfx n GLN 81 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1xfx h THR 82 N 0.00 0.97 0.16 1.69 1.35 0.15 0.24 112.91 117.47 1xfx h THR 82 Ca 0.00 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1xfx h THR 82 Cb 0.77 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1xfx h THR 82 CO 0.00 0.07 -0.17 1.56 -0.25 0.00 0.00 175.52 176.73 1xfx h GLN 83 N 0.38 -0.32 -1.10 4.72 4.20 -1.46 -0.69 115.11 120.84 1xfx h GLN 83 Ca 0.16 0.02 0.42 0.00 0.06 0.00 0.00 58.65 59.31 1xfx h GLN 83 Cb 0.07 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 27.78 1xfx h GLN 83 CO -0.12 -0.21 0.66 -0.25 -0.67 0.00 0.00 178.83 178.24 1xfx n ASP 84 N -3.38 0.26 0.37 1.46 9.92 -1.07 0.18 116.55 124.30 1xfx n ASP 84 Ca -0.04 1.42 -0.17 0.00 -0.53 0.00 0.00 54.79 55.47 1xfx n ASP 84 Cb 0.16 -0.69 -0.08 0.00 -0.64 0.00 0.00 41.12 39.86 1xfx n ASP 84 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1xfx h LEU 85 N 0.00 -0.81 -0.81 0.64 5.85 0.48 -3.32 115.31 117.35 1xfx h LEU 85 Ca 0.80 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.40 1xfx h LEU 85 Cb 2.36 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 43.58 1xfx h LEU 85 CO -0.58 -0.48 -0.43 -0.07 -0.34 0.00 0.00 178.44 176.54 1xfx h LEU 86 N -1.12 0.38 -0.53 2.25 3.38 0.83 -2.99 115.31 117.52 1xfx h LEU 86 Ca -0.10 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xfx h LEU 86 Cb 0.76 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1xfx h LEU 86 CO 0.16 0.77 0.00 2.29 0.09 0.00 0.00 178.44 181.75 1xfx n LYS 87 N -4.01 0.06 -0.01 1.13 2.85 0.06 -1.08 118.16 117.17 1xfx n LYS 87 Ca -0.02 0.52 -0.10 0.00 -1.05 0.00 0.00 58.31 57.67 1xfx n LYS 87 Cb 0.51 -1.68 -0.14 0.00 -0.65 0.00 0.00 35.03 33.07 1xfx n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1xfx h LYS 88 N 0.00 0.03 -6.31 -1.58 3.11 -1.63 -3.46 116.57 106.73 1xfx h LYS 88 Ca 0.00 -0.05 -0.55 0.00 -2.81 0.00 0.00 60.65 57.24 1xfx h LYS 88 Cb 0.05 0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.26 1xfx h LYS 88 CO 0.00 0.61 0.44 0.42 -2.81 0.00 0.00 179.45 178.12 1xfx s ILE 89 N -2.61 4.84 0.03 2.00 1.01 -0.24 -4.98 121.20 121.25 1xfx s ILE 89 Ca -0.05 2.01 -0.33 0.00 0.00 0.00 0.00 60.65 62.27 1xfx s ILE 89 Cb 0.08 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.13 1xfx s ILE 89 CO 0.82 0.09 1.78 -0.81 0.00 0.00 0.00 174.94 176.83 1xfx n PRO 90 N 4.41 2.29 -0.41 2.79 -0.04 -1.26 -4.84 135.00 137.94 1xfx n PRO 90 Ca 0.07 0.83 0.33 0.00 -0.04 0.00 0.00 63.50 64.69 1xfx n PRO 90 Cb 0.50 -2.67 0.54 0.00 -0.04 0.00 0.00 33.50 31.83 1xfx n PRO 90 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1xfx n LYS 91 N 5.51 -0.02 0.00 0.54 3.00 -1.26 0.18 118.16 126.11 1xfx n LYS 91 Ca 0.20 0.88 -0.17 0.00 -0.00 0.00 0.00 58.31 59.21 1xfx n LYS 91 Cb 0.31 -1.83 -0.11 0.00 0.00 0.00 0.00 35.03 33.40 1xfx n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1xfx h ASP 92 N 0.00 0.48 -0.32 3.14 3.32 -1.93 -1.79 116.42 119.33 1xfx h ASP 92 Ca 0.67 -0.77 0.09 0.00 0.02 0.00 0.00 57.03 57.03 1xfx h ASP 92 Cb 2.35 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.74 1xfx h ASP 92 CO -0.22 1.20 0.31 1.62 -1.72 0.00 0.00 179.24 180.43 1xfx h VAL 93 N -0.17 0.49 0.14 -1.35 3.04 0.15 0.48 116.25 119.04 1xfx h VAL 93 Ca -0.07 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.42 1xfx h VAL 93 Cb 1.29 0.76 0.02 0.00 -2.01 0.00 0.00 31.29 31.35 1xfx h VAL 93 CO 0.11 0.00 -0.85 -0.07 -1.01 0.00 0.00 177.57 175.75 1xfx h LEU 94 N 0.00 0.48 -1.77 3.16 3.38 -1.32 -3.07 115.31 116.17 1xfx h LEU 94 Ca 0.15 -0.95 0.06 0.00 0.09 0.00 0.00 57.88 57.23 1xfx h LEU 94 Cb 0.78 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1xfx h LEU 94 CO -0.00 1.41 0.28 -0.33 0.09 0.00 0.00 178.44 179.88 1xfx h GLU 95 N -0.36 0.28 -0.21 1.13 4.39 0.66 0.26 114.58 120.74 1xfx h GLU 95 Ca -0.15 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 1xfx h GLU 95 Cb 1.66 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.24 1xfx h GLU 95 CO 0.15 0.18 -0.37 0.82 -1.16 0.00 0.00 179.01 178.64 1xfx h ILE 96 N 0.29 1.30 0.21 3.13 2.04 -0.52 -0.19 117.51 123.76 1xfx h ILE 96 Ca 0.18 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 1xfx h ILE 96 Cb 0.35 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1xfx h ILE 96 CO -0.04 0.46 -0.10 0.22 0.00 0.00 0.00 178.15 178.69 1xfx h TYR 97 N 0.38 -0.27 -0.94 1.37 3.20 -0.53 -1.44 116.97 118.75 1xfx h TYR 97 Ca 0.04 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.16 1xfx h TYR 97 Cb 0.83 0.09 -0.14 0.00 1.54 0.00 0.00 36.73 39.05 1xfx h TYR 97 CO 0.03 -0.17 0.43 0.66 -1.64 0.00 0.00 178.16 177.47 1xfx h SER 98 N -0.42 0.33 -0.40 -2.11 4.64 -0.85 0.26 113.55 115.00 1xfx h SER 98 Ca -0.03 0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1xfx h SER 98 Cb 0.22 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1xfx h SER 98 CO 0.05 -0.08 0.22 -0.08 -0.87 0.00 0.00 176.83 176.07 1xfx h GLU 99 N 0.34 0.43 0.00 4.77 4.57 -0.99 0.43 114.58 124.13 1xfx h GLU 99 Ca 0.63 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.78 1xfx h GLU 99 Cb 1.30 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1xfx h GLU 99 CO -0.59 0.29 0.00 1.28 -1.18 0.00 0.00 179.01 178.81 1xfx n LEU 100 N -4.89 0.00 0.00 1.64 4.77 0.84 -4.78 117.00 114.58 1xfx n LEU 100 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1xfx n LEU 100 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1xfx n LEU 100 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xfx n GLY 101 N -0.13 1.26 3.63 -0.72 0.00 0.15 -4.57 105.19 104.81 1xfx n GLY 101 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1xfx n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xfx s GLY 102 N -1.79 1.65 0.01 -0.02 0.00 -0.79 -4.75 107.32 101.64 1xfx s GLY 102 Ca 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 44.72 45.03 1xfx s GLY 102 CO 0.00 0.85 0.08 -0.54 0.00 0.00 0.00 173.10 173.49 1xfx s GLU 103 N -4.63 0.42 -0.08 2.90 2.02 -1.03 -4.20 118.70 114.10 1xfx s GLU 103 Ca 0.67 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 55.19 1xfx s GLU 103 Cb -0.23 0.17 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 1xfx s GLU 103 CO 0.60 -0.09 -0.10 0.42 0.02 0.00 0.00 175.26 176.10 1xfx s ILE 104 N -1.42 3.37 -0.22 -1.63 1.01 0.25 -2.42 121.20 120.14 1xfx s ILE 104 Ca -0.15 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1xfx s ILE 104 Cb -0.08 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.02 1xfx s ILE 104 CO 0.01 0.57 -0.09 -0.31 0.00 0.00 0.00 174.94 175.11 1xfx s TYR 105 N -0.42 2.95 -0.28 3.97 1.51 0.66 -1.18 117.35 124.57 1xfx s TYR 105 Ca 0.06 -1.38 -0.05 0.00 -1.01 0.00 0.00 57.07 54.68 1xfx s TYR 105 Cb -0.12 -2.03 0.01 0.00 -0.11 0.00 0.00 41.96 39.70 1xfx s TYR 105 CO 0.02 -0.69 0.04 -0.06 -1.11 0.00 0.00 175.55 173.75 1xfx s PHE 106 N 1.37 3.11 0.26 2.71 0.08 -0.55 0.19 117.98 125.14 1xfx s PHE 106 Ca 0.03 -1.07 0.07 0.00 0.12 0.00 0.00 56.93 56.08 1xfx s PHE 106 Cb -0.15 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.05 1xfx s PHE 106 CO -0.06 -0.60 -0.07 0.95 -0.10 0.00 0.00 175.22 175.34 1xfx s THR 107 N 1.47 1.60 0.00 0.64 -4.23 0.04 0.12 115.64 115.28 1xfx s THR 107 Ca 0.02 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.40 1xfx s THR 107 Cb -0.17 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.34 1xfx s THR 107 CO 0.01 -0.38 0.00 -0.67 -0.54 0.00 0.00 174.62 173.04 1xfx n ASP 108 N -0.52 0.00 -4.48 3.99 4.64 -1.26 -3.17 116.55 115.75 1xfx n ASP 108 Ca -0.06 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.23 1xfx n ASP 108 Cb 0.63 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.61 1xfx n ASP 108 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1xfx n ILE 109 N -0.11 0.00 -3.34 5.18 5.41 -1.26 -4.53 119.36 120.71 1xfx n ILE 109 Ca 0.00 -0.18 -0.26 0.00 1.00 0.00 0.00 62.75 63.31 1xfx n ILE 109 Cb 0.00 -1.61 -0.09 0.00 -0.71 0.00 0.00 39.64 37.23 1xfx n ILE 109 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1xfx n ASP 110 N 16.94 -0.18 0.14 4.38 9.92 -1.26 -5.00 116.55 141.49 1xfx n ASP 110 Ca 0.37 -2.50 -0.09 0.00 -0.53 0.00 0.00 54.79 52.04 1xfx n ASP 110 Cb 0.46 -0.58 -0.05 0.00 -0.64 0.00 0.00 41.12 40.30 1xfx n ASP 110 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1xfx h LEU 111 N 5.12 -0.36 0.00 0.64 3.38 -1.86 -3.44 115.31 118.79 1xfx h LEU 111 Ca 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xfx h LEU 111 Cb 0.89 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1xfx h LEU 111 CO 0.41 0.11 0.00 0.52 0.09 0.00 0.00 178.44 179.57 1xfx n VAL 112 N -5.06 0.00 -0.29 1.22 0.31 -1.26 -4.70 118.33 108.55 1xfx n VAL 112 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1xfx n VAL 112 Cb 0.22 -1.56 -0.01 0.00 -0.91 0.00 0.00 33.84 31.59 1xfx n VAL 112 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xfx n GLU 113 N -0.86 0.81 -0.00 5.55 1.02 -1.26 -3.93 120.64 121.97 1xfx n GLU 113 Ca 0.00 -0.84 0.02 0.00 -0.02 0.00 0.00 57.16 56.31 1xfx n GLU 113 Cb 0.00 -2.15 -0.03 0.00 -0.02 0.00 0.00 31.44 29.25 1xfx n GLU 113 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1xfx n HIS 114 N 4.58 0.00 -2.26 -0.32 -0.00 -1.26 -4.76 115.22 111.20 1xfx n HIS 114 Ca 0.17 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 58.00 1xfx n HIS 114 Cb 0.06 -0.06 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1xfx n HIS 114 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1xfx s LYS 115 N -1.99 3.42 0.00 1.57 2.20 -1.25 -4.84 119.74 118.85 1xfx s LYS 115 Ca -0.01 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 1xfx s LYS 115 Cb 0.02 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 1xfx s LYS 115 CO 0.15 -0.80 0.70 -0.85 -0.36 0.00 0.00 175.35 174.20 1xfx n GLU 116 N -1.17 0.00 0.00 4.03 0.28 -1.26 0.14 120.64 122.65 1xfx n GLU 116 Ca 0.11 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1xfx n GLU 116 Cb 0.51 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1xfx n GLU 116 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1xfx n LEU 117 N -1.20 0.73 -1.47 -1.84 7.99 -1.26 -4.80 117.00 115.14 1xfx n LEU 117 Ca 0.00 -0.73 0.05 0.00 -0.01 0.00 0.00 56.01 55.32 1xfx n LEU 117 Cb 0.12 0.00 0.28 0.00 -0.11 0.00 0.00 43.42 43.71 1xfx n LEU 117 CO 0.00 0.18 0.68 0.00 -1.51 0.00 0.00 177.39 176.75 1xfx n GLN 118 N -0.15 3.68 -2.47 3.23 1.13 0.36 -4.95 117.38 118.21 1xfx n GLN 118 Ca 0.00 -2.17 -0.14 0.00 -1.94 0.00 0.00 57.00 52.75 1xfx n GLN 118 Cb 0.32 -2.03 0.05 0.00 0.11 0.00 0.00 30.24 28.69 1xfx n GLN 118 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xfx n ASP 119 N 0.42 1.57 -4.52 1.08 10.43 -1.26 -4.45 116.55 119.82 1xfx n ASP 119 Ca 0.19 -2.14 -0.24 0.00 2.57 0.00 0.00 54.79 55.18 1xfx n ASP 119 Cb 0.91 -0.31 -0.16 0.00 1.84 0.00 0.00 41.12 43.40 1xfx n ASP 119 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1xfx n LEU 120 N 0.00 -0.02 0.00 0.64 -0.00 -1.26 -4.84 117.00 111.52 1xfx n LEU 120 Ca 0.12 -0.69 0.00 0.00 -0.00 0.00 0.00 56.01 55.44 1xfx n LEU 120 Cb 0.44 -0.98 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 1xfx n LEU 120 CO 0.29 -1.66 0.00 -1.20 -0.00 0.00 0.00 177.39 174.81 1xfx n SER 121 N 10.67 0.00 -4.56 1.96 7.64 -1.26 -5.03 113.62 123.04 1xfx n SER 121 Ca 0.60 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 60.09 1xfx n SER 121 Cb 0.23 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 1xfx n SER 121 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1xfx n GLU 122 N 0.00 1.27 0.00 1.43 0.00 -1.26 -4.87 120.64 117.21 1xfx n GLU 122 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1xfx n GLU 122 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 31.44 28.14 1xfx n GLU 122 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1xfx n GLU 123 N 8.90 3.09 -2.16 3.44 0.00 -1.26 -4.68 120.64 127.97 1xfx n GLU 123 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 57.09 1xfx n GLU 123 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.91 1xfx n GLU 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1xfx s GLU 124 N 4.80 3.59 -0.16 3.44 2.56 -1.26 -4.83 118.70 126.84 1xfx s GLU 124 Ca 0.00 1.37 -0.08 0.00 0.00 0.00 0.00 54.97 56.26 1xfx s GLU 124 Cb 0.00 -4.08 -0.07 0.00 2.00 0.00 0.00 34.13 31.99 1xfx s GLU 124 CO 0.00 -1.54 -0.21 1.63 -0.56 0.00 0.00 175.26 174.58 1xfx n LYS 125 N 8.01 0.34 -4.45 4.30 4.76 -1.26 -5.01 118.16 124.84 1xfx n LYS 125 Ca 0.19 0.15 -0.23 0.00 -2.87 0.00 0.00 58.31 55.56 1xfx n LYS 125 Cb 0.47 -1.07 -0.10 0.00 -1.84 0.00 0.00 35.03 32.48 1xfx n LYS 125 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1xfx s ASN 126 N -6.43 3.23 -0.83 4.39 -0.87 -1.26 -5.10 114.94 108.06 1xfx s ASN 126 Ca -0.22 -1.10 0.02 0.00 -1.57 0.00 0.00 52.86 49.98 1xfx s ASN 126 Cb 0.08 -0.25 0.32 0.00 -0.02 0.00 0.00 41.25 41.38 1xfx s ASN 126 CO 0.28 -0.14 1.34 -1.20 -2.57 0.00 0.00 177.10 174.81 1xfx n SER 127 N -0.60 5.79 -3.99 -1.22 7.64 -1.26 -4.88 113.62 115.11 1xfx n SER 127 Ca -0.06 -3.62 -0.31 0.00 1.01 0.00 0.00 58.87 55.89 1xfx n SER 127 Cb 0.62 -0.91 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 1xfx n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xfx s MET 128 N -3.60 2.70 0.00 1.43 0.23 -1.26 -4.79 119.30 114.01 1xfx s MET 128 Ca 0.41 -3.22 0.00 0.00 -1.03 0.00 0.00 55.69 51.86 1xfx s MET 128 Cb 0.20 -3.61 0.00 0.00 -1.53 0.00 0.00 34.83 29.88 1xfx s MET 128 CO -0.09 -1.26 0.00 0.09 -2.03 0.00 0.00 175.02 171.74 1xfx n ASN 129 N 2.28 0.00 -2.00 -1.18 5.03 -1.26 -5.02 115.26 113.10 1xfx n ASN 129 Ca 0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.63 1xfx n ASN 129 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1xfx n ASN 129 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1xfx n SER 130 N -0.34 0.00 0.00 6.41 3.41 -1.26 -4.96 113.62 116.87 1xfx n SER 130 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1xfx n SER 130 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xfx n SER 130 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1xfx n ARG 131 N 0.00 0.00 -2.15 4.33 0.63 -1.26 -4.45 116.66 113.76 1xfx n ARG 131 Ca 0.00 0.57 -0.30 0.00 -0.92 0.00 0.00 57.85 57.20 1xfx n ARG 131 Cb 0.00 -1.46 0.01 0.00 0.45 0.00 0.00 32.46 31.46 1xfx n ARG 131 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xfx s GLY 132 N -0.91 1.60 0.10 5.14 0.00 -1.26 -5.01 107.32 106.98 1xfx s GLY 132 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.27 1xfx s GLY 132 CO 0.00 -0.03 0.59 1.85 0.00 0.00 0.00 173.10 175.51 1xfx s GLU 133 N -5.03 4.19 0.21 2.90 2.56 -1.26 -4.72 118.70 117.54 1xfx s GLU 133 Ca 0.52 0.73 0.00 0.00 0.00 0.00 0.00 54.97 56.22 1xfx s GLU 133 Cb -0.11 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.86 1xfx s GLU 133 CO 0.50 0.59 0.00 1.17 -0.56 0.00 0.00 175.26 176.97 1xfx n LYS 134 N 1.49 0.00 -1.28 4.30 4.81 -1.26 -4.90 118.16 121.32 1xfx n LYS 134 Ca -0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.26 1xfx n LYS 134 Cb 0.51 -0.16 -0.04 0.00 0.02 0.00 0.00 35.03 35.36 1xfx n LYS 134 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1xfx n VAL 135 N -3.40 0.00 -0.15 3.15 3.14 -1.26 -4.93 118.33 114.87 1xfx n VAL 135 Ca 0.00 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.34 1xfx n VAL 135 Cb 0.00 -1.20 0.02 0.00 -1.06 0.00 0.00 33.84 31.60 1xfx n VAL 135 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1xfx n PRO 136 N -2.55 1.22 0.00 1.45 -0.04 -1.26 -4.85 135.00 128.96 1xfx n PRO 136 Ca -0.10 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 1xfx n PRO 136 Cb 0.34 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1xfx n PRO 136 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xfx n PHE 137 N 0.83 0.00 -0.08 0.54 -0.00 -1.26 -0.05 117.46 117.44 1xfx n PHE 137 Ca 0.09 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.71 1xfx n PHE 137 Cb 0.58 0.00 0.27 0.00 -0.00 0.00 0.00 39.48 40.32 1xfx n PHE 137 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xfx n ALA 138 N 0.00 0.62 -0.90 3.13 0.00 -1.26 0.16 120.51 122.25 1xfx n ALA 138 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.44 1xfx n ALA 138 Cb 0.00 -0.37 0.13 0.00 0.00 0.00 0.00 19.45 19.21 1xfx n ALA 138 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xfx n SER 139 N -2.67 4.35 -4.65 0.00 3.41 0.92 -4.67 113.62 110.31 1xfx n SER 139 Ca 0.14 -3.37 -0.23 0.00 -0.26 0.00 0.00 58.87 55.16 1xfx n SER 139 Cb 1.13 -0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1xfx n SER 139 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xfx s ARG 140 N -2.80 2.31 0.00 4.33 1.81 0.41 -5.01 118.95 120.00 1xfx s ARG 140 Ca 0.48 -1.42 0.00 0.00 -1.72 0.00 0.00 55.73 53.07 1xfx s ARG 140 Cb 0.40 -2.17 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1xfx s ARG 140 CO 0.07 0.35 0.00 1.97 -0.68 0.00 0.00 175.30 177.01 1xfx n PHE 141 N -0.91 0.00 -4.43 -0.53 -1.74 -1.26 -4.68 117.46 103.90 1xfx n PHE 141 Ca -0.06 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.62 1xfx n PHE 141 Cb 0.59 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.44 1xfx n PHE 141 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1xfx s VAL 142 N 0.00 0.85 -0.06 1.97 1.01 -1.26 -1.45 120.40 121.46 1xfx s VAL 142 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1xfx s VAL 142 Cb 0.00 -0.75 0.07 0.00 0.00 0.00 0.00 36.38 35.69 1xfx s VAL 142 CO 0.00 0.26 0.67 0.12 0.00 0.00 0.00 175.10 176.15 1xfx s PHE 143 N 0.21 -0.65 -0.27 5.22 5.36 0.10 -4.99 117.98 122.97 1xfx s PHE 143 Ca -0.04 1.14 -0.02 0.00 -0.96 0.00 0.00 56.93 57.05 1xfx s PHE 143 Cb -0.09 0.39 0.03 0.00 -0.34 0.00 0.00 43.02 43.01 1xfx s PHE 143 CO 0.01 -0.59 -0.02 -2.00 -1.46 0.00 0.00 175.22 171.16 1xfx s GLU 144 N -1.10 2.70 -1.15 10.12 2.56 -1.26 0.45 118.70 131.01 1xfx s GLU 144 Ca -0.10 -1.08 -0.20 0.00 0.00 0.00 0.00 54.97 53.58 1xfx s GLU 144 Cb -0.01 -3.10 -0.05 0.00 2.00 0.00 0.00 34.13 32.98 1xfx s GLU 144 CO 0.09 -0.49 1.93 1.17 -0.56 0.00 0.00 175.26 177.40 1xfx n LYS 145 N 4.67 2.15 -0.21 4.30 4.81 0.55 -4.84 118.16 129.58 1xfx n LYS 145 Ca -0.15 -2.52 0.19 0.00 -0.87 0.00 0.00 58.31 54.96 1xfx n LYS 145 Cb 0.46 -3.40 0.35 0.00 0.02 0.00 0.00 35.03 32.46 1xfx n LYS 145 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1xfx n LYS 146 N 7.64 -0.04 0.21 1.64 2.85 -1.26 -3.80 118.16 125.40 1xfx n LYS 146 Ca 0.48 0.91 -0.14 0.00 -1.05 0.00 0.00 58.31 58.51 1xfx n LYS 146 Cb 0.44 -1.61 -0.08 0.00 -0.65 0.00 0.00 35.03 33.13 1xfx n LYS 146 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 177.40 177.26 1xfx h ARG 147 N 0.00 -0.51 0.00 -1.58 2.43 -1.88 -3.46 114.38 109.38 1xfx h ARG 147 Ca 0.53 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1xfx h ARG 147 Cb 1.36 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 1xfx h ARG 147 CO -0.52 -0.22 0.00 -1.91 -1.51 0.00 0.00 179.97 175.81 1xfx n GLU 148 N -5.22 0.00 -3.28 0.20 4.07 -1.26 -4.98 120.64 110.16 1xfx n GLU 148 Ca -0.10 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.66 1xfx n GLU 148 Cb 0.28 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.60 1xfx n GLU 148 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1xfx s THR 149 N 0.00 4.80 0.04 6.31 -1.32 -1.26 -5.01 115.64 119.19 1xfx s THR 149 Ca 0.00 0.80 -0.30 0.00 -1.21 0.00 0.00 61.69 60.98 1xfx s THR 149 Cb 0.00 -3.68 -0.04 0.00 -1.51 0.00 0.00 72.50 67.27 1xfx s THR 149 CO 0.00 0.02 0.99 -2.16 -2.21 0.00 0.00 174.62 171.26 1xfx s PRO 150 N -2.52 4.59 -0.32 7.08 0.04 -1.26 -4.82 135.00 137.78 1xfx s PRO 150 Ca 0.46 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.99 1xfx s PRO 150 Cb -0.13 -3.42 0.10 0.00 0.04 0.00 0.00 34.50 31.08 1xfx s PRO 150 CO 0.20 0.01 0.04 0.15 0.04 0.00 0.00 177.00 177.44 1xfx s LYS 151 N 0.70 1.38 -0.17 4.56 1.02 -1.25 -2.46 119.74 123.51 1xfx s LYS 151 Ca 0.51 -1.62 -0.18 0.00 0.02 0.00 0.00 55.97 54.69 1xfx s LYS 151 Cb -0.22 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1xfx s LYS 151 CO 0.29 -0.91 0.50 -1.17 -0.92 0.00 0.00 175.35 173.14 1xfx s LEU 152 N 1.09 4.19 -0.11 3.17 0.20 -1.01 -0.33 118.68 125.88 1xfx s LEU 152 Ca 0.08 0.72 0.02 0.00 0.69 0.00 0.00 54.13 55.64 1xfx s LEU 152 Cb -0.19 -2.69 0.01 0.00 -0.43 0.00 0.00 46.19 42.89 1xfx s LEU 152 CO -0.11 -0.11 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.03 1xfx s ILE 153 N 1.27 1.62 0.01 6.68 1.01 0.17 0.24 121.20 132.20 1xfx s ILE 153 Ca 0.24 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1xfx s ILE 153 Cb -0.15 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1xfx s ILE 153 CO 0.10 0.46 -0.03 -0.63 0.00 0.00 0.00 174.94 174.84 1xfx s ILE 154 N 0.84 0.22 0.09 2.92 -1.09 0.49 0.03 121.20 124.70 1xfx s ILE 154 Ca -0.09 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1xfx s ILE 154 Cb -0.15 -0.25 -0.04 0.00 -1.58 0.00 0.00 42.46 40.44 1xfx s ILE 154 CO 0.00 -0.14 -0.09 0.54 -1.23 0.00 0.00 174.94 174.02 1xfx s ASN 155 N -0.61 1.29 0.21 3.58 4.22 -0.53 -0.78 114.94 122.32 1xfx s ASN 155 Ca -0.05 -0.81 0.05 0.00 -2.14 0.00 0.00 52.86 49.92 1xfx s ASN 155 Cb -0.04 0.03 -0.05 0.00 1.28 0.00 0.00 41.25 42.47 1xfx s ASN 155 CO -0.00 -0.29 -0.07 -0.63 -2.04 0.00 0.00 177.10 174.06 1xfx s ILE 156 N -2.50 1.35 0.00 0.54 1.09 -1.19 -4.86 121.20 115.64 1xfx s ILE 156 Ca 0.04 -2.10 0.00 0.00 -1.10 0.00 0.00 60.65 57.49 1xfx s ILE 156 Cb -0.02 -2.16 0.00 0.00 -1.06 0.00 0.00 42.46 39.21 1xfx s ILE 156 CO -0.01 -0.49 0.00 1.17 -0.10 0.00 0.00 174.94 175.51 1xfx n LYS 157 N -0.38 0.00 -0.13 2.79 3.00 -1.26 -4.41 118.16 117.76 1xfx n LYS 157 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1xfx n LYS 157 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.65 1xfx n LYS 157 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfx n ASP 158 N 0.00 0.00 -3.40 3.14 9.92 -1.26 -4.91 116.55 120.04 1xfx n ASP 158 Ca 0.00 -0.17 -0.40 0.00 -0.53 0.00 0.00 54.79 53.69 1xfx n ASP 158 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1xfx n ASP 158 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1xfx n TYR 159 N -0.21 2.58 -2.21 1.24 4.02 -1.26 -4.84 117.16 116.47 1xfx n TYR 159 Ca 0.00 -3.03 0.02 0.00 -0.01 0.00 0.00 57.90 54.88 1xfx n TYR 159 Cb 0.00 -2.37 0.08 0.00 -0.02 0.00 0.00 39.34 37.04 1xfx n TYR 159 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xfx n ALA 160 N 3.51 3.01 0.02 -0.72 0.00 -1.26 -4.90 120.51 120.16 1xfx n ALA 160 Ca 0.72 -2.81 0.03 0.00 0.00 0.00 0.00 53.44 51.38 1xfx n ALA 160 Cb 0.25 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 19.01 1xfx n ALA 160 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xfx n ILE 161 N -0.24 0.87 -0.01 0.00 5.41 -1.26 -4.55 119.36 119.58 1xfx n ILE 161 Ca 0.13 -0.65 -0.15 0.00 1.00 0.00 0.00 62.75 63.09 1xfx n ILE 161 Cb 0.95 -0.48 -0.03 0.00 -0.71 0.00 0.00 39.64 39.37 1xfx n ILE 161 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1xfx h ASN 162 N 0.00 0.82 0.48 4.38 2.35 -1.95 -2.94 115.58 118.72 1xfx h ASN 162 Ca -0.15 -0.52 -0.02 0.00 -0.55 0.00 0.00 56.30 55.07 1xfx h ASN 162 Cb 1.43 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 1xfx h ASN 162 CO 0.03 1.30 -0.34 0.28 -1.65 0.00 0.00 177.43 177.05 1xfx h SER 163 N 0.49 -0.87 -3.78 5.81 0.02 -1.95 -3.29 113.55 109.97 1xfx h SER 163 Ca -0.03 0.06 -0.72 0.00 -0.84 0.00 0.00 61.79 60.25 1xfx h SER 163 Cb 1.33 0.27 -0.34 0.00 0.14 0.00 0.00 62.40 63.79 1xfx h SER 163 CO 0.14 -0.49 -0.15 -0.70 -1.14 0.00 0.00 176.83 174.49 1xfx s GLU 164 N -4.94 3.07 0.01 3.45 2.12 -1.26 -4.87 118.70 116.29 1xfx s GLU 164 Ca -0.12 -2.85 0.03 0.00 0.36 0.00 0.00 54.97 52.39 1xfx s GLU 164 Cb 0.02 -3.96 0.14 0.00 0.26 0.00 0.00 34.13 30.59 1xfx s GLU 164 CO 0.40 -1.23 1.10 1.04 -0.54 0.00 0.00 175.26 176.03 1xfx n GLN 165 N 3.06 0.00 0.00 4.30 6.02 -1.11 -2.08 117.38 127.58 1xfx n GLN 165 Ca 0.15 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.60 1xfx n GLN 165 Cb 0.39 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1xfx n GLN 165 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xfx n SER 166 N -1.52 0.00 -0.10 1.08 2.88 -1.26 -1.73 113.62 112.96 1xfx n SER 166 Ca 0.01 0.21 -0.16 0.00 -1.33 0.00 0.00 58.87 57.60 1xfx n SER 166 Cb 0.03 -0.21 -0.06 0.00 -0.75 0.00 0.00 64.21 63.22 1xfx n SER 166 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xfx n LYS 167 N -1.17 0.54 0.30 -1.46 2.85 -0.88 -4.36 118.16 113.98 1xfx n LYS 167 Ca 0.00 0.30 0.18 0.00 -1.05 0.00 0.00 58.31 57.75 1xfx n LYS 167 Cb 0.05 -1.51 0.99 0.00 -0.65 0.00 0.00 35.03 33.90 1xfx n LYS 167 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1xfx h GLU 168 N -1.00 0.00 -0.13 -1.58 4.81 -1.55 -0.93 114.58 114.20 1xfx h GLU 168 Ca -0.26 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 1xfx h GLU 168 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1xfx h GLU 168 CO -0.16 0.00 -0.01 -0.24 -0.73 0.00 0.00 179.01 177.87 1xfx h VAL 169 N 0.00 1.10 0.00 0.32 3.04 -1.59 -0.71 116.25 118.41 1xfx h VAL 169 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1xfx h VAL 169 Cb 0.16 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1xfx h VAL 169 CO 0.00 0.13 0.00 1.88 -1.01 0.00 0.00 177.57 178.57 1xfx h TYR 170 N 0.19 0.00 0.00 3.17 -1.99 -1.40 -0.08 116.97 116.86 1xfx h TYR 170 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1xfx h TYR 170 Cb 0.