#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxy s ARG 2 N 0.00 0.69 -0.02 2.12 1.70 -0.31 -4.94 118.95 118.19 2uxy s ARG 2 Ca 0.00 0.29 0.05 0.00 -0.47 0.00 0.00 55.73 55.60 2uxy s ARG 2 Cb 0.00 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.69 2uxy s ARG 2 CO 0.00 -0.16 -0.18 -1.58 -1.08 0.00 0.00 175.30 172.30 2uxy s HIS 3 N -0.56 1.64 0.00 5.89 2.46 -1.26 -1.84 115.29 121.61 2uxy s HIS 3 Ca -0.07 -0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.14 2uxy s HIS 3 Cb -0.03 -1.06 0.00 0.00 -0.13 0.00 0.00 32.58 31.35 2uxy s HIS 3 CO 0.04 -0.04 0.00 0.41 -2.47 0.00 0.00 174.74 172.67 2uxy n GLY 4 N 2.68 1.65 3.97 1.59 0.00 -1.26 -5.08 105.19 108.74 2uxy n GLY 4 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 2uxy n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uxy s ASP 5 N -1.22 5.92 0.00 1.61 -1.08 -1.26 -5.04 116.67 115.60 2uxy s ASP 5 Ca 0.00 0.10 0.20 0.00 -0.52 0.00 0.00 52.55 52.33 2uxy s ASP 5 Cb 0.00 -1.45 -0.04 0.00 -1.46 0.00 0.00 42.92 39.97 2uxy s ASP 5 CO 0.00 -0.55 0.98 2.30 0.52 0.00 0.00 175.17 178.41 2uxy n ILE 6 N -1.87 0.00 -1.95 4.11 -5.35 -1.26 -4.83 119.36 108.20 2uxy n ILE 6 Ca 0.00 -0.26 -0.29 0.00 -0.27 0.00 0.00 62.75 61.93 2uxy n ILE 6 Cb 0.58 1.20 0.14 0.00 -1.74 0.00 0.00 39.64 39.82 2uxy n ILE 6 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2uxy s SER 7 N -2.34 3.79 0.15 7.28 1.04 -1.26 -1.64 113.70 120.72 2uxy s SER 7 Ca 0.15 0.46 -0.12 0.00 0.48 0.00 0.00 55.95 56.92 2uxy s SER 7 Cb 0.16 -0.72 0.01 0.00 0.10 0.00 0.00 66.02 65.57 2uxy s SER 7 CO 0.55 -2.32 0.36 -0.94 0.98 0.00 0.00 173.24 171.86 2uxy s SER 8 N -4.74 -0.08 0.45 7.02 1.04 -1.26 -4.54 113.70 111.59 2uxy s SER 8 Ca 0.68 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 56.51 2uxy s SER 8 Cb -0.07 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2uxy s SER 8 CO 0.51 -0.91 0.11 -0.94 0.98 0.00 0.00 173.24 173.00 2uxy s SER 9 N -2.90 3.21 0.56 7.02 1.04 -1.25 -4.90 113.70 116.49 2uxy s SER 9 Ca 0.11 -1.73 0.27 0.00 0.48 0.00 0.00 55.95 55.07 2uxy s SER 9 Cb 0.02 0.63 1.64 0.00 0.10 0.00 0.00 66.02 68.41 2uxy s SER 9 CO -0.04 -0.98 2.19 0.78 0.98 0.00 0.00 173.24 176.16 2uxy h ASN 10 N 1.61 0.00 1.42 7.02 2.35 -2.03 -2.14 115.58 123.81 2uxy h ASN 10 Ca -0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2uxy h ASN 10 Cb 1.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.66 2uxy h ASN 10 CO 0.58 0.04 -0.59 -0.78 -1.65 0.00 0.00 177.43 175.03 2uxy h ASP 11 N 0.00 0.00 -4.37 5.81 3.58 -1.96 -3.47 116.42 116.01 2uxy h ASP 11 Ca -0.00 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.75 2uxy h ASP 11 Cb 0.10 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 40.87 2uxy h ASP 11 CO 0.01 0.03 -0.84 0.42 -2.88 0.00 0.00 179.24 175.97 2uxy s THR 12 N -3.28 2.43 -0.26 2.25 -4.23 -0.80 -0.83 115.64 110.92 2uxy s THR 12 Ca 0.03 -0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.41 2uxy s THR 12 Cb 0.08 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 2uxy s THR 12 CO 0.74 0.58 0.46 -0.69 -0.54 0.00 0.00 174.62 175.17 2uxy s VAL 13 N -0.64 5.12 -0.36 2.29 1.01 0.03 -3.83 120.40 124.01 2uxy s VAL 13 Ca 0.10 0.76 -0.27 0.00 0.00 0.00 0.00 61.98 62.57 2uxy s VAL 13 Cb -0.10 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.52 2uxy s VAL 13 CO -0.00 0.13 0.97 -0.83 0.00 0.00 0.00 175.10 175.36 2uxy s GLY 14 N 1.53 1.55 -0.12 4.51 0.00 -1.25 -0.75 107.32 112.79 2uxy s GLY 14 Ca 0.19 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.56 2uxy s GLY 14 CO 0.09 2.09 -0.17 0.14 0.00 0.00 0.00 173.10 175.26 2uxy s VAL 15 N 3.57 2.69 -0.02 1.40 1.01 -0.40 -0.31 120.40 128.35 2uxy s VAL 15 Ca 0.40 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.65 2uxy s VAL 15 Cb -0.12 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2uxy s VAL 15 CO 0.19 0.54 -0.18 0.00 0.00 0.00 0.00 175.10 175.64 2uxy s ALA 16 N 0.38 2.53 0.08 5.51 0.00 -0.14 -1.59 121.76 128.53 2uxy s ALA 16 Ca -0.13 -1.07 0.10 0.00 0.00 0.00 0.00 51.96 50.85 2uxy s ALA 16 Cb -0.17 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2uxy s ALA 16 CO 0.06 0.56 -0.26 0.14 0.00 0.00 0.00 175.76 176.26 2uxy s VAL 17 N -0.76 2.13 -0.10 0.00 -7.23 -0.23 -0.91 120.40 113.30 2uxy s VAL 17 Ca 0.12 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2uxy s VAL 17 Cb -0.10 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 35.00 2uxy s VAL 17 CO 0.02 0.23 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.21 2uxy s VAL 18 N -0.92 1.34 -1.25 1.32 1.01 -0.87 -1.68 120.40 119.34 2uxy s VAL 18 Ca 0.12 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.46 2uxy s VAL 18 Cb -0.10 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 2uxy s VAL 18 CO 0.04 0.41 2.47 0.59 0.00 0.00 0.00 175.10 178.61 2uxy n ASN 19 N 4.19 6.34 -4.73 3.32 4.13 0.46 -4.12 115.26 124.86 2uxy n ASN 19 Ca -0.19 -2.49 -0.42 0.00 1.68 0.00 0.00 54.58 53.16 2uxy n ASN 19 Cb 0.51 -1.34 -0.03 0.00 -1.54 0.00 0.00 39.78 37.39 2uxy n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 2uxy s TYR 20 N 2.97 3.05 0.09 3.10 5.04 -1.25 -0.25 117.35 130.10 2uxy s TYR 20 Ca 0.54 0.81 -0.31 0.00 -2.44 0.00 0.00 57.07 55.67 2uxy s TYR 20 Cb 0.14 -3.87 -0.11 0.00 0.35 0.00 0.00 41.96 38.47 2uxy s TYR 20 CO -0.04 -3.06 1.86 1.17 -1.34 0.00 0.00 175.55 174.14 2uxy n LYS 21 N 3.29 2.74 -1.99 4.97 4.81 -1.26 -2.26 118.16 128.45 2uxy n LYS 21 Ca 0.11 1.00 -0.42 0.00 -0.87 0.00 0.00 58.31 58.12 2uxy n LYS 21 Cb 0.39 -2.90 -0.03 0.00 0.02 0.00 0.00 35.03 32.52 2uxy n LYS 21 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2uxy s MET 22 N 3.12 4.20 0.69 1.64 -2.45 -0.03 -4.90 119.30 121.57 2uxy s MET 22 Ca 0.84 2.23 -0.12 0.00 -1.25 0.00 0.00 55.69 57.39 2uxy s MET 22 Cb -0.50 -3.80 0.01 0.00 1.25 0.00 0.00 34.83 31.79 2uxy s MET 22 CO 0.39 -0.78 1.07 -2.14 1.05 0.00 0.00 175.02 174.62 2uxy s PRO 23 N 3.35 2.84 -0.26 4.11 0.02 -1.26 -4.74 135.00 139.06 2uxy s PRO 23 Ca 0.73 1.07 -0.01 0.00 0.02 0.00 0.00 61.00 62.81 2uxy s PRO 23 Cb -0.36 -1.97 0.08 0.00 0.02 0.00 0.00 34.50 32.27 2uxy s PRO 23 CO 0.31 -1.18 0.05 0.50 -0.33 0.00 0.00 177.00 176.35 2uxy s ARG 24 N -4.79 0.83 0.27 5.54 6.06 -1.26 -4.34 118.95 121.25 2uxy s ARG 24 Ca 0.60 -0.84 0.08 0.00 -2.50 0.00 0.00 55.73 53.07 2uxy s ARG 24 Cb -0.15 -2.12 -0.06 0.00 0.06 0.00 0.00 34.95 32.68 2uxy s ARG 24 CO 0.51 -0.81 -0.11 -0.51 -2.50 0.00 0.00 175.30 171.88 2uxy s LEU 25 N 1.67 2.56 0.00 -0.88 1.43 -1.26 -5.07 118.68 117.13 2uxy s LEU 25 Ca 0.04 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2uxy s LEU 25 Cb -0.17 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.26 2uxy s LEU 25 CO -0.17 -0.21 0.00 1.41 0.23 0.00 0.00 176.35 177.61 2uxy n HIS 26 N -0.58 0.00 -4.19 0.29 8.25 -1.26 -4.90 115.22 112.84 2uxy n HIS 26 Ca -0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.24 2uxy n HIS 26 Cb 0.62 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.62 2uxy n HIS 26 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2uxy s THR 27 N 0.00 1.07 0.32 1.59 -4.23 -1.26 -5.01 115.64 108.12 2uxy s THR 27 Ca 0.00 -1.53 -0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2uxy s THR 27 Cb 0.00 -1.28 0.26 0.00 1.34 0.00 0.00 72.50 72.82 2uxy s THR 27 CO 0.00 -0.41 1.98 0.00 -0.54 0.00 0.00 174.62 175.65 2uxy h ALA 28 N 3.82 1.46 -0.59 3.99 0.00 -1.97 -2.00 119.26 123.97 2uxy h ALA 28 Ca -0.39 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2uxy h ALA 28 Cb 1.19 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2uxy h ALA 28 CO 0.48 0.49 0.20 0.00 0.00 0.00 0.00 179.25 180.42 2uxy h ALA 29 N 1.53 0.78 -0.77 0.00 0.00 -1.99 -0.62 119.26 118.19 2uxy h ALA 29 Ca 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2uxy h ALA 29 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 2uxy h ALA 29 CO -0.06 0.43 0.35 0.93 0.00 0.00 0.00 179.25 180.90 2uxy h GLU 30 N 0.84 1.11 -0.24 0.00 5.08 -1.86 -0.64 114.58 118.87 2uxy h GLU 30 Ca 0.19 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2uxy h GLU 30 Cb 0.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2uxy h GLU 30 CO -0.01 0.87 0.11 0.28 -1.00 0.00 0.00 179.01 179.26 2uxy h VAL 31 N 1.10 1.15 -0.64 3.13 2.07 -0.92 -1.28 116.25 120.86 2uxy h VAL 31 Ca 0.26 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 2uxy h VAL 31 Cb 0.14 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2uxy h VAL 31 CO -0.03 0.15 0.21 -0.07 0.02 0.00 0.00 177.57 177.85 2uxy h LEU 32 N 0.24 0.89 -0.90 2.57 3.38 -0.88 -0.23 115.31 120.38 2uxy h LEU 32 Ca 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2uxy h LEU 32 Cb 0.15 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2uxy h LEU 32 CO -0.01 0.83 0.50 0.44 0.09 0.00 0.00 178.44 180.30 2uxy h ASP 33 N 0.93 1.12 0.15 -0.43 3.32 -0.95 -2.18 116.42 118.39 2uxy h ASP 33 Ca 0.21 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2uxy h ASP 33 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2uxy h ASP 33 CO -0.01 0.89 -0.40 -1.13 -1.72 0.00 0.00 179.24 176.87 2uxy h ASN 34 N 1.26 0.34 -0.89 6.45 -1.24 -0.55 -1.81 115.58 119.15 2uxy h ASN 34 Ca 0.32 -0.14 0.05 0.00 0.71 0.00 0.00 56.30 57.24 2uxy h ASN 34 Cb 0.01 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 38.91 2uxy h ASN 34 CO -0.05 0.71 0.56 0.00 -1.29 0.00 0.00 177.43 177.36 2uxy h ALA 35 N 1.31 1.20 -0.08 1.57 0.00 -0.63 -0.76 119.26 121.86 2uxy h ALA 35 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2uxy h ALA 35 Cb 0.83 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2uxy h ALA 35 CO 0.07 0.36 -0.39 0.00 0.00 0.00 0.00 179.25 179.29 2uxy h ARG 36 N 1.05 0.17 -0.55 0.00 3.08 -0.98 -0.77 114.38 116.38 2uxy h ARG 36 Ca 0.37 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.28 2uxy h ARG 36 Cb 0.10 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 2uxy h ARG 36 CO -0.15 0.54 0.09 0.87 -1.07 0.00 0.00 179.97 180.25 2uxy h LYS 37 N 0.15 0.92 -0.42 0.04 1.57 -0.51 -0.77 116.57 117.54 2uxy h LYS 37 Ca 0.01 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 2uxy h LYS 37 Cb 0.75 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2uxy h LYS 37 CO 0.06 0.88 0.24 0.82 -0.57 0.00 0.00 179.45 180.88 2uxy h ILE 38 N 0.81 1.15 -0.49 1.86 2.04 -0.82 -0.80 117.51 121.25 2uxy h ILE 38 Ca 0.17 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.72 2uxy h ILE 38 Cb 0.41 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 2uxy h ILE 38 CO 0.01 0.15 0.18 0.00 0.00 0.00 0.00 178.15 178.50 2uxy h ALA 39 N 1.09 0.60 -0.74 1.87 0.00 -0.89 -0.99 119.26 120.20 2uxy h ALA 39 Ca 0.15 