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1xfx h TYR 170 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 178.16 177.24 1xfx h TYR 171 N 0.00 0.00 0.05 4.88 3.20 -1.26 0.65 116.97 124.50 1xfx h TYR 171 Ca 0.00 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.57 1xfx h TYR 171 Cb 0.56 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1xfx h TYR 171 CO 0.00 0.00 -1.63 0.39 -1.64 0.00 0.00 178.16 175.28 1xfx n GLU 172 N -2.88 0.65 0.02 1.82 4.71 -0.13 -2.88 120.64 121.95 1xfx n GLU 172 Ca 0.02 0.43 -0.10 0.00 -0.01 0.00 0.00 57.16 57.50 1xfx n GLU 172 Cb 0.35 -1.72 -0.08 0.00 -1.01 0.00 0.00 31.44 28.98 1xfx n GLU 172 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1xfx h ILE 173 N -0.53 0.96 -1.47 -3.67 2.10 -1.33 3.19 117.51 116.75 1xfx h ILE 173 Ca -0.40 -1.35 0.46 0.00 1.08 0.00 0.00 64.86 64.65 1xfx h ILE 173 Cb 1.63 1.67 -0.11 0.00 -1.09 0.00 0.00 36.82 38.93 1xfx h ILE 173 CO -0.09 0.27 0.99 1.23 -1.08 0.00 0.00 178.15 179.47 1xfx h GLY 174 N -0.88 0.85 0.00 8.18 0.00 0.11 0.43 103.07 111.75 1xfx h GLY 174 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1xfx h GLY 174 CO 0.02 -0.25 0.00 1.17 0.00 0.00 0.00 176.54 177.48 1xfx n LYS 175 N -4.45 0.00 0.00 4.80 4.81 -1.02 -4.12 118.16 118.17 1xfx n LYS 175 Ca 0.38 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1xfx n LYS 175 Cb 1.55 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 35.71 1xfx n LYS 175 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xfx n GLY 176 N 2.08 0.00 0.00 3.14 0.00 1.06 0.43 105.19 111.90 1xfx n GLY 176 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xfx n GLY 176 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xfx n ILE 177 N -2.65 0.00 -0.03 -0.61 -5.35 -0.25 -0.62 119.36 109.84 1xfx n ILE 177 Ca 0.00 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1xfx n ILE 177 Cb 0.00 -0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 37.30 1xfx n ILE 177 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1xfx h SER 178 N 0.00 0.00 0.83 7.28 4.64 0.85 -3.43 113.55 123.72 1xfx h SER 178 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xfx h SER 178 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xfx h SER 178 CO 0.00 0.34 -0.93 0.18 -0.87 0.00 0.00 176.83 175.55 1xfx n LEU 179 N -3.84 0.74 0.00 5.97 4.77 0.21 -4.60 117.00 120.24 1xfx n LEU 179 Ca -0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1xfx n LEU 179 Cb 0.01 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1xfx n LEU 179 CO 0.00 -0.10 0.05 -0.90 -1.33 0.00 0.00 177.39 175.11 1xfx n ASP 180 N -2.38 0.00 0.00 -1.43 5.75 -1.04 0.34 116.55 117.79 1xfx n ASP 180 Ca 0.01 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1xfx n ASP 180 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1xfx n ASP 180 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xfx n ILE 181 N -0.14 0.02 -1.46 2.12 3.06 -1.26 0.37 119.36 122.07 1xfx n ILE 181 Ca 0.00 0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 1xfx n ILE 181 Cb 0.00 -1.02 0.00 0.00 0.54 0.00 0.00 39.64 39.16 1xfx n ILE 181 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1xfx n ILE 182 N -0.65 0.00 0.00 9.51 0.00 -1.22 -4.26 119.36 122.75 1xfx n ILE 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.75 1xfx n ILE 182 Cb 0.02 0.90 0.00 0.00 0.00 0.00 0.00 39.64 40.56 1xfx n ILE 182 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1xfx n SER 183 N 0.00 0.00 0.00 9.51 2.88 1.16 -4.35 113.62 122.82 1xfx n SER 183 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xfx n SER 183 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1xfx n SER 183 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xfx n LYS 184 N 0.00 0.34 -0.46 -1.46 3.00 -1.19 -4.12 118.16 114.27 1xfx n LYS 184 Ca 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 58.31 58.70 1xfx n LYS 184 Cb 0.00 -0.69 0.72 0.00 0.00 0.00 0.00 35.03 35.07 1xfx n LYS 184 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1xfx h ASP 185 N 0.00 0.11 0.00 3.14 -0.00 -1.86 -3.31 116.42 114.50 1xfx h ASP 185 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1xfx h ASP 185 Cb 0.37 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.73 1xfx h ASP 185 CO 0.00 -0.03 0.00 1.17 -0.00 0.00 0.00 179.24 180.38 1xfx n LYS 186 N -4.28 0.07 -0.34 0.28 4.81 -1.25 -3.58 118.16 113.88 1xfx n LYS 186 Ca 0.33 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.88 1xfx n LYS 186 Cb 1.46 -0.01 0.31 0.00 0.02 0.00 0.00 35.03 36.82 1xfx n LYS 186 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1xfx h SER 187 N 0.00 0.79 0.00 3.14 0.87 -1.71 -3.34 113.55 113.30 1xfx h SER 187 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1xfx h SER 187 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1xfx h SER 187 CO 0.00 0.36 0.00 0.18 -0.53 0.00 0.00 176.83 176.84 1xfx n LEU 188 N -4.66 0.00 0.00 2.23 4.77 -1.26 -4.97 117.00 113.12 1xfx n LEU 188 Ca 0.20 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.17 1xfx n LEU 188 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1xfx n LEU 188 CO 0.26 0.00 0.01 0.47 -1.33 0.00 0.00 177.39 176.80 1xfx n ASP 189 N 0.00 0.61 -3.21 -1.43 10.43 -1.25 -4.81 116.55 116.89 1xfx n ASP 189 Ca 0.00 -1.10 -0.19 0.00 2.57 0.00 0.00 54.79 56.08 1xfx n ASP 189 Cb 0.00 -0.01 -0.04 0.00 1.84 0.00 0.00 41.12 42.91 1xfx n ASP 189 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 1xfx n PRO 190 N -0.82 0.57 -1.59 -0.24 -0.02 -1.23 -4.26 135.00 127.40 1xfx n PRO 190 Ca 0.00 -0.94 -0.52 0.00 -2.02 0.00 0.00 63.50 60.03 1xfx n PRO 190 Cb 0.03 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 1xfx n PRO 190 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xfx n GLU 191 N 5.69 1.14 -0.09 -0.52 -0.58 -1.26 -3.94 120.64 121.07 1xfx n GLU 191 Ca 0.24 0.41 0.09 0.00 -0.42 0.00 0.00 57.16 57.48 1xfx n GLU 191 Cb 0.16 -2.03 0.17 0.00 -0.57 0.00 0.00 31.44 29.16 1xfx n GLU 191 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1xfx n PHE 192 N 2.37 0.33 -0.25 -0.32 3.01 -1.26 0.11 117.46 121.45 1xfx n PHE 192 Ca 0.18 0.34 0.03 0.00 1.01 0.00 0.00 57.45 59.01 1xfx n PHE 192 Cb 0.20 -0.81 0.12 0.00 -0.01 0.00 0.00 39.48 38.98 1xfx n PHE 192 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1xfx h LEU 193 N 0.00 -0.53 0.00 4.37 3.38 -1.96 2.40 115.31 122.97 1xfx h LEU 193 Ca 0.24 0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.32 1xfx h LEU 193 Cb 0.64 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1xfx h LEU 193 CO -0.22 -0.21 -1.34 -3.20 0.09 0.00 0.00 178.44 173.55 1xfx n ASN 194 N -5.42 0.76 -0.04 -0.43 2.85 0.30 -2.36 115.26 110.92 1xfx n ASN 194 Ca 0.12 0.32 -0.10 0.00 -0.11 0.00 0.00 54.58 54.80 1xfx n ASN 194 Cb 0.42 0.44 0.04 0.00 1.24 0.00 0.00 39.78 41.92 1xfx n ASN 194 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1xfx h LEU 195 N 0.00 0.75 0.00 1.20 5.85 -0.05 0.43 115.31 123.49 1xfx h LEU 195 Ca -0.10 -0.36 -0.21 0.00 0.84 0.00 0.00 57.88 58.04 1xfx h LEU 195 Cb 1.35 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1xfx h LEU 195 CO 0.02 1.09 -1.34 0.40 -0.34 0.00 0.00 178.44 178.28 1xfx h ILE 196 N 0.55 0.87 -0.18 4.05 2.04 0.38 -3.06 117.51 122.16 1xfx h ILE 196 Ca 0.03 -2.51 -0.13 0.00 1.00 0.00 0.00 64.86 63.25 1xfx h ILE 196 Cb 1.01 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.43 1xfx h ILE 196 CO 0.10 0.50 -0.43 0.50 0.00 0.00 0.00 178.15 178.81 1xfx h LYS 197 N 0.00 0.43 0.00 2.37 3.11 -1.41 -1.56 116.57 119.52 1xfx h LYS 197 Ca -0.16 -0.23 -0.07 0.00 -2.81 0.00 0.00 60.65 57.38 1xfx h LYS 197 Cb 1.75 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.97 1xfx h LYS 197 CO 0.07 0.79 -0.33 1.03 -2.81 0.00 0.00 179.45 178.21 1xfx h SER 198 N 0.35 0.00 0.11 4.20 0.87 -0.95 -1.33 113.55 116.80 1xfx h SER 198 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1xfx h SER 198 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1xfx h SER 198 CO 0.08 0.33 0.00 0.18 -0.53 0.00 0.00 176.83 176.88 1xfx n LEU 199 N -3.82 0.38 -0.53 2.23 4.77 -0.59 -2.36 117.00 117.08 1xfx n LEU 199 Ca -0.01 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1xfx n LEU 199 Cb 0.41 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1xfx n LEU 199 CO 0.36 -0.74 0.07 -0.24 -1.33 0.00 0.00 177.39 175.51 1xfx n SER 200 N -2.00 0.31 0.00 -1.43 2.88 -0.50 -3.53 113.62 109.35 1xfx n SER 200 Ca -0.00 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1xfx n SER 200 Cb 0.05 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1xfx n SER 200 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1xfx n ASP 201 N 0.40 0.00 -0.67 -3.46 2.03 -0.99 -4.72 116.55 109.13 1xfx n ASP 201 Ca 0.00 0.91 -0.01 0.00 0.52 0.00 0.00 54.79 56.21 1xfx n ASP 201 Cb 0.07 -0.41 -0.01 0.00 -0.72 0.00 0.00 41.12 40.05 1xfx n ASP 201 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1xfx n ASP 202 N -1.83 -0.10 -0.07 1.67 5.68 -1.23 -4.49 116.55 116.19 1xfx n ASP 202 Ca 0.00 -1.49 -0.06 0.00 -0.50 0.00 0.00 54.79 52.74 1xfx n ASP 202 Cb 0.00 -0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 39.85 1xfx n ASP 202 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xfx n SER 203 N 0.04 1.58 0.00 -1.12 3.41 -1.24 -4.93 113.62 111.36 1xfx n SER 203 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1xfx n SER 203 Cb 0.63 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 1xfx n SER 203 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1xfx n ASP 204 N -2.49 0.00 -4.81 4.04 8.00 -1.26 -4.99 116.55 115.03 1xfx n ASP 204 Ca -0.22 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 54.95 1xfx n ASP 204 Cb 0.93 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.99 1xfx n ASP 204 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1xfx s SER 205 N -1.00 6.48 0.00 -2.24 0.15 -1.26 -4.90 113.70 110.92 1xfx s SER 205 Ca 0.00 1.82 0.00 0.00 0.70 0.00 0.00 55.95 58.47 1xfx s SER 205 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1xfx s SER 205 CO 0.00 -0.69 0.88 -1.20 1.20 0.00 0.00 173.24 173.44 1xfx n SER 206 N -1.04 2.59 -4.04 5.45 7.64 -1.26 -4.48 113.62 118.49 1xfx n SER 206 Ca 0.08 -1.65 -0.33 0.00 1.01 0.00 0.00 58.87 57.98 1xfx n SER 206 Cb 0.53 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 1xfx n SER 206 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xfx s ASP 207 N 1.11 5.49 -0.37 6.43 1.01 -1.26 -4.90 116.67 124.18 1xfx s ASP 207 Ca 0.00 -3.63 -0.03 0.00 0.71 0.00 0.00 52.55 49.59 1xfx s ASP 207 Cb 0.00 -1.81 0.05 0.00 1.01 0.00 0.00 42.92 42.17 1xfx s ASP 207 CO 0.00 -0.18 2.71 0.18 0.21 0.00 0.00 175.17 178.10 1xfx n LEU 208 N 2.39 6.32 -3.44 1.23 4.32 -1.26 -4.60 117.00 121.96 1xfx n LEU 208 Ca 0.19 -3.80 -0.35 0.00 -0.02 0.00 0.00 56.01 52.03 1xfx n LEU 208 Cb 0.36 -1.22 -0.02 0.00 -1.62 0.00 0.00 43.42 40.93 1xfx n LEU 208 CO 0.33 1.62 0.78 -0.11 -1.22 0.00 0.00 177.39 178.79 1xfx n LEU 209 N 0.96 5.77 -0.87 2.23 7.94 -1.26 -4.68 117.00 127.09 1xfx n LEU 209 Ca 0.44 -5.47 0.03 0.00 -1.11 0.00 0.00 56.01 49.90 1xfx n LEU 209 Cb 0.60 -0.92 0.21 0.00 0.53 0.00 0.00 43.42 43.84 1xfx n LEU 209 CO 0.31 2.09 0.66 2.22 -1.11 0.00 0.00 177.39 181.56 1xfx n PHE 210 N 0.24 0.80 0.82 1.96 1.16 -1.26 -4.07 117.46 117.10 1xfx n PHE 210 Ca 0.36 -1.27 0.09 0.00 -1.87 0.00 0.00 57.45 54.76 1xfx n PHE 210 Cb 0.34 -0.37 0.44 0.00 -1.61 0.00 0.00 39.48 38.28 1xfx n PHE 210 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1xfx n SER 211 N -0.97 0.00 0.01 5.98 2.88 -1.26 -1.01 113.62 119.25 1xfx n SER 211 Ca 0.26 0.05 -0.07 0.00 -1.33 0.00 0.00 58.87 57.78 1xfx n SER 211 Cb 0.91 -0.29 -0.13 0.00 -0.75 0.00 0.00 64.21 63.95 1xfx n SER 211 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 1xfx h GLN 212 N 0.00 0.00 0.00 -1.46 3.07 -2.00 -3.41 115.11 111.31 1xfx h GLN 212 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xfx h GLN 212 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.73 1xfx h GLN 212 CO 0.00 0.63 -1.14 0.36 0.09 0.00 0.00 178.83 178.77 1xfx n LYS 213 N -3.13 0.53 -3.90 0.06 2.85 -1.09 -4.89 118.16 108.59 1xfx n LYS 213 Ca -0.11 -0.04 -0.29 0.00 -1.05 0.00 0.00 58.31 56.82 1xfx n LYS 213 Cb 1.00 -1.08 -0.12 0.00 -0.65 0.00 0.00 35.03 34.17 1xfx n LYS 213 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1xfx s PHE 214 N -2.25 3.48 0.00 5.58 2.99 -0.18 -4.73 117.98 122.87 1xfx s PHE 214 Ca -0.01 -3.29 0.00 0.00 0.00 0.00 0.00 56.93 53.63 1xfx s PHE 214 Cb 0.03 -2.76 0.00 0.00 0.00 0.00 0.00 43.02 40.29 1xfx s PHE 214 CO 0.19 -0.60 0.00 1.17 -0.00 0.00 0.00 175.22 175.98 1xfx n LYS 215 N 2.29 0.00 0.28 0.44 3.00 -1.26 -4.27 118.16 118.64 1xfx n LYS 215 Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.59 1xfx n LYS 215 Cb 0.34 0.00 0.78 0.00 0.00 0.00 0.00 35.03 36.15 1xfx n LYS 215 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1xfx h GLU 216 N 0.00 0.00 0.00 1.64 4.11 -1.99 -2.21 114.58 116.13 1xfx h GLU 216 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1xfx h GLU 216 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xfx h GLU 216 CO 0.00 0.03 -1.49 1.63 0.07 0.00 0.00 179.01 179.25 1xfx n LYS 217 N -4.08 0.40 -2.89 1.06 4.76 -1.26 -4.68 118.16 111.46 1xfx n LYS 217 Ca -0.03 -0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.19 1xfx n LYS 217 Cb 0.11 -1.54 0.03 0.00 -1.84 0.00 0.00 35.03 31.79 1xfx n LYS 217 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1xfx n LEU 218 N -2.00 0.09 -1.76 -0.35 7.94 -1.04 -4.74 117.00 115.14 1xfx n LEU 218 Ca -0.00 -4.21 0.08 0.00 -1.11 0.00 0.00 56.01 50.77 1xfx n LEU 218 Cb 0.48 0.59 0.39 0.00 0.53 0.00 0.00 43.42 45.40 1xfx n LEU 218 CO 0.44 1.99 0.85 -1.84 -1.11 0.00 0.00 177.39 177.73 1xfx n GLU 219 N 0.09 4.45 -2.27 1.96 0.28 -0.86 -4.51 120.64 119.78 1xfx n GLU 219 Ca 0.13 -3.07 -0.41 0.00 -0.16 0.00 0.00 57.16 53.65 1xfx n GLU 219 Cb 0.74 -2.13 0.00 0.00 1.43 0.00 0.00 31.44 31.48 1xfx n GLU 219 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1xfx n LEU 220 N 0.78 7.28 0.22 -1.84 7.94 -1.26 -4.63 117.00 125.49 1xfx n LEU 220 Ca 0.27 -4.85 0.09 0.00 -1.11 0.00 0.00 56.01 50.41 1xfx n LEU 220 Cb 1.09 -1.39 0.47 0.00 0.53 0.00 0.00 43.42 44.12 1xfx n LEU 220 CO 0.29 1.74 0.80 0.78 -1.11 0.00 0.00 177.39 179.90 1xfx h ASN 221 N 5.13 0.00 -1.07 1.96 2.35 -2.00 -3.31 115.58 118.64 1xfx h ASN 221 Ca 0.52 0.00 -0.74 0.00 -0.55 0.00 0.00 56.30 55.53 1xfx h ASN 221 Cb 0.47 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.72 1xfx h ASN 221 CO 1.51 0.24 2.45 0.59 -1.65 0.00 0.00 177.43 180.57 1xfx n ASN 222 N -3.46 6.72 -3.17 5.81 3.02 -1.26 -4.74 115.26 118.18 1xfx n ASN 222 Ca -0.00 -3.06 0.05 0.00 -0.03 0.00 0.00 54.58 51.54 1xfx n ASN 222 Cb 0.42 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.12 1xfx n ASN 222 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xfx s LYS 223 N 0.01 0.05 -0.41 3.52 2.36 -1.25 -5.11 119.74 118.91 1xfx s LYS 223 Ca 0.49 0.12 -0.27 0.00 -2.55 0.00 0.00 55.97 53.76 1xfx s LYS 223 Cb 0.15 0.07 -0.04 0.00 -1.05 0.00 0.00 37.83 36.95 1xfx s LYS 223 CO -0.05 -0.04 2.09 -1.12 1.55 0.00 0.00 175.35 177.78 1xfx s SER 224 N 2.60 5.22 -1.45 1.43 0.01 -1.26 -4.91 113.70 115.33 1xfx s SER 224 Ca -0.05 1.16 -0.11 0.00 1.31 0.00 0.00 55.95 58.26 1xfx s SER 224 Cb -0.05 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.60 1xfx s SER 224 CO -0.11 -2.27 2.65 -0.38 0.41 0.00 0.00 173.24 173.54 1xfx n ILE 225 N 7.62 3.76 0.00 1.44 5.41 -1.26 -4.73 119.36 131.61 1xfx n ILE 225 Ca 0.28 -2.46 0.00 0.00 1.00 0.00 0.00 62.75 61.57 1xfx n ILE 225 Cb 0.50 -2.53 0.00 0.00 -0.71 0.00 0.00 39.64 36.90 1xfx n ILE 225 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1xfx n ASP 226 N 4.36 0.00 -0.00 4.38 4.64 -1.26 -4.67 116.55 123.99 1xfx n ASP 226 Ca 0.67 0.00 0.02 0.00 -1.38 0.00 0.00 54.79 54.10 1xfx n ASP 226 Cb 0.26 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.31 1xfx n ASP 226 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1xfx n ILE 227 N 0.00 0.00 0.24 5.18 5.41 -1.26 -4.14 119.36 124.79 1xfx n ILE 227 Ca 0.00 -0.39 0.12 0.00 1.00 0.00 0.00 62.75 63.48 1xfx n ILE 227 Cb 0.00 0.97 0.55 0.00 -0.71 0.00 0.00 39.64 40.45 1xfx n ILE 227 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1xfx h ASN 228 N 0.00 0.00 0.00 4.38 4.21 -1.91 -3.41 115.58 118.86 1xfx h ASN 228 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1xfx h ASN 228 Cb 0.10 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1xfx h ASN 228 CO 0.00 0.15 0.00 0.33 -1.29 0.00 0.00 177.43 176.62 1xfx n PHE 229 N -3.34 0.00 -0.02 1.19 7.35 -1.26 -4.87 117.46 116.50 1xfx n PHE 229 Ca -0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 1xfx n PHE 229 Cb 0.37 0.00 0.62 0.00 0.35 0.00 0.00 39.48 40.82 1xfx n PHE 229 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 1xfx h ILE 230 N 0.00 0.79 0.27 -2.13 2.10 -1.79 -2.88 117.51 113.88 1xfx h ILE 230 Ca 0.00 -0.05 -0.01 0.00 1.08 0.00 0.00 64.86 65.88 1xfx h ILE 230 Cb 0.00 0.63 -0.00 0.00 -1.09 0.00 0.00 36.82 36.36 1xfx h ILE 230 CO 0.00 0.03 -0.16 0.11 -1.08 0.00 0.00 178.15 177.05 1xfx h LYS 231 N 0.15 -0.39 -0.35 2.19 1.57 -1.87 -3.09 116.57 114.79 1xfx h LYS 231 Ca 0.26 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.19 1xfx h LYS 231 Cb 0.82 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 1xfx h LYS 231 CO -0.04 -0.26 0.09 -1.91 -0.57 0.00 0.00 179.45 176.77 1xfx n GLU 232 N -3.21 -0.02 -2.70 3.15 4.07 -1.09 -0.88 120.64 119.96 1xfx n GLU 232 Ca -0.05 0.51 -0.26 0.00 -0.06 0.00 0.00 57.16 57.30 1xfx n GLU 232 Cb 0.16 -0.85 -0.02 0.00 -0.06 0.00 0.00 31.44 30.68 1xfx n GLU 232 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1xfx n ASN 233 N -4.06 4.30 -0.34 4.31 3.02 -1.17 -4.80 115.26 116.51 1xfx n ASN 233 Ca 0.11 -3.63 0.13 0.00 -0.03 0.00 0.00 54.58 51.16 1xfx n ASN 233 Cb 0.36 -0.51 0.32 0.00 -0.61 0.00 0.00 39.78 39.34 1xfx n ASN 233 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1xfx h LEU 234 N 2.78 0.72 -0.29 3.41 -0.00 -1.00 -0.83 115.31 120.10 1xfx h LEU 234 Ca 0.20 0.11 0.06 0.00 -0.00 0.00 0.00 57.88 58.25 1xfx h LEU 234 Cb 0.77 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.35 1xfx h LEU 234 CO 0.81 0.23 -0.10 0.71 -0.00 0.00 0.00 178.44 180.08 1xfx h THR 235 N 0.70 0.65 -0.17 0.15 1.35 -1.87 -2.46 112.91 111.26 1xfx h THR 235 Ca 0.58 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.42 1xfx h THR 235 Cb 0.95 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 1xfx h THR 235 CO -0.41 0.00 -0.01 -0.08 -0.25 0.00 0.00 175.52 174.77 1xfx h GLU 236 N -0.04 0.24 0.00 4.72 4.81 -1.54 -1.00 114.58 121.76 1xfx h GLU 236 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1xfx h GLU 236 Cb 0.26 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1xfx h GLU 236 CO -0.32 0.28 0.00 1.19 -0.73 0.00 0.00 179.01 179.42 1xfx n PHE 237 N -4.38 0.00 -0.14 0.92 3.72 -0.93 -2.63 117.46 114.02 1xfx n PHE 237 Ca -0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.11 1xfx n PHE 237 Cb 0.18 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.62 1xfx n PHE 237 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xfx n GLN 238 N -0.68 0.59 0.23 -1.08 6.02 -0.40 -3.33 117.38 118.73 1xfx n GLN 238 Ca 0.08 0.24 0.11 0.00 -0.01 0.00 0.00 57.00 57.42 1xfx n GLN 238 Cb 0.04 -1.49 0.38 0.00 1.02 0.00 0.00 30.24 30.19 1xfx n GLN 238 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xfx h HIS 239 N -0.86 0.00 0.00 1.08 3.86 -1.33 0.18 115.15 118.07 1xfx h HIS 239 Ca -0.69 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.52 1xfx h HIS 239 Cb 1.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.12 1xfx h HIS 239 CO -0.07 0.00 -0.51 0.00 0.86 0.00 0.00 177.93 178.21 1xfx n ALA 240 N -1.81 0.45 -0.21 2.45 0.00 -1.22 -3.27 120.51 116.91 1xfx n ALA 240 Ca 0.04 -0.45 0.31 0.00 0.00 0.00 0.00 53.44 53.34 1xfx n ALA 240 Cb 0.86 0.02 0.69 0.00 0.00 0.00 0.00 19.45 21.02 1xfx n ALA 240 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xfx h PHE 241 N -0.82 0.00 0.32 0.00 3.57 -1.19 0.16 116.94 118.98 1xfx h PHE 241 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1xfx h PHE 241 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1xfx h PHE 241 CO -0.22 0.00 -0.15 0.77 -2.23 0.00 0.00 178.31 176.48 1xfx h SER 242 N 0.00 -0.36 -0.73 0.41 0.02 -1.19 -1.35 113.55 110.35 1xfx h SER 242 Ca 0.47 0.01 0.17 0.00 -0.84 0.00 0.00 61.79 61.60 1xfx h SER 242 Cb 2.16 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 64.75 1xfx h SER 242 CO -0.00 -0.05 0.50 -0.07 -1.14 0.00 0.00 176.83 176.06 1xfx h LEU 243 N -0.84 0.22 -0.45 5.07 3.38 -1.05 0.68 115.31 122.32 1xfx h LEU 243 Ca -0.04 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1xfx h LEU 243 Cb 0.33 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1xfx h LEU 243 CO 0.07 0.11 -0.04 0.00 0.09 0.00 0.00 178.44 178.67 1xfx h ALA 244 N 1.66 0.61 -0.03 1.53 0.00 -0.80 0.09 119.26 122.32 1xfx h ALA 244 Ca 0.36 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xfx h ALA 244 Cb 1.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1xfx h ALA 244 CO -0.08 0.45 0.01 0.35 0.00 0.00 0.00 179.25 179.98 1xfx h PHE 245 N 0.66 0.05 -0.45 0.00 3.04 0.13 0.12 116.94 120.49 1xfx h PHE 245 Ca 0.12 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1xfx h PHE 245 Cb 0.56 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.03 1xfx h PHE 245 CO 0.04 0.24 0.30 0.66 -2.02 0.00 0.00 178.31 177.54 1xfx h SER 246 N -0.16 0.38 0.03 0.41 4.64 0.02 -1.80 113.55 117.08 1xfx h SER 246 Ca 0.01 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1xfx h SER 246 Cb 0.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1xfx h SER 246 CO -0.00 0.26 -0.02 1.88 -0.87 0.00 0.00 176.83 178.08 1xfx h TYR 247 N 0.44 -0.04 -0.72 4.77 -1.99 -0.76 0.28 116.97 118.95 1xfx h TYR 247 Ca 0.19 -0.00 0.20 0.00 2.00 0.00 0.00 58.73 61.12 1xfx h TYR 247 Cb 0.20 0.01 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 1xfx h TYR 247 CO -0.00 0.56 0.51 -0.92 -0.00 0.00 0.00 178.16 178.31 1xfx h TYR 248 N -0.96 0.09 0.00 4.88 3.20 -0.49 -2.53 116.97 121.16 1xfx h TYR 248 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xfx h TYR 248 Cb 0.62 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1xfx h TYR 248 CO 0.16 0.03 -0.98 1.19 -1.64 0.00 0.00 178.16 176.92 1xfx n PHE 249 N -4.36 0.00 -1.62 -3.82 3.01 -0.70 -4.83 117.46 105.15 1xfx n PHE 249 Ca 0.14 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.14 1xfx n PHE 249 Cb 0.75 -0.12 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 1xfx n PHE 249 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xfx n ALA 250 N -1.55 0.15 0.30 4.37 0.00 0.97 -4.78 120.51 119.97 1xfx n ALA 250 Ca 0.00 0.43 0.18 0.00 0.00 0.00 0.00 53.44 54.06 1xfx n ALA 250 Cb 0.24 -2.14 0.94 0.00 0.00 0.00 0.00 19.45 18.50 1xfx n ALA 250 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xfx h PRO 251 N 3.50 0.00 0.00 0.00 0.13 -1.89 -3.36 132.00 130.38 1xfx h PRO 251 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1xfx h PRO 251 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1xfx h PRO 251 CO 0.71 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.08 1xfx n ASP 252 N -3.16 0.00 -4.56 1.44 5.75 -1.26 -4.93 116.55 109.83 1xfx n ASP 252 Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 54.79 54.42 1xfx n ASP 252 Cb 0.29 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.34 1xfx n ASP 252 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1xfx s HIS 253 N 0.00 2.17 -0.13 2.11 -3.43 -1.26 -4.56 115.29 110.20 1xfx s HIS 253 Ca 0.00 -0.11 -0.03 0.00 -0.80 0.00 0.00 55.06 54.12 1xfx s HIS 253 Cb 0.00 -4.39 -0.07 0.00 -1.43 0.00 0.00 32.58 26.69 1xfx s HIS 253 CO 0.00 -1.87 -0.14 2.89 -2.00 0.00 0.00 174.74 173.62 1xfx n ARG 254 N 8.90 0.30 0.20 -0.38 0.00 -1.25 -4.37 116.66 120.06 1xfx n ARG 254 Ca 0.35 0.10 0.05 0.00 -0.00 0.00 0.00 57.85 58.35 1xfx n ARG 254 Cb 0.49 -1.11 0.51 0.00 -0.00 0.00 0.00 32.46 32.35 1xfx n ARG 254 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1xfx h THR 255 N -0.24 1.11 -0.70 8.89 2.02 -1.89 -2.04 112.91 120.07 1xfx h THR 255 Ca -0.31 -0.48 0.10 0.00 0.77 0.00 0.00 66.41 66.49 1xfx h THR 255 Cb 1.37 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 68.88 1xfx h THR 255 CO -0.12 0.14 0.34 0.58 0.37 0.00 0.00 175.52 176.83 1xfx h VAL 256 N 0.08 0.83 -0.29 3.16 2.07 -1.92 0.68 116.25 120.85 1xfx h VAL 256 Ca 0.02 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1xfx h VAL 256 Cb 0.23 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1xfx h VAL 256 CO 0.01 0.10 -0.12 0.25 0.02 0.00 0.00 177.57 177.84 1xfx h LEU 257 N 0.57 0.48 -0.45 2.57 5.85 -1.63 -2.22 115.31 120.48 1xfx h LEU 257 Ca 0.35 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1xfx h LEU 257 Cb 0.38 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1xfx h LEU 257 CO -0.28 0.63 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.35 1xfx h GLU 258 N 0.46 0.00 0.00 1.25 4.81 -0.96 -3.27 114.58 116.86 1xfx h GLU 258 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1xfx h GLU 258 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xfx h GLU 258 CO 0.03 0.03 -1.88 -0.11 -0.73 0.00 0.00 179.01 176.35 1xfx n LEU 259 N -3.11 0.11 0.00 1.64 7.94 0.05 -4.68 117.00 118.94 1xfx n LEU 259 Ca 0.03 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1xfx n LEU 259 Cb 0.47 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1xfx n LEU 259 CO 0.32 -0.00 0.00 -1.22 -1.11 0.00 0.00 177.39 175.38 1xfx