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2uxy h ALA 39 Cb 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2uxy h ALA 39 CO -0.03 -0.20 0.26 0.93 0.00 0.00 0.00 179.25 180.21 2uxy h GLU 40 N 0.37 1.12 -0.79 0.00 4.39 -0.85 -2.53 114.58 116.28 2uxy h GLU 40 Ca 0.23 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2uxy h GLU 40 Cb 0.24 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2uxy h GLU 40 CO -0.23 0.93 0.43 1.98 -1.16 0.00 0.00 179.01 180.96 2uxy h MET 41 N 1.08 1.11 -0.25 2.33 4.05 -0.48 -1.72 114.93 121.06 2uxy h MET 41 Ca 0.24 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.56 2uxy h MET 41 Cb 0.25 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 2uxy h MET 41 CO -0.01 0.82 0.09 0.82 0.23 0.00 0.00 176.91 178.85 2uxy h ILE 42 N 1.10 0.94 -0.74 1.77 2.04 -0.84 0.47 117.51 122.25 2uxy h ILE 42 Ca 0.28 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 2uxy h ILE 42 Cb 0.04 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2uxy h ILE 42 CO -0.04 0.04 0.41 0.58 0.00 0.00 0.00 178.15 179.13 2uxy h VAL 43 N 0.20 1.22 -0.36 1.67 2.07 -1.26 -0.94 116.25 118.86 2uxy h VAL 43 Ca 0.11 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 2uxy h VAL 43 Cb 0.07 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 2uxy h VAL 43 CO -0.11 0.25 -0.01 1.23 0.02 0.00 0.00 177.57 178.95 2uxy h GLY 44 N 1.03 0.69 0.90 2.17 0.00 -1.08 -2.48 103.07 104.29 2uxy h GLY 44 Ca 0.26 -0.52 0.04 0.00 0.00 0.00 0.00 47.33 47.12 2uxy h GLY 44 CO -0.04 0.47 0.63 -0.33 0.00 0.00 0.00 176.54 177.28 2uxy h MET 45 N 0.46 1.17 -0.19 4.80 2.07 -0.64 -1.78 114.93 120.82 2uxy h MET 45 Ca 0.10 -0.07 -0.08 0.00 -2.07 0.00 0.00 59.70 57.58 2uxy h MET 45 Cb 0.47 -0.26 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 2uxy h MET 45 CO 0.02 0.77 -0.22 -0.22 1.07 0.00 0.00 176.91 178.33 2uxy h LYS 46 N 1.20 0.35 -0.88 1.72 1.63 -1.05 0.48 116.57 120.02 2uxy h LYS 46 Ca 0.39 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 60.07 2uxy h LYS 46 Cb 0.03 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 2uxy h LYS 46 CO -0.13 0.56 0.54 1.96 -3.45 0.00 0.00 179.45 178.94 2uxy h GLN 47 N 0.31 1.19 0.00 1.90 4.20 -0.87 -3.09 115.11 118.75 2uxy h GLN 47 Ca 0.05 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 2uxy h GLN 47 Cb 0.57 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2uxy h GLN 47 CO 0.04 0.82 -0.95 0.78 -0.67 0.00 0.00 178.83 178.85 2uxy h GLY 48 N 1.22 0.00 -6.71 3.46 0.00 -0.84 -3.40 103.07 96.80 2uxy h GLY 48 Ca 0.32 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 47.04 2uxy h GLY 48 CO -0.06 0.00 -0.62 1.04 0.00 0.00 0.00 176.54 176.90 2uxy n LEU 49 N -3.13 2.97 0.29 3.11 4.77 0.09 -4.96 117.00 120.13 2uxy n LEU 49 Ca -0.03 -5.22 0.14 0.00 -0.03 0.00 0.00 56.01 50.87 2uxy n LEU 49 Cb 0.82 -0.60 0.86 0.00 -2.33 0.00 0.00 43.42 42.18 2uxy n LEU 49 CO 0.43 1.87 1.09 1.55 -1.33 0.00 0.00 177.39 181.00 2uxy h PRO 50 N 4.95 0.00 0.00 3.23 0.13 -1.59 -0.55 132.00 138.16 2uxy h PRO 50 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2uxy h PRO 50 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2uxy h PRO 50 CO 0.73 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 2uxy n GLY 51 N -1.17 -1.07 3.68 1.56 0.00 -0.65 -4.86 105.19 102.67 2uxy n GLY 51 Ca -0.03 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2uxy n GLY 51 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2uxy s MET 52 N -2.49 4.21 -0.10 1.61 0.00 -0.22 -3.75 119.30 118.56 2uxy s MET 52 Ca 0.26 2.21 0.14 0.00 0.00 0.00 0.00 55.69 58.30 2uxy s MET 52 Cb 0.17 -3.76 -0.20 0.00 0.00 0.00 0.00 34.83 31.04 2uxy s MET 52 CO 0.37 -0.75 0.15 -0.25 0.00 0.00 0.00 175.02 174.54 2uxy n ASP 53 N 6.20 1.42 -3.76 1.11 10.43 0.58 -4.84 116.55 127.69 2uxy n ASP 53 Ca 0.16 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.37 2uxy n ASP 53 Cb 0.42 1.16 -0.16 0.00 1.84 0.00 0.00 41.12 44.38 2uxy n ASP 53 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2uxy s LEU 54 N -4.72 0.94 -0.04 0.64 2.96 -0.70 -0.95 118.68 116.80 2uxy s LEU 54 Ca -0.07 0.12 0.07 0.00 -0.22 0.00 0.00 54.13 54.03 2uxy s LEU 54 Cb 0.06 0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.79 2uxy s LEU 54 CO 0.61 -0.14 -0.25 0.54 -1.32 0.00 0.00 176.35 175.80 2uxy s VAL 55 N 1.14 1.97 -0.14 1.68 0.11 -0.35 -0.97 120.40 123.84 2uxy s VAL 55 Ca -0.09 -1.05 0.01 0.00 -2.93 0.00 0.00 61.98 57.93 2uxy s VAL 55 Cb -0.13 -1.65 0.02 0.00 -1.53 0.00 0.00 36.38 33.09 2uxy s VAL 55 CO -0.04 0.55 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.42 2uxy s VAL 56 N -0.38 1.78 0.09 2.04 1.01 -0.08 -1.10 120.40 123.76 2uxy s VAL 56 Ca 0.04 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.26 2uxy s VAL 56 Cb -0.11 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 2uxy s VAL 56 CO 0.01 0.49 0.12 -0.36 0.00 0.00 0.00 175.10 175.36 2uxy s PHE 57 N 1.14 3.25 0.80 5.22 0.08 -0.74 -2.06 117.98 125.67 2uxy s PHE 57 Ca -0.01 0.09 -0.11 0.00 0.12 0.00 0.00 56.93 57.02 2uxy s PHE 57 Cb -0.14 -1.63 0.07 0.00 -0.57 0.00 0.00 43.02 40.76 2uxy s PHE 57 CO -0.06 0.53 1.10 -2.14 -0.10 0.00 0.00 175.22 174.54 2uxy s PRO 58 N -2.57 2.01 0.33 0.24 0.02 -1.26 -4.69 135.00 129.08 2uxy s PRO 58 Ca 0.31 1.17 -0.28 0.00 0.02 0.00 0.00 61.00 62.22 2uxy s PRO 58 Cb -0.12 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.41 2uxy s PRO 58 CO 0.23 -1.82 1.23 -1.91 -0.33 0.00 0.00 177.00 174.41 2uxy n GLU 59 N -3.64 1.97 -0.92 5.54 2.13 -1.20 -2.05 120.64 122.48 2uxy n GLU 59 Ca 0.09 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.60 2uxy n GLU 59 Cb 0.53 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 30.01 2uxy n GLU 59 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2uxy n TYR 60 N 0.30 0.00 0.32 4.31 4.01 -1.26 -3.83 117.16 121.01 2uxy n TYR 60 Ca 0.06 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.95 2uxy n TYR 60 Cb 0.35 -0.48 0.64 0.00 -0.31 0.00 0.00 39.34 39.54 2uxy n TYR 60 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2uxy h SER 61 N 0.00 0.00 0.00 7.72 4.64 -1.68 0.17 113.55 124.40 2uxy h SER 61 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2uxy h SER 61 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2uxy h SER 61 CO 0.00 0.00 -0.37 0.25 -0.87 0.00 0.00 176.83 175.84 2uxy h LEU 62 N 0.00 0.00 0.00 5.97 5.85 -1.84 -3.42 115.31 121.87 2uxy h LEU 62 Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2uxy h LEU 62 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2uxy h LEU 62 CO 0.00 0.72 -0.91 0.00 -0.34 0.00 0.00 178.44 177.91 2uxy n GLN 63 N -4.66 0.22 -0.26 1.25 3.00 -1.23 -4.77 117.38 110.92 2uxy n GLN 63 Ca -0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.96 2uxy n GLN 63 Cb 0.21 -1.58 -0.01 0.00 0.00 0.00 0.00 30.24 28.87 2uxy n GLN 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2uxy n GLY 64 N 1.40 -1.31 3.66 1.08 0.00 0.61 -4.26 105.19 106.38 2uxy n GLY 64 Ca 0.03 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2uxy n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uxy s ILE 65 N -0.44 4.96 -1.12 -0.61 1.01 -1.26 -4.84 121.20 118.90 2uxy s ILE 65 Ca 0.00 1.37 -0.15 0.00 0.00 0.00 0.00 60.65 61.87 2uxy s ILE 65 Cb 0.00 -4.02 0.16 0.00 0.01 0.00 0.00 42.46 38.61 2uxy s ILE 65 CO 0.00 0.08 1.33 -0.04 0.00 0.00 0.00 174.94 176.31 2uxy s MET 66 N 1.99 3.94 0.43 2.79 -1.94 -1.26 -4.80 119.30 120.46 2uxy s MET 66 Ca 0.33 -2.36 0.10 0.00 -1.71 0.00 0.00 55.69 52.05 2uxy s MET 66 Cb -0.16 -5.00 0.95 0.00 2.01 0.00 0.00 34.83 32.62 2uxy s MET 66 CO 0.11 -1.75 2.04 1.88 -0.01 0.00 0.00 175.02 177.29 2uxy h TYR 67 N 7.64 0.29 -3.18 -0.03 0.05 -1.94 -3.39 116.97 116.42 2uxy h TYR 67 Ca 0.26 -0.01 -0.57 0.00 0.05 0.00 0.00 58.73 58.47 2uxy h TYR 67 Cb 0.92 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.52 2uxy h TYR 67 CO 1.11 0.25 0.66 0.34 -1.05 0.00 0.00 178.16 179.48 2uxy s ASP 68 N -6.85 7.18 0.22 3.88 2.15 -1.26 -4.95 116.67 117.04 2uxy s ASP 68 Ca -0.06 1.49 -0.08 0.00 0.43 0.00 0.00 52.55 54.32 2uxy s ASP 68 Cb 0.17 -2.55 0.26 0.00 -0.30 0.00 0.00 42.92 40.49 2uxy s ASP 68 CO 0.72 -0.54 1.84 -0.65 -0.17 0.00 0.00 175.17 176.36 2uxy h PRO 69 N 7.26 0.84 -0.28 4.34 0.11 -2.00 -0.03 132.00 142.24 2uxy h PRO 69 Ca -0.26 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2uxy h PRO 69 Cb 1.11 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2uxy h PRO 69 CO 0.91 0.55 0.18 0.00 -0.21 0.00 0.00 178.00 179.43 2uxy h ALA 70 N 1.35 0.36 -0.48 -0.75 0.00 -1.94 -1.78 119.26 116.02 2uxy h ALA 70 Ca 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2uxy h ALA 70 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2uxy h ALA 70 CO -0.15 -0.16 0.10 0.93 0.00 0.00 0.00 179.25 179.98 2uxy h GLU 71 N 0.38 0.73 -0.49 0.00 5.08 -1.78 0.81 114.58 119.30 2uxy h GLU 71 Ca 0.10 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2uxy h GLU 71 Cb -0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 2uxy h GLU 71 CO -0.02 0.67 0.28 1.98 -1.00 0.00 0.00 179.01 180.92 2uxy h MET 72 N 0.70 0.54 -0.25 2.33 4.05 -0.71 -1.38 114.93 120.21 2uxy h MET 72 Ca 0.16 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.42 2uxy h MET 72 Cb 0.28 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 2uxy h MET 72 CO -0.00 0.35 -0.37 0.52 0.23 0.00 0.00 176.91 177.64 2uxy h MET 73 N 0.55 0.56 -0.00 0.39 2.86 -0.58 -2.83 114.93 115.88 2uxy h MET 73 Ca 0.20 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2uxy h MET 73 Cb 0.05 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2uxy h MET 73 CO -0.10 0.84 -0.13 0.39 1.06 0.00 0.00 176.91 178.97 2uxy n GLU 74 N -4.05 0.26 0.00 1.72 1.02 0.21 -3.63 120.64 116.17 2uxy n GLU 74 Ca -0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2uxy n GLU 74 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2uxy n GLU 74 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2uxy n THR 75 N -1.31 0.24 -1.98 2.62 -2.24 -0.56 -4.92 114.28 106.12 2uxy n THR 75 Ca 0.10 -0.59 -0.40 0.00 -2.27 0.00 0.00 64.05 60.90 2uxy n THR 75 Cb 0.31 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2uxy n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uxy s ALA 76 N -0.24 3.27 0.24 6.98 0.00 -1.07 -4.69 121.76 126.26 2uxy s ALA 76 Ca 0.00 1.30 0.07 0.00 0.00 0.00 0.00 51.96 53.33 2uxy s ALA 76 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2uxy s ALA 76 CO 0.00 -0.92 0.17 0.14 0.00 0.00 0.00 175.76 175.15 2uxy s VAL 77 N -1.24 4.33 0.26 0.00 -7.23 -0.10 -4.67 120.40 111.77 2uxy s VAL 77 Ca 0.58 -1.43 -0.16 0.00 -1.81 0.00 0.00 61.98 59.16 2uxy s VAL 77 Cb -0.40 -3.32 -0.08 0.00 0.56 0.00 0.00 36.38 33.13 2uxy s VAL 77 CO 0.51 -0.32 0.70 0.00 -0.31 0.00 0.00 175.10 175.68 2uxy s ALA 78 N -2.11 3.39 -0.14 1.32 0.00 -1.26 -0.76 121.76 122.21 2uxy s ALA 78 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.34 2uxy s ALA 78 Cb -0.08 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2uxy s ALA 78 CO 0.24 0.35 -0.12 0.42 0.00 0.00 0.00 175.76 176.65 2uxy s ILE 79 N -1.76 1.39 0.75 0.00 1.01 -1.26 -2.68 121.20 118.66 2uxy s ILE 79 Ca 0.48 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 2uxy s ILE 79 Cb -0.13 -1.33 0.05 0.00 0.01 0.00 0.00 42.46 41.06 2uxy s ILE 79 CO 0.19 0.43 1.10 -2.16 0.00 0.00 0.00 174.94 174.50 2uxy s PRO 80 N 1.53 2.31 0.00 2.79 0.04 -1.26 -5.15 135.00 135.26 2uxy s PRO 80 Ca 0.04 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.34 2uxy s PRO 80 Cb -0.13 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2uxy s PRO 80 CO -0.10 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.74 2uxy n GLY 81 N -0.95 1.90 0.31 0.56 0.00 -1.09 -5.01 105.19 100.91 2uxy n GLY 81 Ca 0.10 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2uxy n GLY 81 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2uxy h GLU 82 N 0.00 0.90 -0.06 1.61 4.81 -2.00 -0.01 114.58 119.83 2uxy h GLU 82 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 2uxy h GLU 82 Cb 0.00 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2uxy h GLU 82 CO 0.00 0.59 -0.04 0.93 -0.73 0.00 0.00 179.01 179.76 2uxy h GLU 83 N 0.92 0.14 -0.06 1.92 3.07 -1.96 -2.76 114.58 115.85 2uxy h GLU 83 Ca 0.36 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 59.10 2uxy h GLU 83 Cb 0.17 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2uxy h GLU 83 CO -0.17 0.54 -0.19 1.79 -1.40 0.00 0.00 179.01 179.58 2uxy h THR 84 N -0.26 1.17 0.00 1.13 1.35 -1.79 -2.13 112.91 112.38 2uxy h THR 84 Ca 0.01 -0.78 -0.08 0.00 -0.55 0.00 0.00 66.41 65.02 2uxy h THR 84 Cb 0.51 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 2uxy h THR 84 CO 0.01 0.23 -0.37 -0.33 -0.25 0.00 0.00 175.52 174.81 2uxy h GLU 85 N 0.09 0.00 -0.55 4.72 5.08 -0.85 0.15 114.58 123.22 2uxy h GLU 85 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2uxy h GLU 85 Cb 0.39 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2uxy h GLU 85 CO 0.03 0.37 0.24 0.82 -1.00 0.00 0.00 179.01 179.47 2uxy h ILE 86 N 0.00 1.21 -0.50 3.13 2.04 -1.10 -0.86 117.51 121.43 2uxy h ILE 86 Ca -0.00 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2uxy h ILE 86 Cb 0.66 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2uxy h ILE 86 CO 0.05 0.24 0.18 -0.26 0.00 0.00 0.00 178.15 178.36 2uxy h PHE 87 N 0.74 0.78 -0.71 1.37 0.04 -1.14 -2.07 116.94 115.96 2uxy h PHE 87 Ca 0.19 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.91 2uxy h PHE 87 Cb 0.15 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 2uxy h PHE 87 CO 0.00 0.67 0.45 0.77 -0.60 0.00 0.00 178.31 179.60 2uxy h SER 88 N 0.67 0.75 -0.44 2.17 0.02 -0.44 -0.89 113.55 115.40 2uxy h SER 88 Ca 0.16 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2uxy h SER 88 Cb 0.23 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2uxy h SER 88 CO -0.01 0.53 0.09 0.03 -1.14 0.00 0.00 176.83 176.32 2uxy h ARG 89 N 0.89 0.79 -0.45 3.45 3.08 -0.96 -1.53 114.38 119.64 2uxy h ARG 89 Ca 0.28 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 60.03 2uxy h ARG 89 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2uxy h ARG 89 CO -0.09 0.74 -0.20 0.00 -1.07 0.00 0.00 179.97 179.34 2uxy h ALA 90 N 1.34 0.64 -0.62 0.04 0.00 -0.72 -0.08 119.26 119.86 2uxy h ALA 90 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2uxy h ALA 90 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2uxy h ALA 90 CO 0.00 0.61 0.39 0.00 0.00 0.00 0.00 179.25 180.25 2uxy h ARG 92 N 0.84 0.88 -0.09 0.00 3.08 -1.11 0.15 114.38 118.13 2uxy h ARG 92 Ca 0.23 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2uxy h ARG 92 Cb -0.05 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2uxy h ARG 92 CO -0.04 0.76 0.03 -0.22 -1.07 0.00 0.00 179.97 179.43 2uxy h LYS 93 N 0.81 0.14 0.00 0.04 3.64 -0.56 -2.82 116.57 117.82 2uxy h LYS 93 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2uxy h LYS 93 Cb 0.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2uxy h LYS 93 CO -0.01 0.29 -0.11 0.00 -2.27 0.00 0.00 179.45 177.35 2uxy n ALA 94 N -2.22 2.45 -3.47 5.00 0.00 -0.27 -4.95 120.51 117.05 2uxy n ALA 94 Ca -0.06 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.11 2uxy n ALA 94 Cb 0.13 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.24 2uxy n ALA 94 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2uxy n ASN 95 N -1.96 -2.61 -4.25 0.00 5.15 0.44 -5.03 115.26 106.99 2uxy n ASN 95 Ca 0.06 -0.69 -0.14 0.00 -0.60 0.00 0.00 54.58 53.21 2uxy n ASN 95 Cb 0.40 -4.87 -0.10 0.00 -0.53 0.00 0.00 39.78 34.68 2uxy n ASN 95 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2uxy s VAL 96 N -3.43 0.92 0.24 3.44 -7.23 -0.71 -4.93 120.40 108.71 2uxy s VAL 96 Ca 0.08 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.18 2uxy s VAL 96 Cb -0.01 -2.01 -0.06 0.00 0.56 0.00 0.00 36.38 34.86 2uxy s VAL 96 CO 0.75 -0.60 0.52 0.26 -0.31 0.00 0.00 175.10 175.72 2uxy s TRP 97 N -3.49 3.46 0.03 2.82 0.52 -0.13 -3.36 118.94 118.79 2uxy s TRP 97 Ca 0.21 0.68 -0.04 0.00 0.02 0.00 0.00 56.10 56.96 2uxy s TRP 97 Cb 0.05 -2.12 -0.01 0.00 -1.15 0.00 0.00 33.47 30.23 2uxy s TRP 97 CO 0.02 0.25 0.07 0.20 0.02 0.00 0.00 176.95 177.51 2uxy s GLY 98 N -2.82 0.18 -0.14 0.98 0.00 -0.09 -1.21 107.32 104.22 2uxy s GLY 98 Ca 0.44 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.65 2uxy s GLY 98 CO 0.27 -0.64 -0.18 0.14 0.00 0.00 0.00 173.10 172.68 2uxy s VAL 99 N -2.19 2.44 0.09 1.40 1.01 -0.26 -0.59 120.40 122.30 2uxy s VAL 99 Ca -0.09 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.09 2uxy s VAL 99 Cb -0.04 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2uxy s VAL 99 CO -0.03 0.53 -0.13 -0.36 0.00 0.00 0.00 175.10 175.12 2uxy s PHE 100 N 0.71 1.19 -0.15 5.22 0.08 -0.52 -1.80 117.98 122.71 2uxy s PHE 100 Ca -0.08 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.41 2uxy s PHE 100 Cb -0.16 -0.65 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 2uxy s PHE 100 CO 0.01 0.06 -0.10 0.45 -0.10 0.00 0.00 175.22 175.54 2uxy s SER 101 N -2.12 4.23 -0.28 1.36 0.15 -1.26 -1.02 113.70 114.75 2uxy s SER 101 Ca 0.03 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 2uxy s SER 101 Cb -0.07 -1.67 0.04 0.00 -1.71 0.00 0.00 66.02 62.62 2uxy s SER 101 CO 0.02 0.14 -0.02 -0.76 1.20 0.00 0.00 173.24 173.81 2uxy s LEU 102 N 0.54 3.69 -0.43 3.45 2.01 0.01 -4.15 118.68 123.79 2uxy s LEU 102 Ca -0.07 -1.17 0.02 0.00 0.01 0.00 0.00 54.13 52.93 2uxy s LEU 102 Cb -0.15 -1.69 0.15 0.00 0.01 0.00 0.00 46.19 44.51 2uxy s LEU 102 CO 0.03 -0.22 0.29 0.42 1.01 0.00 0.00 176.35 177.88 2uxy s THR 103 N 1.26 0.86 0.43 5.49 -4.23 -1.26 -1.37 115.64 116.83 2uxy s THR 103 Ca -0.04 -2.52 0.08 0.00 -1.18 0.00 0.00 61.69 58.02 2uxy s THR 103 Cb -0.19 -1.60 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 2uxy s THR 103 CO -0.02 -1.04 0.37 -0.83 -0.54 0.00 0.00 174.62 172.56 2uxy s GLY 104 N 0.28 2.17 -0.25 3.99 0.00 -1.26 -4.70 107.32 107.55 2uxy s GLY 104 Ca 0.23 -1.86 -0.11 0.00 0.00 0.00 0.00 44.72 42.98 2uxy s GLY 104 CO -0.08 -1.74 0.16 1.85 0.00 0.00 0.00 173.10 173.30 2uxy s GLU 105 N -4.14 4.05 0.12 2.90 2.12 0.19 -0.92 118.70 123.03 2uxy s GLU 105 Ca 0.47 -0.28 -0.35 0.00 0.36 0.00 0.00 54.97 55.17 2uxy s GLU 105 Cb -0.03 -3.55 -0.17 0.00 0.26 0.00 0.00 34.13 30.64 2uxy s GLU 105 CO 0.27 0.03 1.10 0.54 -0.54 0.00 0.00 175.26 176.65 2uxy n ARG 106 N 4.40 0.76 -1.25 4.30 1.74 0.06 -0.65 116.66 126.03 2uxy n ARG 106 Ca -0.15 0.27 -0.32 0.00 -0.77 0.00 0.00 57.85 56.88 2uxy n ARG 106 Cb 0.52 -1.74 0.10 0.00 -1.02 0.00 0.00 32.46 30.33 2uxy n ARG 106 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2uxy s HIS 107 N -0.13 2.25 0.46 -1.55 5.65 -1.26 -4.72 115.29 115.99 2uxy s HIS 107 Ca 0.78 1.62 0.20 0.00 0.25 0.00 0.00 55.06 57.92 2uxy s HIS 107 Cb -0.97 -3.22 1.19 0.00 -1.18 0.00 0.00 32.58 28.39 2uxy s HIS 107 CO 0.53 -2.17 1.91 0.93 -0.65 0.00 0.00 174.74 175.29 2uxy h GLU 108 N -0.94 0.27 -0.61 2.88 3.07 -1.93 -0.69 114.58 116.63 2uxy h GLU 108 Ca -0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 2uxy h GLU 108 Cb 1.25 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2uxy h GLU 108 CO 0.49 0.18 0.00 0.39 -1.40 0.00 0.00 179.01 178.67 2uxy n GLU 109 N -4.44 4.24 -1.57 2.33 1.02 -1.26 -5.03 120.64 115.93 2uxy n GLU 109 Ca 0.15 -3.02 -0.48 0.00 -0.02 0.00 0.00 57.16 53.80 2uxy n GLU 109 Cb 0.65 -2.06 -0.03 0.00 -0.02 0.00 0.00 31.44 29.97 2uxy n GLU 109 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2uxy n HIS 110 N 0.88 1.20 -0.96 -0.32 -0.00 -0.27 -0.77 115.22 114.99 2uxy n HIS 110 Ca 0.27 0.70 -0.09 0.00 0.46 0.00 0.00 57.72 59.06 2uxy n HIS 110 Cb 1.03 -2.26 0.27 0.00 -0.12 0.00 0.00 29.99 28.91 2uxy n HIS 110 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2uxy n PRO 111 N 1.50 3.37 0.19 1.57 -0.04 -1.26 -4.96 135.00 135.38 2uxy n PRO 111 Ca 0.14 -2.90 0.07 0.00 -0.04 0.00 0.00 63.50 60.76 2uxy n PRO 111 Cb 0.26 -2.17 0.34 0.00 -0.04 0.00 0.00 33.50 31.89 2uxy n PRO 111 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2uxy h ARG 112 N 2.28 0.00 -5.06 0.54 2.43 -1.35 -3.45 114.38 109.77 2uxy h ARG 112 Ca 0.32 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.16 2uxy h ARG 112 Cb 2.36 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 31.76 2uxy h ARG 112 CO 0.77 0.34 -0.72 0.15 -1.51 0.00 0.00 179.97 179.00 2uxy s LYS 113 N -3.55 0.98 0.62 0.20 -0.14 -1.26 -5.11 119.74 111.49 2uxy s LYS 113 Ca 0.01 -1.34 -0.18 0.00 -1.36 0.00 0.00 55.97 53.10 2uxy s LYS 113 Cb 0.10 -0.61 -0.02 0.00 -1.68 0.00 0.00 37.83 35.63 2uxy s LYS 113 CO 0.68 0.08 1.20 0.00 -0.76 0.00 0.00 175.35 176.55 2uxy s ALA 114 N -2.95 2.46 0.80 5.17 0.00 -1.26 -4.59 121.76 121.39 2uxy s ALA 114 Ca 0.12 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.94 2uxy s ALA 114 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.74 2uxy s ALA 114 CO 0.00 -1.31 1.09 -2.14 0.00 0.00 0.00 175.76 173.40 2uxy s PRO 115 N -3.49 2.08 0.60 0.00 0.02 -1.26 -4.23 135.00 128.71 2uxy s PRO 115 Ca 0.76 1.00 -0.08 0.00 0.02 0.00 0.00 61.00 62.70 2uxy s PRO 115 Cb -0.30 -1.89 -0.01 0.00 0.02 0.00 0.00 34.50 32.32 2uxy s PRO 115 CO 0.36 -1.72 0.95 0.71 -0.33 0.00 0.00 177.00 176.97 2uxy s TYR 116 N -2.96 3.45 -0.32 6.54 2.02 0.17 -0.47 117.35 125.78 2uxy s TYR 116 