n TYR 260 N -2.26 0.00 -3.09 1.96 4.02 -0.86 -4.86 117.16 112.07 1xfx n TYR 260 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 1xfx n TYR 260 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.83 1xfx n TYR 260 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xfx s ALA 261 N -4.91 3.40 -0.29 -0.72 0.00 -1.23 -4.74 121.76 113.26 1xfx s ALA 261 Ca 0.00 0.02 0.23 0.00 0.00 0.00 0.00 51.96 52.20 1xfx s ALA 261 Cb 0.00 -2.93 0.09 0.00 0.00 0.00 0.00 23.12 20.28 1xfx s ALA 261 CO 0.00 -0.19 1.18 -1.00 0.00 0.00 0.00 175.76 175.75 1xfx h PRO 262 N 6.90 0.00 0.00 0.00 0.13 -1.83 -3.38 132.00 133.82 1xfx h PRO 262 Ca -0.39 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.59 1xfx h PRO 262 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1xfx h PRO 262 CO 0.76 0.00 -0.90 0.22 -0.23 0.00 0.00 178.00 177.86 1xfx h ASP 263 N 0.00 0.00 -0.77 1.44 1.82 -1.91 -3.31 116.42 113.69 1xfx h ASP 263 Ca 0.00 -0.50 0.22 0.00 -0.39 0.00 0.00 57.03 56.36 1xfx h ASP 263 Cb 0.99 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.97 1xfx h ASP 263 CO 0.00 1.27 0.67 0.24 -1.61 0.00 0.00 179.24 179.81 1xfx h MET 264 N -1.00 0.00 0.26 0.28 2.86 -1.90 0.77 114.93 116.20 1xfx h MET 264 Ca -0.23 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1xfx h MET 264 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1xfx h MET 264 CO -0.14 0.00 -0.13 0.35 1.06 0.00 0.00 176.91 178.05 1xfx h PHE 265 N 0.00 -0.33 -0.34 -0.22 3.57 -1.74 0.13 116.94 118.01 1xfx h PHE 265 Ca 0.36 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 1xfx h PHE 265 Cb 1.71 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.54 1xfx h PHE 265 CO 0.00 -0.00 0.04 1.49 -2.23 0.00 0.00 178.31 177.61 1xfx h GLU 266 N -0.69 0.52 0.83 1.11 4.57 -0.16 0.45 114.58 121.22 1xfx h GLU 266 Ca -0.04 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 1xfx h GLU 266 Cb 0.47 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1xfx h GLU 266 CO 0.06 0.52 -0.40 -0.92 -1.18 0.00 0.00 179.01 177.09 1xfx h TYR 267 N 0.50 -1.04 -0.87 0.92 3.20 0.40 0.23 116.97 120.32 1xfx h TYR 267 Ca 0.11 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.05 1xfx h TYR 267 Cb 0.27 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 1xfx h TYR 267 CO 0.01 -0.64 0.52 0.52 -1.64 0.00 0.00 178.16 176.93 1xfx h MET 268 N -1.13 0.87 0.05 1.82 2.86 -0.33 -1.59 114.93 117.48 1xfx h MET 268 Ca -0.11 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1xfx h MET 268 Cb 0.86 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1xfx h MET 268 CO 0.19 0.58 -0.04 -0.97 1.06 0.00 0.00 176.91 177.73 1xfx h ASN 269 N 0.90 -0.09 -0.83 1.22 -0.73 0.27 0.30 115.58 116.62 1xfx h ASN 269 Ca 0.41 0.01 0.09 0.00 1.87 0.00 0.00 56.30 58.68 1xfx h ASN 269 Cb 0.32 0.03 -0.07 0.00 0.27 0.00 0.00 38.32 38.87 1xfx h ASN 269 CO -0.23 -0.06 0.47 0.50 -0.37 0.00 0.00 177.43 177.75 1xfx h LYS 270 N -0.09 0.78 -0.70 6.67 1.63 -0.11 0.99 116.57 125.74 1xfx h LYS 270 Ca -0.00 -0.05 0.11 0.00 -0.85 0.00 0.00 60.65 59.87 1xfx h LYS 270 Cb 0.08 -0.18 -0.08 0.00 -0.60 0.00 0.00 32.23 31.45 1xfx h LYS 270 CO -0.00 0.51 0.29 -0.07 -3.45 0.00 0.00 179.45 176.73 1xfx h LEU 271 N 0.80 0.30 -0.38 5.20 3.38 -0.23 0.35 115.31 124.74 1xfx h LEU 271 Ca 0.40 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 58.28 1xfx h LEU 271 Cb 0.35 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xfx h LEU 271 CO -0.24 0.15 -0.52 -0.08 0.09 0.00 0.00 178.44 177.84 1xfx h GLU 272 N 0.47 0.80 -1.10 1.13 4.81 0.12 0.37 114.58 121.18 1xfx h GLU 272 Ca 0.36 -0.49 0.35 0.00 -0.13 0.00 0.00 59.36 59.45 1xfx h GLU 272 Cb 0.48 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.78 1xfx h GLU 272 CO -0.34 1.12 0.67 0.87 -0.73 0.00 0.00 179.01 180.60 1xfx h LYS 273 N 0.62 0.25 0.00 1.92 1.57 0.49 -3.41 116.57 118.02 1xfx h LYS 273 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xfx h LYS 273 Cb 1.11 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1xfx h LYS 273 CO 0.11 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.57 1xfx n GLY 274 N -1.39 0.00 0.34 3.86 0.00 -0.34 -5.00 105.19 102.66 1xfx n GLY 274 Ca 0.32 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.51 1xfx n GLY 274 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xfx h GLY 275 N 0.00 0.00 1.65 -0.02 0.00 -0.06 -0.10 103.07 104.53 1xfx h GLY 275 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1xfx h GLY 275 CO 0.00 0.00 -1.24 0.74 0.00 0.00 0.00 176.54 176.04 1xfx h PHE 276 N 0.00 0.41 0.00 5.60 0.05 -0.64 -3.02 116.94 119.34 1xfx h PHE 276 Ca 0.08 -0.30 0.00 0.00 3.82 0.00 0.00 57.97 61.57 1xfx h PHE 276 Cb 0.49 -0.02 0.00 0.00 2.00 0.00 0.00 35.95 38.42 1xfx h PHE 276 CO 0.00 1.25 0.00 1.49 -0.18 0.00 0.00 178.31 180.87 1xfx h GLU 277 N 0.06 0.00 0.00 1.51 4.81 -1.29 -2.86 114.58 116.81 1xfx h GLU 277 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xfx h GLU 277 Cb 1.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.33 1xfx h GLU 277 CO 0.19 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.10 1xfx n LYS 278 N -2.58 0.00 -0.42 1.92 5.02 -0.80 -2.95 118.16 118.34 1xfx n LYS 278 Ca 0.01 0.00 0.40 0.00 -2.02 0.00 0.00 58.31 56.71 1xfx n LYS 278 Cb 0.26 -0.43 0.73 0.00 -0.02 0.00 0.00 35.03 35.57 1xfx n LYS 278 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xfx h ILE 279 N 0.00 0.19 0.00 -0.18 1.08 -1.68 1.51 117.51 118.42 1xfx h ILE 279 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1xfx h ILE 279 Cb 0.00 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 33.96 1xfx h ILE 279 CO 0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.22 1xfx n SER 280 N -3.90 0.17 0.01 1.72 2.88 -1.08 -1.56 113.62 111.86 1xfx n SER 280 Ca 0.31 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1xfx n SER 280 Cb 1.54 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.92 1xfx n SER 280 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1xfx n GLU 281 N -0.27 0.00 0.00 -1.46 -0.58 0.51 -4.19 120.64 114.64 1xfx n GLU 281 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1xfx n GLU 281 Cb 0.04 -0.11 0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1xfx n GLU 281 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1xfx n SER 282 N -2.70 0.00 -0.09 1.62 3.41 -0.98 0.15 113.62 115.04 1xfx n SER 282 Ca 0.00 0.46 -0.11 0.00 -0.26 0.00 0.00 58.87 58.96 1xfx n SER 282 Cb 0.09 -0.46 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 1xfx n SER 282 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xfx n LEU 283 N -1.46 1.21 -0.06 1.04 4.32 -0.60 -3.20 117.00 118.24 1xfx n LEU 283 Ca 0.00 -0.05 -0.12 0.00 -0.02 0.00 0.00 56.01 55.83 1xfx n LEU 283 Cb 0.02 -0.06 -0.06 0.00 -1.62 0.00 0.00 43.42 41.70 1xfx n LEU 283 CO 0.01 0.59 0.72 0.50 -1.22 0.00 0.00 177.39 178.00 1xfx h LYS 284 N 0.00 0.35 0.10 3.23 1.63 -0.61 0.76 116.57 122.03 1xfx h LYS 284 Ca -0.46 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.21 1xfx h LYS 284 Cb 1.90 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 1xfx h LYS 284 CO -0.02 0.59 -0.05 1.57 -3.45 0.00 0.00 179.45 178.10 1xfx h LYS 285 N 0.08 -0.13 0.00 1.90 2.10 0.12 0.16 116.57 120.81 1xfx h LYS 285 Ca 0.05 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1xfx h LYS 285 Cb 0.45 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1xfx h LYS 285 CO 0.02 0.09 0.00 -1.91 -2.00 0.00 0.00 179.45 175.65 1xfx n GLU 286 N -5.05 0.43 -0.03 0.07 2.13 -1.19 -1.77 120.64 115.23 1xfx n GLU 286 Ca -0.08 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.60 1xfx n GLU 286 Cb 0.16 -1.35 -0.11 0.00 0.27 0.00 0.00 31.44 30.42 1xfx n GLU 286 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1xfx h GLY 287 N 2.29 0.14 0.07 8.31 0.00 0.13 -2.78 103.07 111.23 1xfx h GLY 287 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1xfx h GLY 287 CO 0.00 0.18 -0.03 -0.39 0.00 0.00 0.00 176.54 176.30 1xfx h VAL 288 N -0.50 0.00 -1.53 4.60 -1.51 -1.31 -3.25 116.25 112.75 1xfx h VAL 288 Ca -0.01 -0.23 0.50 0.00 -1.23 0.00 0.00 66.70 65.74 1xfx h VAL 288 Cb 0.82 0.00 -0.13 0.00 -2.13 0.00 0.00 31.29 29.86 1xfx h VAL 288 CO 0.03 0.00 1.02 -0.33 -1.23 0.00 0.00 177.57 177.05 1xfx h GLU 289 N -0.32 0.00 0.00 5.19 5.08 -1.68 -2.60 114.58 120.25 1xfx h GLU 289 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xfx h GLU 289 Cb 0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xfx h GLU 289 CO 0.02 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 179.20 1xfx n LYS 290 N -4.55 0.00 -2.22 2.33 4.81 -1.05 -4.27 118.16 113.21 1xfx n LYS 290 Ca 0.42 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.45 1xfx n LYS 290 Cb 1.68 -0.56 -0.03 0.00 0.02 0.00 0.00 35.03 36.14 1xfx n LYS 290 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xfx s ASP 291 N -1.87 5.70 0.00 3.14 3.68 -0.98 -4.87 116.67 121.47 1xfx s ASP 291 Ca 0.00 0.24 0.00 0.00 2.13 0.00 0.00 52.55 54.92 1xfx s ASP 291 Cb 0.00 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 38.93 1xfx s ASP 291 CO 0.00 -2.06 0.00 0.54 0.13 0.00 0.00 175.17 173.78 1xfx n ARG 292 N 9.04 0.29 -3.71 4.34 5.12 -1.24 -4.67 116.66 125.83 1xfx n ARG 292 Ca 0.15 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.69 1xfx n ARG 292 Cb 0.50 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.68 1xfx n ARG 292 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xfx s ILE 293 N -0.92 4.15 -0.57 0.55 1.01 -1.26 -5.02 121.20 119.15 1xfx s ILE 293 Ca 0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 60.65 59.65 1xfx s ILE 293 Cb 0.00 -3.20 -0.09 0.00 0.01 0.00 0.00 42.46 39.18 1xfx s ILE 293 CO 0.00 -0.02 2.42 -0.67 0.00 0.00 0.00 174.94 176.68 1xfx n ASP 294 N 4.90 2.15 -4.26 3.58 4.64 -1.26 -4.90 116.55 121.40 1xfx n ASP 294 Ca -0.14 -0.72 -0.23 0.00 -1.38 0.00 0.00 54.79 52.33 1xfx n ASP 294 Cb 0.47 -1.59 -0.13 0.00 -1.04 0.00 0.00 41.12 38.84 1xfx n ASP 294 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 1xfx s VAL 295 N 12.73 1.58 -0.40 5.18 -7.23 -1.26 -4.69 120.40 126.33 1xfx s VAL 295 Ca 0.98 -1.45 -0.19 0.00 -1.81 0.00 0.00 61.98 59.51 1xfx s VAL 295 Cb -0.19 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.32 1xfx s VAL 295 CO 0.23 -0.06 0.53 -1.48 -0.31 0.00 0.00 175.10 174.00 1xfx s LEU 296 N -1.79 4.54 0.83 1.32 2.34 -1.19 -4.91 118.68 119.83 1xfx s LEU 296 Ca 0.05 -0.31 -0.07 0.00 0.06 0.00 0.00 54.13 53.86 1xfx s LEU 296 Cb -0.10 -2.57 0.17 0.00 -0.56 0.00 0.00 46.19 43.13 1xfx s LEU 296 CO 0.04 -0.60 1.14 -0.54 -1.06 0.00 0.00 176.35 175.33 1xfx s LYS 297 N 2.44 1.14 1.45 1.48 1.02 -1.26 -3.16 119.74 122.86 1xfx s LYS 297 Ca 0.18 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1xfx s LYS 297 Cb -0.15 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1xfx s LYS 297 CO 0.15 -1.92 0.00 0.41 -0.92 0.00 0.00 175.35 173.07 1xfx n GLY 298 N -3.25 -1.37 0.00 -3.33 0.00 -0.95 -3.59 105.19 92.70 1xfx n GLY 298 Ca 0.16 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1xfx n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xfx n GLU 299 N -1.91 0.00 0.23 1.61 2.13 -1.26 0.13 120.64 121.57 1xfx n GLU 299 Ca 0.00 0.38 0.09 0.00 0.66 0.00 0.00 57.16 58.30 1xfx n GLU 299 Cb 0.10 -1.57 0.55 0.00 0.27 0.00 0.00 31.44 30.79 1xfx n GLU 299 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xfx h LYS 300 N 0.00 0.00 0.00 5.31 1.57 -1.89 -2.86 116.57 118.70 1xfx h LYS 300 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 1xfx h LYS 300 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1xfx h LYS 300 CO 0.00 0.22 -1.45 0.00 -0.57 0.00 0.00 179.45 177.65 1xfx n ALA 301 N -2.30 0.84 0.13 3.86 0.00 0.35 -4.02 120.51 119.38 1xfx n ALA 301 Ca -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 53.44 52.84 1xfx n ALA 301 Cb 0.35 -0.38 0.09 0.00 0.00 0.00 0.00 19.45 19.51 1xfx n ALA 301 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xfx n LEU 302 N -4.41 0.08 -0.07 0.00 7.94 -0.92 -0.40 117.00 119.22 1xfx n LEU 302 Ca -0.35 0.29 -0.13 0.00 -1.11 0.00 0.00 56.01 54.72 1xfx n LEU 302 Cb 0.69 -0.14 -0.11 0.00 0.53 0.00 0.00 43.42 44.39 1xfx n LEU 302 CO 0.15 -0.32 0.29 0.11 -1.11 0.00 0.00 177.39 176.52 1xfx h LYS 303 N 0.00 0.00 0.00 1.96 1.79 -1.64 -3.34 116.57 115.34 1xfx h LYS 303 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xfx h LYS 303 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1xfx h LYS 303 CO 0.00 0.87 -0.12 0.00 -1.08 0.00 0.00 179.45 179.12 1xfx n ALA 304 N -2.68 2.41 -0.22 3.86 0.00 0.47 -3.67 120.51 120.68 1xfx n ALA 304 Ca -0.10 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.30 1xfx n ALA 304 Cb 0.43 -1.41 0.13 0.00 0.00 0.00 0.00 19.45 18.60 1xfx n ALA 304 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xfx h SER 305 N 0.00 -0.14 0.00 0.00 0.87 -1.15 -3.43 113.55 109.71 1xfx h SER 305 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1xfx h SER 305 Cb 0.74 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1xfx h SER 305 CO 0.00 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 176.83 1xfx n GLY 306 N -1.36 2.68 3.08 5.77 0.00 -1.24 -2.65 105.19 111.48 1xfx n GLY 306 Ca 0.11 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1xfx n GLY 306 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xfx n LEU 307 N 0.00 -3.83 -4.68 0.99 4.32 -1.26 -4.65 117.00 107.89 1xfx n LEU 307 Ca 0.00 0.57 -0.42 0.00 -0.02 0.00 0.00 56.01 56.14 1xfx n LEU 307 Cb 0.00 -0.80 -0.04 0.00 -1.62 0.00 0.00 43.42 40.96 1xfx n LEU 307 CO 0.00 -4.76 0.65 -0.69 -1.22 0.00 0.00 177.39 171.37 1xfx s VAL 308 N -1.92 4.86 0.30 4.08 1.01 -1.26 -4.89 120.40 122.58 1xfx s VAL 308 Ca 0.52 1.74 0.01 0.00 0.00 0.00 0.00 61.98 64.25 1xfx s VAL 308 Cb -0.44 -4.18 0.38 0.00 0.00 0.00 0.00 36.38 32.14 1xfx s VAL 308 CO 0.66 0.04 1.59 -0.65 0.00 0.00 0.00 175.10 176.73 1xfx h PRO 309 N 7.23 0.05 0.00 2.72 0.11 -1.89 0.41 132.00 140.62 1xfx h PRO 309 Ca -0.30 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1xfx h PRO 309 Cb 1.14 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xfx h PRO 309 CO 0.84 0.03 -0.01 0.93 -0.21 0.00 0.00 178.00 179.59 1xfx h GLU 310 N 0.05 0.00 0.00 1.05 5.08 -1.99 -1.27 114.58 117.50 1xfx h GLU 310 Ca 0.57 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1xfx h GLU 310 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1xfx h GLU 310 CO -0.84 0.01 -0.01 0.45 -1.00 0.00 0.00 179.01 177.61 1xfx h HIS 311 N 0.00 0.00 -0.97 4.33 3.86 -0.65 -1.98 115.15 119.75 1xfx h HIS 311 Ca -0.00 0.00 0.29 0.00 -1.16 0.00 0.00 60.37 59.50 1xfx h HIS 311 Cb 0.01 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.31 1xfx h HIS 311 CO 0.00 0.02 0.15 0.00 0.86 0.00 0.00 177.93 178.95 1xfx h ALA 312 N -0.98 1.35 -0.09 2.45 0.00 -0.99 1.36 119.26 122.35 1xfx h ALA 312 Ca -0.00 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1xfx h ALA 312 Cb 0.03 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xfx h ALA 312 CO -0.00 -0.62 0.02 -0.44 0.00 0.00 0.00 179.25 178.22 1xfx h ASP 313 N 0.04 0.14 -0.89 0.00 3.32 -1.34 -0.49 116.42 117.21 1xfx h ASP 313 Ca 0.63 -0.22 0.18 0.00 0.02 0.00 0.00 57.03 57.64 1xfx h ASP 313 Cb 1.37 -0.04 -0.11 0.00 0.22 0.00 0.00 39.33 40.78 1xfx h ASP 313 CO -0.85 0.32 0.44 0.00 -1.72 0.00 0.00 179.24 177.43 1xfx h ALA 314 N 0.82 1.40 -0.23 3.45 0.00 0.24 0.21 119.26 125.14 1xfx h ALA 314 Ca 0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xfx h ALA 314 Cb 0.24 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xfx h ALA 314 CO -0.00 -0.19 0.12 0.74 0.00 0.00 0.00 179.25 179.92 1xfx h PHE 315 N 0.55 0.33 -1.22 0.00 0.05 0.18 -2.92 116.94 113.91 1xfx h PHE 315 Ca 0.52 -0.01 0.43 0.00 3.82 0.00 0.00 57.97 62.73 1xfx h PHE 315 Cb 0.86 -0.10 -0.13 0.00 2.00 0.00 0.00 35.95 38.57 1xfx h PHE 315 CO -0.10 0.30 0.77 1.17 -0.18 0.00 0.00 178.31 180.28 1xfx n LYS 316 N -4.85 -0.04 0.07 1.51 4.81 0.73 0.39 118.16 120.78 1xfx n LYS 316 Ca -0.03 1.15 -0.13 0.00 -0.87 0.00 0.00 58.31 58.44 1xfx n LYS 316 Cb 0.09 -2.25 -0.09 0.00 0.02 0.00 0.00 35.03 32.80 1xfx n LYS 316 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1xfx h LYS 317 N 0.00 -0.18 -0.16 1.64 3.64 -1.47 -3.09 116.57 116.96 1xfx h LYS 317 Ca 0.80 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 60.24 1xfx h LYS 317 Cb 2.53 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 34.34 1xfx h LYS 317 CO -0.46 0.18 -0.14 0.82 -2.27 0.00 0.00 179.45 177.58 1xfx h ILE 318 N -0.56 0.60 -0.78 2.00 5.03 -0.20 -0.80 117.51 122.80 1xfx h ILE 318 Ca -0.02 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.79 1xfx h ILE 318 Cb 0.44 0.60 -0.10 0.00 -3.03 0.00 0.00 36.82 34.73 1xfx h ILE 318 CO 0.03 0.00 -0.52 0.00 -0.68 0.00 0.00 178.15 176.98 1xfx h ALA 319 N 0.93 -0.55 0.21 1.87 0.00 -1.45 -0.04 119.26 120.23 1xfx h ALA 319 Ca 0.10 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xfx h ALA 319 Cb 0.31 1.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1xfx h ALA 319 CO -0.26 -0.90 -0.25 0.00 0.00 0.00 0.00 179.25 177.85 1xfx h ARG 320 N -0.08 -0.45 -0.75 0.00 3.08 -1.34 0.98 114.38 115.81 1xfx h ARG 320 Ca 0.13 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.32 1xfx h ARG 320 Cb 0.41 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.43 1xfx h ARG 320 CO -0.78 -0.30 -0.40 1.49 -1.07 0.00 0.00 179.97 178.91 1xfx h GLU 321 N -0.47 -0.11 0.00 0.04 4.81 -0.55 -1.34 114.58 116.95 1xfx h GLU 321 Ca -0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1xfx h GLU 321 Cb 0.42 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1xfx h GLU 321 CO -0.05 -0.08 -0.32 -0.07 -0.73 0.00 0.00 179.01 177.77 1xfx h LEU 322 N -0.12 0.00 -2.53 1.64 3.38 -1.03 -3.49 115.31 113.16 1xfx h LEU 322 Ca 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1xfx h LEU 322 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1xfx h LEU 322 CO -0.80 0.01 -0.03 -3.20 0.09 0.00 0.00 178.44 174.50 1xfx n ASN 323 N -2.84 -6.29 -3.64 -0.43 4.05 0.34 -4.66 115.26 101.80 1xfx n ASN 323 Ca 0.03 -0.01 -0.09 0.00 0.45 0.00 0.00 54.58 54.95 1xfx n ASN 323 Cb 0.52 -4.19 -0.07 0.00 1.23 0.00 0.00 39.78 37.27 1xfx n ASN 323 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1xfx s THR 324 N -2.93 0.00 0.33 -0.44 -4.23 -1.05 -2.25 115.64 105.07 1xfx s THR 324 Ca 0.02 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.24 1xfx s THR 324 Cb -0.00 -1.00 -0.10 0.00 1.34 0.00 0.00 72.50 72.73 1xfx s THR 324 CO 0.55 0.00 1.33 -0.31 -0.54 0.00 0.00 174.62 175.66 1xfx s TYR 325 N 1.16 3.00 -0.18 3.99 1.51 -0.27 -4.41 117.35 122.15 1xfx s TYR 325 Ca -0.06 1.37 0.01 0.00 -1.01 0.00 0.00 57.07 57.38 1xfx s TYR 325 Cb -0.05 -3.72 0.02 0.00 -0.11 0.00 0.00 41.96 38.10 1xfx s TYR 325 CO -0.12 -2.02 -0.20 0.42 -1.11 0.00 0.00 175.55 172.52 1xfx s ILE 326 N -1.08 2.09 -0.03 2.71 1.01 -1.07 -0.92 121.20 123.91 1xfx s ILE 326 Ca 0.50 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.28 1xfx s ILE 326 Cb -0.41 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 1xfx s ILE 326 CO 0.54 0.54 -0.20 -0.76 0.00 0.00 0.00 174.94 175.05 1xfx s LEU 327 N 1.27 2.39 0.16 2.97 1.02 -0.09 -1.05 118.68 125.35 1xfx s LEU 327 Ca 0.04 -0.35 0.09 0.00 0.02 0.00 0.00 54.13 53.93 1xfx s LEU 327 Cb -0.13 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.59 1xfx s LEU 327 CO -0.12 0.32 -0.19 -0.36 0.02 0.00 0.00 176.35 176.03 1xfx s PHE 328 N -0.69 1.84 0.73 0.29 0.40 0.16 0.97 117.98 121.69 1xfx s PHE 328 Ca 0.11 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1xfx s PHE 328 Cb -0.10 -0.93 0.13 0.00 0.51 0.00 0.00 43.02 42.63 1xfx s PHE 328 CO 0.00 0.33 1.01 1.03 0.70 0.00 0.00 175.22 178.29 1xfx s ARG 329 N -2.70 1.63 0.10 0.44 0.52 -0.63 -1.91 118.95 116.40 1xfx s ARG 329 Ca 0.15 -1.08 -0.31 0.00 -0.52 0.00 0.00 55.73 53.97 1xfx s ARG 329 Cb -0.06 -2.31 -0.09 0.00 0.52 0.00 0.00 34.95 33.01 1xfx s ARG 329 CO 0.06 -1.49 1.70 -2.14 0.02 0.00 0.00 175.30 173.45 1xfx s PRO 330 N -5.18 4.18 -0.34 3.54 0.02 -1.26 -4.78 135.00 131.18 1xfx s PRO 330 Ca 0.67 2.42 -0.13 0.00 0.02 0.00 0.00 61.00 63.98 1xfx s PRO 330 Cb -0.05 -3.53 -0.02 0.00 0.02 0.00 0.00 34.50 30.92 1xfx s PRO 330 CO 0.45 -0.75 0.26 0.08 -0.33 0.00 0.00 177.00 176.70 1xfx s VAL 331 N 2.45 5.27 0.08 3.83 1.01 -1.09 -4.96 120.40 127.00 1xfx s VAL 331 Ca 0.76 -0.16 -0.36 0.00 0.00 0.00 0.00 61.98 62.21 1xfx s VAL 331 Cb -0.42 -3.72 -0.18 0.00 0.00 0.00 0.00 36.38 32.05 1xfx s VAL 331 CO 0.33 -0.01 1.06 -3.20 0.00 0.00 0.00 175.10 173.29 1xfx n ASN 332 N 5.14 0.44 -0.11 3.32 2.85 -1.26 -4.07 115.26 121.57 1xfx n ASN 332 Ca -0.12 1.14 -0.04 0.00 -0.11 0.00 0.00 54.58 55.45 1xfx n ASN 332 Cb 0.50 -1.04 0.17 0.00 1.24 0.00 0.00 39.78 40.64 1xfx n ASN 332 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1xfx h LYS 333 N 3.10 0.80 -0.20 1.20 6.56 -1.94 -2.50 116.57 123.59 1xfx h LYS 333 Ca -0.45 -0.20 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 1xfx h LYS 333 Cb 1.39 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 1xfx h LYS 333 CO 0.67 0.78 0.00 1.28 -2.06 0.00 0.00 179.45 180.13 1xfx n LEU 334 N -4.23 0.20 0.00 2.94 4.32 -1.26 -1.49 117.00 117.48 1xfx n LEU 334 Ca 0.03 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 1xfx n LEU 334 Cb 0.28 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1xfx n LEU 334 CO 0.41 0.05 -0.00 0.00 -1.22 0.00 0.00 177.39 176.63 1xfx n ALA 335 N -0.06 0.06 -0.24 -1.18 0.00 -0.96 -4.12 120.51 114.01 1xfx n ALA 335 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1xfx n ALA 335 Cb 0.05 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.56 1xfx n ALA 335 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1xfx h THR 336 N 0.00 0.23 0.19 0.00 2.02 -1.12 -0.94 112.91 113.29 1xfx h THR 336 Ca 0.00 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.85 1xfx h THR 336 Cb 0.00 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1xfx h THR 336 CO 0.00 0.00 -1.62 0.78 0.37 0.00 0.00 175.52 175.05 1xfx h ASN 337 N -0.05 0.61 -0.58 4.18 2.35 -1.90 -3.08 115.58 117.10 1xfx h ASN 337 Ca 0.31 -0.81 0.17 0.00 -0.55 0.00 0.00 56.30 55.42 1xfx h ASN 337 Cb 0.54 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1xfx h ASN 337 CO -0.74 1.67 0.60 -0.07 -1.65 0.00 0.00 177.43 177.24 1xfx h LEU 338 N 0.11 0.00 0.05 1.61 3.38 -1.76 0.54 115.31 119.23 1xfx h LEU 338 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xfx h LEU 338 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 1xfx h LEU 338 CO 0.20 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 179.10 1xfx h ILE 339 N 0.00 0.00 -0.99 1.22 2.04 -1.16 0.76 117.51 119.38 1xfx h ILE 339 Ca 0.28 -0.09 0.32 0.00 1.00 0.00 0.00 64.86 66.37 1xfx h ILE 339 Cb 1.48 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.41 1xfx h ILE 339 CO -0.00 0.00 0.52 0.50 0.00 0.00 0.00 178.15 179.17 1xfx h LYS 340 N -0.16 0.29 -0.54 2.37 3.64 -0.95 0.86 116.57 122.07 1xfx h LYS 340 Ca -0.01 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1xfx h LYS 340 Cb 0.05 -0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.70 1xfx h LYS 340 CO 0.01 0.19 -0.22 1.03 -2.27 0.00 0.00 179.45 178.19 1xfx h SER 341 N 0.29 -0.77 0.00 4.20 0.87 -0.09 -3.46 113.55 114.59 1xfx h SER 341 Ca 0.72 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.47 1xfx h SER 341 Cb 1.63 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 64.02 1xfx h SER 341 CO -0.62 -0.25 0.00 0.61 -0.53 0.00 0.00 176.83 176.04 1xfx n GLY 342 N -1.42 -0.01 3.74 5.77 0.00 0.30 -4.92 105.19 108.65 1xfx n GLY 342 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1xfx n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfx s VAL 343 N -0.58 3.84 0.88 1.61 1.01 0.24 -3.75 120.40 123.66 1xfx s VAL 343 Ca 0.00 1.56 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 1xfx s VAL 343 Cb 0.00 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.50 1xfx s VAL 343 CO 0.00 0.26 1.12 0.00 0.00 0.00 0.00 175.10 176.48 1xfx s ALA 344 N -0.12 1.84 0.10 5.51 0.00 -1.10 -4.58 121.76 123.41 1xfx s ALA 344 Ca 0.50 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1xfx s ALA 344 Cb -0.30 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1xfx s ALA 344 CO 0.35 -2.17 0.04 0.95 0.00 0.00 0.00 175.76 174.93 1xfx s THR 345 N -3.21 4.21 0.14 0.00 -4.23 -1.25 -1.92 115.64 109.38 1xfx s THR 345 Ca 0.63 -0.95 -0.31 0.00 -1.18 0.00 0.00 61.69 59.87 1xfx s THR 345 Cb -0.15 -3.03 -0.10 0.00 1.34 0.00 0.00 72.50 70.55 1xfx s THR 345 CO 0.54 0.09 1.69 -0.75 -0.54 0.00 0.00 174.62 175.64 1xfx s LYS 346 N -2.45 4.17 0.00 3.99 2.20 -0.10 -4.84 119.74 122.71 1xfx s LYS 346 Ca 0.27 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 1xfx s LYS 346 Cb -0.12 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1xfx s LYS 346 CO 0.20 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1xfx n GLY 347 N 3.98 1.51 0.09 5.54 0.00 -1.26 -4.65 105.19 110.40 1xfx n GLY 347 Ca 0.16 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 1xfx n GLY 347 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xfx h LEU 348 N 0.00 0.00 -1.92 0.99 3.38 -1.93 -3.34 115.31 112.49 1xfx h LEU 348 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1xfx h LEU 348 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1xfx h LEU 348 CO 0.00 0.76 0.32 -0.55 0.09 0.00 0.00 178.44 179.06 1xfx h ASN 349 N 0.00 0.08 -3.33 -0.43 -0.00 -1.94 -3.41 115.58 106.55 1xfx h ASN 349 Ca -0.20 0.00 -0.66 0.00 -0.00 