Ca 0.61 0.95 -0.08 0.00 -0.37 0.00 0.00 57.07 58.18 2uxy s TYR 116 Cb -0.17 -2.70 0.01 0.00 -0.40 0.00 0.00 41.96 38.71 2uxy s TYR 116 CO 0.56 -0.73 0.13 1.21 -1.57 0.00 0.00 175.55 175.14 2uxy s ASN 117 N -4.23 5.38 0.05 2.29 3.84 -1.26 -0.64 114.94 120.36 2uxy s ASN 117 Ca 0.54 -0.75 0.06 0.00 0.21 0.00 0.00 52.86 52.91 2uxy s ASN 117 Cb -0.11 -1.94 -0.02 0.00 -0.55 0.00 0.00 41.25 38.63 2uxy s ASN 117 CO 0.49 -0.24 -0.16 -0.89 -2.79 0.00 0.00 177.10 173.51 2uxy s THR 118 N 1.53 1.26 0.05 -5.21 2.01 -0.47 -0.54 115.64 114.27 2uxy s THR 118 Ca 0.03 -1.14 0.09 0.00 0.31 0.00 0.00 61.69 60.98 2uxy s THR 118 Cb -0.18 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 2uxy s THR 118 CO 0.04 -0.01 -0.24 -0.76 -0.69 0.00 0.00 174.62 172.96 2uxy s LEU 119 N -1.32 2.30 0.03 4.42 1.43 0.22 -0.81 118.68 124.95 2uxy s LEU 119 Ca 0.02 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 2uxy s LEU 119 Cb -0.09 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2uxy s LEU 119 CO 0.02 0.25 -0.22 0.68 0.23 0.00 0.00 176.35 177.32 2uxy s VAL 120 N -0.85 1.73 -0.28 -1.59 -7.23 -0.19 -0.88 120.40 111.11 2uxy s VAL 120 Ca 0.13 -1.17 -0.10 0.00 -1.81 0.00 0.00 61.98 59.02 2uxy s VAL 120 Cb -0.10 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 2uxy s VAL 120 CO 0.03 0.27 0.17 -0.22 -0.31 0.00 0.00 175.10 175.04 2uxy s LEU 121 N -1.07 3.94 -0.12 1.32 2.96 -0.42 -1.44 118.68 123.87 2uxy s LEU 121 Ca 0.08 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 2uxy s LEU 121 Cb -0.09 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2uxy s LEU 121 CO 0.01 -0.07 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.23 2uxy s ILE 122 N 1.72 3.21 0.75 6.68 1.01 0.24 -0.33 121.20 134.48 2uxy s ILE 122 Ca 0.07 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 2uxy s ILE 122 Cb -0.16 -2.34 0.16 0.00 0.01 0.00 0.00 42.46 40.13 2uxy s ILE 122 CO 0.09 0.54 1.02 -0.90 0.00 0.00 0.00 174.94 175.69 2uxy n ASP 123 N 3.25 0.68 0.00 3.58 5.68 -0.34 -0.92 116.55 128.48 2uxy n ASP 123 Ca -0.18 -1.73 0.13 0.00 -0.50 0.00 0.00 54.79 52.50 2uxy n ASP 123 Cb 0.53 -0.72 0.71 0.00 -1.14 0.00 0.00 41.12 40.49 2uxy n ASP 123 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2uxy n ASN 124 N -3.31 0.00 -1.08 -1.12 6.94 -1.21 -0.76 115.26 114.71 2uxy n ASN 124 Ca 0.15 -0.55 0.10 0.00 -0.02 0.00 0.00 54.58 54.26 2uxy n ASN 124 Cb 0.52 -0.10 0.22 0.00 -2.36 0.00 0.00 39.78 38.06 2uxy n ASN 124 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2uxy n ASN 125 N -1.10 3.42 0.00 0.53 3.02 -1.26 -3.87 115.26 116.00 2uxy n ASN 125 Ca 0.17 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.76 2uxy n ASN 125 Cb 0.12 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2uxy n ASN 125 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uxy n GLY 126 N 1.33 0.54 3.80 7.41 0.00 0.06 -4.84 105.19 113.49 2uxy n GLY 126 Ca 0.19 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2uxy n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uxy s GLU 127 N -0.12 4.38 -0.26 1.61 0.41 -1.26 -4.72 118.70 118.74 2uxy s GLU 127 Ca 0.00 0.95 -0.29 0.00 -0.41 0.00 0.00 54.97 55.22 2uxy s GLU 127 Cb 0.00 -3.18 0.01 0.00 -1.78 0.00 0.00 34.13 29.17 2uxy s GLU 127 CO 0.00 0.56 1.11 0.42 -0.49 0.00 0.00 175.26 176.87 2uxy s ILE 128 N -1.21 4.50 -0.18 -1.63 1.01 -1.26 -1.20 121.20 121.24 2uxy s ILE 128 Ca 0.35 1.78 0.17 0.00 0.00 0.00 0.00 60.65 62.95 2uxy s ILE 128 Cb -0.21 -4.28 -0.24 0.00 0.01 0.00 0.00 42.46 37.75 2uxy s ILE 128 CO 0.23 -0.30 0.09 0.52 0.00 0.00 0.00 174.94 175.48 2uxy n VAL 129 N 5.60 1.22 -3.79 2.92 0.31 0.55 -4.96 118.33 120.17 2uxy n VAL 129 Ca 0.13 -0.78 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 2uxy n VAL 129 Cb 0.46 -0.46 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 2uxy n VAL 129 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2uxy s GLN 130 N -2.52 0.25 -0.18 5.55 0.74 -1.19 -4.95 119.66 117.37 2uxy s GLN 130 Ca -0.09 0.34 -0.01 0.00 0.05 0.00 0.00 55.36 55.64 2uxy s GLN 130 Cb 0.06 0.09 0.05 0.00 1.10 0.00 0.00 33.01 34.31 2uxy s GLN 130 CO 0.78 -0.05 -0.02 0.21 -0.55 0.00 0.00 175.29 175.66 2uxy s LYS 131 N 0.26 1.16 -0.09 1.67 2.20 -1.26 -1.29 119.74 122.38 2uxy s LYS 131 Ca -0.01 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 2uxy s LYS 131 Cb -0.03 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 34.19 2uxy s LYS 131 CO -0.01 -0.52 -0.15 -0.47 -0.36 0.00 0.00 175.35 173.84 2uxy s TYR 132 N 1.68 2.72 -0.18 4.03 5.04 -0.06 -4.98 117.35 125.61 2uxy s TYR 132 Ca -0.01 -0.50 -0.03 0.00 -2.44 0.00 0.00 57.07 54.09 2uxy s TYR 132 Cb -0.16 -1.74 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 2uxy s TYR 132 CO -0.07 -0.08 -0.05 1.03 -1.34 0.00 0.00 175.55 175.04 2uxy s ARG 133 N -0.08 3.49 -0.24 4.97 0.52 -1.26 -0.61 118.95 125.74 2uxy s ARG 133 Ca -0.03 -0.59 -0.38 0.00 -0.52 0.00 0.00 55.73 54.21 2uxy s ARG 133 Cb -0.14 -2.93 -0.14 0.00 0.52 0.00 0.00 34.95 32.26 2uxy s ARG 133 CO 0.04 0.02 1.84 1.17 0.02 0.00 0.00 175.30 178.39 2uxy n LYS 134 N 4.17 1.40 0.09 3.54 4.81 0.30 -4.01 118.16 128.46 2uxy n LYS 134 Ca -0.18 0.50 -0.08 0.00 -0.87 0.00 0.00 58.31 57.69 2uxy n LYS 134 Cb 0.52 -2.28 -0.01 0.00 0.02 0.00 0.00 35.03 33.27 2uxy n LYS 134 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2uxy h ILE 135 N 5.54 1.53 -3.03 3.15 2.04 -1.91 0.58 117.51 125.40 2uxy h ILE 135 Ca -0.44 -2.72 -0.62 0.00 1.00 0.00 0.00 64.86 62.08 2uxy h ILE 135 Cb 1.31 2.51 -0.41 0.00 -0.74 0.00 0.00 36.82 39.50 2uxy h ILE 135 CO 0.97 0.79 -0.69 -0.63 0.00 0.00 0.00 178.15 178.58 2uxy s ILE 136 N -3.14 1.96 0.69 -0.67 1.01 -1.26 -4.44 121.20 115.35 2uxy s ILE 136 Ca -0.02 -3.22 -0.17 0.00 0.00 0.00 0.00 60.65 57.24 2uxy s ILE 136 Cb 0.10 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 2uxy s ILE 136 CO 0.82 -0.94 1.04 -2.65 0.00 0.00 0.00 174.94 173.21 2uxy n PRO 137 N 2.92 0.67 -1.78 2.79 -0.02 -1.26 -3.98 135.00 134.34 2uxy n PRO 137 Ca 0.13 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 2uxy n PRO 137 Cb 0.36 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2uxy n PRO 137 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2uxy n TRP 138 N -2.32 3.31 -2.21 6.00 -0.00 -1.26 -4.95 117.44 116.01 2uxy n TRP 138 Ca 0.14 -2.96 -0.34 0.00 -0.00 0.00 0.00 57.50 54.34 2uxy n TRP 138 Cb 0.49 -2.45 0.00 0.00 -0.00 0.00 0.00 31.31 29.35 2uxy n TRP 138 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2uxy h PRO 140 N 0.96 0.00 -0.38 0.00 0.13 -1.96 -3.45 132.00 127.30 2uxy h PRO 140 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2uxy h PRO 140 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2uxy h PRO 140 CO 0.57 0.00 -0.16 0.82 -0.23 0.00 0.00 178.00 179.00 2uxy h ILE 141 N 0.00 1.28 -3.60 -3.56 1.08 -1.94 -3.44 117.51 107.34 2uxy h ILE 141 Ca 0.00 -1.28 -0.51 0.00 -0.39 0.00 0.00 64.86 62.67 2uxy h ILE 141 Cb 0.95 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 36.00 2uxy h ILE 141 CO 0.00 0.43 0.35 -1.61 -0.69 0.00 0.00 178.15 176.63 2uxy s GLU 142 N -4.65 4.72 -0.20 2.37 2.02 -0.59 -4.95 118.70 117.42 2uxy s GLU 142 Ca -0.12 1.45 0.16 0.00 0.02 0.00 0.00 54.97 56.47 2uxy s GLU 142 Cb 0.10 -3.36 0.57 0.00 0.10 0.00 0.00 34.13 31.55 2uxy s GLU 142 CO 0.83 0.28 1.48 0.41 0.02 0.00 0.00 175.26 178.27 2uxy n GLY 143 N 2.10 3.95 3.77 -1.39 0.00 -1.26 -4.40 105.19 107.96 2uxy n GLY 143 Ca 0.01 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 2uxy n GLY 143 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2uxy s TRP 144 N -2.86 2.64 0.09 1.61 0.52 -1.26 -4.77 118.94 114.91 2uxy s TRP 144 Ca 0.44 1.53 -0.31 0.00 0.02 0.00 0.00 56.10 57.78 2uxy s TRP 144 Cb 0.36 -3.37 -0.07 0.00 -1.15 0.00 0.00 33.47 29.24 2uxy s TRP 144 CO 0.09 -1.75 1.33 -0.47 0.02 0.00 0.00 176.95 176.18 2uxy s TYR 145 N -1.66 3.28 0.43 -1.98 5.04 0.38 -4.89 117.35 117.95 2uxy s TYR 145 Ca 0.72 1.06 -0.23 0.00 -2.44 0.00 0.00 57.07 56.17 2uxy s TYR 145 Cb -0.27 -3.60 -0.08 0.00 0.35 0.00 0.00 41.96 38.36 2uxy s TYR 145 CO 0.31 -2.03 1.11 -1.25 -1.34 0.00 0.00 175.55 172.35 2uxy s PRO 146 N 1.17 3.94 0.48 4.97 0.04 -1.26 -4.41 135.00 139.94 2uxy s PRO 146 Ca 0.63 1.66 -0.03 0.00 0.04 0.00 0.00 61.00 63.30 2uxy s PRO 146 Cb -0.34 -2.46 0.10 0.00 0.04 0.00 0.00 34.50 31.84 2uxy s PRO 146 CO 0.30 -0.37 0.66 0.41 0.04 0.00 0.00 177.00 178.04 2uxy n GLY 147 N 0.38 0.21 0.00 0.56 0.00 0.20 -4.97 105.19 101.57 2uxy n GLY 147 Ca 0.06 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.15 2uxy n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uxy n GLY 148 N 0.13 -1.85 3.27 -0.02 0.00 -1.26 -4.46 105.19 101.01 2uxy n GLY 148 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2uxy n GLY 148 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2uxy s GLN 149 N 0.00 0.58 0.30 1.61 2.00 -1.26 -5.11 119.66 117.78 2uxy s GLN 149 Ca 0.00 0.16 0.07 0.00 -2.00 0.00 0.00 55.36 53.59 2uxy s GLN 149 Cb 0.00 0.27 -0.02 0.00 0.80 0.00 0.00 33.01 34.05 2uxy s GLN 149 CO 0.00 -0.13 0.33 0.95 -0.50 0.00 0.00 175.29 175.94 2uxy s THR 150 N -0.61 4.13 0.05 -0.34 -4.23 -1.26 -4.69 115.64 108.67 2uxy s THR 150 Ca -0.07 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2uxy s THR 150 Cb -0.04 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 2uxy s THR 150 CO 0.03 -0.23 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.53 2uxy s TYR 151 N -2.19 0.50 -0.03 3.99 2.02 -1.26 -5.09 117.35 115.30 2uxy s TYR 151 Ca 0.39 -0.79 0.04 0.00 -0.37 0.00 0.00 57.07 56.34 2uxy s TYR 151 Cb -0.08 -0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.14 2uxy s TYR 151 CO 0.28 -0.24 -0.16 0.08 -1.57 0.00 0.00 175.55 173.94 2uxy s VAL 152 N -2.71 1.28 0.10 0.71 1.01 -1.26 -4.32 120.40 115.20 2uxy s VAL 152 Ca -0.02 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2uxy s VAL 152 Cb -0.01 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2uxy s VAL 152 CO -0.05 0.37 -0.15 -0.44 0.00 0.00 0.00 175.10 174.83 2uxy s SER 153 N -0.11 1.94 -0.16 3.32 0.01 -0.17 -4.94 113.70 113.59 2uxy s SER 153 Ca 0.00 -0.71 -0.29 0.00 1.31 0.00 0.00 55.95 56.26 2uxy s SER 153 Cb -0.09 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 2uxy s SER 153 CO 0.01 -0.09 1.56 -1.61 0.41 0.00 0.00 173.24 173.52 2uxy s GLU 154 N -2.18 3.99 0.00 12.44 0.41 -1.26 -0.94 118.70 131.16 2uxy s GLU 154 Ca 0.04 1.81 0.00 0.00 -0.41 0.00 0.00 54.97 56.41 2uxy s GLU 154 Cb -0.08 -3.97 0.00 0.00 -1.78 0.00 0.00 34.13 28.30 2uxy s GLU 154 CO 0.03 -1.06 0.00 0.41 -0.49 0.00 0.00 175.26 174.15 2uxy n GLY 155 N 4.31 2.29 3.72 -1.39 0.00 0.53 -4.94 105.19 