0.00 0.00 56.30 55.44 1xfx h ASN 349 Cb 1.76 -0.01 -0.17 0.00 -0.00 0.00 0.00 38.32 39.90 1xfx h ASN 349 CO 0.06 0.05 -0.63 -0.69 -0.00 0.00 0.00 177.43 176.22 1xfx s VAL 350 N -5.10 4.24 -0.14 6.14 1.01 -1.26 -4.67 120.40 120.63 1xfx s VAL 350 Ca -0.06 -0.26 0.15 0.00 0.00 0.00 0.00 61.98 61.81 1xfx s VAL 350 Cb 0.19 -2.82 0.35 0.00 0.00 0.00 0.00 36.38 34.11 1xfx s VAL 350 CO 0.72 0.56 1.17 1.41 0.00 0.00 0.00 175.10 178.96 1xfx n HIS 351 N 2.71 0.00 -1.84 5.22 8.25 -1.26 -4.76 115.22 123.54 1xfx n HIS 351 Ca -0.18 -1.08 -0.31 0.00 -0.26 0.00 0.00 57.72 55.90 1xfx n HIS 351 Cb 0.53 -0.19 0.03 0.00 1.12 0.00 0.00 29.99 31.48 1xfx n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xfx s GLY 352 N -2.75 1.65 -0.03 -1.41 0.00 -1.26 -4.92 107.32 98.60 1xfx s GLY 352 Ca 0.33 -0.17 -0.17 0.00 0.00 0.00 0.00 44.72 44.71 1xfx s GLY 352 CO -0.05 0.14 0.46 0.54 0.00 0.00 0.00 173.10 174.19 1xfx s LYS 353 N -5.23 4.12 0.00 2.90 -0.14 -1.26 -5.03 119.74 115.10 1xfx s LYS 353 Ca 0.57 0.48 0.00 0.00 -1.36 0.00 0.00 55.97 55.65 1xfx s LYS 353 Cb -0.11 -3.30 0.00 0.00 -1.68 0.00 0.00 37.83 32.74 1xfx s LYS 353 CO 0.53 0.49 0.00 0.45 -0.76 0.00 0.00 175.35 176.07 1xfx n SER 354 N 2.46 -1.07 -3.95 2.83 2.88 -1.26 -4.34 113.62 111.16 1xfx n SER 354 Ca -0.11 -0.31 -0.09 0.00 -1.33 0.00 0.00 58.87 57.03 1xfx n SER 354 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1xfx n SER 354 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1xfx s SER 355 N -1.63 0.15 -0.16 -3.46 0.15 -1.20 -2.78 113.70 104.76 1xfx s SER 355 Ca 0.00 -0.82 0.22 0.00 0.70 0.00 0.00 55.95 56.05 1xfx s SER 355 Cb 0.00 0.35 0.47 0.00 -1.71 0.00 0.00 66.02 65.13 1xfx s SER 355 CO 0.00 -0.77 1.15 -0.90 1.20 0.00 0.00 173.24 173.91 1xfx n ASP 356 N -0.10 1.66 -3.57 5.45 3.85 -1.26 -1.54 116.55 121.04 1xfx n ASP 356 Ca -0.11 -2.30 -0.08 0.00 -0.71 0.00 0.00 54.79 51.58 1xfx n ASP 356 Cb 0.63 -0.40 -0.04 0.00 -1.35 0.00 0.00 41.12 39.95 1xfx n ASP 356 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1xfx s TRP 357 N -2.32 -0.30 0.05 2.11 1.48 -1.26 -5.00 118.94 113.69 1xfx s TRP 357 Ca 0.33 0.42 0.00 0.00 -1.06 0.00 0.00 56.10 55.79 1xfx s TRP 357 Cb 0.36 0.48 0.00 0.00 -1.16 0.00 0.00 33.47 33.15 1xfx s TRP 357 CO -0.08 -0.33 0.00 0.41 -4.06 0.00 0.00 176.95 172.88 1xfx n GLY 358 N 0.42 -2.14 0.17 3.67 0.00 -1.24 -3.30 105.19 102.76 1xfx n GLY 358 Ca -0.08 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.43 1xfx n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfx h PRO 359 N 0.00 0.39 -0.35 1.61 0.13 -1.92 -2.82 132.00 129.03 1xfx h PRO 359 Ca 0.00 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.21 1xfx h PRO 359 Cb 0.20 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.23 1xfx h PRO 359 CO 0.00 0.26 0.28 -0.24 -0.23 0.00 0.00 178.00 178.07 1xfx h VAL 360 N 0.40 0.68 -0.39 1.56 3.04 -1.93 -3.46 116.25 116.15 1xfx h VAL 360 Ca 0.16 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.51 1xfx h VAL 360 Cb 0.06 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.14 1xfx h VAL 360 CO -0.11 0.00 0.26 0.00 -1.01 0.00 0.00 177.57 176.71 1xfx n ALA 361 N -2.53 -0.57 -0.32 3.17 0.00 -1.07 -1.72 120.51 117.48 1xfx n ALA 361 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1xfx n ALA 361 Cb 0.46 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1xfx n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfx n GLY 362 N 1.51 0.78 3.48 0.00 0.00 -0.59 -4.92 105.19 105.44 1xfx n GLY 362 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1xfx n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfx s TYR 363 N -2.22 2.13 -0.96 1.61 1.51 -0.70 -4.47 117.35 114.24 1xfx s TYR 363 Ca 0.00 -0.65 -0.11 0.00 -1.01 0.00 0.00 57.07 55.29 1xfx s TYR 363 Cb 0.00 -1.25 0.25 0.00 -0.11 0.00 0.00 41.96 40.85 1xfx s TYR 363 CO 0.00 0.37 0.93 0.42 -1.11 0.00 0.00 175.55 176.15 1xfx s ILE 364 N -2.89 5.73 -0.14 2.71 -1.09 -1.20 -3.25 121.20 121.07 1xfx s ILE 364 Ca 0.31 -2.98 -0.38 0.00 -2.23 0.00 0.00 60.65 55.38 1xfx s ILE 364 Cb 0.04 -4.49 -0.15 0.00 -1.58 0.00 0.00 42.46 36.28 1xfx s ILE 364 CO 0.14 -1.10 1.71 -0.81 -1.23 0.00 0.00 174.94 173.65 1xfx n PRO 365 N 3.31 1.50 -0.08 2.79 -0.04 -1.26 -1.61 135.00 139.60 1xfx n PRO 365 Ca 0.19 0.55 0.16 0.00 -0.04 0.00 0.00 63.50 64.36 1xfx n PRO 365 Cb 0.43 -2.28 0.57 0.00 -0.04 0.00 0.00 33.50 32.18 1xfx n PRO 365 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1xfx h PHE 366 N 7.27 0.30 -3.44 0.54 3.57 -1.52 -3.30 116.94 120.36 1xfx h PHE 366 Ca -0.47 0.01 -0.61 0.00 3.53 0.00 0.00 57.97 60.43 1xfx h PHE 366 Cb 1.30 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.84 1xfx h PHE 366 CO 0.76 0.12 0.35 0.34 -2.23 0.00 0.00 178.31 177.66 1xfx s ASP 367 N -6.12 6.65 0.42 0.41 2.15 -1.26 -4.78 116.67 114.13 1xfx s ASP 367 Ca -0.07 0.66 0.26 0.00 0.43 0.00 0.00 52.55 53.83 1xfx s ASP 367 Cb 0.20 -2.39 0.69 0.00 -0.30 0.00 0.00 42.92 41.12 1xfx s ASP 367 CO 0.75 -0.57 1.73 1.56 -0.17 0.00 0.00 175.17 178.47 1xfx h GLN 368 N 8.08 0.00 0.00 4.34 1.08 -1.89 -2.93 115.11 123.79 1xfx h GLN 368 Ca -0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.95 1xfx h GLN 368 Cb 1.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.53 1xfx h GLN 368 CO 0.86 0.00 0.00 -3.47 -0.95 0.00 0.00 178.83 175.27 1xfx n ASP 369 N -2.93 0.00 -1.67 1.46 2.03 -1.26 -1.47 116.55 112.71 1xfx n ASP 369 Ca 0.03 0.25 0.09 0.00 0.52 0.00 0.00 54.79 55.68 1xfx n ASP 369 Cb 0.45 -0.36 0.37 0.00 -0.72 0.00 0.00 41.12 40.85 1xfx n ASP 369 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1xfx n LEU 370 N -1.36 5.00 -4.75 -2.67 4.77 -1.11 -4.51 117.00 112.38 1xfx n LEU 370 Ca 0.05 -2.54 -0.32 0.00 -0.03 0.00 0.00 56.01 53.17 1xfx n LEU 370 Cb 0.12 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1xfx n LEU 370 CO 0.10 0.79 -0.26 -0.94 -1.33 0.00 0.00 177.39 175.75 1xfx s SER 371 N -0.88 4.11 0.24 -1.43 1.04 -0.54 -4.79 113.70 111.44 1xfx s SER 371 Ca 0.53 -1.62 -0.13 0.00 0.48 0.00 0.00 55.95 55.21 1xfx s SER 371 Cb 0.35 0.41 0.31 0.00 0.10 0.00 0.00 66.02 67.19 1xfx s SER 371 CO 0.24 -0.81 1.49 2.29 0.98 0.00 0.00 173.24 177.43 1xfx n LYS 372 N -1.23 -0.17 -0.39 4.02 2.85 -1.12 -0.91 118.16 121.21 1xfx n LYS 372 Ca -0.17 1.48 -0.04 0.00 -1.05 0.00 0.00 58.31 58.53 1xfx n LYS 372 Cb 0.67 -2.20 -0.05 0.00 -0.65 0.00 0.00 35.03 32.80 1xfx n LYS 372 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xfx n LYS 373 N -5.47 0.79 -2.44 -1.58 4.76 -1.26 -4.80 118.16 108.16 1xfx n LYS 373 Ca 0.12 -0.31 -0.43 0.00 -2.87 0.00 0.00 58.31 54.82 1xfx n LYS 373 Cb 0.42 -1.56 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1xfx n LYS 373 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1xfx s HIS 374 N 1.67 2.52 0.00 2.13 5.65 -0.09 -2.87 115.29 124.31 1xfx s HIS 374 Ca 0.21 0.66 0.00 0.00 0.25 0.00 0.00 55.06 56.18 1xfx s HIS 374 Cb 0.10 -4.37 0.00 0.00 -1.18 0.00 0.00 32.58 27.13 1xfx s HIS 374 CO 0.00 -1.75 0.00 0.41 -0.65 0.00 0.00 174.74 172.75 1xfx n GLY 375 N 5.03 1.03 3.55 1.59 0.00 -1.26 -5.01 105.19 110.13 1xfx n GLY 375 Ca 0.15 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1xfx n GLY 375 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xfx n GLN 376 N 0.00 0.56 0.12 1.61 3.00 -1.14 -4.70 117.38 116.84 1xfx n GLN 376 Ca 0.00 -1.86 0.03 0.00 -0.01 0.00 0.00 57.00 55.16 1xfx n GLN 376 Cb 0.00 -3.70 0.14 0.00 0.00 0.00 0.00 30.24 26.68 1xfx n GLN 376 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1xfx n GLN 377 N 8.11 0.04 -0.04 -1.09 0.00 -1.26 -0.68 117.38 122.46 1xfx n GLN 377 Ca 0.43 0.42 -0.04 0.00 -0.00 0.00 0.00 57.00 57.81 1xfx n GLN 377 Cb 0.46 -2.08 -0.06 0.00 0.00 0.00 0.00 30.24 28.56 1xfx n GLN 377 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1xfx n LEU 378 N -1.70 0.28 -0.04 1.69 7.94 -1.26 -3.57 117.00 120.34 1xfx n LEU 378 Ca -0.00 -0.01 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1xfx n LEU 378 Cb 0.46 0.14 -0.08 0.00 0.53 0.00 0.00 43.42 44.47 1xfx n LEU 378 CO 0.02 0.24 0.56 0.00 -1.11 0.00 0.00 177.39 177.10 1xfx h ALA 379 N 0.35 0.14 0.04 1.96 0.00 -1.25 0.41 119.26 120.91 1xfx h ALA 379 Ca -0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xfx h ALA 379 Cb 1.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1xfx h ALA 379 CO 0.01 0.05 -0.02 0.28 0.00 0.00 0.00 179.25 179.56 1xfx h VAL 380 N -0.18 1.04 -0.85 0.00 2.07 -1.21 3.13 116.25 120.24 1xfx h VAL 380 Ca 0.01 -0.23 0.21 0.00 0.82 0.00 0.00 66.70 67.51 1xfx h VAL 380 Cb 0.73 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1xfx h VAL 380 CO 0.04 0.06 0.58 -0.08 0.02 0.00 0.00 177.57 178.18 1xfx h GLU 381 N -0.15 0.23 0.00 1.57 4.57 -1.59 0.35 114.58 119.56 1xfx h GLU 381 Ca -0.01 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xfx h GLU 381 Cb 0.13 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1xfx h GLU 381 CO 0.01 0.15 -1.57 1.17 -1.18 0.00 0.00 179.01 177.60 1xfx n LYS 382 N -4.42 0.50 0.02 1.92 4.81 0.13 -3.70 118.16 117.41 1xfx n LYS 382 Ca 0.18 -0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 1xfx n LYS 382 Cb 0.76 -1.57 -0.09 0.00 0.02 0.00 0.00 35.03 34.14 1xfx n LYS 382 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1xfx h GLY 383 N 4.23 -0.10 0.69 3.14 0.00 0.94 -2.93 103.07 109.03 1xfx h GLY 383 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1xfx h GLY 383 CO 0.00 -0.04 -0.01 3.43 0.00 0.00 0.00 176.54 179.93 1xfx h ASN 384 N -0.64 -0.09 -0.19 0.19 2.35 -0.91 0.50 115.58 116.79 1xfx h ASN 384 Ca -0.01 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1xfx h ASN 384 Cb 0.54 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1xfx h ASN 384 CO 0.02 -0.02 0.78 0.25 -1.65 0.00 0.00 177.43 176.81 1xfx h LEU 385 N 0.05 0.00 0.00 1.61 7.12 -1.62 0.15 115.31 122.62 1xfx h LEU 385 Ca 0.09 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.88 1xfx h LEU 385 Cb 0.12 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.21 1xfx h LEU 385 CO -0.16 0.00 -1.86 1.21 -0.13 0.00 0.00 178.44 177.50 1xfx n GLU 386 N -2.84 0.65 0.08 1.25 4.07 0.16 -3.61 120.64 120.40 1xfx n GLU 386 Ca 0.03 0.09 -0.18 0.00 -0.06 0.00 0.00 57.16 57.04 1xfx n GLU 386 Cb 0.86 -1.67 -0.10 0.00 -0.06 0.00 0.00 31.44 30.47 1xfx n GLU 386 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1xfx h ASN 387 N 0.00 0.70 0.62 4.31 -0.26 -0.87 -1.43 115.58 118.66 1xfx h ASN 387 Ca -0.28 -0.63 -0.02 0.00 -0.56 0.00 0.00 56.30 54.81 1xfx h ASN 387 Cb 1.77 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.80 1xfx h ASN 387 CO 0.04 1.44 -0.41 0.11 -1.06 0.00 0.00 177.43 177.55 1xfx h LYS 388 N 0.25 -0.95 -0.65 0.81 1.57 -1.64 -0.15 116.57 115.80 1xfx h LYS 388 Ca -0.14 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1xfx h LYS 388 Cb 1.79 0.22 -0.06 0.00 0.08 0.00 0.00 32.23 34.26 1xfx h LYS 388 CO 0.21 -0.63 0.34 -0.22 -0.57 0.00 0.00 179.45 178.57 1xfx h LYS 389 N -0.99 0.59 -0.96 3.15 3.64 -1.64 1.35 116.57 121.71 1xfx h LYS 389 Ca -0.08 -0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.53 1xfx h LYS 389 Cb 0.81 -0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 32.36 1xfx h LYS 389 CO 0.06 0.39 0.49 0.77 -2.27 0.00 0.00 179.45 178.89 1xfx h SER 390 N 0.60 0.46 0.00 4.20 0.02 -0.58 0.24 113.55 118.50 1xfx h SER 390 Ca 0.31 0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 61.32 1xfx h SER 390 Cb 0.26 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1xfx h SER 390 CO -0.22 -0.02 -0.56 0.40 -1.14 0.00 0.00 176.83 175.29 1xfx h ILE 391 N 0.42 1.19 -0.29 3.27 2.04 0.97 -2.88 117.51 122.24 1xfx h ILE 391 Ca 0.63 -2.10 0.03 0.00 1.00 0.00 0.00 64.86 64.42 1xfx h ILE 391 Cb 1.28 2.46 -0.04 0.00 -0.74 0.00 0.00 36.82 39.79 1xfx h ILE 391 CO -0.54 0.40 -0.19 0.74 0.00 0.00 0.00 178.15 178.56 1xfx h THR 392 N -1.00 0.00 -0.19 -0.27 2.02 0.23 -1.65 112.91 112.04 1xfx h THR 392 Ca -0.15 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1xfx h THR 392 Cb 1.03 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1xfx h THR 392 CO -0.09 0.00 0.10 -0.33 0.37 0.00 0.00 175.52 175.57 1xfx h GLU 393 N -0.02 0.21 -1.86 6.66 5.08 -0.73 -3.30 114.58 120.62 1xfx h GLU 393 Ca 0.05 -0.01 -0.70 0.00 -1.00 0.00 0.00 59.36 57.69 1xfx h GLU 393 Cb 0.14 -0.05 -0.33 0.00 0.50 0.00 0.00 28.75 29.01 1xfx h GLU 393 CO -0.28 0.14 0.33 0.72 -1.00 0.00 0.00 179.01 178.92 1xfx n HIS 394 N -4.99 3.18 -1.34 4.33 8.25 -1.07 -5.05 115.22 118.54 1xfx n HIS 394 Ca -0.03 -2.72 -0.35 0.00 -0.26 0.00 0.00 57.72 54.36 1xfx n HIS 394 Cb 0.05 -0.76 0.10 0.00 1.12 0.00 0.00 29.99 30.50 1xfx n HIS 394 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1xfx n GLU 395 N -0.47 0.51 0.00 -0.41 -0.00 -0.65 -0.85 120.64 118.78 1xfx n GLU 395 Ca 0.47 0.24 0.00 0.00 -0.00 0.00 0.00 57.16 57.87 1xfx n GLU 395 Cb 0.40 -2.38 0.00 0.00 -0.00 0.00 0.00 31.44 29.45 1xfx n GLU 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xfx n GLY 396 N 0.83 2.56 0.01 -1.84 0.00 -1.26 -4.57 105.19 100.93 1xfx n GLY 396 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1xfx n GLY 396 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xfx n GLU 397 N 0.00 1.23 -4.00 1.61 4.71 -1.02 -4.59 120.64 118.59 1xfx n GLU 397 Ca 0.00 -0.03 -0.21 0.00 -0.01 0.00 0.00 57.16 56.91 1xfx n GLU 397 Cb 0.00 -1.12 -0.17 0.00 -1.01 0.00 0.00 31.44 29.14 1xfx n GLU 397 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xfx s ILE 398 N -2.28 0.48 0.00 -3.67 -1.09 -0.03 0.18 121.20 114.79 1xfx s ILE 398 Ca -0.02 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 1xfx s ILE 398 Cb 0.03 -0.56 0.00 0.00 -1.58 0.00 0.00 42.46 40.35 1xfx s ILE 398 CO 0.21 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 1xfx n GLY 399 N 4.48 1.75 3.39 6.18 0.00 -0.57 -4.38 105.19 116.04 1xfx n GLY 399 Ca -0.18 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 1xfx n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfx s LYS 400 N -0.04 1.41 0.09 1.61 0.00 -1.26 0.32 119.74 121.88 1xfx s LYS 400 Ca 0.00 -1.40 -0.08 0.00 0.00 0.00 0.00 55.97 54.49 1xfx s LYS 400 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 37.83 36.03 1xfx s LYS 400 CO 0.00 0.41 0.18 0.96 0.00 0.00 0.00 175.35 176.90 1xfx s ILE 401 N -1.37 0.14 0.23 3.79 -4.36 -0.77 -4.93 121.20 113.92 1xfx s ILE 401 Ca 0.16 -1.26 -0.30 0.00 -0.26 0.00 0.00 60.65 58.99 1xfx s ILE 401 Cb -0.09 -1.42 -0.09 0.00 1.25 0.00 0.00 42.46 42.11 1xfx s ILE 401 CO 0.07 -0.63 1.35 -2.84 0.24 0.00 0.00 174.94 173.13 1xfx s PRO 402 N -3.88 4.35 -0.26 0.37 0.02 -1.26 -0.46 135.00 133.88 1xfx s PRO 402 Ca 0.07 2.15 -0.29 0.00 0.02 0.00 0.00 61.00 62.95 1xfx s PRO 402 Cb 0.05 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.39 1xfx s PRO 402 CO -0.10 -0.30 1.85 -1.17 -0.33 0.00 0.00 177.00 176.95 1xfx s LEU 403 N -0.37 3.64 -0.69 -5.54 2.96 0.23 -4.87 118.68 114.05 1xfx s LEU 403 Ca 0.57 1.58 0.04 0.00 -0.22 0.00 0.00 54.13 56.10 1xfx s LEU 403 Cb -0.39 -3.52 0.27 0.00 0.50 0.00 0.00 46.19 43.05 1xfx s LEU 403 CO 0.41 -1.61 0.90 0.29 -1.32 0.00 0.00 176.35 175.02 1xfx n LYS 404 N 8.25 2.96 -1.55 1.98 5.02 -1.26 -1.87 118.16 131.69 1xfx n LYS 404 Ca 0.23 -4.69 -0.48 0.00 -2.02 0.00 0.00 58.31 51.35 1xfx n LYS 404 Cb 0.46 -2.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.14 1xfx n LYS 404 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xfx n LEU 405 N 0.71 1.04 0.00 -0.35 4.32 -1.25 -4.89 117.00 116.57 1xfx n LEU 405 Ca 0.30 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.44 1xfx n LEU 405 Cb 0.39 -1.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.02 1xfx n LEU 405 CO 0.44 -1.65 0.00 -0.90 -1.22 0.00 0.00 177.39 174.06 1xfx n ASP 406 N 1.77 0.00 0.00 -1.43 5.75 -1.26 -4.67 116.55 116.71 1xfx n ASP 406 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 1xfx n ASP 406 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1xfx n ASP 406 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1xfx n HIS 407 N 0.00 0.00 -0.32 2.11 8.25 -1.26 -3.94 115.22 120.06 1xfx n HIS 407 Ca 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.63 1xfx n HIS 407 Cb 0.00 -0.21 0.41 0.00 1.12 0.00 0.00 29.99 31.31 1xfx n HIS 407 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xfx h LEU 408 N 0.00 0.61 -0.53 2.41 4.07 -2.00 -1.92 115.31 117.96 1xfx h LEU 408 Ca 0.00 0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.14 1xfx h LEU 408 Cb 0.00 -0.02 -0.08 0.00 1.08 0.00 0.00 40.66 41.65 1xfx h LEU 408 CO 0.00 0.19 0.10 -0.09 -1.08 0.00 0.00 178.44 177.55 1xfx h ARG 409 N 0.58 0.22 0.48 1.13 9.65 -1.97 -0.72 114.38 123.75 1xfx h ARG 409 Ca 0.57 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.42 1xfx h ARG 409 Cb 1.15 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.66 1xfx h ARG 409 CO -0.33 0.15 -0.38 0.82 2.80 0.00 0.00 179.97 183.02 1xfx h ILE 410 N 0.23 0.22 -0.02 1.20 1.08 -1.47 0.17 117.51 118.93 1xfx h ILE 410 Ca 0.27 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 1xfx h ILE 410 Cb 0.38 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1xfx h ILE 410 CO -0.36 0.00 0.09 -0.33 -0.69 0.00 0.00 178.15 176.86 1xfx h GLU 411 N -0.85 0.00 0.02 2.37 5.08 -1.53 -1.88 114.58 117.80 1xfx h GLU 411 Ca -0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1xfx h GLU 411 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xfx h GLU 411 CO -0.01 0.00 -0.23 1.49 -1.00 0.00 0.00 179.01 179.26 1xfx h GLU 412 N 0.00 0.05 0.00 2.33 4.81 0.18 -3.02 114.58 118.93 1xfx h GLU 412 Ca 0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xfx h GLU 412 Cb 0.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1xfx h GLU 412 CO -0.00 1.04 0.00 1.28 -0.73 0.00 0.00 179.01 180.60 1xfx n LEU 413 N -4.51 0.00 -0.00 1.64 4.77 0.49 -2.48 117.00 116.90 1xfx n LEU 413 Ca -0.12 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1xfx n LEU 413 Cb 0.55 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1xfx n LEU 413 CO 0.35 0.00 -0.01 1.17 -1.33 0.00 0.00 177.39 177.58 1xfx n LYS 414 N -0.75 0.01 0.00 3.23 0.00 -0.77 -0.76 118.16 119.11 1xfx n LYS 414 Ca 0.08 0.23 0.05 0.00 0.00 0.00 0.00 58.31 58.66 1xfx n LYS 414 Cb 0.04 -0.74 0.28 0.00 0.00 0.00 0.00 35.03 34.60 1xfx n LYS 414 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xfx n GLU 415 N -2.31 0.31 -0.13 1.64 0.00 -1.15 0.88 120.64 119.88 1xfx n GLU 415 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.24 1xfx n GLU 415 Cb 0.00 -1.47 0.14 0.00 0.00 0.00 0.00 31.44 30.12 1xfx n GLU 415 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1xfx n ASN 416 N -0.97 2.82 -3.93 -1.84 2.85 -1.03 -5.01 115.26 108.15 1xfx n ASN 416 Ca 0.07 -1.83 -0.34 0.00 -0.11 0.00 0.00 54.58 52.37 1xfx n ASN 416 Cb 0.03 -0.17 0.01 0.00 1.24 0.00 0.00 39.78 40.89 1xfx n ASN 416 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xfx n GLY 417 N 0.89 -0.65 0.05 8.20 0.00 0.25 -4.88 105.19 109.05 1xfx n GLY 417 Ca 0.13 0.31 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 1xfx n GLY 417 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xfx n ILE 418 N -4.52 0.60 -4.12 -0.61 2.08 0.06 -5.03 119.36 107.82 1xfx n ILE 418 Ca -0.18 -0.28 -0.12 0.00 0.56 0.00 0.00 62.75 62.73 1xfx n ILE 418 Cb 0.62 -0.84 -0.11 0.00 -0.75 0.00 0.00 39.64 38.56 1xfx n ILE 418 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1xfx s ILE 419 N -2.21 0.68 -0.22 1.39 -4.36 -0.63 -3.64 121.20 112.20 1xfx s ILE 419 Ca -0.11 -1.50 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 1xfx s ILE 419 Cb 0.03 -1.15 0.06 0.00 1.25 0.00 0.00 42.46 42.65 1xfx s ILE 419 CO 0.28 -0.60 -0.04 -0.22 0.24 0.00 0.00 174.94 174.61 1xfx s LEU 420 N -2.28 2.26 -0.26 0.37 1.98 -0.61 -4.39 118.68 115.75 1xfx s LEU 420 Ca 0.01 -1.07 -0.24 0.00 -2.89 0.00 0.00 54.13 49.94 1xfx s LEU 420 Cb -0.03 -1.07 -0.00 0.00 0.66 0.00 0.00 46.19 45.75 1xfx s LEU 420 CO -0.02 -0.24 0.80 -0.75 -1.89 0.00 0.00 176.35 174.25 1xfx s LYS 421 N 1.49 4.12 0.00 1.98 2.20 -1.26 -1.41 119.74 126.85 1xfx s LYS 421 Ca -0.04 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1xfx s LYS 421 Cb -0.18 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1xfx s LYS 421 CO -0.07 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 1xfx n GLY 422 N 3.92 4.81 2.89 5.54 0.00 -1.16 -5.03 105.19 116.17 1xfx n GLY 422 Ca 0.04 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1xfx n GLY 422 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfx n LYS 423 N 0.00 0.00 -2.26 1.61 4.81 -1.26 -4.43 118.16 116.63 1xfx n LYS 423 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1xfx n LYS 423 Cb 0.00 -0.88 0.02 0.00 0.02 0.00 0.00 35.03 34.19 1xfx n LYS 423 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1xfx n LYS 424 N 1.16 0.97 -3.67 1.64 5.02 -1.26 -1.10 118.16 120.91 1xfx n LYS 424 Ca 0.10 -1.54 -0.01 0.00 -2.02 0.00 0.00 58.31 54.85 1xfx n LYS 424 Cb 0.34 0.03 -0.01 0.00 -0.02 0.00 0.00 35.03 35.38 1xfx n LYS 424 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xfx s GLU 425 N -3.14 0.74 0.00 1.97 2.56 -0.19 -4.74 118.70 115.90 1xfx s GLU 425 Ca 0.21 -0.40 0.07 0.00 0.00 0.00 0.00 54.97 54.84 1xfx s GLU 425 Cb -0.02 0.25 -0.02 0.00 2.00 0.00 0.00 34.13 36.35 1xfx s GLU 425 CO 0.14 -0.34 -0.21 0.42 -0.56 0.00 0.00 175.26 174.71 1xfx s ILE 426 N -2.80 1.63 -0.27 -3.70 -1.09 -1.26 -2.08 121.20 111.63 1xfx s ILE 426 Ca 0.13 -0.97 -0.17 0.00 -2.23 0.00 0.00 60.65 57.41 1xfx s ILE 426 Cb 0.02 -1.37 0.08 0.00 -1.58 0.00 0.00 42.46 39.60 1xfx s ILE 426 CO -0.01 0.38 0.67 -0.62 -1.23 0.00 0.00 174.94 174.13 1xfx s ASP 427 N -0.69 -0.87 -0.89 3.58 3.68 -0.70 -4.92 116.67 115.87 1xfx s ASP 427 Ca 0.08 1.45 0.00 0.00 2.13 0.00 0.00 52.55 56.20 1xfx s ASP 427 Cb -0.08 1.34 0.00 0.00 -1.45 0.00 0.00 42.92 42.73 1xfx s ASP 427 CO -0.00 -0.24 0.00 0.59 0.13 0.00 0.00 175.17 175.65 1xfx n ASN 428 N 4.01 -2.52 0.00 -0.34 3.02 -1.26 0.82 115.26 119.00 1xfx n ASN 428 Ca -0.19 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1xfx n ASN 428 Cb 0.58 -2.42 0.00 0.00 -0.61 0.00 0.00 39.78 37.33 1xfx n ASN 428 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xfx n GLY 429 N -0.31 0.75 3.47 7.41 0.00 -1.26 -5.06 105.19 110.19 1xfx n GLY 429 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1xfx n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfx s LYS 430 N -0.54 1.88 0.16 1.61 1.02 0.24 -5.12 119.74 119.00 1xfx s LYS 430 Ca 0.00 -1.11 -0.22 0.00 0.02 0.00 0.00 55.97 54.66 1xfx s LYS 430 Cb 0.00 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.10 1xfx s LYS 430 CO 0.00 0.50 0.71 0.15 -0.92 0.00 0.00 175.35 175.79 1xfx s LYS 431 N -1.82 4.38 -0.09 1.68 1.02 -1.26 -1.72 119.74 121.92 1xfx s LYS 431 Ca 0.16 0.96 -0.02 0.00 0.02 0.00 0.00 55.97 57.09 1xfx s LYS 431 Cb -0.10 -3.14 0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1xfx s LYS 431 CO 0.08 0.54 0.04 0.71 -0.92 0.00 0.00 175.35 175.79 1xfx s TYR 432 N -1.25 0.43 -0.51 3.18 4.12 -0.88 -2.29 117.35 120.14 1xfx s TYR 432 Ca 0.36 -0.12 -0.22 0.00 0.02 0.00 0.00 57.07 57.11 1xfx s TYR 432 Cb -0.20 -0.70 0.04 0.00 -1.52 0.00 0.00 41.96 39.58 1xfx s TYR 432 CO 0.23 -0.34 0.81 0.71 0.02 0.00 0.00 175.55 176.98 1xfx s TYR 433 N 2.05 2.92 0.04 2.71 1.51 -1.01 -1.02 117.35 124.55 1xfx s TYR 433 Ca 0.04 -0.10 -0.37 0.00 -1.01 0.00 0.00 57.07 55.63 1xfx s TYR 433 Cb -0.13 -3.79 -0.16 0.00 -0.11 0.00 0.00 41.96 37.77 1xfx s TYR 433 CO -0.05 -1.15 1.47 -0.11 -1.11 0.00 0.00 175.55 174.59 1xfx n LEU 434 N 6.88 2.09 -4.20 -1.29 -0.00 -0.26 -3.16 117.00 117.06 1xfx n LEU 434 Ca -0.00 1.10 -0.40 0.00 -0.00 0.00 0.00 56.01 56.70 1xfx n LEU 434 Cb 0.47 -1.23 -0.09 0.00 -0.00 0.00 0.00 43.42 42.57 1xfx n LEU 434 CO 0.59 -0.78 -0.04 -0.76 -0.00 0.00 0.00 177.39 176.40 1xfx s LEU 435 N 1.19 5.62 0.52 -1.96 1.43 0.23 -2.98 118.68 122.72 1xfx s LEU 435 Ca 0.86 -1.92 -0.18 0.00 -1.03 0.00 0.00 54.13 51.85 1xfx s LEU 435 Cb -0.91 -1.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 1xfx s LEU 435 CO 0.48 -0.67 1.03 -0.70 0.23 0.00 0.00 176.35 176.72 1xfx s GLU 436 N 1.33 3.72 -0.29 1.70 2.56 -0.50 -3.60 118.70 123.62 1xfx s GLU 436 Ca 0.06 1.23 -0.12 0.00 0.00 0.00 0.00 54.97 56.14 1xfx s GLU 436 Cb -0.26 -2.09 0.11 0.00 2.00 0.00 0.00 34.13 33.89 1xfx s GLU 436 CO -0.01 -0.48 0.66 0.45 -0.56 0.00 0.00 175.26 175.32 1xfx s SER 437 N -2.39 -1.06 0.00 -1.70 0.15 -1.26 -1.57 113.70 105.86 1xfx s SER 437 Ca 0.64 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.84 1xfx s SER 437 Cb -0.15 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1xfx s SER 437 CO 0.26 -0.23 0.00 -3.20 1.20 0.00 0.00 173.24 171.27 1xfx n ASN 438 N 5.02 0.00 -4.67 5.45 4.05 -1.26 -4.71 115.26 119.14 1xfx n ASN 438 Ca -0.15 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.58 1xfx n ASN 438 Cb 0.53 0.00 0.16 0.00 1.23 0.00 0.00 39.78 41.70 1xfx n ASN 438 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1xfx s ASN 439 N -1.19 3.02 -0.17 1.20 3.84 -1.26 -4.98 114.94 115.40 1xfx s ASN 439 Ca 0.00 1.78 0.14 0.00 0.21 0.00 0.00 52.86 54.98 1xfx s ASN 439 Cb 0.00 -2.38 0.40 0.00 -0.55 0.00 0.00 41.25 38.71 1xfx s ASN 439 CO 0.00 -2.97 1.20 0.00 -2.79 0.00 0.00 177.10 172.54 1xfx n GLN 440 N -4.12 1.33 0.00 0.43 10.64 -1.26 -4.75 117.38 119.65 1xfx n GLN 440 Ca 0.08 -3.02 0.00 0.00 -1.83 0.00 0.00 57.00 52.23 1xfx n GLN 440 Cb 0.54 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 1xfx n GLN 440 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1xfx n VAL 441 N -0.94 0.00 -5.14 -0.39 0.31 -1.26 -4.95 118.33 105.96 1xfx n VAL 441 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.20 1xfx n VAL 441 Cb 0.74 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.51 1xfx n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1xfx s TYR 442 N -0.39 2.14 0.12 3.52 4.12 -1.26 -1.40 117.35 124.20 1xfx s TYR 442 Ca 0.00 -0.51 0.07 0.00 0.02 0.00 0.00 57.07 56.65 1xfx s TYR 442 Cb 0.00 -1.40 -0.04 0.00 -1.52 0.00 0.00 41.96 39.00 1xfx s TYR 442 CO 0.00 -0.11 -0.08 -1.21 0.02 0.00 0.00 175.55 174.16 1xfx s GLU 443 N -0.33 2.18 0.05 -0.62 2.02 -1.03 -4.75 118.70 116.21 1xfx s GLU 443 Ca 0.03 -1.04 0.03 0.00 0.02 0.00 0.00 54.97 54.01 1xfx s GLU 443 Cb -0.11 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 1xfx s GLU 443 CO 0.01 0.50 -0.09 -0.06 0.02 0.00 0.00 175.26 175.64 1xfx s PHE 444 N -1.31 0.79 -0.10 1.61 0.40 -1.24 -2.75 117.98 115.39 1xfx s PHE 444 Ca 0.23 -0.49 -0.13 0.00 -0.60 0.00 0.00 56.93 55.93 1xfx s PHE 444 Cb -0.11 -0.46 0.03 0.00 0.51 0.00 0.00 43.02 42.99 1xfx s PHE 444 CO 0.15 -0.05 0.35 -0.98 0.70 0.00 0.00 175.22 175.38 1xfx s ARG 445 N -1.60 0.50 -0.06 0.44 1.70 -0.62 -0.60 118.95 118.71 1xfx s ARG 445 Ca -0.08 0.28 0.03 0.00 -0.47 0.00 0.00 55.73 55.49 1xfx s ARG 445 Cb -0.10 0.24 -0.02 0.00 -0.57 0.00 0.00 34.95 34.49 1xfx s ARG 445 CO 0.01 -0.09 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.50 1xfx s ILE 446 N -0.30 3.11 1.23 4.99 2.07 -1.19 -0.36 121.20 130.76 1xfx s ILE 446 Ca -0.04 -0.70 -0.17 0.00 -1.41 0.00 0.00 60.65 58.33 1xfx s ILE 446 Cb -0.03 -2.23 0.30 0.00 0.13 0.00 0.00 42.46 40.63 1xfx s ILE 446 CO 0.02 0.59 1.02 -0.55 -1.91 0.00 0.00 174.94 174.10 1xfx s SER 447 N -0.63 0.50 -0.12 4.50 0.15 -0.24 -2.40 113.70 115.47 1xfx s SER 447 Ca 0.09 1.11 -0.05 0.00 0.70 0.00 0.00 55.95 57.80 1xfx s SER 447 Cb -0.11 -1.67 -0.06 0.00 -1.71 0.00 0.00 66.02 62.47 1xfx s SER 447 CO 0.01 -4.44 -0.15 -0.67 1.20 0.00 0.00 173.24 169.20 1xfx n ASP 448 N -5.03 1.40 0.01 5.45 -0.08 -0.97 -4.51 116.55 112.81 1xfx n ASP 448 Ca 0.08 0.10 -0.09 0.00 -1.51 0.00 0.00 54.79 53.37 1xfx n ASP 448 Cb 0.57 -0.33 -0.06 0.00 2.34 0.00 0.00 41.12 43.65 1xfx n ASP 448 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1xfx h GLU 449 N -0.35 -0.35 -6.47 -0.67 4.81 -1.96 -3.41 114.58 106.17 1xfx h GLU 449 Ca -0.31 0.02 -0.63 0.00 -0.13 0.00 0.00 59.36 58.32 1xfx h GLU 449 Cb 1.31 0.08 -0.18 0.00 0.63 0.00 0.00 28.75 30.59 1xfx h GLU 449 CO -0.16 -0.23 -0.81 0.54 -0.73 0.00 0.00 179.01 177.61 1xfx s ASN 450 N -3.90 3.32 -0.04 1.04 4.22 -1.26 -5.04 114.94 113.28 1xfx s ASN 450 Ca -0.09 -0.88 0.02 0.00 -2.14 0.00 0.00 52.86 49.77 1xfx s ASN 450 Cb 0.04 -0.24 0.11 0.00 1.28 0.00 0.00 41.25 42.44 1xfx s ASN 450 CO 0.36 0.09 0.73 0.59 -2.04 0.00 0.00 177.10 176.84 1xfx n ASN 451 N 0.21 1.85 -4.17 3.54 4.13 -1.26 -4.12 115.26 115.44 1xfx n ASN 451 Ca -0.12 -2.14 -0.35 0.00 1.68 0.00 0.00 54.58 53.65 1xfx n ASN 451 Cb 0.56 -0.53 0.08 0.00 -1.54 0.00 0.00 39.78 38.35 1xfx n ASN 451 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1xfx n GLU 452 N 0.11 -0.20 -4.42 3.52 1.02 -1.26 -3.95 120.64 115.46 1xfx n GLU 452 Ca 0.04 -0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.94 1xfx n GLU 452 Cb 0.42 -1.36 -0.14 0.00 -0.02 0.00 0.00 31.44 30.35 1xfx n GLU 452 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xfx s VAL 453 N -2.16 1.11 0.22 2.62 1.01 -0.78 -1.08 120.40 121.34 1xfx s VAL 453 Ca 0.47 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1xfx s VAL 453 Cb -0.17 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1xfx s VAL 453 CO 0.75 0.08 0.03 -1.10 0.00 0.00 0.00 175.10 174.86 1xfx s GLN 454 N -0.94 1.29 0.24 2.72 -0.21 0.51 0.05 119.66 123.33 1xfx s GLN 454 Ca 0.03 -1.66 -0.19 0.00 0.02 0.00 0.00 55.36 53.55 1xfx s GLN 454 Cb -0.07 -0.39 0.03 0.00 1.00 0.00 0.00 33.01 33.57 1xfx s GLN 454 CO 0.01 -0.17 0.62 1.52 -2.12 0.00 0.00 175.29 175.14 1xfx s TYR 455 N -3.61 -0.15 0.26 0.91 -0.00 0.19 -1.59 117.35 113.37 1xfx s TYR 455 Ca 0.30 -0.23 -0.19 0.00 -0.00 0.00 0.00 57.07 56.96 1xfx s TYR 455 Cb 0.07 0.54 0.02 0.00 -0.00 0.00 0.00 41.96 42.58 1xfx s TYR 455 CO 0.09 -1.07 0.65 -1.59 -0.00 0.00 0.00 175.55 173.63 1xfx s LYS 456 N -3.89 1.70 -0.23 -3.49 -2.85 -1.11 -0.99 119.74 108.88 1xfx s LYS 456 Ca 0.10 -1.04 -0.22 0.00 -1.00 0.00 0.00 55.97 53.82 1xfx s LYS 456 Cb -0.03 0.57 -0.02 0.00 -2.06 0.00 0.00 37.83 36.29 1xfx s LYS 456 CO 0.02 -0.76 0.70 0.95 0.10 0.00 0.00 175.35 176.36 1xfx s THR 457 N -3.94 4.95 0.42 3.79 -4.23 -0.25 -2.47 115.64 113.92 1xfx s THR 457 Ca 0.14 1.31 -0.22 0.00 -1.18 0.00 0.00 61.69 61.73 1xfx s THR 457 Cb -0.04 -4.00 -0.13 0.00 1.34 0.00 0.00 72.50 69.66 1xfx s THR 457 CO 0.07 0.02 0.42 0.29 -0.54 0.00 0.00 174.62 174.88 1xfx n LYS 458 N 5.57 0.41 0.00 3.99 5.02 -0.49 -4.72 118.16 127.94 1xfx n LYS 458 Ca 0.01 0.15 0.01 0.00 -2.02 0.00 0.00 58.31 56.47 1xfx n LYS 458 Cb 0.49 -1.38 0.06 0.00 -0.02 0.00 0.00 35.03 34.18 1xfx n LYS 458 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xfx n GLU 459 N 0.75 0.03 -0.91 1.97 1.02 -1.26 -2.02 120.64 120.22 1xfx n GLU 459 Ca 0.11 0.30 0.04 0.00 -0.02 0.00 0.00 57.16 57.60 1xfx n GLU 459 Cb 0.40 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.47 1xfx n GLU 459 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfx n GLY 460 N -1.10 4.02 0.00 0.62 0.00 -1.26 -5.07 105.19 102.40 1xfx n GLY 460 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1xfx n GLY 460 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfx n LYS 461 N -0.66 0.00 -3.72 1.61 3.00 -0.86 -5.11 118.16 112.42 1xfx n LYS 461 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.38 1xfx n LYS 461 Cb 0.82 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.82 1xfx n LYS 461 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1xfx s ILE 462 N -2.49 0.02 0.13 3.15 2.07 -1.26 -4.79 121.20 118.02 1xfx s ILE 462 Ca 0.00 -0.72 -0.25 0.00 -1.41 0.00 0.00 60.65 58.28 1xfx s ILE 462 Cb 0.00 -1.58 -0.07 0.00 0.13 0.00 0.00 42.46 40.94 1xfx s ILE 462 CO 0.00 -0.08 0.75 -0.89 -1.91 0.00 0.00 174.94 172.81 1xfx s THR 463 N -3.87 4.49 0.41 4.00 2.01 0.54 -4.95 115.64 118.28 1xfx s THR 463 Ca 0.09 1.63 0.16 0.00 0.31 0.00 0.00 61.69 63.88 1xfx s THR 463 Cb -0.02 -4.11 0.37 0.00 0.01 0.00 0.00 72.50 68.75 1xfx s THR 463 CO -0.02 0.49 1.87 -0.37 -0.69 0.00 0.00 174.62 175.90 1xfx h VAL 464 N 3.52 0.73 0.00 3.82 -1.51 -1.95 1.06 116.25 121.92 1xfx h VAL 464 Ca -0.47 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1xfx h VAL 464 Cb 1.21 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1xfx h VAL 464 CO 0.67 0.08 0.00 -0.07 -1.23 0.00 0.00 177.57 177.02 1xfx h LEU 465 N 0.45 0.00 0.00 4.19 4.07 -1.92 -3.45 115.31 118.64 1xfx h LEU 465 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.40 1xfx h LEU 465 Cb 1.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1xfx h LEU 465 CO -0.17 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.80 1xfx n GLY 466 N -0.37 1.54 3.91 0.83 0.00 0.37 -5.11 105.19 106.36 1xfx n GLY 466 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xfx n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xfx s GLU 467 N -0.36 3.36 -0.16 1.61 2.02 -1.17 -4.85 118.70 119.15 1xfx s GLU 467 Ca 0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 1xfx s GLU 467 Cb 0.00 -2.95 0.08 0.00 0.10 0.00 0.00 34.13 31.36 1xfx s GLU 467 CO 0.00 0.55 0.32 0.21 0.02 0.00 0.00 175.26 176.36 1xfx s LYS 468 N -2.93 0.21 0.20 1.61 2.20 -1.26 -0.34 119.74 119.44 1xfx s LYS 468 Ca 0.34 0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 56.70 1xfx s LYS 468 Cb -0.12 0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 36.22 1xfx s LYS 468 CO 0.27 -0.30 0.28 -0.59 -0.36 0.00 0.00 175.35 174.65 1xfx s PHE 469 N 2.49 0.70 0.27 4.03 -0.12 -1.26 -5.00 117.98 119.08 1xfx s PHE 469 Ca 0.01 -1.01 0.05 0.00 -0.05 0.00 0.00 56.93 55.93 1xfx s PHE 469 Cb -0.12 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.05 1xfx s PHE 469 CO -0.10 -0.77 0.40 -0.80 -0.05 0.00 0.00 175.22 173.90 1xfx s ASN 470 N -3.06 6.22 -0.03 1.98 0.01 -1.26 -1.09 114.94 117.71 1xfx s ASN 470 Ca 0.27 0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.41 1xfx s ASN 470 Cb 0.04 -1.68 -0.01 0.00 0.41 0.00 0.00 41.25 40.00 1xfx s ASN 470 CO 0.08 -0.18 0.11 0.79 -1.51 0.00 0.00 177.10 176.38 1xfx n TRP 471 N -1.49 0.06 -4.21 2.20 7.02 -1.25 -4.79 117.44 114.99 1xfx n TRP 471 Ca -0.06 0.04 -0.13 0.00 -1.02 0.00 0.00 57.50 56.33 1xfx n TRP 471 Cb 0.57 -0.12 -0.10 0.00 -2.42 0.00 0.00 31.31 29.24 1xfx n TRP 471 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1xfx s ARG 472 N 0.29 0.94 0.45 -0.99 0.52 -0.16 -4.93 118.95 115.07 1xfx s ARG 472 Ca 0.06 -1.36 -0.20 0.00 -0.52 0.00 0.00 55.73 53.71 1xfx s ARG 472 Cb -0.08 -0.46 -0.10 0.00 0.52 0.00 0.00 34.95 34.83 1xfx s ARG 472 CO 0.04 0.04 0.96 -0.80 0.02 0.00 0.00 175.30 175.56 1xfx s ASN 473 N -2.99 6.83 -0.44 0.23 -0.87 -1.26 -0.64 114.94 115.80 1xfx s ASN 473 Ca 0.13 1.70 -0.24 0.00 -1.57 0.00 0.00 52.86 52.88 1xfx s ASN 473 Cb 0.03 -2.54 0.02 0.00 -0.02 0.00 0.00 41.25 38.74 1xfx s ASN 473 CO -0.01 -0.44 0.81 -0.63 -2.57 0.00 0.00 177.10 174.26 1xfx s ILE 474 N -2.23 4.62 0.10 0.60 1.01 0.11 -4.83 121.20 120.58 1xfx s ILE 474 Ca 0.62 0.56 -0.12 0.00 0.00 0.00 0.00 60.65 61.71 1xfx s ILE 474 Cb -0.10 -4.33 -0.06 0.00 0.01 0.00 0.00 42.46 37.98 1xfx s ILE 474 CO 0.16 -0.70 0.46 -1.61 0.00 0.00 0.00 174.94 173.25 1xfx s GLU 475 N 3.36 3.86 0.18 2.79 2.02 -1.26 0.76 118.70 130.41 1xfx s GLU 475 Ca 0.32 0.32 0.08 0.00 0.02 0.00 0.00 54.97 55.70 1xfx s GLU 475 Cb -0.12 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 1xfx s GLU 475 CO 0.23 0.54 -0.16 0.14 0.02 0.00 0.00 175.26 176.03 1xfx s VAL 476 N -1.39 1.72 0.36 2.63 -7.23 0.40 -1.35 120.40 115.53 1xfx s VAL 476 Ca 0.34 -2.06 -0.26 0.00 -1.81 0.00 0.00 61.98 58.18 1xfx s VAL 476 Cb -0.15 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1xfx s VAL 476 CO 0.18 -0.49 1.10 -0.04 -0.31 0.00 0.00 175.10 175.55 1xfx s MET 477 N -3.26 4.30 -0.12 4.82 1.00 -0.63 -1.85 119.30 123.56 1xfx s MET 477 Ca 0.19 1.71 -0.10 0.00 0.00 0.00 0.00 55.69 57.49 1xfx s MET 477 Cb -0.03 -2.81 0.03 0.00 0.00 0.00 0.00 34.83 32.03 1xfx s MET 477 CO 0.06 -0.07 0.31 0.00 0.00 0.00 0.00 175.02 175.32 1xfx s ALA 478 N -1.41 -0.75 0.18 3.03 0.00 0.15 0.73 121.76 123.68 1xfx s ALA 478 Ca 0.53 0.90 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1xfx s ALA 478 Cb -0.28 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1xfx s ALA 478 CO 0.36 -0.15 0.34 -1.59 0.00 0.00 0.00 175.76 174.71 1xfx s LYS 479 N 0.29 3.48 0.41 0.00 -2.85 -0.93 -1.52 119.74 118.63 1xfx s LYS 479 Ca -0.01 -0.46 -0.25 0.00 -1.00 0.00 0.00 55.97 54.25 1xfx s LYS 479 Cb -0.03 -2.90 -0.08 0.00 -2.06 0.00 0.00 37.83 32.76 1xfx s LYS 479 CO -0.01 0.46 1.22 1.21 0.10 0.00 0.00 175.35 178.33 1xfx s ASN 480 N -3.20 6.36 -0.35 0.03 3.04 0.47 -2.45 114.94 118.84 1xfx s ASN 480 Ca 0.37 2.47 0.05 0.00 0.04 0.00 0.00 52.86 55.78 1xfx s ASN 480 Cb -0.11 -2.62 0.17 0.00 -1.54 0.00 0.00 41.25 37.15 1xfx s ASN 480 CO 0.29 -0.80 0.51 -0.69 -3.04 0.00 0.00 177.10 173.37 1xfx s VAL 481 N -1.37 -0.76 -0.84 -5.21 1.01 -1.07 -4.90 120.40 107.27 1xfx s VAL 481 Ca 0.58 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1xfx s VAL 481 Cb -0.33 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1xfx s VAL 481 CO 0.42 -0.20 0.72 -0.62 0.00 0.00 0.00 175.10 175.41 1xfx n GLU 482 N 4.83 -4.79 -3.53 2.72 -0.58 -1.26 -3.21 120.64 114.82 1xfx n GLU 482 Ca 0.07 0.55 -0.19 0.00 -0.42 0.00 0.00 57.16 57.16 1xfx n GLU 482 Cb 0.52 -4.70 0.06 0.00 -0.57 0.00 0.00 31.44 26.75 1xfx n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfx n GLY 483 N -1.30 -0.47 3.17 0.62 0.00 -1.26 -4.99 105.19 100.96 1xfx n GLY 483 Ca -0.08 0.19 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1xfx n GLY 483 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfx s VAL 484 N -3.49 -0.93 -0.93 1.61 1.01 -1.20 -5.09 120.40 111.38 1xfx s VAL 484 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1xfx s VAL 484 Cb -0.02 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 1xfx s VAL 484 CO 0.77 0.00 2.10 -0.76 0.00 0.00 0.00 175.10 177.22 1xfx s LEU 485 N 2.87 2.96 0.15 3.92 1.02 -1.26 -2.59 118.68 125.76 1xfx s LEU 485 Ca 0.18 -0.64 -0.25 0.00 0.02 0.00 0.00 54.13 53.43 1xfx s LEU 485 Cb -0.14 -2.57 -0.08 0.00 0.02 0.00 0.00 46.19 43.42 1xfx s LEU 485 CO -0.20 -3.37 0.78 -0.54 0.02 0.00 0.00 176.35 173.04 1xfx s LYS 486 N 7.66 4.57 0.78 1.70 1.02 -1.03 -4.86 119.74 129.58 1xfx s LYS 486 Ca 0.78 1.16 -0.13 0.00 0.02 0.00 0.00 55.97 57.79 1xfx s LYS 486 Cb -0.07 -3.27 0.07 0.00 -0.52 0.00 0.00 37.83 34.03 1xfx s LYS 486 CO 0.06 0.54 1.18 -1.25 -0.92 0.00 0.00 175.35 174.96 1xfx s PRO 487 N -1.02 1.88 0.05 -1.68 0.04 -1.26 -2.19 135.00 130.82 1xfx s PRO 487 Ca 0.36 1.65 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1xfx s PRO 487 Cb -0.23 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1xfx s PRO 487 CO 0.26 -2.01 -0.04 -0.51 0.04 0.00 0.00 177.00 174.75 1xfx s LEU 488 N -5.57 3.31 0.29 -3.56 1.43 0.22 -2.72 118.68 112.08 1xfx s LEU 488 Ca 0.71 -0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1xfx s LEU 488 Cb -0.26 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1xfx s LEU 488 CO 0.49 0.22 0.30 0.28 0.23 0.00 0.00 176.35 177.87 1xfx s THR 489 N -1.17 0.00 0.75 5.49 -1.32 -0.81 -3.23 115.64 115.36 1xfx s THR 489 Ca 0.22 -1.86 -0.16 0.00 -1.21 0.00 0.00 61.69 58.67 1xfx s THR 489 Cb -0.11 -2.51 -0.08 0.00 -1.51 0.00 0.00 72.50 68.29 1xfx s THR 489 CO 0.13 0.00 0.12 0.00 -2.21 0.00 0.00 174.62 172.67 1xfx n ALA 490 N -0.50 -2.71 -4.32 11.08 0.00 -1.26 -0.92 120.51 121.88 1xfx n ALA 490 Ca 0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.92 1xfx n ALA 490 Cb 0.63 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1xfx n ALA 490 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xfx n ASP 491 N 0.91 2.81 -4.35 0.00 3.85 -1.26 -4.43 116.55 114.08 1xfx n ASP 491 Ca 0.07 -2.56 -0.46 0.00 -0.71 0.00 0.00 54.79 51.13 1xfx n ASP 491 Cb 0.51 0.17 -0.02 0.00 -1.35 0.00 0.00 41.12 40.43 1xfx n ASP 491 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1xfx s TYR 492 N -2.24 3.62 -0.72 2.11 2.02 0.20 -4.87 117.35 117.47 1xfx s TYR 492 Ca 0.07 -1.83 -0.27 0.00 -0.37 0.00 0.00 57.07 54.67 1xfx s TYR 492 Cb -0.01 -3.89 0.03 0.00 -0.40 0.00 0.00 41.96 37.69 1xfx s TYR 492 CO 0.04 -1.07 1.30 -0.51 -1.57 0.00 0.00 175.55 173.74 1xfx s ASP 493 N 2.51 6.15 0.29 2.29 -0.00 -1.26 -4.53 116.67 122.12 1xfx s ASP 493 Ca 0.19 -0.35 -0.30 0.00 -0.00 0.00 0.00 52.55 52.08 1xfx s ASP 493 Cb -0.11 -2.56 -0.12 0.00 -0.00 0.00 0.00 42.92 40.13 1xfx s ASP 493 CO -0.08 -1.83 1.62 -0.76 -0.00 0.00 0.00 175.17 174.13 1xfx s LEU 494 N 5.81 4.34 -0.01 1.23 1.43 -1.26 -1.61 118.68 128.62 1xfx s LEU 494 Ca 0.37 2.97 -0.01 0.00 -1.03 0.00 0.00 54.13 56.43 1xfx s LEU 494 Cb -0.08 -3.63 -0.27 0.00 0.03 0.00 0.00 46.19 42.24 1xfx s LEU 494 CO 0.16 -0.94 0.82 0.15 0.23 0.00 0.00 176.35 176.77 1xfx h PHE 495 N 5.03 0.39 -1.73 0.29 3.04 0.35 -1.81 116.94 122.50 1xfx h PHE 495 Ca -0.47 -0.28 0.20 0.00 3.98 0.00 0.00 57.97 61.41 1xfx h PHE 495 Cb 1.22 -0.02 -0.18 0.00 2.56 0.00 0.00 35.95 39.53 1xfx h PHE 495 CO 0.59 1.35 0.71 0.00 -2.02 0.00 0.00 178.31 178.94 1xfx s ALA 496 N -2.61 -1.99 -0.11 2.41 0.00 -1.12 -3.41 121.76 114.93 1xfx s ALA 496 Ca -0.09 1.42 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 1xfx s ALA 496 Cb 0.07 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.25 1xfx s ALA 496 CO 0.84 -0.62 -0.04 -0.51 0.00 0.00 0.00 175.76 175.43 1xfx s LEU 497 N -2.25 1.06 -0.53 0.00 1.43 -1.26 -0.91 118.68 116.23 1xfx s LEU 497 Ca 0.08 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1xfx s LEU 497 Cb -0.01 -0.72 0.13 0.00 0.03 0.00 0.00 46.19 45.62 1xfx s LEU 497 CO -0.06 -0.16 0.29 0.00 0.23 0.00 0.00 176.35 176.65 1xfx s ALA 498 N 1.78 3.34 0.66 4.21 0.00 -0.09 -4.90 121.76 126.76 1xfx s ALA 498 Ca 0.04 -3.18 -0.12 0.00 0.00 0.00 0.00 51.96 48.70 1xfx s ALA 498 Cb -0.13 -2.29 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 1xfx s ALA 498 CO -0.07 -2.00 1.05 -1.25 0.00 0.00 0.00 175.76 173.49 1xfx s PRO 499 N -0.07 3.15 0.42 0.00 0.04 -1.25 -1.11 135.00 136.18 1xfx s PRO 499 Ca 0.16 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 61.97 1xfx s PRO 499 Cb -0.24 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 1xfx s PRO 499 CO -0.02 -0.93 0.96 -1.54 0.04 0.00 0.00 177.00 175.51 1xfx s SER 500 N -3.59 6.91 0.37 6.66 1.04 -0.95 -1.35 113.70 122.78 1xfx s SER 500 Ca 0.59 1.74 0.09 0.00 0.48 0.00 0.00 55.95 58.85 1xfx s SER 500 Cb -0.14 -2.55 0.84 0.00 0.10 0.00 0.00 66.02 64.27 1xfx s SER 500 CO 0.50 -0.38 1.89 -0.07 0.98 0.00 0.00 173.24 176.16 1xfx h LEU 501 N 2.02 0.62 -1.65 2.42 3.38 -1.65 0.30 115.31 120.75 1xfx h LEU 501 Ca -0.49 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1xfx h LEU 501 Cb 1.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1xfx h LEU 501 CO 0.61 0.33 -0.09 0.71 0.09 0.00 0.00 178.44 180.09 1xfx h THR 502 N 0.66 1.11 0.23 0.22 1.35 -1.91 -1.70 112.91 112.88 1xfx h THR 502 Ca 0.42 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.78 1xfx h THR 502 Cb 0.68 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1xfx h THR 502 CO -0.18 0.15 -0.11 -0.08 -0.25 0.00 0.00 175.52 175.05 1xfx h GLU 503 N 0.11 -0.30 -0.88 4.72 4.57 -0.74 -2.74 114.58 119.32 1xfx h GLU 503 Ca 0.02 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.40 1xfx h GLU 503 Cb 0.23 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.82 1xfx h GLU 503 CO 0.01 0.04 0.57 0.82 -1.18 0.00 0.00 179.01 179.28 1xfx h ILE 504 N -0.70 0.74 -0.86 2.32 5.03 -1.08 0.33 117.51 123.30 1xfx h ILE 504 Ca -0.03 -0.17 0.14 0.00 -0.12 0.00 0.00 64.86 64.68 1xfx h ILE 504 Cb 0.48 0.20 -0.07 0.00 -3.03 0.00 0.00 36.82 34.40 1xfx h ILE 504 CO 0.05 0.09 0.56 0.50 -0.68 0.00 0.00 178.15 178.67 1xfx h LYS 505 N 0.50 0.61 -0.79 2.37 1.63 -1.01 0.67 116.57 120.55 1xfx h LYS 505 Ca 0.45 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1xfx h LYS 505 Cb 0.98 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1xfx h LYS 505 CO -0.19 0.41 0.00 1.63 -3.45 0.00 0.00 179.45 177.85 1xfx n LYS 506 N -4.54 1.89 -0.00 1.90 5.02 0.12 -2.81 118.16 119.73 1xfx n LYS 506 Ca 0.17 -0.76 0.05 0.00 -2.02 0.00 0.00 58.31 55.74 1xfx n LYS 506 Cb 0.48 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1xfx n LYS 506 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xfx n GLN 507 N 0.14 2.15 -3.45 1.97 -0.06 0.23 -4.96 117.38 113.40 1xfx n GLN 507 Ca 0.07 -0.04 -0.37 0.00 -2.00 0.00 0.00 57.00 54.65 1xfx n GLN 507 Cb 0.44 -1.08 -0.07 0.00 -4.06 0.00 0.00 30.24 25.47 1xfx n GLN 507 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1xfx s ILE 508 N -2.26 5.26 -0.63 1.69 1.01 -1.12 -4.98 121.20 120.17 1xfx s ILE 508 Ca 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 60.65 61.07 1xfx s ILE 508 Cb 0.06 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1xfx s ILE 508 CO 0.38 0.35 1.99 -2.16 0.00 0.00 0.00 174.94 175.50 1xfx s PRO 509 N 0.64 2.49 0.00 2.79 0.04 -1.26 -4.88 135.00 134.82 1xfx s PRO 509 Ca 0.19 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1xfx s PRO 509 Cb -0.14 -4.51 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1xfx s PRO 509 CO 0.06 -2.96 0.00 1.04 0.04 0.00 0.00 177.00 175.18 1xfx n GLN 510 N 9.11 0.00 -0.09 4.56 1.13 -1.26 0.14 117.38 130.97 1xfx n GLN 510 Ca 0.26 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.26 1xfx n GLN 510 Cb 0.52 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.88 1xfx n GLN 510 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1xfx h LYS 511 N 0.00 0.21 0.22 -1.09 2.10 -1.98 0.19 116.57 116.22 1xfx h LYS 511 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1xfx h LYS 511 Cb 0.00 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.27 1xfx h LYS 511 CO 0.00 0.14 -0.20 0.93 -2.00 0.00 0.00 179.45 178.32 1xfx h GLU 512 N 0.22 -0.40 -0.95 0.07 5.08 0.86 0.59 114.58 120.05 1xfx h GLU 512 Ca 0.15 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.81 1xfx h GLU 512 Cb 0.15 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1xfx h GLU 512 CO -0.18 -0.27 0.81 2.35 -1.00 0.00 0.00 179.01 180.72 1xfx h TRP 513 N -0.42 0.00 0.12 4.33 7.01 -1.56 0.13 115.95 125.57 1xfx h TRP 513 Ca -0.03 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1xfx h TRP 513 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1xfx h TRP 513 CO -0.11 0.00 -0.06 -0.44 -2.79 0.00 0.00 178.44 175.04 1xfx h ASP 514 N 0.00 -0.14 0.00 2.65 3.45 0.84 -2.22 116.42 121.00 1xfx h ASP 514 Ca 0.45 -0.33 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1xfx h ASP 514 Cb 2.07 0.04 0.00 0.00 -0.56 0.00 0.00 39.33 40.87 1xfx h ASP 514 CO -0.00 0.47 0.37 0.50 -1.57 0.00 0.00 179.24 179.00 1xfx h LYS 515 N -0.96 0.00 0.00 3.56 3.64 0.28 -1.41 116.57 121.68 1xfx h LYS 515 Ca -0.02 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1xfx h LYS 515 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1xfx h LYS 515 CO 0.03 0.00 -0.53 0.28 -2.27 0.00 0.00 179.45 176.96 1xfx h VAL 516 N 0.00 0.96 0.00 2.00 2.07 -1.13 -3.39 116.25 116.77 1xfx h VAL 516 Ca 0.00 -1.90 -0.08 0.00 0.82 0.00 0.00 66.70 65.54 1xfx h VAL 516 Cb 0.73 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1xfx h VAL 516 CO 0.00 0.33 -0.37 -0.37 0.02 0.00 0.00 177.57 177.18 1xfx h VAL 517 N -1.00 1.24 -0.08 2.57 -1.51 -0.70 -3.30 116.25 113.48 1xfx h VAL 517 Ca -0.13 -1.27 -0.68 0.00 -1.23 0.00 0.00 66.70 63.40 1xfx h VAL 517 Cb 0.90 1.69 0.01 0.00 -2.13 0.00 0.00 31.29 31.76 1xfx h VAL 517 CO -0.08 0.36 3.68 0.59 -1.23 0.00 0.00 177.57 180.89 1xfx n ASN 518 N -4.07 8.06 -4.25 4.19 5.03 -0.61 -4.81 115.26 118.79 1xfx n ASN 518 Ca -0.02 -2.64 -0.19 0.00 0.87 0.00 0.00 54.58 52.60 1xfx n ASN 518 Cb 0.40 -1.56 -0.11 0.00 -1.02 0.00 0.00 39.78 37.49 1xfx n ASN 518 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1xfx s THR 519 N 2.11 1.42 -1.80 3.41 -1.32 -1.24 -4.97 115.64 113.24 1xfx s THR 519 Ca 0.66 -1.67 0.24 0.00 -1.21 0.00 0.00 61.69 59.72 1xfx s THR 519 Cb 0.17 -1.52 0.11 0.00 -1.51 0.00 0.00 72.50 69.76 1xfx s THR 519 CO -0.07 -0.33 1.32 -0.81 -2.21 0.00 0.00 174.62 172.53 1xfx n PRO 520 N 0.68 0.92 -3.12 7.08 -0.04 -1.26 -4.83 135.00 134.43 1xfx n PRO 520 Ca -0.16 -0.67 -0.45 0.00 -0.04 0.00 0.00 63.50 62.18 1xfx n PRO 520 Cb 0.56 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1xfx n PRO 520 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1xfx s ASN 521 N -2.54 6.20 0.11 3.54 3.84 -1.26 -4.95 114.94 119.88 1xfx s ASN 521 Ca 0.20 -1.48 -0.21 0.00 0.21 0.00 0.00 52.86 51.58 1xfx s ASN 521 Cb 0.18 -2.30 -0.05 0.00 -0.55 0.00 0.00 41.25 38.54 1xfx s ASN 521 CO 0.57 -1.10 1.27 -1.20 -2.79 0.00 0.00 177.10 173.85 1xfx n SER 522 N 6.26 -0.70 0.20 -4.21 7.64 -1.26 -0.19 113.62 121.35 1xfx n SER 522 Ca -0.09 1.43 0.04 0.00 1.01 0.00 0.00 58.87 61.27 1xfx n SER 522 Cb 0.42 -0.28 0.40 0.00 -1.01 0.00 0.00 64.21 63.75 1xfx n SER 522 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xfx h LEU 523 N 0.00 0.00 -0.45 -3.43 5.85 -2.01 -2.92 115.31 112.36 1xfx h LEU 523 Ca 0.11 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 1xfx h LEU 523 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1xfx h LEU 523 CO -0.62 0.34 -0.74 -0.08 -0.34 0.00 0.00 178.44 176.99 1xfx h GLU 524 N 0.00 0.26 0.47 1.25 4.81 -1.05 -2.82 114.58 117.50 1xfx h GLU 524 Ca -0.00 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 1xfx h GLU 524 Cb 0.66 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1xfx h GLU 524 CO 0.04 0.89 -0.51 -0.22 -0.73 0.00 0.00 179.01 178.48 1xfx h LYS 525 N 0.17 -0.96 -0.97 1.92 3.64 -0.37 0.23 116.57 120.24 1xfx h LYS 525 Ca -0.03 0.07 0.17 0.00 -1.27 0.00 0.00 60.65 59.58 1xfx h LYS 525 Cb 1.31 0.22 -0.17 0.00 -0.41 0.00 0.00 32.23 33.18 1xfx h LYS 525 CO 0.12 -0.64 -0.33 0.37 -2.27 0.00 0.00 179.45 176.70 1xfx h GLN 526 N -0.99 -0.01 0.62 1.90 4.15 -1.53 0.10 115.11 119.35 1xfx h GLN 526 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1xfx h GLN 526 Cb 0.87 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1xfx h GLN 526 CO -0.09 -0.01 -0.43 -0.22 -1.93 0.00 0.00 178.83 176.16 1xfx h LYS 527 N -0.01 -0.97 -1.10 1.69 3.64 -1.08 -0.97 116.57 117.77 1xfx h LYS 527 Ca 0.38 0.07 0.32 0.00 -1.27 0.00 0.00 60.65 60.15 1xfx h LYS 527 Cb 0.64 0.22 -0.12 0.00 -0.41 0.00 0.00 32.23 32.56 1xfx h LYS 527 CO -0.98 -0.65 0.69 0.78 -2.27 0.00 0.00 179.45 177.02 1xfx h GLY 528 N -1.01 1.48 0.63 5.01 0.00 0.18 -0.83 103.07 108.53 1xfx h GLY 528 Ca -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1xfx h GLY 528 CO 0.05 -0.29 -0.30 -2.08 0.00 0.00 0.00 176.54 173.91 1xfx h VAL 529 N 0.32 0.00 -0.86 4.60 2.07 -0.53 -2.04 116.25 119.80 1xfx h VAL 529 Ca 0.69 -0.36 0.22 0.00 0.82 0.00 0.00 66.70 68.07 1xfx h VAL 529 Cb 1.79 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.42 1xfx h VAL 529 CO -0.41 0.00 0.11 0.74 0.02 0.00 0.00 177.57 178.03 1xfx h THR 530 N -1.21 0.25 -0.39 2.57 2.02 0.11 0.88 112.91 117.15 1xfx h THR 530 Ca -0.09 