109.71 2uxy n GLY 155 Ca 0.17 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 2uxy n GLY 155 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uxy n PRO 156 N -0.52 2.39 -1.50 1.61 -0.02 -1.26 -1.33 135.00 134.36 2uxy n PRO 156 Ca 0.00 0.84 -0.17 0.00 -2.02 0.00 0.00 63.50 62.15 2uxy n PRO 156 Cb 0.00 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 30.88 2uxy n PRO 156 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2uxy n LYS 157 N 1.25 -1.56 -0.98 -0.52 5.02 -1.26 -1.83 118.16 118.29 2uxy n LYS 157 Ca 0.06 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.46 2uxy n LYS 157 Cb 0.36 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 2uxy n LYS 157 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uxy n GLY 158 N -0.14 0.65 3.72 0.72 0.00 -0.44 -5.03 105.19 104.66 2uxy n GLY 158 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2uxy n GLY 158 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2uxy s MET 159 N -0.02 4.28 -0.03 1.61 0.00 -0.76 -4.58 119.30 119.80 2uxy s MET 159 Ca 0.00 2.20 -0.28 0.00 0.00 0.00 0.00 55.69 57.61 2uxy s MET 159 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 34.83 31.60 2uxy s MET 159 CO 0.00 -0.49 0.91 0.15 0.00 0.00 0.00 175.02 175.59 2uxy s LYS 160 N 0.92 4.51 -0.03 4.11 1.02 -1.26 -0.35 119.74 128.66 2uxy s LYS 160 Ca 0.66 1.27 0.05 0.00 0.02 0.00 0.00 55.97 57.98 2uxy s LYS 160 Cb -0.40 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.43 2uxy s LYS 160 CO 0.32 -0.06 -0.19 0.42 -0.92 0.00 0.00 175.35 174.92 2uxy s ILE 161 N 1.09 1.57 0.05 2.17 1.01 -0.11 -0.66 121.20 126.31 2uxy s ILE 161 Ca 0.48 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 60.38 2uxy s ILE 161 Cb -0.20 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 2uxy s ILE 161 CO 0.24 0.45 -0.22 -0.44 0.00 0.00 0.00 174.94 174.97 2uxy s SER 162 N -0.23 2.66 -0.11 3.58 0.01 -0.60 -1.00 113.70 118.00 2uxy s SER 162 Ca 0.02 -0.54 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 2uxy s SER 162 Cb -0.10 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 2uxy s SER 162 CO 0.01 0.18 0.04 -0.76 0.41 0.00 0.00 173.24 173.12 2uxy s LEU 163 N -1.21 3.76 0.10 2.44 1.43 -1.26 -0.95 118.68 122.98 2uxy s LEU 163 Ca 0.09 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2uxy s LEU 163 Cb -0.09 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2uxy s LEU 163 CO 0.02 0.34 0.00 0.27 0.23 0.00 0.00 176.35 177.21 2uxy s ILE 164 N -0.64 0.29 0.00 -0.59 -4.36 -0.16 -4.82 121.20 110.91 2uxy s ILE 164 Ca 0.11 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 2uxy s ILE 164 Cb -0.12 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.77 2uxy s ILE 164 CO 0.02 -0.71 0.00 -0.38 0.24 0.00 0.00 174.94 174.12 2uxy n ILE 165 N -0.03 0.00 0.00 8.37 5.41 -1.26 -2.06 119.36 129.78 2uxy n ILE 165 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2uxy n ILE 165 Cb 0.62 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.55 2uxy n ILE 165 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2uxy n ASP 167 N 0.00 0.00 -0.32 4.38 2.03 -1.26 -4.27 116.55 117.11 2uxy n ASP 167 Ca 0.00 0.00 0.20 0.00 0.52 0.00 0.00 54.79 55.51 2uxy n ASP 167 Cb 0.00 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 40.81 2uxy n ASP 167 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2uxy h ASP 168 N 0.00 0.19 0.53 1.67 3.32 -1.95 -1.41 116.42 118.77 2uxy h ASP 168 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2uxy h ASP 168 Cb 0.00 0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2uxy h ASP 168 CO 0.00 -0.22 0.00 0.61 -1.72 0.00 0.00 179.24 177.91 2uxy n GLY 169 N -1.34 -1.11 0.12 2.75 0.00 -1.26 -1.61 105.19 102.75 2uxy n GLY 169 Ca 0.28 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.48 2uxy n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2uxy n ASN 170 N -2.01 0.61 -4.20 1.61 3.02 -0.53 -4.62 115.26 109.14 2uxy n ASN 170 Ca 0.02 0.66 -0.39 0.00 -0.03 0.00 0.00 54.58 54.84 2uxy n ASN 170 Cb 0.18 -0.79 -0.11 0.00 -0.61 0.00 0.00 39.78 38.45 2uxy n ASN 170 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2uxy s TYR 171 N -3.31 3.42 0.56 3.10 2.02 -0.63 -4.98 117.35 117.52 2uxy s TYR 171 Ca 0.04 -1.89 0.29 0.00 -0.37 0.00 0.00 57.07 55.13 2uxy s TYR 171 Cb 0.09 -3.04 1.47 0.00 -0.40 0.00 0.00 41.96 40.08 2uxy s TYR 171 CO 0.37 -0.91 1.93 -1.35 -1.57 0.00 0.00 175.55 174.02 2uxy h PRO 172 N 8.26 0.00 -0.91 -1.71 0.11 -1.85 -2.08 132.00 133.83 2uxy h PRO 172 Ca -0.19 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.05 2uxy h PRO 172 Cb 1.07 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 2uxy h PRO 172 CO 0.73 0.00 0.58 0.93 -0.21 0.00 0.00 178.00 180.04 2uxy h GLU 173 N 0.00 0.74 -0.31 1.05 3.07 -1.94 -1.82 114.58 115.38 2uxy h GLU 173 Ca 0.28 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.94 2uxy h GLU 173 Cb 1.24 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 2uxy h GLU 173 CO -0.00 0.49 -0.40 0.97 -1.40 0.00 0.00 179.01 178.67 2uxy h ILE 174 N 0.77 1.29 -0.57 3.13 2.10 -1.66 0.06 117.51 122.61 2uxy h ILE 174 Ca 0.46 -1.57 -0.05 0.00 1.08 0.00 0.00 64.86 64.77 2uxy h ILE 174 Cb 0.65 1.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.83 2uxy h ILE 174 CO -0.22 0.51 0.15 -0.50 -1.08 0.00 0.00 178.15 177.01 2uxy h TRP 175 N 0.61 0.96 -0.49 2.19 4.06 -1.56 -1.53 115.95 120.20 2uxy h TRP 175 Ca 0.05 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.86 2uxy h TRP 175 Cb 0.95 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.81 2uxy h TRP 175 CO 0.05 0.82 0.20 -0.09 -3.56 0.00 0.00 178.44 175.86 2uxy h ARG 176 N 0.82 0.72 -0.47 0.49 9.65 -1.17 -1.11 114.38 123.32 2uxy h ARG 176 Ca 0.18 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.97 2uxy h ARG 176 Cb 0.34 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 2uxy h ARG 176 CO 0.00 0.64 0.25 0.22 2.80 0.00 0.00 179.97 183.88 2uxy h ASP 177 N 0.65 0.38 -0.14 -3.80 3.58 -0.68 -0.16 116.42 116.26 2uxy h ASP 177 Ca 0.16 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 2uxy h ASP 177 Cb 0.18 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2uxy h ASP 177 CO -0.01 0.27 0.04 0.00 -2.88 0.00 0.00 179.24 176.65 2uxy h ALA 179 N 0.84 1.12 0.00 0.00 0.00 -0.94 -1.70 119.26 118.57 2uxy h ALA 179 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2uxy h ALA 179 Cb 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2uxy h ALA 179 CO -0.00 0.47 0.00 0.52 0.00 0.00 0.00 179.25 180.24 2uxy h MET 180 N 1.14 0.00 -0.00 0.00 2.07 -0.93 -0.16 114.93 117.05 2uxy h MET 180 Ca 0.33 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.96 2uxy h MET 180 Cb -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 2uxy h MET 180 CO -0.09 0.00 -0.11 1.63 1.07 0.00 0.00 176.91 179.41 2uxy n LYS 181 N -2.83 0.35 0.00 1.72 5.02 -0.88 -4.93 118.16 116.61 2uxy n LYS 181 Ca 0.01 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2uxy n LYS 181 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 2uxy n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uxy n GLY 182 N 1.37 0.99 3.71 0.72 0.00 -0.07 -4.91 105.19 107.00 2uxy n GLY 182 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2uxy n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxy n ALA 183 N -0.54 1.51 -0.08 4.61 0.00 -0.69 -4.77 120.51 120.54 2uxy n ALA 183 Ca 0.00 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.72 2uxy n ALA 183 Cb 0.00 -2.30 -0.14 0.00 0.00 0.00 0.00 19.45 17.02 2uxy n ALA 183 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2uxy n GLU 184 N 0.95 1.19 -4.24 0.00 1.02 0.16 -4.60 120.64 115.12 2uxy n GLU 184 Ca 0.06 -0.01 -0.28 0.00 -0.02 0.00 0.00 57.16 56.91 2uxy n GLU 184 Cb 0.36 -1.44 -0.17 0.00 -0.02 0.00 0.00 31.44 30.17 2uxy n GLU 184 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2uxy s LEU 185 N -5.27 1.61 -0.22 -4.62 2.96 -0.44 -1.22 118.68 111.47 2uxy s LEU 185 Ca -0.09 -0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 53.34 2uxy s LEU 185 Cb 0.05 -1.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 2uxy s LEU 185 CO 0.70 -0.03 0.06 -0.63 -1.32 0.00 0.00 176.35 175.14 2uxy s ILE 186 N 1.24 4.46 -0.30 6.68 1.01 -0.36 -1.56 121.20 132.37 2uxy s ILE 186 Ca -0.02 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.39 2uxy s ILE 186 Cb -0.14 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 2uxy s ILE 186 CO -0.05 0.38 0.18 -0.69 0.00 0.00 0.00 174.94 174.76 2uxy s VAL 187 N 1.14 5.00 -0.35 2.92 1.01 -0.13 -1.54 120.40 128.45 2uxy s VAL 187 Ca 0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2uxy s VAL 187 Cb -0.14 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2uxy s VAL 187 CO 0.03 0.16 0.12 -0.60 0.00 0.00 0.00 175.10 174.82 2uxy s ARG 188 N 1.70 2.61 -0.13 2.72 3.52 0.14 -0.99 118.95 128.52 2uxy s ARG 188 Ca 0.06 -1.21 -0.11 0.00 -0.13 0.00 0.00 55.73 54.34 2uxy s ARG 188 Cb -0.16 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 2uxy s ARG 188 CO 0.09 -0.70 0.22 0.00 -0.81 0.00 0.00 175.30 174.10 2uxy s GLN 190 N -0.26 0.80 -0.67 0.00 -2.07 0.50 -4.23 119.66 113.73 2uxy s GLN 190 Ca 0.15 -0.57 0.05 0.00 -1.82 0.00 0.00 55.36 53.17 2uxy s GLN 190 Cb -0.13 0.34 0.27 0.00 -1.09 0.00 0.00 33.01 32.40 2uxy s GLN 190 CO 0.04 -0.25 0.84 0.41 -1.32 0.00 0.00 175.29 175.01 2uxy n GLY 191 N 0.52 4.96 3.51 2.60 0.00 -1.25 -2.05 105.19 113.47 2uxy n GLY 191 Ca -0.18 -2.77 -0.43 0.00 0.00 0.00 0.00 46.02 42.64 2uxy n GLY 191 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2uxy s TYR 192 N -2.64 3.12 0.39 1.61 6.04 -1.26 -4.97 117.35 119.63 2uxy s TYR 192 Ca 0.40 -0.13 -0.21 0.00 0.04 0.00 0.00 57.07 57.17 2uxy s TYR 192 Cb 0.16 -3.13 -0.10 0.00 -1.04 0.00 0.00 41.96 37.85 2uxy s TYR 192 CO -0.02 -0.76 0.92 0.00 -1.54 0.00 0.00 175.55 174.15 2uxy s MET 193 N 2.52 4.28 0.54 4.97 0.23 -1.26 -2.47 119.30 128.11 2uxy s MET 193 Ca 0.18 1.11 -0.21 0.00 -1.03 0.00 0.00 55.69 55.75 2uxy s MET 193 Cb -0.15 -2.36 -0.07 0.00 -1.53 0.00 0.00 34.83 30.72 2uxy s MET 193 CO 0.16 0.07 1.01 0.66 -2.03 0.00 0.00 175.02 174.89 2uxy n TYR 194 N -0.31 1.06 0.05 3.16 4.01 0.19 -3.75 117.16 121.58 2uxy n TYR 194 Ca 0.05 0.47 -0.06 0.00 -0.16 0.00 0.00 57.90 58.20 2uxy n TYR 194 Cb 0.53 -2.19 -0.10 0.00 -0.31 0.00 0.00 39.34 37.27 2uxy n TYR 194 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2uxy h PRO 195 N 0.93 0.00 -2.00 -0.72 0.13 -1.97 -3.45 132.00 124.92 2uxy h PRO 195 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 2uxy h PRO 195 Cb 1.35 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.38 2uxy h PRO 195 CO 0.53 0.73 -0.18 0.00 -0.23 0.00 0.00 178.00 178.85 2uxy n ALA 196 N -2.39 6.35 0.47 -0.56 0.00 -1.25 -4.66 120.51 118.47 2uxy n ALA 196 Ca -0.05 -2.10 -0.19 0.00 0.00 0.00 0.00 53.44 51.10 2uxy n ALA 196 Cb 0.94 -2.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.05 2uxy n ALA 196 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2uxy h LYS 197 N 2.95 -1.16 -0.32 0.00 3.64 -1.96 -2.28 116.57 117.44 2uxy h LYS 197 Ca 0.24 0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.61 2uxy h LYS 197 Cb 1.31 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 33.38 2uxy h LYS 197 CO 0.39 -0.77 -0.15 -0.44 -2.27 0.00 0.00 179.45 176.22 2uxy h ASP 198 N -1.27 0.56 -0.45 4.20 3.32 -2.01 -1.92 116.42 118.85 2uxy h ASP 198 Ca -0.12 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 2uxy h ASP 198 Cb 0.93 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 2uxy h ASP 198 CO 0.20 0.73 0.11 1.56 -1.72 0.00 0.00 179.24 180.12 2uxy h GLN 199 N 0.52 0.78 -0.07 3.56 7.50 -1.92 -2.02 115.11 123.46 2uxy h GLN 199 Ca 0.09 -0.16 -0.20 0.00 0.50 0.00 0.00 58.65 58.88 2uxy h GLN 199 Cb 0.55 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.97 2uxy h GLN 199 CO 0.04 0.71 -0.80 1.96 -1.50 0.00 0.00 178.83 179.24 2uxy h GLN 200 N 0.75 0.48 -0.50 1.46 1.08 -0.79 -1.07 115.11 116.52 2uxy h GLN 200 Ca 0.17 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 56.96 2uxy h GLN 200 Cb 0.30 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 2uxy h GLN 200 CO -0.00 1.06 0.31 0.28 -0.95 0.00 0.00 178.83 179.53 2uxy h VAL 201 N 0.32 1.08 -0.57 -0.54 2.07 -1.16 -2.79 116.25 114.64 2uxy h VAL 201 Ca -0.05 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 2uxy h VAL 201 Cb 1.40 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2uxy h VAL 201 CO 0.14 0.11 -0.02 -0.03 0.02 0.00 0.00 177.57 177.80 2uxy h MET 202 N 0.62 1.00 -0.67 1.57 1.85 -1.23 -3.10 114.93 114.98 2uxy h MET 202 Ca 0.20 -0.32 -0.00 0.00 -0.61 0.00 0.00 59.70 58.97 2uxy h MET 202 Cb -0.01 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 2uxy h MET 202 CO -0.08 1.00 0.41 1.98 -0.40 0.00 0.00 176.91 179.82 2uxy h MET 203 N 0.92 0.90 -0.69 0.39 -1.53 -0.98 -0.53 114.93 113.41 2uxy h MET 203 Ca 0.16 -0.08 -0.06 0.00 -3.44 0.00 0.00 59.70 56.29 2uxy h MET 203 Cb 0.56 -0.19 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 2uxy h MET 203 CO 0.03 0.63 0.20 0.00 0.14 0.00 0.00 176.91 177.91 2uxy h ALA 204 N 1.22 1.03 -0.34 0.39 0.00 -1.43 -1.04 119.26 119.09 2uxy h ALA 204 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2uxy h ALA 204 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2uxy h ALA 204 CO -0.05 0.64 0.08 0.87 0.00 0.00 0.00 179.25 180.80 2uxy h LYS 205 N 1.04 0.54 -0.51 0.00 1.57 -1.43 -1.86 116.57 115.92 2uxy h LYS 205 Ca 0.22 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2uxy h LYS 205 Cb 0.32 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2uxy h LYS 205 CO -0.00 0.60 0.14 0.00 -0.57 0.00 0.00 179.45 179.61 2uxy h ALA 206 N 0.92 1.29 0.01 3.86 0.00 -0.83 -2.49 119.26 122.03 2uxy h ALA 206 Ca 0.11 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 2uxy h ALA 206 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2uxy h ALA 206 CO 0.00 0.50 -0.92 0.52 0.00 0.00 0.00 179.25 179.36 2uxy h MET 207 N 0.74 0.12 -0.11 0.00 2.86 -1.05 0.29 114.93 117.77 2uxy h MET 207 Ca 0.17 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2uxy h MET 207 Cb 0.25 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2uxy h MET 207 CO -0.01 0.95 -0.02 0.00 1.06 0.00 0.00 176.91 178.89 2uxy h ALA 208 N 1.00 0.08 0.40 6.32 0.00 -1.14 -1.62 119.26 124.29 2uxy h ALA 208 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2uxy h ALA 208 Cb 1.58 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 2uxy h ALA 208 CO 0.13 -0.48 -0.24 2.35 0.00 0.00 0.00 179.25 181.01 2uxy h TRP 209 N 0.01 -0.63 0.00 0.00 2.91 -1.35 -1.19 115.95 115.70 2uxy h TRP 209 Ca 0.05 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.02 2uxy h TRP 209 Cb 0.08 0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 2uxy h TRP 209 CO -0.15 -0.38 -0.22 0.00 -1.03 0.00 0.00 178.44 176.67 2uxy h ALA 210 N -0.05 1.51 -0.37 2.65 0.00 -0.86 -2.85 119.26 119.31 2uxy h ALA 210 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2uxy h ALA 210 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2uxy h ALA 210 CO 0.05 0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.66 2uxy n ASN 211 N -4.09 3.07 -3.90 0.00 3.02 -0.62 -4.69 115.26 108.05 2uxy n ASN 211 Ca -0.02 -2.08 -0.26 0.00 -0.03 0.00 0.00 54.58 52.20 2uxy n ASN 211 Cb 0.29 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2uxy n ASN 211 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2uxy n ASN 212 N 0.51 -1.26 -4.02 6.41 4.13 -0.50 -4.89 115.26 115.64 2uxy n ASN 212 Ca 0.13 -0.93 -0.13 0.00 1.68 0.00 0.00 54.58 55.33 2uxy n ASN 212 Cb 0.47 -3.40 -0.12 0.00 -1.54 0.00 0.00 39.78 35.20 2uxy n ASN 212 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2uxy s TYR 214 N -1.15 2.68 -0.04 0.00 2.02 -0.36 -3.81 117.35 116.70 2uxy s TYR 214 Ca -0.09 1.49 0.02 0.00 -0.37 0.00 0.00 57.07 58.12 2uxy s TYR 214 Cb -0.08 -3.50 0.01 0.00 -0.40 0.00 0.00 41.96 37.99 2uxy s TYR 214 CO 0.00 -1.93 -0.09 0.08 -1.57 0.00 0.00 175.55 172.05 2uxy s VAL 215 N -1.49 0.82 -0.14 0.71 1.01 -0.84 -1.22 120.40 119.25 2uxy s VAL 215 Ca 0.67 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.33 2uxy s VAL 215 Cb -0.32 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.32 2uxy s VAL 215 CO 0.38 0.27 -0.18 0.00 0.00 0.00 0.00 175.10 175.57 2uxy s ALA 216 N 0.48 2.04 -0.18 5.51 0.00 -0.59 -0.50 121.76 128.52 2uxy s ALA 216 Ca -0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 2uxy s ALA 216 Cb -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 2uxy s ALA 216 CO 0.01 -0.18 -0.10 0.08 0.00 0.00 0.00 175.76 175.57 2uxy s VAL 217 N 1.10 3.11 -0.23 0.00 1.01 0.43 -0.68 120.40 125.14 2uxy s VAL 217 Ca -0.02 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2uxy s VAL 217 Cb -0.14 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2uxy s VAL 217 CO -0.06 0.48 -0.06 0.00 0.00 0.00 0.00 175.10 175.46 2uxy s ALA 218 N 0.97 2.74 -0.01 5.51 0.00 -0.77 -1.01 121.76 129.18 2uxy s ALA 218 Ca -0.01 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.77 2uxy s ALA 218 Cb -0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2uxy s ALA 218 CO -0.01 -0.54 -0.26 1.21 0.00 0.00 0.00 175.76 176.17 2uxy s ASN 219 N 1.42 3.08 0.93 0.00 2.47 -1.26 -0.37 114.94 121.22 2uxy s ASN 219 Ca 0.04 -0.48 -0.10 0.00 0.42 0.00 0.00 52.86 52.74 2uxy s ASN 219 Cb -0.15 -0.34 0.15 0.00 -1.45 0.00 0.00 41.25 39.47 2uxy s ASN 219 CO -0.04 0.31 1.13 0.00 -3.72 0.00 0.00 177.10 174.78 2uxy s ALA 220 N -0.64 1.31 0.17 1.71 0.00 -0.87 -3.88 121.76 119.57 2uxy s ALA 220 Ca 0.10 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2uxy s ALA 220 Cb -0.10 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2uxy s ALA 220 CO -0.01 -2.81 0.01 0.00 0.00 0.00 0.00 175.76 172.96 2uxy s ALA 221 N -2.65 1.31 0.00 0.00 0.00 -0.96 -1.13 121.76 118.33 2uxy s ALA 221 Ca 0.66 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2uxy s ALA 221 Cb -0.23 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.50 2uxy s ALA 221 CO 0.59 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.41 2uxy n GLY 222 N -0.23 -0.25 3.51 0.00 0.00 -1.21 -0.85 105.19 106.16 2uxy n GLY 222 Ca -0.06 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 2uxy n GLY 222 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2uxy s PHE 223 N -1.38 2.83 -0.42 1.61 5.36 -1.26 -0.84 117.98 123.88 2uxy s PHE 223 Ca 0.00 -0.14 0.10 0.00 -0.96 0.00 0.00 56.93 55.93 2uxy s PHE 223 Cb 0.00 -1.71 0.26 0.00 -0.34 0.00 0.00 43.02 41.23 2uxy s PHE 223 CO 0.00 0.20 1.20 -0.40 -1.46 0.00 0.00 175.22 174.76 2uxy n ASP 224 N 2.47 2.77 0.00 6.13 5.75 -0.55 -4.93 116.55 128.19 2uxy n ASP 224 Ca -0.18 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 2uxy n ASP 224 Cb 0.53 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 2uxy n ASP 224 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uxy n GLY 225 N -0.21 3.21 1.21 6.12 0.00 -1.26 -4.80 105.19 109.45 2uxy n GLY 225 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2uxy n GLY 225 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uxy n VAL 226 N -1.42 0.59 -4.36 1.61 0.31 -1.26 -5.10 118.33 108.70 2uxy n VAL 226 Ca 0.00 0.19 -0.29 0.00 -0.01 0.00 0.00 64.34 64.23 2uxy n VAL 226 Cb 0.00 -1.36 -0.12 0.00 -0.91 0.00 0.00 33.84 31.45 2uxy n VAL 226 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2uxy s TYR 227 N -2.00 2.49 -0.21 3.52 2.02 -1.26 -5.12 117.35 116.78 2uxy s TYR 227 Ca 0.00 -0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.33 2uxy s TYR 227 Cb 0.00 -1.34 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2uxy s TYR 227 CO 0.00 0.36 0.09 0.45 -1.57 0.00 0.00 175.55 174.88 2uxy s SER 228 N -2.05 5.68 -0.16 2.29 0.15 -1.26 -1.49 113.70 116.85 2uxy s SER 228 Ca 0.17 0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.75 2uxy s SER 228 Cb -0.10 -2.00 -0.05 0.00 -1.71 0.00 0.00 66.02 62.16 2uxy s SER 228 CO 0.09 0.10 0.17 -0.31 1.20 0.00 0.00 173.24 174.49 2uxy s TYR 229 N 0.80 3.48 -2.22 3.44 2.02 -0.02 -0.63 117.35 124.21 2uxy s TYR 229 Ca 0.05 0.46 0.19 0.00 -0.37 0.00 0.00 57.07 57.39 2uxy s TYR 229 Cb -0.13 -2.14 0.63 0.00 -0.40 0.00 0.00 41.96 39.92 2uxy s TYR 229 CO 0.02 0.41 1.48 1.97 -1.57 0.00 0.00 175.55 177.86 2uxy n PHE 230 N 3.07 0.29 -2.46 2.71 1.16 -1.03 -3.31 117.46 117.90 2uxy n PHE 230 Ca -0.16 -0.15 0.00 0.00 -1.87 0.00 0.00 57.45 55.27 2uxy n PHE 230 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 2uxy n PHE 230 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2uxy n GLY 231 N 1.14 2.53 3.07 4.97 0.00 -0.28 -4.11 105.19 112.52 2uxy n GLY 231 Ca 0.15 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 2uxy n GLY 231 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2uxy n HIS 232 N 13.48 -2.07 -1.52 1.61 8.25 0.14 -4.66 115.22 130.45 2uxy n HIS 232 Ca 0.00 0.59 -0.40 0.00 -0.26 0.00 0.00 57.72 57.65 2uxy n HIS 232 Cb 0.00 -4.52 0.02 0.00 1.12 0.00 0.00 29.99 26.62 2uxy n HIS 232 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2uxy n SER 233 N -2.48 -0.14 -3.44 0.41 7.64 -1.26 -4.66 113.62 109.68 2uxy n SER 233 Ca -0.09 0.89 -0.13 0.00 1.01 0.00 0.00 58.87 60.55 2uxy n SER 233 Cb 0.61 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.56 2uxy n SER 233 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2uxy s