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1xfx h THR 530 Cb 0.65 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1xfx h THR 530 CO 0.14 0.02 0.13 0.78 0.37 0.00 0.00 175.52 176.96 1xfx h ASN 531 N 0.12 0.56 -0.17 4.18 2.35 -1.23 0.68 115.58 122.07 1xfx h ASN 531 Ca 0.52 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 56.12 1xfx h ASN 531 Cb 1.01 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 39.18 1xfx h ASN 531 CO -0.72 0.61 -0.19 -0.07 -1.65 0.00 0.00 177.43 175.40 1xfx h LEU 532 N 0.48 -0.60 -1.25 1.61 3.38 0.10 1.20 115.31 120.23 1xfx h LEU 532 Ca 0.13 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1xfx h LEU 532 Cb 0.24 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1xfx h LEU 532 CO -0.01 -0.24 0.53 0.25 0.09 0.00 0.00 178.44 179.07 1xfx h LEU 533 N -0.22 0.82 0.26 1.67 6.46 0.90 0.19 115.31 125.38 1xfx h LEU 533 Ca 0.11 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1xfx h LEU 533 Cb 0.39 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1xfx h LEU 533 CO -0.30 0.54 -0.12 0.40 -0.62 0.00 0.00 178.44 178.34 1xfx h ILE 534 N 0.94 0.78 0.64 4.05 2.04 0.27 -0.93 117.51 125.30 1xfx h ILE 534 Ca 0.34 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1xfx h ILE 534 Cb 0.14 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1xfx h ILE 534 CO -0.11 0.13 -0.42 0.50 0.00 0.00 0.00 178.15 178.25 1xfx h LYS 535 N -0.70 -0.96 0.00 2.37 3.64 0.18 0.16 116.57 121.26 1xfx h LYS 535 Ca -0.04 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1xfx h LYS 535 Cb 0.48 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1xfx h LYS 535 CO 0.06 -0.64 0.00 0.66 -2.27 0.00 0.00 179.45 177.26 1xfx n TYR 536 N -5.05 0.00 0.00 1.91 4.01 0.62 -4.30 117.16 114.36 1xfx n TYR 536 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1xfx n TYR 536 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 1xfx n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xfx n GLY 537 N 0.58 -0.05 0.09 2.72 0.00 -0.39 -4.87 105.19 103.27 1xfx n GLY 537 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1xfx n GLY 537 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xfx n ILE 538 N -1.96 1.36 -1.87 -0.61 5.41 -0.32 -4.95 119.36 116.42 1xfx n ILE 538 Ca 0.00 -0.77 -0.41 0.00 1.00 0.00 0.00 62.75 62.57 1xfx n ILE 538 Cb 0.00 -0.77 -0.00 0.00 -0.71 0.00 0.00 39.64 38.16 1xfx n ILE 538 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xfx s GLU 539 N -2.70 4.07 -0.08 0.38 2.12 0.42 -5.00 118.70 117.91 1xfx s GLU 539 Ca -0.06 2.47 0.00 0.00 0.36 0.00 0.00 54.97 57.74 1xfx s GLU 539 Cb 0.08 -2.92 0.02 0.00 0.26 0.00 0.00 34.13 31.57 1xfx s GLU 539 CO 0.83 -0.52 -0.05 1.03 -0.54 0.00 0.00 175.26 176.00 1xfx s ARG 540 N -2.11 1.11 0.33 4.30 0.52 -1.26 -4.47 118.95 117.38 1xfx s ARG 540 Ca 0.54 -0.13 0.07 0.00 -0.52 0.00 0.00 55.73 55.68 1xfx s ARG 540 Cb -0.44 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.80 1xfx s ARG 540 CO 0.60 -0.19 0.31 0.15 0.02 0.00 0.00 175.30 176.18 1xfx s LYS 541 N 1.44 2.79 0.71 3.54 -0.14 -0.69 -4.85 119.74 122.55 1xfx s LYS 541 Ca -0.02 -1.25 -0.07 0.00 -1.36 0.00 0.00 55.97 53.27 1xfx s LYS 541 Cb -0.13 -2.52 0.06 0.00 -1.68 0.00 0.00 37.83 33.55 1xfx s LYS 541 CO -0.04 0.11 1.04 -1.25 -0.76 0.00 0.00 175.35 174.45 1xfx s PRO 542 N -4.01 2.21 -0.22 -1.68 0.04 -1.26 -1.73 135.00 128.35 1xfx s PRO 542 Ca 0.41 -0.17 -0.20 0.00 0.04 0.00 0.00 61.00 61.08 1xfx s PRO 542 Cb -0.06 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1xfx s PRO 542 CO 0.27 -1.26 0.60 0.34 0.04 0.00 0.00 177.00 176.98 1xfx s ASP 543 N -4.51 -0.63 0.16 6.66 -1.08 0.01 -4.86 116.67 112.41 1xfx s ASP 543 Ca 0.60 1.21 -0.16 0.00 -0.52 0.00 0.00 52.55 53.68 1xfx s ASP 543 Cb -0.11 1.21 0.05 0.00 -1.46 0.00 0.00 42.92 42.61 1xfx s ASP 543 CO 0.46 -0.21 1.79 0.77 0.52 0.00 0.00 175.17 178.50 1xfx h SER 544 N 5.31 0.34 0.00 -0.34 4.64 -1.99 -3.17 113.55 118.33 1xfx h SER 544 Ca -0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1xfx h SER 544 Cb 1.17 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1xfx h SER 544 CO 0.13 0.24 0.00 0.35 -0.87 0.00 0.00 176.83 176.69 1xfx n THR 545 N -4.89 0.00 1.10 2.95 -2.24 -1.26 -4.62 114.28 105.32 1xfx n THR 545 Ca 0.01 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1xfx n THR 545 Cb 0.08 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1xfx n THR 545 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xfx n LYS 546 N -1.59 0.95 0.00 -0.78 5.02 -1.26 -4.82 118.16 115.68 1xfx n LYS 546 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xfx n LYS 546 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1xfx n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfx n GLY 547 N 0.09 0.34 3.54 0.72 0.00 -1.20 -2.01 105.19 106.68 1xfx n GLY 547 Ca 0.00 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1xfx n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfx s THR 548 N 0.00 4.53 0.29 2.61 2.01 -1.26 -0.81 115.64 123.00 1xfx s THR 548 Ca 0.00 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.70 1xfx s THR 548 Cb 0.00 -3.07 0.06 0.00 0.01 0.00 0.00 72.50 69.50 1xfx s THR 548 CO 0.00 0.40 0.89 -1.48 -0.69 0.00 0.00 174.62 173.74 1xfx s LEU 549 N 0.97 -0.03 0.00 4.42 2.34 -0.71 -4.10 118.68 121.57 1xfx s LEU 549 Ca 0.04 -0.88 -0.03 0.00 0.06 0.00 0.00 54.13 53.32 1xfx s LEU 549 Cb -0.14 2.51 0.10 0.00 -0.56 0.00 0.00 46.19 48.10 1xfx s LEU 549 CO 0.03 -1.35 0.64 -0.24 -1.06 0.00 0.00 176.35 174.36 1xfx n SER 550 N -1.20 0.55 -0.07 1.48 2.88 -1.26 -1.70 113.62 114.30 1xfx n SER 550 Ca -0.06 -1.54 -0.19 0.00 -1.33 0.00 0.00 58.87 55.76 1xfx n SER 550 Cb 0.60 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 63.49 1xfx n SER 550 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1xfx h ASN 551 N -0.55 0.07 -0.42 -3.46 -0.26 -1.95 -2.99 115.58 106.02 1xfx h ASN 551 Ca -0.21 -0.77 -0.02 0.00 -0.56 0.00 0.00 56.30 54.74 1xfx h ASN 551 Cb 0.70 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.92 1xfx h ASN 551 CO 0.20 1.31 0.18 4.11 -1.06 0.00 0.00 177.43 182.17 1xfx h TRP 552 N -0.88 0.63 -1.12 1.19 5.08 -1.95 0.16 115.95 119.06 1xfx h TRP 552 Ca -0.19 -0.04 0.38 0.00 1.08 0.00 0.00 58.89 60.12 1xfx h TRP 552 Cb 1.26 -0.19 -0.15 0.00 -3.00 0.00 0.00 29.16 27.08 1xfx h TRP 552 CO 0.18 0.54 0.67 1.96 -1.28 0.00 0.00 178.44 180.51 1xfx h GLN 553 N 0.54 0.16 0.02 0.12 4.20 -1.95 0.95 115.11 119.16 1xfx h GLN 553 Ca 0.14 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1xfx h GLN 553 Cb 0.16 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1xfx h GLN 553 CO -0.01 0.11 -0.15 -0.22 -0.67 0.00 0.00 178.83 177.88 1xfx h LYS 554 N 0.16 0.07 -0.27 1.46 3.64 -0.65 0.39 116.57 121.38 1xfx h LYS 554 Ca 0.79 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 60.14 1xfx h LYS 554 Cb 2.13 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.97 1xfx h LYS 554 CO -0.56 1.00 0.19 -0.56 -2.27 0.00 0.00 179.45 177.25 1xfx h GLN 555 N -0.82 0.04 -0.15 1.90 3.07 0.17 0.28 115.11 119.60 1xfx h GLN 555 Ca -0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.64 1xfx h GLN 555 Cb 1.07 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.62 1xfx h GLN 555 CO 0.03 0.03 -0.17 1.98 0.09 0.00 0.00 178.83 180.79 1xfx h MET 556 N 0.05 0.38 -0.20 0.06 4.05 0.85 -2.67 114.93 117.45 1xfx h MET 556 Ca 0.13 -0.21 0.06 0.00 -0.28 0.00 0.00 59.70 59.39 1xfx h MET 556 Cb 0.45 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 1xfx h MET 556 CO -0.01 0.78 0.23 1.25 0.23 0.00 0.00 176.91 179.39 1xfx h LEU 557 N -0.00 0.00 0.01 3.39 5.85 0.17 -2.59 115.31 122.14 1xfx h LEU 557 Ca 0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1xfx h LEU 557 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1xfx h LEU 557 CO 0.04 0.00 -0.01 0.44 -0.34 0.00 0.00 178.44 178.58 1xfx h ASP 558 N 0.00 -0.01 -1.30 1.25 5.19 -0.78 -3.26 116.42 117.51 1xfx h ASP 558 Ca 0.09 0.00 0.38 0.00 -0.62 0.00 0.00 57.03 56.88 1xfx h ASP 558 Cb 0.56 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 1xfx h ASP 558 CO -0.00 0.12 0.95 0.54 -3.12 0.00 0.00 179.24 177.72 1xfx n ARG 559 N -2.75 0.00 0.18 3.56 5.12 -1.03 0.11 116.66 121.85 1xfx n ARG 559 Ca -0.00 0.72 -0.12 0.00 -1.93 0.00 0.00 57.85 56.52 1xfx n ARG 559 Cb 0.01 -1.67 -0.07 0.00 -1.16 0.00 0.00 32.46 29.58 1xfx n ARG 559 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1xfx h LEU 560 N 0.00 -0.44 -0.40 0.55 3.38 -1.55 -1.51 115.31 115.35 1xfx h LEU 560 Ca 0.62 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.48 1xfx h LEU 560 Cb 2.50 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 43.34 1xfx h LEU 560 CO -0.01 -0.01 0.24 0.78 0.09 0.00 0.00 178.44 179.54 1xfx h ASN 561 N -0.99 0.39 0.10 -0.43 2.35 0.70 0.48 115.58 118.18 1xfx h ASN 561 Ca -0.05 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1xfx h ASN 561 Cb 0.53 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1xfx h ASN 561 CO 0.09 0.28 -0.08 1.05 -1.65 0.00 0.00 177.43 177.12 1xfx h GLU 562 N 0.49 0.00 -0.13 0.81 4.11 -1.49 -0.94 114.58 117.42 1xfx h GLU 562 Ca 0.15 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.39 1xfx h GLU 562 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xfx h GLU 562 CO -0.06 0.08 -0.70 0.00 0.07 0.00 0.00 179.01 178.40 1xfx h ALA 563 N 1.92 0.52 -0.40 1.06 0.00 -0.04 -2.65 119.26 119.66 1xfx h ALA 563 Ca -0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 1xfx h ALA 563 Cb 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xfx h ALA 563 CO 0.01 0.72 0.06 1.33 0.00 0.00 0.00 179.25 181.37 1xfx n VAL 564 N -3.90 1.86 -0.05 0.00 0.24 0.01 -3.86 118.33 112.63 1xfx n VAL 564 Ca -0.05 -0.94 -0.08 0.00 -2.04 0.00 0.00 64.34 61.23 1xfx n VAL 564 Cb 0.70 -0.40 -0.04 0.00 -1.47 0.00 0.00 33.84 32.62 1xfx n VAL 564 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1xfx n LYS 565 N 0.26 0.22 0.00 7.34 4.81 -0.48 -3.36 118.16 126.96 1xfx n LYS 565 Ca 0.21 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1xfx n LYS 565 Cb 0.91 -1.05 0.00 0.00 0.02 0.00 0.00 35.03 34.92 1xfx n LYS 565 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1xfx n TYR 566 N -3.06 0.00 -0.13 5.64 0.53 -1.02 -1.64 117.16 117.48 1xfx n TYR 566 Ca -0.18 0.00 -0.25 0.00 -1.02 0.00 0.00 57.90 56.45 1xfx n TYR 566 Cb 0.66 -0.01 -0.10 0.00 -1.03 0.00 0.00 39.34 38.86 1xfx n TYR 566 CO 0.00 0.00 0.00 -2.37 -1.02 0.00 0.00 176.86 173.47 1xfx n THR 567 N -0.37 1.43 0.00 -0.72 5.66 -1.25 -5.04 114.28 113.99 1xfx n THR 567 Ca 0.00 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 1xfx n THR 567 Cb 0.03 -1.72 0.00 0.00 -1.55 0.00 0.00 70.33 67.09 1xfx n THR 567 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xfx n GLY 568 N 1.62 0.19 3.65 1.09 0.00 -0.65 -5.13 105.19 105.96 1xfx n GLY 568 Ca -0.49 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 1xfx n GLY 568 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xfx n TYR 569 N 0.00 2.03 -1.28 1.61 9.36 -1.21 -4.91 117.16 122.76 1xfx n TYR 569 Ca 0.00 0.45 0.07 0.00 3.32 0.00 0.00 57.90 61.73 1xfx n TYR 569 Cb 0.00 -2.44 0.09 0.00 -0.63 0.00 0.00 39.34 36.36 1xfx n TYR 569 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1xfx n THR 570 N 2.15 1.30 1.05 2.97 -2.24 -1.26 -4.68 114.28 113.57 1xfx n THR 570 Ca 0.13 -1.55 0.12 0.00 -2.27 0.00 0.00 64.05 60.48 1xfx n THR 570 Cb 0.29 0.02 0.09 0.00 -2.10 0.00 0.00 70.33 68.63 1xfx n THR 570 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xfx n GLY 571 N -0.98 0.29 0.00 3.38 0.00 -1.25 -4.96 105.19 101.67 1xfx n GLY 571 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1xfx n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfx n GLY 572 N 1.38 1.10 3.55 -0.02 0.00 -1.26 -4.23 105.19 105.70 1xfx n GLY 572 Ca 0.12 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1xfx n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xfx s ASP 573 N -4.00 4.21 -0.01 1.61 1.11 -1.26 -4.97 116.67 113.36 1xfx s ASP 573 Ca 0.00 -0.50 0.06 0.00 0.18 0.00 0.00 52.55 52.30 1xfx s ASP 573 Cb 0.00 -0.72 -0.09 0.00 1.07 0.00 0.00 42.92 43.18 1xfx s ASP 573 CO 0.00 0.15 0.16 0.55 1.18 0.00 0.00 175.17 177.21 1xfx n VAL 574 N 0.51 0.00 -4.05 -1.27 3.14 -1.26 -3.96 118.33 111.45 1xfx n VAL 574 Ca -0.13 -0.18 -0.32 0.00 -2.96 0.00 0.00 64.34 60.75 1xfx n VAL 574 Cb 0.53 0.47 -0.15 0.00 -1.06 0.00 0.00 33.84 33.63 1xfx n VAL 574 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1xfx s VAL 575 N -2.29 2.01 -0.10 1.55 1.01 -1.26 0.60 120.40 121.92 1xfx s VAL 575 Ca -0.02 -1.45 0.19 0.00 0.00 0.00 0.00 61.98 60.71 1xfx s VAL 575 Cb 0.04 -2.11 -0.29 0.00 0.00 0.00 0.00 36.38 34.02 1xfx s VAL 575 CO 0.26 0.03 0.29 0.59 0.00 0.00 0.00 175.10 176.27 1xfx n ASN 576 N 4.51 0.18 -1.99 3.32 5.03 -1.26 -4.94 115.26 120.11 1xfx n ASN 576 Ca -0.14 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.22 1xfx n ASN 576 Cb 0.43 1.52 -0.03 0.00 -1.02 0.00 0.00 39.78 40.69 1xfx n ASN 576 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xfx n HIS 577 N -2.45 -0.25 -1.39 3.10 1.44 -1.26 -4.38 115.22 110.03 1xfx n HIS 577 Ca -0.16 -1.10 -0.29 0.00 -2.01 0.00 0.00 57.72 54.15 1xfx n HIS 577 Cb 0.81 0.09 0.18 0.00 0.12 0.00 0.00 29.99 31.20 1xfx n HIS 577 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1xfx s GLY 578 N -1.94 1.60 0.33 -1.39 0.00 -0.85 -4.80 107.32 100.27 1xfx s GLY 578 Ca 0.15 -0.70 -0.29 0.00 0.00 0.00 0.00 44.72 43.88 1xfx s GLY 578 CO 0.10 -0.01 1.29 -0.51 0.00 0.00 0.00 173.10 173.97 1xfx s THR 579 N -3.22 2.78 -0.05 0.90 -4.23 -1.26 -4.71 115.64 105.85 1xfx s THR 579 Ca 0.67 0.78 0.06 0.00 -1.18 0.00 0.00 61.69 62.03 1xfx s THR 579 Cb -0.13 -3.50 0.06 0.00 1.34 0.00 0.00 72.50 70.28 1xfx s THR 579 CO 0.55 0.18 0.99 1.21 -0.54 0.00 0.00 174.62 177.01 1xfx n GLU 580 N 0.80 0.05 0.00 3.99 4.07 -0.68 -0.09 120.64 128.77 1xfx n GLU 580 Ca 0.00 0.43 0.05 0.00 -0.06 0.00 0.00 57.16 57.58 1xfx n GLU 580 Cb 0.42 -2.04 0.26 0.00 -0.06 0.00 0.00 31.44 30.02 1xfx n GLU 580 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1xfx n GLN 581 N -1.71 0.11 -0.02 5.31 3.00 -1.23 -1.08 117.38 121.75 1xfx n GLN 581 Ca -0.00 0.22 0.01 0.00 -0.01 0.00 0.00 57.00 57.22 1xfx n GLN 581 Cb 0.41 -1.50 0.02 0.00 0.00 0.00 0.00 30.24 29.17 1xfx n GLN 581 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1xfx n ASP 582 N -1.35 1.99 -1.94 1.08 8.00 0.87 -3.28 116.55 121.92 1xfx n ASP 582 Ca 0.04 -1.86 -0.10 0.00 0.71 0.00 0.00 54.79 53.59 1xfx n ASP 582 Cb 0.10 -0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 41.03 1xfx n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xfx n ASN 583 N -0.27 5.03 0.10 -2.24 2.85 -0.24 -4.40 115.26 116.09 1xfx n ASN 583 Ca 0.02 -2.42 0.09 0.00 -0.11 0.00 0.00 54.58 52.16 1xfx n ASN 583 Cb 0.24 -1.31 0.57 0.00 1.24 0.00 0.00 39.78 40.52 1xfx n ASN 583 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xfx h GLU 584 N 2.81 0.20 0.00 1.20 5.08 -1.84 -2.13 114.58 119.89 1xfx h GLU 584 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xfx h GLU 584 Cb 1.37 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1xfx h GLU 584 CO 0.20 0.13 0.00 0.39 -1.00 0.00 0.00 179.01 178.73 1xfx n GLU 585 N -4.49 0.00 -3.29 2.33 -0.58 -1.26 -4.46 120.64 108.89 1xfx n GLU 585 Ca 0.02 0.21 -0.28 0.00 -0.42 0.00 0.00 57.16 56.70 1xfx n GLU 585 Cb 0.20 -1.18 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 1xfx n GLU 585 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1xfx n PHE 586 N -1.14 3.70 -1.71 -0.32 3.01 -1.20 -3.28 117.46 116.52 1xfx n PHE 586 Ca 0.00 -4.06 -0.41 0.00 1.01 0.00 0.00 57.45 53.99 1xfx n PHE 586 Cb 0.00 -0.57 0.01 0.00 -0.01 0.00 0.00 39.48 38.90 1xfx n PHE 586 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1xfx n PRO 587 N 0.60 2.03 -4.36 -1.08 -0.04 -0.80 -4.98 135.00 126.37 1xfx n PRO 587 Ca 0.30 0.72 -0.28 0.00 -0.04 0.00 0.00 63.50 64.20 1xfx n PRO 587 Cb 0.40 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.36 1xfx n PRO 587 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xfx s GLU 588 N -2.13 1.68 -0.30 0.54 0.41 -1.26 -4.99 118.70 112.65 1xfx s GLU 588 Ca 0.59 -1.37 0.03 0.00 -0.41 0.00 0.00 54.97 53.81 1xfx s GLU 588 Cb -0.52 -1.98 0.08 0.00 -1.78 0.00 0.00 34.13 29.93 1xfx s GLU 588 CO 0.59 0.43 -0.02 0.21 -0.49 0.00 0.00 175.26 175.98 1xfx s LYS 589 N -2.51 1.87 -0.18 1.61 2.20 -1.26 -5.10 119.74 116.38 1xfx s LYS 589 Ca 0.20 -1.62 -0.08 0.00 -0.36 0.00 0.00 55.97 54.11 1xfx s LYS 589 Cb -0.09 -3.07 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1xfx s LYS 589 CO 0.11 -0.76 0.11 -0.51 -0.36 0.00 0.00 175.35 173.93 1xfx s ASP 590 N 1.03 6.04 0.03 1.43 1.01 -1.26 -5.01 116.67 119.94 1xfx s ASP 590 Ca 0.01 0.22 -0.26 0.00 0.71 0.00 0.00 52.55 53.24 1xfx s ASP 590 Cb -0.20 -2.03 -0.14 0.00 1.01 0.00 0.00 42.92 41.56 1xfx s ASP 590 CO -0.06 0.22 1.23 0.78 0.21 0.00 0.00 175.17 177.55 1xfx h ASN 591 N 6.34 -0.79 -3.31 0.27 2.35 -1.91 -3.42 115.58 115.11 1xfx h ASN 591 Ca -0.42 0.03 -0.58 0.00 -0.55 0.00 0.00 56.30 54.77 1xfx h ASN 591 Cb 1.17 0.20 -0.07 0.00 0.05 0.00 0.00 38.32 39.68 1xfx h ASN 591 CO 0.71 -0.50 0.37 -1.61 -1.65 0.00 0.00 177.43 174.75 1xfx s GLU 592 N -4.79 4.30 -0.10 0.81 2.02 -1.26 -3.30 118.70 116.38 1xfx s GLU 592 Ca -0.14 1.01 0.04 0.00 0.02 0.00 0.00 54.97 55.90 1xfx s GLU 592 Cb 0.01 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.68 1xfx s GLU 592 CO 0.41 -0.31 -0.23 0.42 0.02 0.00 0.00 175.26 175.57 1xfx s ILE 593 N 2.07 2.04 -0.05 -1.63 -1.09 -1.23 -4.28 121.20 117.03 1xfx s ILE 593 Ca 0.38 -1.00 -0.20 0.00 -2.23 0.00 0.00 60.65 57.60 1xfx s ILE 593 Cb -0.17 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.90 1xfx s ILE 593 CO 0.13 0.55 0.57 0.12 -1.23 0.00 0.00 174.94 175.08 1xfx s PHE 594 N 0.40 3.62 0.04 3.97 5.36 -0.80 -1.39 117.98 129.18 1xfx s PHE 594 Ca -0.17 1.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.94 1xfx s PHE 594 Cb -0.18 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.88 1xfx s PHE 594 CO 0.08 0.27 -0.10 0.42 -1.46 0.00 0.00 175.22 174.43 1xfx s ILE 595 N 0.15 0.78 -0.38 3.12 1.01 0.19 0.40 121.20 126.47 1xfx s ILE 595 Ca 0.30 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1xfx s ILE 595 Cb -0.17 -0.76 0.11 0.00 0.01 0.00 0.00 42.46 41.66 1xfx s ILE 595 CO 0.15 -0.15 0.15 -0.63 0.00 0.00 0.00 174.94 174.46 1xfx s ILE 596 N -0.98 1.56 1.06 2.92 1.01 -0.21 -1.03 121.20 125.52 1xfx s ILE 596 Ca -0.03 -2.20 -0.12 0.00 0.00 0.00 0.00 60.65 58.30 1xfx s ILE 596 Cb -0.08 -2.13 0.21 0.00 0.01 0.00 0.00 42.46 40.47 1xfx s ILE 596 CO 0.01 -0.74 1.00 -0.46 0.00 0.00 0.00 174.94 174.74 1xfx n ASN 597 N 4.10 -0.91 0.00 3.58 0.23 -1.11 -2.61 115.26 118.54 1xfx n ASN 597 Ca 0.03 0.11 0.03 0.00 -0.53 0.00 0.00 54.58 54.22 1xfx n ASN 597 Cb 0.38 -1.34 0.14 0.00 -2.08 0.00 0.00 39.78 36.88 1xfx n ASN 597 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1xfx n PRO 598 N -4.38 0.09 -0.03 -0.53 -0.04 -1.26 -1.30 135.00 127.54 1xfx n PRO 598 Ca 0.07 0.20 -0.15 0.00 -0.04 0.00 0.00 63.50 63.58 1xfx n PRO 598 Cb 0.53 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1xfx n PRO 598 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1xfx n GLU 599 N -1.25 0.69 0.00 0.54 -0.58 -1.26 -3.39 120.64 115.39 1xfx n GLU 599 Ca 0.03 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1xfx n GLU 599 Cb 0.04 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1xfx n GLU 599 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfx n GLY 600 N 1.82 1.16 3.78 0.62 0.00 -0.42 -4.83 105.19 107.32 1xfx n GLY 600 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1xfx n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xfx s GLU 601 N 0.00 3.50 0.06 1.61 2.02 -1.26 -4.84 118.70 119.79 1xfx s GLU 601 Ca 0.00 1.61 -0.04 0.00 0.02 0.00 0.00 54.97 56.56 1xfx s GLU 601 Cb 0.00 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 1xfx s GLU 601 CO 0.00 -0.73 0.28 -0.06 0.02 0.00 0.00 175.26 174.77 1xfx s PHE 602 N -1.75 3.53 -0.08 1.61 2.99 -1.26 -2.77 117.98 120.25 1xfx s PHE 602 Ca 0.70 0.46 -0.13 0.00 0.00 0.00 0.00 56.93 57.96 1xfx s PHE 602 Cb -0.24 -1.92 0.03 0.00 0.00 0.00 0.00 43.02 40.89 1xfx s PHE 602 CO 0.28 0.55 0.33 0.42 -0.00 0.00 0.00 175.22 176.80 1xfx s ILE 603 N -1.47 0.03 -0.24 0.64 1.01 -0.20 -2.24 121.20 118.73 1xfx s ILE 603 Ca 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 1xfx s ILE 603 Cb -0.13 -0.55 0.09 0.00 0.01 0.00 0.00 42.46 41.88 1xfx s ILE 603 CO 0.22 -0.11 0.14 -0.22 0.00 0.00 0.00 174.94 174.97 1xfx s LEU 604 N -0.49 0.32 1.17 2.97 2.96 -1.19 0.56 118.68 124.98 1xfx s LEU 604 Ca -0.06 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 52.84 1xfx s LEU 604 Cb -0.04 -0.14 0.28 0.00 0.50 0.00 0.00 46.19 46.79 1xfx s LEU 604 CO 0.02 -0.39 1.03 0.42 -1.32 0.00 0.00 176.35 176.11 1xfx s THR 605 N 2.17 1.90 0.00 3.68 -4.23 -0.48 -3.16 115.64 115.51 1xfx s THR 605 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1xfx s THR 605 Cb -0.16 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1xfx s THR 605 CO -0.24 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.13 1xfx n LYS 606 N -4.88 1.24 -4.25 3.99 5.02 -1.26 -3.58 118.16 114.44 1xfx n LYS 606 Ca 0.04 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 1xfx n LYS 606 Cb 0.56 -0.89 -0.10 0.00 -0.02 0.00 0.00 35.03 34.58 1xfx n LYS 606 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xfx s ASN 607 N -1.67 1.72 0.33 4.39 0.01 -1.21 -4.17 114.94 114.34 1xfx s ASN 607 Ca 0.00 -1.03 0.03 0.00 -0.71 0.00 0.00 52.86 51.15 1xfx s ASN 607 Cb 0.00 0.00 0.57 0.00 0.41 0.00 0.00 41.25 42.24 1xfx s ASN 607 CO 0.00 -0.36 1.88 -0.25 -1.51 0.00 0.00 177.10 176.86 1xfx h TRP 608 N 2.77 0.62 0.09 2.20 2.91 -1.80 -0.27 115.95 122.47 1xfx h TRP 608 Ca -0.37 -0.05 -0.00 0.00 1.13 0.00 0.00 58.89 59.60 1xfx h TRP 608 Cb 1.19 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 29.66 1xfx h TRP 608 CO 0.63 0.56 -0.05 0.93 -1.03 0.00 0.00 178.44 179.49 1xfx h GLU 609 N 0.59 -0.12 -0.95 2.65 3.07 -1.94 -1.94 114.58 115.93 1xfx h GLU 609 Ca 0.13 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1xfx h GLU 609 Cb 0.28 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.14 1xfx h GLU 609 CO 0.00 0.36 0.59 1.98 -1.40 0.00 0.00 179.01 180.55 1xfx h MET 610 N -0.69 0.98 0.02 2.33 4.05 -1.90 1.06 114.93 120.79 1xfx h MET 610 Ca -0.01 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1xfx h MET 610 Cb 0.54 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1xfx h MET 610 CO 0.02 0.65 -0.03 1.15 0.23 0.00 0.00 176.91 178.93 1xfx h THR 611 N 1.01 0.92 0.43 -0.77 2.02 -1.06 1.46 112.91 116.92 1xfx h THR 611 Ca 0.44 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.61 1xfx h THR 611 Cb 0.32 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1xfx h THR 611 CO -0.22 0.00 -0.50 1.23 0.37 0.00 0.00 175.52 176.40 1xfx h GLY 612 N -0.07 -1.22 0.15 2.16 0.00 -0.16 0.39 103.07 104.32 1xfx h GLY 612 Ca 0.01 0.59 0.12 0.00 0.00 0.00 0.00 47.33 48.04 1xfx h GLY 612 CO -0.02 -0.35 0.11 3.21 0.00 0.00 0.00 176.54 179.49 1xfx h ARG 613 N -0.96 0.23 0.23 4.80 3.08 0.13 -0.87 114.38 121.03 1xfx h ARG 613 Ca -0.05 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1xfx h ARG 613 Cb 0.85 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1xfx h ARG 613 CO -0.10 0.15 -0.33 0.35 -1.07 0.00 0.00 179.97 178.96 1xfx h PHE 614 N 0.23 -0.90 -0.65 3.04 3.57 0.28 -2.11 116.94 120.39 1xfx h PHE 614 Ca 0.32 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.94 1xfx h PHE 614 Cb 0.48 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1xfx h PHE 614 CO -0.26 -0.46 0.44 0.82 -2.23 0.00 0.00 178.31 176.62 1xfx h ILE 615 N -0.63 0.86 -0.37 1.41 2.04 0.87 -0.58 117.51 121.11 1xfx h ILE 615 Ca 0.00 -0.14 -0.13 0.00 1.00 0.00 0.00 64.86 65.60 1xfx h ILE 615 Cb 0.61 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1xfx h ILE 615 CO -0.12 0.07 -0.26 -0.33 0.00 0.00 0.00 178.15 177.51 1xfx h GLU 616 N 0.41 0.83 -0.08 2.37 5.08 -0.58 0.50 114.58 123.10 1xfx h GLU 616 Ca 0.31 -0.40 -0.21 0.00 -1.00 0.00 0.00 59.36 58.06 1xfx h GLU 616 Cb 0.65 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1xfx h GLU 616 CO -0.09 1.04 -0.77 -0.22 -1.00 0.00 0.00 179.01 177.97 1xfx h LYS 617 N 0.63 0.67 0.00 2.33 3.64 -0.76 -1.28 116.57 121.80 1xfx h LYS 617 Ca 0.07 -0.61 -0.36 0.00 -1.27 0.00 0.00 60.65 58.48 1xfx h LYS 617 Cb 0.84 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 1xfx h LYS 617 CO 0.07 1.22 -2.29 0.09 -2.27 0.00 0.00 179.45 176.27 1xfx n ASN 618 N -4.01 0.29 0.00 4.20 4.13 -0.29 -4.56 115.26 115.02 1xfx n ASN 618 Ca -0.09 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1xfx n ASN 618 Cb 0.74 0.72 0.00 0.00 -1.54 0.00 0.00 39.78 39.71 1xfx n ASN 618 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1xfx n ILE 619 N -2.84 0.00 -0.16 2.41 5.41 0.12 -4.39 119.36 119.91 1xfx n ILE 619 Ca -0.31 0.31 -0.04 0.00 1.00 0.00 0.00 62.75 63.70 1xfx n ILE 619 Cb 1.13 -1.30 -0.04 0.00 -0.71 0.00 0.00 39.64 38.72 1xfx n ILE 619 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xfx n THR 620 N -2.47 -0.25 -1.89 1.39 -1.04 0.13 -1.42 114.28 108.73 1xfx n THR 620 Ca 0.00 1.32 -0.36 0.00 -2.04 0.00 0.00 64.05 62.97 1xfx n THR 620 Cb 0.00 -1.67 0.04 0.00 -1.82 0.00 0.00 70.33 66.88 1xfx n THR 620 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xfx n