ALA 234 N -1.49 -1.64 -0.07 -0.43 0.00 -0.18 -0.54 121.76 117.41 2uxy s ALA 234 Ca 0.66 0.67 0.02 0.00 0.00 0.00 0.00 51.96 53.30 2uxy s ALA 234 Cb -0.53 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.31 2uxy s ALA 234 CO 0.55 -0.69 -0.10 0.42 0.00 0.00 0.00 175.76 175.95 2uxy s ILE 235 N -3.24 1.00 -0.08 0.00 1.01 -0.35 -0.43 121.20 119.12 2uxy s ILE 235 Ca -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.30 2uxy s ILE 235 Cb -0.01 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.52 2uxy s ILE 235 CO -0.09 0.33 -0.18 -0.63 0.00 0.00 0.00 174.94 174.37 2uxy s ILE 236 N 0.90 1.61 0.81 2.92 -1.09 0.34 -0.41 121.20 126.28 2uxy s ILE 236 Ca -0.10 -0.77 -0.11 0.00 -2.23 0.00 0.00 60.65 57.44 2uxy s ILE 236 Cb -0.15 -1.41 0.08 0.00 -1.58 0.00 0.00 42.46 39.40 2uxy s ILE 236 CO 0.01 0.46 1.09 -0.83 -1.23 0.00 0.00 174.94 174.44 2uxy s GLY 237 N 0.40 1.66 0.00 6.18 0.00 -0.34 -1.98 107.32 113.24 2uxy s GLY 237 Ca -0.15 0.20 0.18 0.00 0.00 0.00 0.00 44.72 44.95 2uxy s GLY 237 CO 0.06 0.58 1.54 1.97 0.00 0.00 0.00 173.10 177.25 2uxy n PHE 238 N -3.64 0.00 0.05 1.90 1.16 -1.25 -1.62 117.46 114.07 2uxy n PHE 238 Ca 0.09 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.75 2uxy n PHE 238 Cb 0.53 -0.31 0.26 0.00 -1.61 0.00 0.00 39.48 38.35 2uxy n PHE 238 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 2uxy n ASP 239 N -1.31 3.39 0.00 5.98 5.75 -1.26 -4.12 116.55 124.97 2uxy n ASP 239 Ca 0.08 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 2uxy n ASP 239 Cb 0.15 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2uxy n ASP 239 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2uxy n GLY 240 N 1.19 1.47 3.70 6.12 0.00 -0.64 -4.84 105.19 112.20 2uxy n GLY 240 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2uxy n GLY 240 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uxy s ARG 241 N -0.26 4.28 0.28 1.61 0.52 -1.26 -4.87 118.95 119.26 2uxy s ARG 241 Ca 0.00 0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 55.28 2uxy s ARG 241 Cb 0.00 -3.48 -0.12 0.00 0.52 0.00 0.00 34.95 31.87 2uxy s ARG 241 CO 0.00 0.07 1.50 2.41 0.02 0.00 0.00 175.30 179.29 2uxy n THR 242 N 3.96 1.12 -0.05 0.02 -1.04 -1.26 -1.20 114.28 115.82 2uxy n THR 242 Ca -0.07 -0.28 -0.02 0.00 -2.04 0.00 0.00 64.05 61.64 2uxy n THR 242 Cb 0.51 -1.75 -0.02 0.00 -1.82 0.00 0.00 70.33 67.25 2uxy n THR 242 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2uxy h LEU 243 N 4.32 0.00 -7.34 -4.42 3.38 -1.07 -3.45 115.31 106.73 2uxy h LEU 243 Ca -0.46 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 2uxy h LEU 243 Cb 1.25 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 2uxy h LEU 243 CO 0.76 0.59 -0.10 -0.83 0.09 0.00 0.00 178.44 178.95 2uxy s GLY 244 N -3.71 -0.30 0.01 0.83 0.00 -1.10 -4.86 107.32 98.20 2uxy s GLY 244 Ca -0.04 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.20 2uxy s GLY 244 CO 0.10 0.26 -0.02 1.85 0.00 0.00 0.00 173.10 175.28 2uxy s GLU 245 N -1.84 0.21 0.58 2.90 2.12 -1.26 -1.21 118.70 120.19 2uxy s GLU 245 Ca -0.09 -0.30 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 2uxy s GLU 245 Cb -0.02 -0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.33 2uxy s GLU 245 CO 0.02 0.00 0.89 0.00 -0.54 0.00 0.00 175.26 175.64 2uxy n GLY 247 N -2.56 1.28 0.64 0.00 0.00 -1.26 -3.76 105.19 99.53 2uxy n GLY 247 Ca 0.04 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.52 2uxy n GLY 247 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2uxy n GLU 248 N 0.00 1.82 -2.44 1.61 4.71 -1.26 -0.69 120.64 124.40 2uxy n GLU 248 Ca 0.00 -1.25 -0.40 0.00 -0.01 0.00 0.00 57.16 55.50 2uxy n GLU 248 Cb 0.00 -1.36 -0.04 0.00 -1.01 0.00 0.00 31.44 29.03 2uxy n GLU 248 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 2uxy s GLU 249 N -1.65 4.60 0.23 3.49 1.03 -1.26 -4.48 118.70 120.66 2uxy s GLU 249 Ca 0.29 1.84 -0.31 0.00 0.03 0.00 0.00 54.97 56.83 2uxy s GLU 249 Cb 0.16 -3.16 -0.11 0.00 -0.80 0.00 0.00 34.13 30.22 2uxy s GLU 249 CO 0.23 0.16 1.61 -1.21 -1.33 0.00 0.00 175.26 174.71 2uxy s GLU 250 N -1.51 4.16 -1.63 -4.83 2.02 -1.26 -2.57 118.70 113.08 2uxy s GLU 250 Ca 0.45 2.50 0.00 0.00 0.02 0.00 0.00 54.97 57.95 2uxy s GLU 250 Cb -0.33 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2uxy s GLU 250 CO 0.42 -0.64 0.00 -1.33 0.02 0.00 0.00 175.26 173.73 2uxy n MET 251 N 3.14 -1.15 -1.45 1.61 2.81 0.66 -4.95 117.12 117.80 2uxy n MET 251 Ca 0.12 1.00 -0.36 0.00 -1.81 0.00 0.00 57.70 56.65 2uxy n MET 251 Cb 0.37 -5.23 0.09 0.00 -0.71 0.00 0.00 33.22 27.75 2uxy n MET 251 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2uxy n GLY 252 N -1.01 0.00 3.02 3.03 0.00 -1.06 -4.76 105.19 104.40 2uxy n GLY 252 Ca -0.17 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 2uxy n GLY 252 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uxy s ILE 253 N -1.72 0.62 0.20 -0.61 1.01 -1.26 -0.40 121.20 119.05 2uxy s ILE 253 Ca 0.77 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 61.03 2uxy s ILE 253 Cb -0.35 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2uxy s ILE 253 CO 0.47 0.07 -0.19 -1.10 0.00 0.00 0.00 174.94 174.19 2uxy s GLN 254 N -0.47 1.42 -0.14 2.79 -1.52 -0.68 -4.86 119.66 116.20 2uxy s GLN 254 Ca 0.01 -1.55 -0.10 0.00 -1.95 0.00 0.00 55.36 51.77 2uxy s GLN 254 Cb -0.04 -1.48 0.04 0.00 -0.22 0.00 0.00 33.01 31.31 2uxy s GLN 254 CO -0.00 0.29 0.35 -0.47 -0.25 0.00 0.00 175.29 175.20 2uxy s TYR 255 N -2.28 -0.44 0.11 0.91 5.04 -1.26 -1.07 117.35 118.36 2uxy s TYR 255 Ca 0.21 1.02 -0.09 0.00 -2.44 0.00 0.00 57.07 55.77 2uxy s TYR 255 Cb -0.05 0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.42 2uxy s TYR 255 CO 0.09 -0.25 0.21 0.00 -1.34 0.00 0.00 175.55 174.27 2uxy s ALA 256 N 0.82 -0.15 -0.28 3.97 0.00 -0.62 -4.59 121.76 120.91 2uxy s ALA 256 Ca -0.05 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2uxy s ALA 256 Cb -0.06 0.59 -0.05 0.00 0.00 0.00 0.00 23.12 23.60 2uxy s ALA 256 CO -0.06 -0.54 0.17 -0.65 0.00 0.00 0.00 175.76 174.68 2uxy s GLN 257 N -3.89 3.90 -0.32 0.00 -0.21 -0.77 -1.28 119.66 117.10 2uxy s GLN 257 Ca 0.08 -0.35 -0.09 0.00 0.02 0.00 0.00 55.36 55.03 2uxy s GLN 257 Cb 0.04 -3.61 0.00 0.00 1.00 0.00 0.00 33.01 30.45 2uxy s GLN 257 CO -0.08 -0.18 0.14 -0.51 -2.12 0.00 0.00 175.29 172.54 2uxy s LEU 258 N 1.74 4.14 0.02 2.90 1.43 0.07 -1.16 118.68 127.82 2uxy s LEU 258 Ca 0.07 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.22 2uxy s LEU 258 Cb -0.16 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2uxy s LEU 258 CO 0.10 -0.22 1.13 -0.55 0.23 0.00 0.00 176.35 177.03 2uxy s SER 259 N 1.57 7.16 0.04 2.29 0.15 -1.26 -0.79 113.70 122.87 2uxy s SER 259 Ca 0.04 1.86 -0.25 0.00 0.70 0.00 0.00 55.95 58.30 2uxy s SER 259 Cb -0.17 -2.57 -0.17 0.00 -1.71 0.00 0.00 66.02 61.39 2uxy s SER 259 CO 0.05 -0.43 1.53 -0.07 1.20 0.00 0.00 173.24 175.52 2uxy h LEU 260 N 7.11 -0.07 -0.94 3.45 3.38 -1.36 -3.17 115.31 123.70 2uxy h LEU 260 Ca -0.40 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.31 2uxy h LEU 260 Cb 1.20 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2uxy h LEU 260 CO 0.81 0.14 -0.11 0.77 0.09 0.00 0.00 178.44 180.14 2uxy h SER 261 N -0.28 0.63 -0.21 -0.43 4.64 -1.92 -2.35 113.55 113.63 2uxy h SER 261 Ca -0.01 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2uxy h SER 261 Cb 0.25 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 2uxy h SER 261 CO 0.01 0.78 0.10 1.56 -0.87 0.00 0.00 176.83 178.42 2uxy h GLN 262 N 0.59 0.30 -0.29 4.77 1.08 -1.93 0.69 115.11 120.33 2uxy h GLN 262 Ca 0.11 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.14 2uxy h GLN 262 Cb 0.54 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 2uxy h GLN 262 CO 0.03 0.32 -0.33 0.97 -0.95 0.00 0.00 178.83 178.87 2uxy h ILE 263 N 0.21 1.29 -0.18 2.54 2.10 -1.51 -0.82 117.51 121.13 2uxy h ILE 263 Ca 0.07 -1.46 -0.18 0.00 1.08 0.00 0.00 64.86 64.37 2uxy h ILE 263 Cb 0.12 1.43 -0.00 0.00 -1.09 0.00 0.00 36.82 37.27 2uxy h ILE 263 CO -0.01 0.47 -0.61 0.03 -1.08 0.00 0.00 178.15 176.95 2uxy h ARG 264 N 0.53 0.63 -0.63 2.19 3.08 -1.23 -0.40 114.38 118.55 2uxy h ARG 264 Ca 0.06 -0.43 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 2uxy h ARG 264 Cb 0.83 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 2uxy h ARG 264 CO 0.07 1.05 0.22 0.22 -1.07 0.00 0.00 179.97 180.46 2uxy h ASP 265 N 0.47 0.90 -0.37 7.04 3.58 -0.72 -2.47 116.42 124.84 2uxy h ASP 265 Ca -0.00 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.18 2uxy h ASP 265 Cb 1.18 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 2uxy h ASP 265 CO 0.12 0.85 -0.05 0.00 -2.88 0.00 0.00 179.24 177.27 2uxy h ALA 266 N 1.09 0.50 0.00 -0.78 0.00 -0.94 -0.08 119.26 119.05 2uxy h ALA 266 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 2uxy h ALA 266 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2uxy h ALA 266 CO -0.01 0.32 -0.29 0.00 0.00 0.00 0.00 179.25 179.27 2uxy h ARG 267 N 0.49 0.00 0.16 0.00 3.08 -1.01 -0.71 114.38 116.38 2uxy h ARG 267 Ca 0.10 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.93 2uxy h ARG 267 Cb 0.55 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.62 2uxy h ARG 267 CO 0.03 0.29 -0.95 0.00 -1.07 0.00 0.00 179.97 178.27 2uxy h ALA 268 N 1.71 -0.10 0.00 0.04 0.00 -1.32 -3.43 119.26 116.15 2uxy h ALA 268 Ca -0.00 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2uxy h ALA 268 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2uxy h ALA 268 CO 0.04 0.44 -0.96 0.09 0.00 0.00 0.00 179.25 178.86 2uxy n ASN 269 N -4.04 2.70 -4.78 0.00 3.02 -0.06 -4.98 115.26 107.13 2uxy n ASN 269 Ca -0.15 -0.18 -0.33 0.00 -0.03 0.00 0.00 54.58 53.89 2uxy n ASN 269 Cb 0.88 1.18 0.03 0.00 -0.61 0.00 0.00 39.78 41.26 2uxy n ASN 269 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2uxy s ASP 270 N -2.31 5.38 0.09 6.41 1.01 -0.29 -4.99 116.67 121.98 2uxy s ASP 270 Ca -0.01 1.96 0.00 0.00 0.71 0.00 0.00 52.55 55.21 2uxy s ASP 270 Cb 0.04 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.42 2uxy s ASP 270 CO 0.23 -1.44 0.00 0.00 0.21 0.00 0.00 175.17 174.16 2uxy n GLN 271 N -2.19 0.00 0.23 8.23 6.02 -1.26 -4.55 117.38 123.86 2uxy n GLN 271 Ca 0.10 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.18 2uxy n GLN 271 Cb 0.52 -0.18 0.55 0.00 1.02 0.00 0.00 30.24 32.14 2uxy n GLN 271 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2uxy h SER 272 N 0.00 0.00 -0.03 1.08 4.64 -2.01 -2.88 113.55 114.35 2uxy h SER 272 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2uxy h SER 272 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.00 2uxy h SER 272 