GLY 621 N -1.09 5.73 0.00 3.41 0.00 -0.48 -4.74 105.19 108.01 1xfx n GLY 621 Ca 0.01 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.53 1xfx n GLY 621 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xfx n LYS 622 N -0.62 0.73 -2.78 1.61 3.00 -0.51 -4.90 118.16 114.68 1xfx n LYS 622 Ca 0.53 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.44 1xfx n LYS 622 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.47 1xfx n LYS 622 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xfx n ASP 623 N -0.71 6.73 -4.23 3.14 8.00 -1.26 -4.94 116.55 123.28 1xfx n ASP 623 Ca 0.00 -3.62 -0.23 0.00 0.71 0.00 0.00 54.79 51.65 1xfx n ASP 623 Cb 0.00 -1.11 -0.13 0.00 -0.02 0.00 0.00 41.12 39.85 1xfx n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xfx s TYR 624 N -3.83 1.63 -0.07 1.24 1.51 -1.25 -1.71 117.35 114.87 1xfx s TYR 624 Ca 0.38 -0.39 -0.25 0.00 -1.01 0.00 0.00 57.07 55.80 1xfx s TYR 624 Cb 0.16 -0.94 -0.03 0.00 -0.11 0.00 0.00 41.96 41.05 1xfx s TYR 624 CO -0.07 0.11 0.76 -1.17 -1.11 0.00 0.00 175.55 174.08 1xfx s LEU 625 N -1.46 4.30 -0.17 -1.29 2.96 -0.46 -4.64 118.68 117.93 1xfx s LEU 625 Ca 0.05 1.26 -0.15 0.00 -0.22 0.00 0.00 54.13 55.07 1xfx s LEU 625 Cb -0.09 -3.18 0.04 0.00 0.50 0.00 0.00 46.19 43.46 1xfx s LEU 625 CO 0.02 -0.18 0.44 -0.47 -1.32 0.00 0.00 176.35 174.84 1xfx s TYR 626 N 1.05 -0.49 0.13 5.38 5.04 -1.26 -3.94 117.35 123.26 1xfx s TYR 626 Ca 0.40 1.19 0.05 0.00 -2.44 0.00 0.00 57.07 56.27 1xfx s TYR 626 Cb -0.18 0.17 -0.04 0.00 0.35 0.00 0.00 41.96 42.26 1xfx s TYR 626 CO 0.19 -0.24 -0.12 1.52 -1.34 0.00 0.00 175.55 175.56 1xfx s TYR 627 N 0.25 1.34 0.19 4.97 -0.85 -1.26 -5.03 117.35 116.96 1xfx s TYR 627 Ca -0.00 -0.63 0.11 0.00 -0.52 0.00 0.00 57.07 56.03 1xfx s TYR 627 Cb -0.03 -0.69 -0.04 0.00 0.38 0.00 0.00 41.96 41.58 1xfx s TYR 627 CO 0.00 0.13 -0.24 -0.59 -1.52 0.00 0.00 175.55 173.33 1xfx s PHE 628 N -2.61 2.27 -0.44 -3.49 -0.12 -1.26 -4.99 117.98 107.34 1xfx s PHE 628 Ca 0.12 -0.37 -0.40 0.00 -0.05 0.00 0.00 56.93 56.23 1xfx s PHE 628 Cb -0.02 -1.13 -0.17 0.00 -0.63 0.00 0.00 43.02 41.06 1xfx s PHE 628 CO 0.02 0.48 1.63 -1.71 -0.05 0.00 0.00 175.22 175.59 1xfx n ASN 629 N 0.31 0.89 0.26 1.98 4.05 -1.21 -4.77 115.26 116.78 1xfx n ASN 629 Ca -0.13 0.85 0.16 0.00 0.45 0.00 0.00 54.58 55.92 1xfx n ASN 629 Cb 0.56 -0.79 0.76 0.00 1.23 0.00 0.00 39.78 41.54 1xfx n ASN 629 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 1xfx h ARG 630 N 6.00 0.00 -0.40 1.20 2.47 -1.96 -0.48 114.38 121.20 1xfx h ARG 630 Ca -0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1xfx h ARG 630 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1xfx h ARG 630 CO 0.91 0.00 0.00 0.43 0.56 0.00 0.00 179.97 181.87 1xfx n SER 631 N -3.11 1.97 -4.75 7.04 7.64 -1.26 -4.82 113.62 116.33 1xfx n SER 631 Ca 0.01 -2.05 -0.40 0.00 1.01 0.00 0.00 58.87 57.44 1xfx n SER 631 Cb 0.48 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 1xfx n SER 631 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xfx s TYR 632 N -1.58 3.93 0.00 1.43 4.12 -0.19 -2.94 117.35 122.11 1xfx s TYR 632 Ca 0.23 1.84 0.00 0.00 0.02 0.00 0.00 57.07 59.16 1xfx s TYR 632 Cb 0.13 -2.97 0.00 0.00 -1.52 0.00 0.00 41.96 37.59 1xfx s TYR 632 CO 0.14 0.39 0.00 0.09 0.02 0.00 0.00 175.55 176.20 1xfx n ASN 633 N 1.89 -1.99 -1.35 2.29 3.02 -0.39 -4.89 115.26 113.84 1xfx n ASN 633 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1xfx n ASN 633 Cb 0.48 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 1xfx n ASN 633 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xfx n LYS 634 N -1.73 2.52 -3.68 3.52 5.02 -1.15 -5.01 118.16 117.65 1xfx n LYS 634 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1xfx n LYS 634 Cb 0.09 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.00 1xfx n LYS 634 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1xfx n ILE 635 N -0.09 1.12 -1.14 -0.18 -0.00 -1.26 -4.33 119.36 113.49 1xfx n ILE 635 Ca 0.00 -4.62 -0.49 0.00 -0.00 0.00 0.00 62.75 57.63 1xfx n ILE 635 Cb 0.00 -2.06 -0.09 0.00 -0.00 0.00 0.00 39.64 37.49 1xfx n ILE 635 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1xfx n ALA 636 N 1.88 -0.36 -0.02 -1.39 0.00 -0.94 -4.62 120.51 115.06 1xfx n ALA 636 Ca 0.24 0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 1xfx n ALA 636 Cb 0.40 -1.56 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 1xfx n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xfx h PRO 637 N 5.66 -0.21 0.00 0.00 0.11 -1.82 0.89 132.00 136.63 1xfx h PRO 637 Ca -0.19 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1xfx h PRO 637 Cb 1.09 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xfx h PRO 637 CO 0.81 -0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 1xfx n GLY 638 N -1.17 -1.82 0.77 -0.55 0.00 -1.21 -0.89 105.19 100.32 1xfx n GLY 638 Ca -0.02 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.48 1xfx n GLY 638 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xfx n ASN 639 N -1.24 2.29 -4.00 1.61 2.04 -1.24 -4.94 115.26 109.77 1xfx n ASN 639 Ca 0.00 -1.83 -0.27 0.00 -0.44 0.00 0.00 54.58 52.05 1xfx n ASN 639 Cb 0.00 -0.16 -0.03 0.00 -2.53 0.00 0.00 39.78 37.06 1xfx n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1xfx n LYS 640 N 0.74 -3.08 -4.38 -3.83 5.02 0.30 -4.95 118.16 107.98 1xfx n LYS 640 Ca 0.17 0.37 -0.32 0.00 -2.02 0.00 0.00 58.31 56.52 1xfx n LYS 640 Cb 0.42 -4.49 -0.10 0.00 -0.02 0.00 0.00 35.03 30.85 1xfx n LYS 640 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xfx s ALA 641 N -3.95 3.08 -0.40 7.82 0.00 -1.01 -4.86 121.76 122.44 1xfx s ALA 641 Ca 0.06 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.90 1xfx s ALA 641 Cb -0.03 -1.15 0.07 0.00 0.00 0.00 0.00 23.12 22.01 1xfx s ALA 641 CO 0.90 0.63 0.22 -0.47 0.00 0.00 0.00 175.76 177.04 1xfx s TYR 642 N -1.05 3.34 -0.27 0.00 5.04 -1.26 -2.21 117.35 120.94 1xfx s TYR 642 Ca 0.18 -1.59 -0.03 0.00 -2.44 0.00 0.00 57.07 53.20 1xfx s TYR 642 Cb -0.11 -2.82 0.03 0.00 0.35 0.00 0.00 41.96 39.41 1xfx s TYR 642 CO 0.09 -0.83 -0.02 0.42 -1.34 0.00 0.00 175.55 173.87 1xfx s ILE 643 N 1.39 3.12 0.29 3.14 1.01 -1.26 -4.96 121.20 123.93 1xfx s ILE 643 Ca 0.02 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.37 1xfx s ILE 643 Cb -0.22 -2.63 -0.09 0.00 0.01 0.00 0.00 42.46 39.53 1xfx s ILE 643 CO 0.02 0.12 1.04 -0.70 0.00 0.00 0.00 174.94 175.41 1xfx s GLU 644 N 1.35 4.61 -0.24 2.79 2.12 -1.26 -1.26 118.70 126.80 1xfx s GLU 644 Ca -0.00 1.63 -0.10 0.00 0.36 0.00 0.00 54.97 56.87 1xfx s GLU 644 Cb -0.17 -3.06 0.10 0.00 0.26 0.00 0.00 34.13 31.25 1xfx s GLU 644 CO -0.02 0.23 0.54 -0.46 -0.54 0.00 0.00 175.26 175.01 1xfx s TRP 645 N -1.29 -1.00 -0.24 5.30 -0.11 -1.26 -4.89 118.94 115.44 1xfx s TRP 645 Ca 0.46 1.87 -0.39 0.00 1.22 0.00 0.00 56.10 59.27 1xfx s TRP 645 Cb -0.28 0.53 -0.15 0.00 -1.50 0.00 0.00 33.47 32.07 1xfx s TRP 645 CO 0.35 -0.54 1.78 0.25 -4.62 0.00 0.00 176.95 174.18 1xfx n THR 646 N 5.10 0.38 -4.01 5.86 -2.24 -1.26 -4.85 114.28 113.27 1xfx n THR 646 Ca -0.13 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.25 1xfx n THR 646 Cb 0.51 -1.39 -0.15 0.00 -2.10 0.00 0.00 70.33 67.21 1xfx n THR 646 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xfx s ASP 647 N 3.72 4.66 0.30 3.42 3.68 -1.26 -5.00 116.67 126.19 1xfx s ASP 647 Ca 0.97 -1.55 0.06 0.00 2.13 0.00 0.00 52.55 54.16 1xfx s ASP 647 Cb -0.98 -1.62 0.79 0.00 -1.45 0.00 0.00 42.92 39.66 1xfx s ASP 647 CO 0.63 -0.26 1.70 -0.65 0.13 0.00 0.00 175.17 176.72 1xfx h PRO 648 N 7.81 0.42 -0.51 4.34 0.11 -2.00 0.10 132.00 142.28 1xfx h PRO 648 Ca -0.16 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.97 1xfx h PRO 648 Cb 1.04 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.01 1xfx h PRO 648 CO 0.50 0.28 0.26 0.82 -0.21 0.00 0.00 178.00 179.65 1xfx h ILE 649 N 0.44 0.96 -0.41 4.15 2.04 -1.99 -0.99 117.51 121.70 1xfx h ILE 649 Ca 0.59 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 66.23 1xfx h ILE 649 Cb 1.14 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1xfx h ILE 649 CO -0.52 0.09 0.07 0.74 0.00 0.00 0.00 178.15 178.53 1xfx h THR 650 N 0.51 1.20 -0.68 -0.27 2.02 -1.26 -2.69 112.91 111.75 1xfx h THR 650 Ca 0.22 -0.74 0.12 0.00 0.77 0.00 0.00 66.41 66.79 1xfx h THR 650 Cb 0.13 0.81 -0.13 0.00 -1.74 0.00 0.00 68.15 67.22 1xfx h THR 650 CO -0.15 0.26 -0.30 0.50 0.37 0.00 0.00 175.52 176.20 1xfx h LYS 651 N 0.61 -0.10 -0.00 6.66 1.63 -0.43 0.91 116.57 125.85 1xfx h LYS 651 Ca 0.14 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1xfx h LYS 651 Cb 0.28 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1xfx h LYS 651 CO 0.00 -0.07 -0.00 0.00 -3.45 0.00 0.00 179.45 175.93 1xfx n ALA 652 N -3.21 2.67 -0.14 5.00 0.00 -1.03 -4.15 120.51 119.65 1xfx n ALA 652 Ca 0.06 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1xfx n ALA 652 Cb 0.37 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 1xfx n ALA 652 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1xfx h LYS 653 N 0.16 0.64 -0.97 0.00 3.64 -0.60 -2.77 116.57 116.67 1xfx h LYS 653 Ca 0.00 -0.13 0.23 0.00 -1.27 0.00 0.00 60.65 59.48 1xfx h LYS 653 Cb 0.05 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.70 1xfx h LYS 653 CO 0.00 0.61 0.63 0.82 -2.27 0.00 0.00 179.45 179.25 1xfx h ILE 654 N 0.53 0.62 -0.60 2.00 2.04 -1.73 0.62 117.51 121.00 1xfx h ILE 654 Ca 0.14 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 1xfx h ILE 654 Cb 0.23 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1xfx h ILE 654 CO -0.01 0.08 0.13 0.59 0.00 0.00 0.00 178.15 178.94 1xfx n ASN 655 N -4.56 4.86 -4.06 1.72 5.03 -1.05 -4.36 115.26 112.84 1xfx n ASN 655 Ca 0.22 -2.96 -0.28 0.00 0.87 0.00 0.00 54.58 52.42 1xfx n ASN 655 Cb 0.77 -0.70 -0.17 0.00 -1.02 0.00 0.00 39.78 38.67 1xfx n ASN 655 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xfx s THR 656 N -2.65 1.48 0.31 3.41 2.01 0.21 -3.94 115.64 116.48 1xfx s THR 656 Ca 0.49 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.56 1xfx s THR 656 Cb 0.38 -1.35 -0.10 0.00 0.01 0.00 0.00 72.50 71.44 1xfx s THR 656 CO 0.13 0.44 1.34 -0.51 -0.69 0.00 0.00 174.62 175.33 1xfx s ILE 657 N 0.94 2.68 0.95 1.82 2.07 -1.26 -4.74 121.20 123.65 1xfx s ILE 657 Ca -0.08 0.66 -0.12 0.00 -1.41 0.00 0.00 60.65 59.70 1xfx s ILE 657 Cb -0.15 -3.42 0.16 0.00 0.13 0.00 0.00 42.46 39.18 1xfx s ILE 657 CO -0.01 0.14 1.10 -2.16 -1.91 0.00 0.00 174.94 172.10 1xfx s PRO 658 N -1.48 0.81 0.38 3.50 0.04 -1.26 -5.05 135.00 131.95 1xfx s PRO 658 Ca 0.51 0.60 0.07 0.00 0.04 0.00 0.00 61.00 62.23 1xfx s PRO 658 Cb -0.40 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 1xfx s PRO 658 CO 0.51 -2.49 0.51 0.95 0.04 0.00 0.00 177.00 176.52 1xfx s THR 659 N -2.99 3.47 0.14 1.26 -4.23 -1.26 -4.88 115.64 107.15 1xfx s THR 659 Ca 0.64 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.85 1xfx s THR 659 Cb -0.18 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.45 1xfx s THR 659 CO 0.57 -0.07 1.59 -1.28 -0.54 0.00 0.00 174.62 174.88 1xfx h SER 660 N 0.79 -1.24 -0.16 3.99 0.87 -1.90 0.05 113.55 115.95 1xfx h SER 660 Ca -0.43 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 1xfx h SER 660 Cb 1.27 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 63.74 1xfx h SER 660 CO 0.49 -0.39 0.03 0.00 -0.53 0.00 0.00 176.83 176.43 1xfx h ALA 661 N 0.29 0.21 -0.12 6.23 0.00 -1.95 0.20 119.26 124.12 1xfx h ALA 661 Ca 0.10 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xfx h ALA 661 Cb 0.60 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xfx h ALA 661 CO -0.42 -0.13 0.20 1.49 0.00 0.00 0.00 179.25 180.39 1xfx h GLU 662 N 0.06 0.00 0.00 0.00 4.81 -1.87 0.98 114.58 118.56 1xfx h GLU 662 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1xfx h GLU 662 Cb 0.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1xfx h GLU 662 CO 0.00 0.00 -0.12 0.35 -0.73 0.00 0.00 179.01 178.52 1xfx h PHE 663 N 0.00 0.00 -0.75 0.92 3.57 -0.17 -3.10 116.94 117.41 1xfx h PHE 663 Ca 0.06 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.73 1xfx h PHE 663 Cb 0.46 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1xfx h PHE 663 CO 0.00 0.20 0.51 0.82 -2.23 0.00 0.00 178.31 177.62 1xfx h ILE 664 N -1.00 0.73 0.50 1.41 2.04 -0.58 -2.14 117.51 118.48 1xfx h ILE 664 Ca -0.01 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1xfx h ILE 664 Cb 0.27 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1xfx h ILE 664 CO -0.01 0.05 -0.27 0.11 0.00 0.00 0.00 178.15 178.03 1xfx h LYS 665 N 0.28 -0.69 -0.02 2.37 6.56 -0.92 -1.78 116.57 122.37 1xfx h LYS 665 Ca 0.37 0.05 0.01 0.00 -1.06 0.00 0.00 60.65 60.02 1xfx h LYS 665 Cb 1.05 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.86 1xfx h LYS 665 CO -0.09 -0.46 0.46 -0.91 -2.06 0.00 0.00 179.45 176.39 1xfx h ASN 666 N -0.71 0.00 0.12 0.86 -0.26 -1.31 0.65 115.58 114.93 1xfx h ASN 666 Ca -0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1xfx h ASN 666 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1xfx h ASN 666 CO 0.09 0.00 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.34 1xfx h LEU 667 N 0.00 -0.14 -0.95 1.61 3.38 -1.14 -3.16 115.31 114.92 1xfx h LEU 667 Ca 0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.19 1xfx h LEU 667 Cb 0.93 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.54 1xfx h LEU 667 CO -0.00 0.18 -0.18 -0.24 0.09 0.00 0.00 178.44 178.30 1xfx n SER 668 N -3.99 -0.29 0.00 -0.43 2.88 -0.02 -1.51 113.62 110.26 1xfx n SER 668 Ca -0.02 1.63 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1xfx n SER 668 Cb 0.06 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1xfx n SER 668 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xfx n SER 669 N -5.52 0.00 -0.25 -3.46 2.88 0.02 -1.81 113.62 105.48 1xfx n SER 669 Ca 0.17 0.84 0.06 0.00 -1.33 0.00 0.00 58.87 58.60 1xfx n SER 669 Cb 0.54 -0.34 0.18 0.00 -0.75 0.00 0.00 64.21 63.84 1xfx n SER 669 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1xfx h ILE 670 N 0.00 0.46 -0.56 2.46 2.04 -1.23 0.66 117.51 121.33 1xfx h ILE 670 Ca 0.00 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 65.87 1xfx h ILE 670 Cb 0.00 0.22 -0.11 0.00 -0.74 0.00 0.00 36.82 36.19 1xfx h ILE 670 CO 0.00 0.04 -0.42 -0.09 0.00 0.00 0.00 178.15 177.68 1xfx h ARG 671 N 0.22 -0.22 -0.42 2.37 2.43 -1.02 0.92 114.38 118.66 1xfx h ARG 671 Ca 0.42 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1xfx h ARG 671 Cb 0.74 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1xfx h ARG 671 CO -0.55 -0.15 0.00 -2.13 -1.51 0.00 0.00 179.97 175.63 1xfx n ARG 672 N -5.41 0.47 0.00 0.20 0.00 0.22 -3.22 116.66 108.92 1xfx n ARG 672 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1xfx n ARG 672 Cb 0.35 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.60 1xfx n ARG 672 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1xfx n SER 673 N 0.19 0.00 -4.43 6.15 2.88 0.31 -4.89 113.62 113.83 1xfx n SER 673 Ca 0.00 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 57.10 1xfx n SER 673 Cb 0.11 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 1xfx n SER 673 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xfx s SER 674 N -2.39 6.38 0.00 -3.46 1.04 -0.39 -4.88 113.70 110.00 1xfx s SER 674 Ca 0.00 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.85 1xfx s SER 674 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1xfx s SER 674 CO 0.00 -1.18 0.30 0.59 0.98 0.00 0.00 173.24 173.93 1xfx n ASN 675 N 6.79 0.00 -4.69 7.02 3.02 -1.20 -4.44 115.26 121.76 1xfx n ASN 675 Ca 0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 1xfx n ASN 675 Cb 0.46 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.59 1xfx n ASN 675 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xfx s VAL 676 N -1.23 4.93 0.38 2.41 -7.23 -1.26 -4.84 120.40 113.56 1xfx s VAL 676 Ca 0.00 1.65 0.00 0.00 -1.81 0.00 0.00 61.98 61.82 1xfx s VAL 676 Cb 0.00 -4.14 -0.03 0.00 0.56 0.00 0.00 36.38 32.78 1xfx s VAL 676 CO 0.00 0.12 0.60 -0.83 -0.31 0.00 0.00 175.10 174.67 1xfx s GLY 677 N 1.02 1.41 0.24 2.32 0.00 -1.26 -4.45 107.32 106.61 1xfx s GLY 677 Ca 0.40 -0.92 -0.13 0.00 0.00 0.00 0.00 44.72 44.07 1xfx s GLY 677 CO 0.17 -0.83 1.57 -2.08 0.00 0.00 0.00 173.10 171.93 1xfx h VAL 678 N 0.62 0.07 -4.27 1.40 2.07 -1.97 -3.38 116.25 110.79 1xfx h VAL 678 Ca -0.49 0.00 -0.60 0.00 0.82 0.00 0.00 66.70 66.44 1xfx h VAL 678 Cb 1.23 0.07 -0.30 0.00 -1.52 0.00 0.00 31.29 30.77 1xfx h VAL 678 CO 0.60 0.00 -0.85 -0.72 0.02 0.00 0.00 177.57 176.62 1xfx s TYR 679 N -6.13 1.86 0.10 1.57 -0.85 -1.26 -4.90 117.35 107.73 1xfx s TYR 679 Ca -0.14 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 56.00 1xfx s TYR 679 Cb 0.23 -1.21 -0.04 0.00 0.38 0.00 0.00 41.96 41.32 1xfx s TYR 679 CO 0.74 -0.08 0.24 0.21 -1.52 0.00 0.00 175.55 175.15 1xfx s LYS 680 N -0.34 3.45 -0.97 -3.49 2.20 -1.26 -5.02 119.74 114.30 1xfx s LYS 680 Ca 0.04 -0.48 -0.23 0.00 -0.36 0.00 0.00 55.97 54.94 1xfx s LYS 680 Cb -0.09 -3.01 0.05 0.00 -1.51 0.00 0.00 37.83 33.28 1xfx s LYS 680 CO 0.00 0.57 1.40 0.34 -0.36 0.00 0.00 175.35 177.30 1xfx s ASP 681 N -2.77 6.46 0.00 1.43 2.15 -1.26 -4.81 116.67 117.87 1xfx s ASP 681 Ca 0.35 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 51.97 1xfx s ASP 681 Cb -0.12 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1xfx s ASP 681 CO 0.28 -1.52 0.00 -1.54 -0.17 0.00 0.00 175.17 172.22 1xfx n SER 682 N 8.77 0.00 -0.00 -0.34 3.41 -1.26 -5.08 113.62 119.12 1xfx n SER 682 Ca 0.28 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.92 1xfx n SER 682 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 1xfx n SER 682 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xfx n GLY 683 N 0.00 0.13 3.57 5.00 0.00 -1.26 -4.95 105.19 107.67 1xfx n GLY 683 Ca 0.00 -0.16 -0.52 0.00 0.00 0.00 0.00 46.02 45.34 1xfx n GLY 683 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xfx n ASP 684 N -1.38 2.49 0.00 1.61 5.68 -1.26 -4.67 116.55 119.02 1xfx n ASP 684 Ca 0.00 0.71 0.02 0.00 -0.50 0.00 0.00 54.79 55.02 1xfx n ASP 684 Cb 0.12 -1.25 0.10 0.00 -1.14 0.00 0.00 41.12 38.95 1xfx n ASP 684 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xfx n LYS 685 N 7.13 0.19 -0.02 0.11 4.76 -1.26 -0.10 118.16 128.97 1xfx n LYS 685 Ca 0.33 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.66 1xfx n LYS 685 Cb 0.22 -1.29 -0.14 0.00 -1.84 0.00 0.00 35.03 31.98 1xfx n LYS 685 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xfx n ASP 686 N -0.79 1.15 0.32 4.39 10.43 -1.26 -3.05 116.55 127.74 1xfx n ASP 686 Ca 0.03 0.37 -0.13 0.00 2.57 0.00 0.00 54.79 57.63 1xfx n ASP 686 Cb 0.01 -0.24 -0.06 0.00 1.84 0.00 0.00 41.12 42.67 1xfx n ASP 686 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1xfx h GLU 687 N 0.02 -0.81 -1.01 -1.24 4.57 -0.85 -2.16 114.58 113.09 1xfx h GLU 687 Ca -0.32 0.06 0.25 0.00 -1.18 0.00 0.00 59.36 58.16 1xfx h GLU 687 Cb 2.02 0.18 -0.09 0.00 -0.16 0.00 0.00 28.75 30.70 1xfx h GLU 687 CO 0.08 -0.54 0.65 0.35 -1.18 0.00 0.00 179.01 178.37 1xfx h PHE 688 N -1.06 0.70 0.03 0.92 -0.00 -1.73 0.87 116.94 116.68 1xfx h PHE 688 Ca -0.09 0.02 0.03 0.00 -0.00 0.00 0.00 57.97 57.94 1xfx h PHE 688 Cb 0.65 -0.21 -0.05 0.00 -0.00 0.00 0.00 35.95 36.34 1xfx h PHE 688 CO 0.03 0.09 -0.32 0.00 -0.00 0.00 0.00 178.31 178.11 1xfx h ALA 689 N 1.63 -0.49 0.13 2.41 0.00 -1.42 0.25 119.26 121.77 1xfx h ALA 689 Ca 0.58 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.47 1xfx h ALA 689 Cb 1.37 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1xfx h ALA 689 CO -0.30 -0.84 -0.19 0.87 0.00 0.00 0.00 179.25 178.79 1xfx h LYS 690 N -0.49 -0.36 -0.08 0.00 1.57 0.13 0.11 116.57 117.45 1xfx h LYS 690 Ca 0.05 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1xfx h LYS 690 Cb 0.56 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1xfx h LYS 690 CO -0.25 -0.24 -0.40 -0.22 -0.57 0.00 0.00 179.45 177.78 1xfx h LYS 691 N -0.37 -0.42 -1.16 3.15 3.64 -0.38 0.23 116.57 121.25 1xfx h LYS 691 Ca 0.02 0.03 0.33 0.00 -1.27 0.00 0.00 60.65 59.75 1xfx h LYS 691 Cb 0.38 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.21 1xfx h LYS 691 CO -0.09 -0.28 0.77 1.49 -2.27 0.00 0.00 179.45 179.07 1xfx h GLU 692 N -0.44 0.22 0.00 1.90 4.57 -0.31 -0.05 114.58 120.47 1xfx h GLU 692 Ca 0.02 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 57.99 1xfx h GLU 692 Cb 0.50 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 1xfx h GLU 692 CO -0.31 0.14 -0.95 1.03 -1.18 0.00 0.00 179.01 177.74 1xfx h SER 693 N 0.22 0.01 0.21 1.04 0.87 0.20 -2.82 113.55 113.28 1xfx h SER 693 Ca 0.64 -0.01 -0.32 0.00 -1.23 0.00 0.00 61.79 60.87 1xfx h SER 693 Cb 1.96 -0.00 0.04 0.00 -0.44 0.00 0.00 62.40 63.96 1xfx h SER 693 CO -0.24 0.96 -1.39 -0.37 -0.53 0.00 0.00 176.83 175.26 1xfx h VAL 694 N 0.00 1.28 -0.29 2.23 -1.51 0.58 -2.71 116.25 115.83 1xfx h VAL 694 Ca -0.01 -2.60 0.08 0.00 -1.23 0.00 0.00 66.70 62.94 1xfx h VAL 694 Cb 1.68 2.90 -0.01 0.00 -2.13 0.00 0.00 31.29 33.73 1xfx h VAL 694 CO 0.12 0.79 0.38 0.50 -1.23 0.00 0.00 177.57 178.13 1xfx h LYS 695 N 0.20 0.00 0.04 5.19 3.64 -1.09 0.70 116.57 125.25 1xfx h LYS 695 Ca -0.23 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.89 1xfx h LYS 695 Cb 2.07 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.90 1xfx h LYS 695 CO 0.26 0.00 -1.06 0.87 -2.27 0.00 0.00 179.45 177.25 1xfx h LYS 696 N 0.00 0.51 -0.14 1.90 1.57 -1.22 -3.24 116.57 115.95 1xfx h LYS 696 Ca 0.14 -0.60 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 1xfx h LYS 696 Cb 0.90 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1xfx h LYS 696 CO -0.00 1.23 -0.22 0.82 -0.57 0.00 0.00 179.45 180.70 1xfx h ILE 697 N 0.26 1.36 0.00 1.86 2.04 0.42 -2.61 117.51 120.85 1xfx h ILE 697 Ca -0.12 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1xfx h ILE 697 Cb 1.72 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.78 1xfx h ILE 697 CO 0.19 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.77 1xfx n ALA 698 N -2.46 1.59 0.03 1.87 0.00 0.77 -1.52 120.51 120.79 1xfx n ALA 698 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xfx n ALA 698 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1xfx n ALA 698 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfx n GLY 699 N 0.46 -0.04 0.46 0.00 0.00 -1.02 -4.43 105.19 100.61 1xfx n GLY 699 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1xfx n GLY 699 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xfx h TYR 700 N 0.00 -1.24 -1.01 1.61 0.99 -0.92 0.33 116.97 116.73 1xfx h TYR 700 Ca 0.00 0.01 0.25 0.00 2.00 0.00 0.00 58.73 60.99 1xfx h TYR 700 Cb 0.47 0.49 -0.12 0.00 1.00 0.00 0.00 36.73 38.57 1xfx h TYR 700 CO 0.00 -0.61 0.60 -0.07 -0.00 0.00 0.00 178.16 178.09 1xfx h LEU 701 N -0.89 0.66 -0.99 3.88 3.38 -1.60 0.61 115.31 120.36 1xfx h LEU 701 Ca -0.04 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1xfx h LEU 701 Cb 0.79 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1xfx h LEU 701 CO -0.08 0.11 -0.24 -1.28 0.09 0.00 0.00 178.44 177.04 1xfx h SER 702 N 0.57 0.45 0.54 -0.43 0.87 -1.30 -2.83 113.55 111.42 1xfx h SER 702 Ca 0.64 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.89 1xfx h SER 702 Cb 1.24 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1xfx h SER 702 CO -0.46 0.69 -0.74 0.44 -0.53 0.00 0.00 176.83 176.24 1xfx h ASP 703 N 0.40 0.19 -0.21 6.23 3.45 0.39 -3.24 116.42 123.64 1xfx h ASP 703 Ca 0.06 -0.13 0.06 0.00 0.43 0.00 0.00 57.03 57.44 1xfx h ASP 703 Cb 0.64 -0.06 -0.07 0.00 -0.56 0.00 0.00 39.33 39.28 1xfx h ASP 703 CO 0.05 0.86 -0.32 0.22 -1.57 0.00 0.00 179.24 178.48 1xfx h TYR 704 N 0.10 -0.88 -1.02 4.55 3.20 -0.59 -3.00 116.97 119.33 1xfx h TYR 704 Ca -0.02 0.04 -0.74 0.00 3.14 0.00 0.00 58.73 61.15 1xfx h TYR 704 Cb 1.30 0.42 -0.12 0.00 1.54 0.00 0.00 36.73 39.87 1xfx h TYR 704 CO 0.02 -0.39 2.31 0.66 -1.64 0.00 0.00 178.16 179.12 1xfx n TYR 705 N -5.41 3.16 -3.95 -3.82 4.02 -1.22 -4.96 117.16 104.98 1xfx n TYR 705 Ca -0.02 -2.85 -0.36 0.00 -0.01 0.00 0.00 57.90 54.66 1xfx n TYR 705 Cb 0.33 -2.12 -0.07 0.00 -0.02 0.00 0.00 39.34 37.46 1xfx n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1xfx s ASN 706 N 1.56 6.15 0.00 7.72 3.84 -1.14 -4.98 114.94 128.09 1xfx s ASN 706 Ca 0.42 0.37 0.20 0.00 0.21 0.00 0.00 52.86 54.06 1xfx s ASN 706 Cb 0.10 -1.97 0.73 0.00 -0.55 0.00 0.00 41.25 39.56 1xfx s ASN 706 CO -0.02 0.37 1.53 -1.20 -2.79 0.00 0.00 177.10 174.99 1xfx n SER 707 N 2.24 1.57 -0.62 -4.21 7.64 -1.26 -2.78 113.62 116.20 1xfx n SER 707 Ca -0.19 -1.72 0.12 0.00 1.01 0.00 0.00 58.87 58.09 1xfx n SER 707 Cb 0.54 -0.11 0.13 0.00 -1.01 0.00 0.00 64.21 63.76 1xfx n SER 707 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xfx n ALA 708 N 0.27 3.03 0.24 -0.43 0.00 -1.26 -4.05 120.51 118.31 1xfx n ALA 708 Ca 0.15 -0.61 0.02 0.00 0.00 0.00 0.00 53.44 53.00 1xfx n ALA 708 Cb 0.31 -0.88 0.12 0.00 0.00 0.00 0.00 19.45 19.00 1xfx n ALA 708 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xfx n ASN 709 N 0.39 0.00 0.09 0.00 5.03 -1.12 -2.34 115.26 117.32 1xfx n ASN 709 Ca 0.12 -0.01 -0.14 0.00 0.87 0.00 0.00 54.58 55.42 1xfx n ASN 709 Cb 0.49 -0.09 -0.11 0.00 -1.02 0.00 0.00 39.78 39.04 1xfx n ASN 709 CO 0.00 0.00 0.00 1.12 -1.83 0.00 0.00 177.26 176.55 1xfx h HIS 710 N 0.00 0.43 0.00 3.10 2.07 -1.84 -3.15 115.15 115.76 1xfx h HIS 710 Ca 0.00 -0.29 0.00 0.00 -2.85 0.00 0.00 60.37 57.23 1xfx h HIS 710 Cb 0.01 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1xfx h HIS 710 CO 0.00 1.20 0.00 0.44 -3.07 0.00 0.00 177.93 176.50 1xfx n ILE 711 N -3.55 0.00 -4.62 6.12 -5.35 -0.99 -4.64 119.36 106.34 1xfx n ILE 711 Ca -0.07 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.09 1xfx n ILE 711 Cb 0.97 -0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.56 1xfx n ILE 711 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1xfx s PHE 712 N -1.51 1.78 0.38 4.28 2.99 -1.19 -5.15 117.98 119.56 1xfx s PHE 712 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 56.93 56.05 1xfx s PHE 712 Cb 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 43.02 41.35 1xfx s PHE 712 CO 0.00 0.09 0.40 -1.54 -0.00 0.00 0.00 175.22 174.17 1xfx s SER 713 N -3.96 5.36 0.10 1.36 1.04 -1.26 -4.96 113.70 111.38 1xfx s SER 713 Ca 0.09 -0.54 -0.29 0.00 0.48 0.00 0.00 55.95 55.69 1xfx s SER 713 Cb 0.00 -0.79 -0.12 0.00 0.10 0.00 0.00 66.02 65.22 1xfx s SER 713 CO 0.05 -0.56 1.63 1.56 0.98 0.00 0.00 173.24 176.91 1xfx h GLN 714 N 1.00 -0.57 -0.84 4.02 7.50 -1.96 -1.32 115.11 122.94 1xfx h GLN 714 Ca -0.43 0.04 0.15 0.00 0.50 0.00 0.00 58.65 58.91 1xfx h GLN 714 Cb 1.26 0.13 -0.15 0.00 0.05 0.00 0.00 27.48 28.77 1xfx h GLN 714 CO 0.55 -0.38 -0.32 1.49 -1.50 0.00 0.00 178.83 178.67 1xfx h GLU 715 N -0.59 -0.05 -0.22 1.46 4.57 -2.01 -1.37 114.58 116.37 1xfx h GLU 715 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1xfx h GLU 715 Cb 0.55 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 1xfx h GLU 715 CO -0.07 -0.03 0.02 -0.22 -1.18 0.00 0.00 179.01 177.53 1xfx h LYS 716 N -0.05 0.38 -0.62 1.92 3.64 -1.88 -3.04 116.57 116.91 1xfx h LYS 716 Ca 0.34 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1xfx h LYS 716 Cb 0.60 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 1xfx h LYS 716 CO -0.87 0.54 -0.48 0.87 -2.27 0.00 0.00 179.45 177.25 1xfx h LYS 717 N 0.16 -0.13 -0.66 1.90 1.57 -0.11 1.04 116.57 120.34 1xfx h LYS 717 Ca 0.07 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 1xfx h LYS 717 Cb 0.36 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 1xfx h LYS 717 CO 0.01 -0.09 0.19 0.00 -0.57 0.00 0.00 179.45 178.99 1xfx h ARG 718 N -0.14 0.32 0.00 3.15 3.08 -1.46 0.41 114.38 119.74 1xfx h ARG 718 Ca 0.10 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1xfx h ARG 718 Cb 0.40 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1xfx h ARG 718 CO -0.66 0.21 0.00 1.63 -1.07 0.00 0.00 179.97 180.08 1xfx n LYS 719 N -5.08 0.00 -0.56 0.04 5.02 0.52 0.14 118.16 118.23 1xfx n LYS 719 Ca 0.11 0.47 0.45 0.00 -2.02 0.00 0.00 58.31 57.32 1xfx n LYS 719 Cb 0.36 -1.42 0.76 0.00 -0.02 0.00 0.00 35.03 34.72 1xfx n LYS 719 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1xfx h ILE 720 N 0.00 0.12 0.00 -0.18 6.09 0.12 0.87 117.51 124.53 1xfx h ILE 720 Ca 0.00 -0.01 -0.06 0.00 -1.37 0.00 0.00 64.86 63.42 1xfx h ILE 720 Cb 0.00 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 37.37 1xfx h ILE 720 CO 0.00 0.00 -0.34 0.28 -3.07 0.00 0.00 178.15 175.03 1xfx h SER 721 N 0.03 0.00 -1.01 2.19 0.02 0.03 -2.87 113.55 111.94 1xfx h SER 721 Ca 0.83 -0.67 0.23 0.00 -0.84 0.00 0.00 61.79 61.35 1xfx h SER 721 Cb 3.14 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 65.57 1xfx h SER 721 CO -0.13 1.03 0.62 0.40 -1.14 0.00 0.00 176.83 177.62 1xfx h ILE 722 N -1.00 0.60 0.70 3.27 2.04 0.32 0.46 117.51 123.90 1xfx h ILE 722 Ca -0.08 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1xfx h ILE 722 Cb 0.89 -0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1xfx h ILE 722 CO -0.05 0.10 -0.34 0.15 0.00 0.00 0.00 178.15 178.02 1xfx h PHE 723 N 0.56 -0.87 -0.98 1.37 3.57 -1.01 0.52 116.94 120.10 1xfx h PHE 723 Ca 0.59 -0.02 0.30 0.00 3.53 0.00 0.00 57.97 62.38 1xfx h PHE 723 Cb 1.21 0.29 -0.15 0.00 2.79 0.00 0.00 35.95 40.09 1xfx h PHE 723 CO -0.00 -0.54 0.50 0.00 -2.23 0.00 0.00 178.31 176.03 1xfx h ARG 724 N -1.24 0.29 0.20 1.11 2.47 -1.09 0.75 114.38 116.88 1xfx h ARG 724 Ca -0.10 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 1xfx h ARG 724 Cb 0.72 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1xfx h ARG 724 CO 0.16 0.19 -0.10 0.78 0.56 0.00 0.00 179.97 181.56 1xfx h GLY 725 N 0.30 -0.28 0.64 0.04 0.00 0.16 -2.03 103.07 101.90 1xfx h GLY 725 Ca 0.70 0.11 0.06 0.00 0.00 0.00 0.00 47.33 48.20 1xfx h GLY 725 CO -0.62 -0.10 0.35 -2.22 0.00 0.00 0.00 176.54 173.94 1xfx h ILE 726 N -0.29 0.94 -0.48 2.60 2.04 0.26 -1.32 117.51 121.25 1xfx h ILE 726 Ca -0.03 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.70 1xfx h ILE 726 Cb 0.22 0.25 -0.10 0.00 -0.74 0.00 0.00 36.82 36.45 1xfx h ILE 726 CO 0.05 0.12 -0.41 1.56 0.00 0.00 0.00 178.15 179.47 1xfx h GLN 727 N 0.63 -0.26 0.56 2.37 4.20 0.07 0.15 115.11 122.84 1xfx h GLN 727 Ca 0.30 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 1xfx h GLN 727 Cb 0.21 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1xfx h GLN 727 CO -0.20 -0.17 -0.43 0.00 -0.67 0.00 0.00 178.83 177.36 1xfx h ALA 728 N 0.60 -1.02 -0.98 3.87 0.00 -0.70 -2.18 119.26 118.85 1xfx h ALA 728 Ca 0.17 -0.19 0.33 0.00 0.00 0.00 0.00 54.91 55.22 1xfx h ALA 728 Cb 0.57 0.58 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1xfx h ALA 728 CO -0.62 -1.10 0.44 -0.92 0.00 0.00 0.00 179.25 177.04 1xfx h TYR 729 N -0.97 0.68 0.34 0.00 3.20 -0.48 -1.52 116.97 118.23 1xfx h TYR 729 Ca -0.06 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1xfx h TYR 729 Cb 0.82 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1xfx h TYR 729 CO -0.17 -0.29 -0.17 -0.97 -1.64 0.00 0.00 178.16 174.92 1xfx h ASN 730 N 0.18 -0.39 0.00 -2.11 -0.73 -0.14 -1.68 115.58 110.71 1xfx h ASN 730 Ca 0.71 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.90 1xfx h ASN 730 Cb 1.67 0.10 0.00 0.00 0.27 0.00 0.00 38.32 40.36 1xfx h ASN 730 CO -0.70 -0.28 0.44 -0.33 -0.37 0.00 0.00 177.43 176.20 1xfx h GLU 731 N -0.47 0.00 0.13 6.67 4.39 -0.77 0.60 114.58 125.13 1xfx h GLU 731 Ca -0.05 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 1xfx h GLU 731 Cb 0.35 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1xfx h GLU 731 CO 0.08 0.00 -0.85 0.82 -1.16 0.00 0.00 179.01 177.90 1xfx h ILE 732 N 0.00 1.46 -0.98 3.13 1.08 -1.00 -2.41 117.51 118.79 1xfx h ILE 732 Ca 0.00 -2.51 0.02 0.00 -0.39 0.00 0.00 64.86 61.98 1xfx h ILE 732 Cb 0.88 3.14 -0.05 0.00 -3.07 0.00 0.00 36.82 37.72 1xfx h ILE 732 CO 0.00 0.70 0.65 -0.08 -0.69 0.00 0.00 178.15 178.73 1xfx h GLU 733 N -0.41 1.25 -0.05 2.37 4.57 0.10 0.15 114.58 122.57 1xfx h GLU 733 Ca -0.16 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 57.98 1xfx h GLU 733 Cb 1.62 -0.28 -0.04 0.00 -0.16 0.00 0.00 28.75 29.88 1xfx h GLU 733 CO 0.13 0.83 -0.18 -0.97 -1.18 0.00 0.00 179.01 177.64 1xfx h ASN 734 N 1.29 -0.53 1.22 1.04 -1.24 -0.84 -1.39 115.58 115.13 1xfx h ASN 734 Ca 0.37 0.08 -0.10 0.00 0.71 0.00 0.00 56.30 57.36 1xfx h ASN 734 Cb -0.09 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1xfx h ASN 734 CO -0.09 -0.23 -0.48 0.58 -1.29 0.00 0.00 177.43 175.91 1xfx h VAL 735 N -0.26 0.91 0.00 2.57 2.07 -0.95 -2.82 116.25 117.77 1xfx h VAL 735 Ca 0.07 -2.02 -0.04 0.00 0.82 0.00 0.00 66.70 65.53 1xfx h VAL 735 Cb 0.36 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1xfx h VAL 735 CO -0.20 0.47 -0.17 0.25 0.02 0.00 0.00 177.57 177.93 1xfx h LEU 736 N 0.00 0.00 -4.69 2.57 5.85 -0.45 -1.39 115.31 117.21 1xfx h LEU 736 Ca -0.00 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 58.01 1xfx h LEU 736 Cb 1.22 0.00 -0.31 0.00 0.37 0.00 0.00 40.66 41.94 1xfx h LEU 736 CO 0.06 0.17 0.59 0.29 -0.34 0.00 0.00 178.44 179.22 1xfx n LYS 737 N -3.50 2.92 0.00 1.25 4.76 -0.55 -4.95 118.16 118.08 1xfx n LYS 737 Ca -0.01 -3.71 0.00 0.00 -2.87 0.00 0.00 58.31 51.72 1xfx n LYS 737 Cb 0.33 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 1xfx n LYS 737 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xfx n SER 738 N -0.60 0.00 -0.58 4.39 2.88 -0.52 -4.94 113.62 114.26 1xfx n SER 738 Ca 0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1xfx n SER 738 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1xfx n SER 738 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xfx n LYS 739 N 0.00 3.72 -2.55 -1.46 4.81 -1.26 -4.85 118.16 116.57 1xfx n LYS 739 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1xfx n LYS 739 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1xfx n LYS 739 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xfx n GLN 740 N 0.00 3.20 -2.88 1.64 1.13 -1.26 -4.92 117.38 114.29 1xfx n GLN 740 Ca 0.00 -3.31 -0.42 0.00 -1.94 0.00 0.00 57.00 51.33 1xfx n GLN 740 Cb 0.00 -3.40 -0.04 0.00 0.11 0.00 0.00 30.24 26.90 1xfx n GLN 740 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1xfx s ILE 741 N 3.68 4.65 0.10 5.09 -4.36 -1.26 -4.96 121.20 124.15 1xfx s ILE 741 Ca 0.52 1.04 -0.14 0.00 -0.26 0.00 0.00 60.65 61.80 1xfx s ILE 741 Cb 0.04 -4.28 -0.09 0.00 1.25 0.00 0.00 42.46 39.39 1xfx s ILE 741 CO 0.05 -0.49 0.27 0.00 0.24 0.00 0.00 174.94 175.01 1xfx n ALA 742 N 6.61 -1.97 0.32 2.27 0.00 -1.26 -4.43 120.51 122.05 1xfx n ALA 742 Ca 0.05 0.23 0.21 0.00 0.00 0.00 0.00 53.44 53.93 1xfx n ALA 742 Cb 0.48 -0.83 1.11 0.00 0.00 0.00 0.00 19.45 20.21 1xfx n ALA 742 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xfx h PRO 743 N 0.53 0.00 -0.04 0.00 0.13 -1.98 -0.53 132.00 130.11 1xfx h PRO 743 Ca -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1xfx h PRO 743 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1xfx h PRO 743 CO 0.29 0.00 -0.00 1.05 -0.23 0.00 0.00 178.00 179.11 1xfx h GLU 744 N 0.00 0.07 -0.45 0.86 9.09 -2.00 -1.37 114.58 120.78 1xfx h GLU 744 Ca 0.00 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.27 1xfx h GLU 744 Cb 0.08 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.16 1xfx h GLU 744 CO 0.00 0.39 -0.18 1.88 0.05 0.00 0.00 179.01 181.15 1xfx h TYR 745 N -0.26 0.99 -0.53 2.06 -1.99 -1.74 -2.46 116.97 113.04 1xfx h TYR 745 Ca 0.01 -0.22 0.11 0.00 2.00 0.00 0.00 58.73 60.63 1xfx h TYR 745 Cb 0.37 -0.24 -0.10 0.00 2.00 0.00 0.00 36.73 38.75 1xfx h TYR 745 CO 0.04 0.98 -0.17 -0.22 -0.00 0.00 0.00 178.16 178.79 1xfx h LYS 746 N 0.77 -0.04 -0.05 4.88 3.64 -0.86 -0.00 116.57 124.90 1xfx h LYS 746 Ca 0.11 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1xfx h LYS 746 Cb 0.72 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1xfx h LYS 746 CO 0.06 -0.03 -0.00 -0.91 -2.27 0.00 0.00 179.45 176.29 1xfx h ASN 747 N -0.05 -0.02 -0.02 4.20 -0.26 -1.00 -1.93 115.58 116.50 1xfx h ASN 747 Ca 0.25 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 56.01 1xfx h ASN 747 Cb 0.43 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 1xfx h ASN 747 CO -0.57 -0.01 -0.10 0.22 -1.06 0.00 0.00 177.43 175.91 1xfx h TYR 748 N 0.01 -0.30 -1.32 1.19 3.20 -0.68 0.18 116.97 119.24 1xfx h TYR 748 Ca 0.02 0.01 0.39 0.00 3.14 0.00 0.00 58.73 62.29 1xfx h TYR 748 Cb 0.03 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.35 1xfx h TYR 748 CO -0.11 -0.10 0.92 0.74 -1.64 0.00 0.00 178.16 177.97 1xfx h PHE 749 N -0.11 0.24 -0.60 -3.82 0.04 -1.01 3.69 116.94 115.36 1xfx h PHE 749 Ca 0.01 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.72 1xfx h PHE 749 Cb 0.13 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1xfx h PHE 749 CO -0.46 -0.03 0.11 1.96 -0.60 0.00 0.00 178.31 179.29 1xfx h GLN 750 N 0.10 0.97 0.65 1.51 1.08 0.06 0.82 115.11 120.30 1xfx h GLN 750 Ca 0.69 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 57.62 1xfx h GLN 750 Cb 2.44 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 29.75 1xfx h GLN 750 CO -0.15 0.89 -0.31 -0.92 -0.95 0.00 0.00 178.83 177.39 1xfx h TYR 751 N 0.92 -0.81 -0.69 2.96 3.20 0.92 -2.98 116.97 120.49 1xfx h TYR 751 Ca 0.19 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.18 1xfx h TYR 751 Cb 0.39 0.27 -0.13 0.00 1.54 0.00 0.00 36.73 38.80 1xfx h TYR 751 CO 0.03 -0.47 -0.14 -0.07 -1.64 0.00 0.00 178.16 175.86 1xfx h LEU 752 N -1.15 -0.59 -0.55 2.82 3.38 -0.40 0.52 115.31 119.34 1xfx h LEU 752 Ca -0.09 0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.19 1xfx h LEU 752 Cb 0.70 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.75 1xfx h LEU 752 CO 0.15 -0.22 -0.28 0.11 0.09 0.00 0.00 178.44 178.29 1xfx h LYS 753 N 0.02 -0.14 -0.92 1.13 1.57 -0.79 -1.15 116.57 116.29 1xfx h LYS 753 Ca 0.34 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.24 1xfx h LYS 753 Cb 0.53 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 1xfx h LYS 753 CO -0.69 -0.09 0.55 1.49 -0.57 0.00 0.00 179.45 180.14 1xfx h GLU 754 N -0.14 0.86 0.00 3.15 4.81 -0.74 0.16 114.58 122.68 1xfx h GLU 754 Ca 0.24 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1xfx h GLU 754 Cb 0.52 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1xfx h GLU 754 CO -0.64 0.57 0.00 0.54 -0.73 0.00 0.00 179.01 178.75 1xfx n ARG 755 N -4.69 0.00 -0.30 1.92 5.12 -0.48 0.40 116.66 118.62 1xfx n ARG 755 Ca 0.17 0.57 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 1xfx n ARG 755 Cb 0.33 -1.47 0.04 0.00 -1.16 0.00 0.00 32.46 30.20 1xfx n ARG 755 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1xfx n ILE 756 N -2.11 -0.40 0.13 0.55 2.08 -0.90 0.12 119.36 118.82 1xfx n ILE 756 Ca 0.00 1.84 -0.14 0.00 0.56 0.00 0.00 62.75 65.01 1xfx n ILE 756 Cb 0.00 -2.45 -0.08 0.00 -0.75 0.00 0.00 39.64 36.35 1xfx n ILE 756 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1xfx h THR 757 N 0.00 0.00 -0.63 1.39 2.02 -0.28 0.41 112.91 115.83 1xfx h THR 757 Ca 0.29 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.60 1xfx h THR 757 Cb 0.49 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.80 1xfx h THR 757 CO -0.79 0.00 0.08 0.78 0.37 0.00 0.00 175.52 175.96 1xfx h ASN 758 N -0.69 -0.13 0.66 4.18 2.35 0.58 -0.16 115.58 122.38 1xfx h ASN 758 Ca -0.02 0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1xfx h ASN 758 Cb 0.67 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 1xfx h ASN 758 CO -0.21 -0.06 -0.47 -0.61 -1.65 0.00 0.00 177.43 174.44 1xfx h GLN 759 N 0.19 -1.04 -0.84 0.81 5.75 0.14 -0.07 115.11 120.06 1xfx h GLN 759 Ca 0.33 0.07 0.15 0.00 -0.15 0.00 0.00 58.65 59.05 1xfx h GLN 759 Cb 0.53 0.24 -0.06 0.00 1.07 0.00 0.00 27.48 29.26 1xfx h GLN 759 CO -0.48 -0.69 0.55 0.28 -2.65 0.00 0.00 178.83 175.84 1xfx h VAL 760 N -1.08 0.82 0.23 2.39 2.07 0.16 0.22 116.25 121.06 1xfx h VAL 760 Ca -0.09 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1xfx h VAL 760 Cb 0.88 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1xfx h VAL 760 CO 0.05 0.11 -0.11 -0.61 0.02 0.00 0.00 177.57 177.03 1xfx h GLN 761 N 0.58 -0.29 -1.00 1.57 5.75 -0.51 -0.99 115.11 120.22 1xfx h GLN 761 Ca 0.42 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 59.09 1xfx h GLN 761 Cb 0.77 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 29.29 1xfx h GLN 761 CO -0.17 -0.12 0.61 1.25 -2.65 0.00 0.00 178.83 177.75 1xfx h LEU 762 N -0.41 0.84 -1.35 -2.39 5.85 0.47 0.35 115.31 118.68 1xfx h LEU 762 Ca -0.03 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1xfx h LEU 762 Cb 0.31 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1xfx h LEU 762 CO 0.05 0.38 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.22 1xfx h LEU 763 N 0.87 0.00 0.10 2.25 3.38 -0.57 -2.78 115.31 118.55 1xfx h LEU 763 Ca 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.50 1xfx h LEU 763 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1xfx h LEU 763 CO -0.33 0.24 -0.05 -0.07 0.09 0.00 0.00 178.44 178.33 1xfx h LEU 764 N 0.00 -0.11 -1.73 1.67 3.38 0.93 -3.24 115.31 116.22 1xfx h LEU 764 Ca -0.00 -0.24 0.29 0.00 0.09 0.00 0.00 57.88 58.02 1xfx h LEU 764 Cb 0.64 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1xfx h LEU 764 CO 0.03 0.48 0.90 0.71 0.09 0.00 0.00 178.44 180.65 1xfx h THR 765 N -1.00 0.24 0.00 0.22 1.35 -0.88 2.59 112.91 115.44 1xfx h THR 765 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1xfx h THR 765 Cb 0.34 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.08 1xfx h THR 765 CO 0.02 0.00 0.00 0.45 -0.25 0.00 0.00 175.52 175.74 1xfx h HIS 766 N 0.00 0.00 0.00 4.73 3.86 -1.51 -3.43 115.15 118.80 1xfx h HIS 766 Ca 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 1xfx h HIS 766 Cb 2.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.74 1xfx h HIS 766 CO 0.00 0.00 0.00 0.94 0.86 0.00 0.00 177.93 179.73 1xfx n GLN 767 N -2.72 0.00 -5.06 2.45 7.27 0.87 -5.04 117.38 115.15 1xfx n GLN 767 Ca 0.01 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.76 1xfx n GLN 767 Cb 0.28 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.78 1xfx n GLN 767 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1xfx s LYS 768 N 0.00 2.84 -0.26 3.69 -0.14 -1.21 -5.08 119.74 119.58 1xfx s LYS 768 Ca 0.00 -0.80 0.13 0.00 -1.36 0.00 0.00 55.97 53.94 1xfx s LYS 768 Cb 0.00 -2.35 0.47 0.00 -1.68 0.00 0.00 37.83 34.27 1xfx s LYS 768 CO 0.00 0.35 1.17 0.45 -0.76 0.00 0.00 175.35 176.56 1xfx n SER 769 N 3.07 3.38 -0.28 2.83 2.88 -1.26 -4.42 113.62 119.82 1xfx n SER 769 Ca -0.18 -3.17 0.09 0.00 -1.33 0.00 0.00 58.87 54.29 1xfx n SER 769 Cb 0.52 -0.40 -0.04 0.00 -0.75 0.00 0.00 64.21 63.54 1xfx n SER 769 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1xfx n ASN 770 N -0.65 1.49 -4.71 -3.46 4.05 -1.26 -4.87 115.26 105.85 1xfx n ASN 770 Ca 0.28 -1.25 -0.40 0.00 0.45 0.00 0.00 54.58 53.66 1xfx n ASN 770 Cb 0.90 0.66 -0.04 0.00 1.23 0.00 0.00 39.78 42.53 1xfx n ASN 770 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1xfx s ILE 771 N -2.39 4.99 -0.13 -1.44 -1.09 -1.26 -5.06 121.20 114.81 1xfx s ILE 771 Ca 0.13 1.62 -0.02 0.00 -2.23 0.00 0.00 60.65 60.14 1xfx s ILE 771 Cb 0.15 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 1xfx s ILE 771 CO 0.59 0.20 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.84 1xfx s GLU 772 N 1.00 3.46 0.18 2.79 2.02 -1.26 -4.96 118.70 121.93 1xfx s GLU 772 Ca 0.41 -0.55 -0.15 0.00 0.02 0.00 0.00 54.97 54.70 1xfx s GLU 772 Cb -0.18 -2.82 0.17 0.00 0.10 0.00 0.00 34.13 31.40 1xfx s GLU 772 CO 0.20 0.32 1.26 0.34 0.02 0.00 0.00 175.26 177.40 1xfx n PHE 773 N 3.27 -0.01 -0.25 1.61 7.35 -1.26 -0.50 117.46 127.67 1xfx n PHE 773 Ca -0.18 1.00 -0.11 0.00 -0.76 0.00 0.00 57.45 57.40 1xfx n PHE 773 Cb 0.53 -0.78 -0.08 0.00 0.35 0.00 0.00 39.48 39.50 1xfx n PHE 773 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1xfx h LYS 774 N 0.00 -0.22 0.00 -4.13 3.64 -1.99 0.85 116.57 114.72 1xfx h LYS 774 Ca 0.27 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1xfx h LYS 774 Cb 0.47 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1xfx h LYS 774 CO -0.80 -0.14 0.00 1.28 -2.27 0.00 0.00 179.45 177.52 1xfx n LEU 775 N -5.35 0.00 -0.17 5.20 4.77 0.35 -2.70 117.00 119.10 1xfx n LEU 775 Ca -0.00 0.76 0.07 0.00 -0.03 0.00 0.00 56.01 56.81 1xfx n LEU 775 Cb 0.32 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 41.28 1xfx n LEU 775 CO -0.05 -0.26 0.37 -0.11 -1.33 0.00 0.00 177.39 176.01 1xfx n LEU 776 N -1.45 -0.07 0.24 2.23 0.00 -0.70 0.66 117.00 117.89 1xfx n LEU 776 Ca 0.00 0.82 -0.15 0.00 0.00 0.00 0.00 56.01 56.68 1xfx n LEU 776 Cb 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 43.42 43.05 1xfx n LEU 776 CO 0.00 -0.83 0.72 0.22 0.00 0.00 0.00 177.39 177.50 1xfx h TYR 777 N 0.00 -0.58 -0.76 1.96 3.20 -0.74 -3.08 116.97 116.97 1xfx h TYR 777 Ca 0.28 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.21 1xfx h TYR 777 Cb 0.57 0.20 -0.09 0.00 1.54 0.00 0.00 36.73 38.95 1xfx h TYR 777 CO -0.27 -0.35 -0.45 1.63 -1.64 0.00 0.00 178.16 177.08 1xfx n LYS 778 N -5.35 -0.34 0.00 1.82 4.76 0.21 -0.48 118.16 118.78 1xfx n LYS 778 Ca -0.11 1.36 0.00 0.00 -2.87 0.00 0.00 58.31 56.70 1xfx n LYS 778 Cb 0.26 -2.01 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1xfx n LYS 778 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1xfx n GLN 779 N -4.74 0.00 -4.04 1.97 6.02 -1.16 -4.64 117.38 110.80 1xfx n GLN 779 Ca 0.02 0.12 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 1xfx n GLN 779 Cb 0.20 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 1xfx n GLN 779 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xfx s LEU 780 N -1.97 4.07 -0.29 1.08 1.02 0.37 -4.99 118.68 117.97 1xfx s LEU 780 Ca 0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.06 1xfx s LEU 780 Cb 0.00 -2.61 0.09 0.00 0.02 0.00 0.00 46.19 43.69 1xfx s LEU 780 CO 0.00 -0.04 0.07 0.21 0.02 0.00 0.00 176.35 176.61 1xfx s ASN 781 N -3.83 3.84 -0.82 2.29 3.04 -1.26 -5.01 114.94 113.19 1xfx s ASN 781 Ca 0.33 -1.47 -0.01 0.00 0.04 0.00 0.00 52.86 51.75 1xfx s ASN 781 Cb -0.09 -0.86 0.35 0.00 -1.54 0.00 0.00 41.25 39.12 1xfx s ASN 781 CO 0.27 -0.38 1.86 0.49 -3.04 0.00 0.00 177.10 176.30 1xfx n PHE 782 N 4.86 3.03 0.00 0.43 3.01 -1.26 -4.72 117.46 122.81 1xfx n PHE 782 Ca -0.04 -2.49 0.00 0.00 1.01 0.00 0.00 57.45 55.93 1xfx n PHE 782 Cb 0.43 -1.04 0.00 0.00 -0.01 0.00 0.00 39.48 38.86 1xfx n PHE 782 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1xfx n THR 783 N -0.46 0.00 -0.07 4.37 -1.04 -1.26 -4.97 114.28 110.85 1xfx n THR 783 Ca 0.51 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.36 1xfx n THR 783 Cb 0.29 -0.12 -0.05 0.00 -1.82 0.00 0.00 70.33 68.62 1xfx n THR 783 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1xfx n GLU 784 N -0.09 0.33 -3.46 -2.82 0.28 -1.26 -4.96 120.64 108.65 1xfx n GLU 784 Ca 0.00 0.14 -0.40 0.00 -0.16 0.00 0.00 57.16 56.74 1xfx n GLU 784 Cb 0.00 -1.05 -0.10 0.00 1.43 0.00 0.00 31.44 31.72 1xfx n GLU 784 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xfx s ASN 785 N -6.35 6.13 0.11 -1.84 2.20 -1.26 -4.91 114.94 109.02 1xfx s ASN 785 Ca -0.21 -0.21 0.19 0.00 -0.94 0.00 0.00 52.86 51.69 1xfx s ASN 785 Cb 0.08 -2.17 -0.09 0.00 -2.00 0.00 0.00 41.25 37.06 1xfx s ASN 785 CO 0.27 -0.26 0.89 1.21 -2.94 0.00 0.00 177.10 176.27 1xfx n GLU 786 N 5.26 0.62 0.00 3.55 4.07 -1.26 -4.58 120.64 128.30 1xfx n GLU 786 Ca -0.11 0.17 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1xfx n GLU 786 Cb 0.50 -1.80 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 1xfx n GLU 786 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1xfx n THR 787 N -2.79 0.00 0.26 6.31 -2.24 -1.26 -2.04 114.28 112.52 1xfx n THR 787 Ca -0.06 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1xfx n THR 787 Cb 0.72 -0.50 0.53 0.00 -2.10 0.00 0.00 70.33 68.98 1xfx n THR 787 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1xfx h ASP 788 N 0.00 0.00 -0.81 3.42 2.03 -2.01 -1.41 116.42 117.64 1xfx h ASP 788 Ca 0.00 0.00 0.17 0.00 -0.73 0.00 0.00 57.03 56.47 1xfx h ASP 788 Cb 0.00 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 38.39 1xfx h ASP 788 CO 0.00 0.00 0.31 -1.13 -1.03 0.00 0.00 179.24 177.39 1xfx h ASN 789 N 0.00 0.26 -0.06 4.15 -0.73 -1.66 0.16 115.58 117.69 1xfx h ASN 789 Ca 0.07 0.13 -0.10 0.00 1.87 0.00 0.00 56.30 58.26 1xfx h ASN 789 Cb 1.32 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 40.02 1xfx h ASN 789 CO -0.00 0.05 -0.28 0.15 -0.37 0.00 0.00 177.43 176.97 1xfx h PHE 790 N 0.41 0.58 -0.38 0.67 3.57 -1.21 -0.40 116.94 120.17 1xfx h PHE 790 Ca 0.47 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 1xfx h PHE 790 Cb 0.79 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1xfx h PHE 790 CO -0.17 0.75 -0.09 0.93 -2.23 0.00 0.00 178.31 177.50 1xfx h GLU 791 N 0.45 0.66 0.82 1.11 5.08 -1.09 -2.11 114.58 119.50 1xfx h GLU 791 Ca 0.06 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1xfx h GLU 791 Cb 0.73 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xfx h GLU 791 CO 0.06 0.74 -0.46 0.28 -1.00 0.00 0.00 179.01 178.63 1xfx h VAL 792 N 0.61 0.00 -0.80 3.13 2.07 -0.01 -2.82 116.25 118.42 1xfx h VAL 792 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 1xfx h VAL 792 Cb 0.51 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 1xfx h VAL 792 CO 0.03 0.00 -0.47 0.33 0.02 0.00 0.00 177.57 177.47 1xfx n PHE 793 N -5.39 -0.35 -0.25 1.57 7.35 -0.23 -0.21 117.46 119.95 1xfx n PHE 793 Ca -0.15 1.00 -0.04 0.00 -0.76 0.00 0.00 57.45 57.50 1xfx n PHE 793 Cb 0.48 -0.56 0.01 0.00 0.35 0.00 0.00 39.48 39.76 1xfx n PHE 793 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1xfx h GLN 794 N 0.00 -0.12 -0.95 -4.13 -0.00 -1.36 0.58 115.11 109.13 1xfx h GLN 794 Ca 0.13 0.01 0.22 0.00 -0.00 0.00 0.00 58.65 59.01 1xfx h GLN 794 Cb 0.33 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.76 1xfx h GLN 794 CO -0.76 -0.08 0.62 0.87 0.00 0.00 0.00 178.83 179.49 1xfx h LYS 795 N -0.13 0.40 0.00 1.69 1.57 -0.33 0.42 116.57 120.20 1xfx h LYS 795 Ca 0.26 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 1xfx h LYS 795 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1xfx h LYS 795 CO -0.76 0.27 -0.21 0.82 -0.57 0.00 0.00 179.45 179.00 1xfx h ILE 796 N 0.42 0.96 -2.30 1.86 1.08 0.14 -3.22 117.51 116.44 1xfx h ILE 796 Ca 0.51 -0.78 -0.80 0.00 -0.39 0.00 0.00 64.86 63.39 1xfx h ILE 796 Cb 1.25 1.44 -0.28 0.00 -3.07 0.00 0.00 36.82 36.17 1xfx h ILE 796 CO -0.21 0.21 0.97 2.30 -0.69 0.00 0.00 178.15 180.72 1xfx n ILE 797 N -4.01 5.97 -1.20 -0.67 -5.35 0.15 -5.06 119.36 109.19 1xfx n ILE 797 Ca -0.02 -5.97 0.00 0.00 -0.27 0.00 0.00 62.75 56.49 1xfx n ILE 797 Cb 0.29 -1.58 0.00 0.00 -1.74 0.00 0.00 39.64 36.61 1xfx n ILE 797 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26