CO 0.00 0.22 -0.62 0.00 -0.87 0.00 0.00 176.83 175.57 2uxy n GLN 273 N -3.69 1.36 -2.74 4.77 1.13 -1.26 -4.88 117.38 112.07 2uxy n GLN 273 Ca -0.01 -3.09 -0.43 0.00 -1.94 0.00 0.00 57.00 51.52 2uxy n GLN 273 Cb 0.34 -1.34 -0.00 0.00 0.11 0.00 0.00 30.24 29.35 2uxy n GLN 273 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2uxy s ASN 274 N -3.02 6.93 0.20 1.08 3.84 -1.09 -4.82 114.94 118.05 2uxy s ASN 274 Ca 0.38 -2.66 -0.07 0.00 0.21 0.00 0.00 52.86 50.72 2uxy s ASN 274 Cb 0.37 -2.50 0.13 0.00 -0.55 0.00 0.00 41.25 38.70 2uxy s ASN 274 CO -0.08 -1.00 1.63 0.45 -2.79 0.00 0.00 177.10 175.31 2uxy h HIS 275 N 7.45 1.02 -0.49 0.43 3.86 -1.89 -0.04 115.15 125.49 2uxy h HIS 275 Ca 0.39 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2uxy h HIS 275 Cb 0.88 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 2uxy h HIS 275 CO 1.29 0.99 0.24 -0.07 0.86 0.00 0.00 177.93 181.23 2uxy h LEU 276 N 0.81 0.65 -0.09 2.43 3.38 -1.88 -1.89 115.31 118.72 2uxy h LEU 276 Ca 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2uxy h LEU 276 Cb 0.67 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2uxy h LEU 276 CO 0.05 0.60 0.01 0.15 0.09 0.00 0.00 178.44 179.34 2uxy h PHE 277 N 0.65 0.16 -0.12 1.13 3.57 -1.88 -3.33 116.94 117.13 2uxy h PHE 277 Ca 0.17 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 2uxy h PHE 277 Cb 0.12 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2uxy h PHE 277 CO -0.01 0.36 -0.29 0.87 -2.23 0.00 0.00 178.31 177.02 2uxy h LYS 278 N -0.09 0.21 0.00 1.11 1.57 -0.78 -2.71 116.57 115.88 2uxy h LYS 278 Ca 0.03 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2uxy h LYS 278 Cb 0.29 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2uxy h LYS 278 CO 0.00 0.49 -0.01 0.97 -0.57 0.00 0.00 179.45 180.33 2uxy h ILE 279 N 0.19 0.08 -0.34 1.86 6.09 -1.46 -2.12 117.51 121.80 2uxy h ILE 279 Ca 0.03 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 2uxy h ILE 279 Cb 0.61 1.20 0.00 0.00 0.47 0.00 0.00 36.82 39.11 2uxy h ILE 279 CO 0.04 0.01 0.00 0.18 -3.07 0.00 0.00 178.15 175.32 2uxy n LEU 280 N -3.16 2.91 -2.66 2.19 4.77 -1.03 -4.54 117.00 115.49 2uxy n LEU 280 Ca -0.02 -1.92 -0.09 0.00 -0.03 0.00 0.00 56.01 53.95 2uxy n LEU 280 Cb 0.16 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2uxy n LEU 280 CO 0.24 0.72 -0.11 1.41 -1.33 0.00 0.00 177.39 178.31 2uxy n HIS 281 N 0.59 1.20 -2.09 -1.77 8.25 -0.80 -3.79 115.22 116.81 2uxy n HIS 281 Ca 0.12 -2.79 -0.41 0.00 -0.26 0.00 0.00 57.72 54.38 2uxy n HIS 281 Cb 0.43 -0.37 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 2uxy n HIS 281 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2uxy s ARG 282 N -3.14 4.32 -1.27 -0.41 0.52 -0.09 -3.10 118.95 115.78 2uxy s ARG 282 Ca 0.27 2.22 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 2uxy s ARG 282 Cb 0.46 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.82 2uxy s ARG 282 CO 0.03 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.47 2uxy n GLY 283 N 1.66 -0.23 0.36 -3.53 0.00 -1.26 -0.81 105.19 101.38 2uxy n GLY 283 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 2uxy n GLY 283 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2uxy h TYR 284 N 0.00 1.14 -0.26 1.61 -0.00 -1.87 0.36 116.97 117.94 2uxy h TYR 284 Ca -0.35 -0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.34 2uxy h TYR 284 Cb 1.26 -0.37 -0.01 0.00 0.00 0.00 0.00 36.73 37.60 2uxy h TYR 284 CO 0.39 0.75 -0.00 0.77 -0.00 0.00 0.00 178.16 180.07 2uxy h SER 285 N 1.19 0.46 -0.21 0.10 0.02 -1.91 -1.77 113.55 111.44 2uxy h SER 285 Ca 0.31 -0.31 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2uxy h SER 285 Cb -0.05 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2uxy h SER 285 CO -0.06 0.66 -0.37 1.23 -1.14 0.00 0.00 176.83 177.15 2uxy h GLY 286 N 0.25 0.80 1.02 -3.77 0.00 -1.87 -0.76 103.07 98.73 2uxy h GLY 286 Ca 0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 2uxy h GLY 286 CO 0.01 0.72 0.36 -2.00 0.00 0.00 0.00 176.54 175.63 2uxy h LEU 287 N 0.61 0.96 -0.27 3.11 5.85 -0.90 -1.40 115.31 123.27 2uxy h LEU 287 Ca 0.06 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2uxy h LEU 287 Cb 0.91 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2uxy h LEU 287 CO 0.08 0.82 0.06 -0.61 -0.34 0.00 0.00 178.44 178.45 2uxy h GLN 288 N 1.03 0.43 0.00 1.25 4.15 -0.96 -0.12 115.11 120.90 2uxy h GLN 288 Ca 0.25 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 2uxy h GLN 288 Cb 0.11 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 2uxy h GLN 288 CO -0.03 0.53 -0.06 0.00 -1.93 0.00 0.00 178.83 177.33 2uxy h ALA 289 N 0.89 1.30 -0.01 3.38 0.00 -1.00 -2.15 119.26 121.67 2uxy h ALA 289 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2uxy h ALA 289 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2uxy h ALA 289 CO 0.00 0.08 -0.11 0.43 0.00 0.00 0.00 179.25 179.65 2uxy n SER 290 N -3.60 1.25 0.00 0.00 7.64 -0.54 -4.94 113.62 113.43 2uxy n SER 290 Ca -0.02 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.65 2uxy n SER 290 Cb 0.18 0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2uxy n SER 290 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2uxy n GLY 291 N 1.24 0.40 1.35 0.23 0.00 -0.81 -4.93 105.19 102.66 2uxy n GLY 291 Ca 0.16 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 45.18 2uxy n GLY 291 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2uxy n ASP 292 N 1.95 4.39 0.00 1.61 8.00 -0.11 -5.03 116.55 127.37 2uxy n ASP 292 Ca 0.00 -3.10 0.00 0.00 0.71 0.00 0.00 54.79 52.40 2uxy n ASP 292 Cb 0.06 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2uxy n ASP 292 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uxy n GLY 293 N -0.23 0.43 0.09 0.44 0.00 -1.25 -4.84 105.19 99.83 2uxy n GLY 293 Ca 0.27 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.36 2uxy n GLY 293 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2uxy n ASP 294 N -0.21 2.32 -0.45 1.61 5.68 -1.26 -2.41 116.55 121.83 2uxy n ASP 294 Ca 0.00 -2.78 0.05 0.00 -0.50 0.00 0.00 54.79 51.56 2uxy n ASP 294 Cb 0.00 -0.32 0.07 0.00 -1.14 0.00 0.00 41.12 39.73 2uxy n ASP 294 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2uxy n ARG 295 N -1.13 0.99 0.00 0.11 1.74 -1.26 -4.99 116.66 112.11 2uxy n ARG 295 Ca 0.12 -1.32 0.00 0.00 -0.77 0.00 0.00 57.85 55.88 2uxy n ARG 295 Cb 0.54 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 2uxy n ARG 295 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2uxy n GLY 296 N 0.55 -0.75 3.61 -0.13 0.00 -1.26 -4.51 105.19 102.70 2uxy n GLY 296 Ca 0.07 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 2uxy n GLY 296 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uxy s LEU 297 N 0.00 3.64 -0.15 0.99 1.43 0.01 -4.74 118.68 119.87 2uxy s LEU 297 Ca 0.00 0.05 0.19 0.00 -1.03 0.00 0.00 54.13 53.34 2uxy s LEU 297 Cb 0.00 -1.89 -0.27 0.00 0.03 0.00 0.00 46.19 44.06 2uxy s LEU 297 CO 0.00 0.22 0.20 0.00 0.23 0.00 0.00 176.35 176.99 2uxy n ALA 298 N 3.24 1.85 -1.75 4.21 0.00 -1.25 -0.92 120.51 125.90 2uxy n ALA 298 Ca -0.17 -1.11 -0.42 0.00 0.00 0.00 0.00 53.44 51.74 2uxy n ALA 298 Cb 0.53 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 2uxy n ALA 298 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2uxy n GLU 299 N -2.63 2.55 -2.17 0.00 -0.58 -1.26 -4.86 120.64 111.69 2uxy n GLU 299 Ca -0.25 0.90 -0.43 0.00 -0.42 0.00 0.00 57.16 56.96 2uxy n GLU 299 Cb 1.00 -2.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.24 2uxy n GLU 299 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2uxy n PRO 301 N 6.99 2.05 -3.64 0.00 -0.04 -1.26 -4.80 135.00 134.29 2uxy n PRO 301 Ca 0.16 -1.61 -0.39 0.00 -0.04 0.00 0.00 63.50 61.63 2uxy n PRO 301 Cb 0.44 -1.40 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 2uxy n PRO 301 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2uxy s PHE 302 N -1.53 3.49 0.50 0.54 0.08 -1.26 -4.97 117.98 114.83 2uxy s PHE 302 Ca 0.33 -2.13 0.17 0.00 0.12 0.00 0.00 56.93 55.42 2uxy s PHE 302 Cb 0.18 -3.39 1.23 0.00 -0.57 0.00 0.00 43.02 40.46 2uxy s PHE 302 CO 0.25 -0.98 2.08 1.49 -0.10 0.00 0.00 175.22 177.96 2uxy h GLU 303 N 8.20 0.11 -0.54 0.44 4.81 -2.00 -1.83 114.58 123.77 2uxy h GLU 303 Ca -0.16 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2uxy h GLU 303 Cb 1.05 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.35 2uxy h GLU 303 CO 0.79 0.07 0.21 0.35 -0.73 0.00 0.00 179.01 179.70 2uxy h PHE 304 N 0.11 0.36 -0.34 0.92 3.57 -1.99 -0.05 116.94 119.52 2uxy h PHE 304 Ca 0.11 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.50 2uxy h PHE 304 Cb 0.30 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2uxy h PHE 304 CO -0.00 0.12 -0.33 1.88 -2.23 0.00 0.00 178.31 177.75 2uxy h TYR 305 N 0.39 0.89 -0.55 0.41 0.05 -1.77 0.17 116.97 116.56 2uxy h TYR 305 Ca 0.26 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 2uxy h TYR 305 Cb 0.28 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2uxy h TYR 305 CO -0.15 0.99 0.27 0.00 -1.05 0.00 0.00 178.16 178.21 2uxy h ARG 306 N 0.63 0.79 -0.35 4.88 3.08 -1.23 -1.42 114.38 120.77 2uxy h ARG 306 Ca 0.07 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 2uxy h ARG 306 Cb 0.87 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2uxy h ARG 306 CO 0.08 0.64 -0.23 1.15 -1.07 0.00 0.00 179.97 180.54 2uxy h THR 307 N 0.75 1.29 -0.61 2.04 2.02 -0.82 -1.62 112.91 115.96 2uxy h THR 307 Ca 0.19 -1.38 0.04 0.00 0.77 0.00 0.00 66.41 66.03 2uxy h THR 307 Cb 0.11 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2uxy h THR 307 CO -0.03 0.45 0.36 -0.25 0.37 0.00 0.00 175.52 176.42 2uxy h TRP 308 N 0.56 0.66 -0.22 3.16 7.01 -0.82 0.40 115.95 126.72 2uxy h TRP 308 Ca 0.07 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.99 2uxy h TRP 308 Cb 0.79 -0.21 -0.00 0.00 -2.10 0.00 0.00 29.16 27.64 2uxy h TRP 308 CO 0.06 0.36 -0.28 0.28 -2.79 0.00 0.00 178.44 176.07 2uxy h VAL 309 N 0.69 1.33 0.00 2.65 2.07 -1.18 -3.02 116.25 118.79 2uxy h VAL 309 Ca 0.26 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2uxy h VAL 309 Cb 0.08 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2uxy h VAL 309 CO -0.13 0.46 -1.09 0.35 0.02 0.00 0.00 177.57 177.18 2uxy n THR 310 N -4.34 0.53 -2.85 2.57 -2.24 -0.62 -4.62 114.28 102.71 2uxy n THR 310 Ca -0.05 -0.52 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 2uxy n THR 310 Cb 0.46 -0.27 0.03 0.00 -2.10 0.00 0.00 70.33 68.44 2uxy n THR 310 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2uxy n ASP 311 N -2.58 -2.10 -0.12 3.42 4.64 0.14 -5.01 116.55 114.93 2uxy n ASP 311 Ca -0.00 -3.21 0.09 0.00 -1.38 0.00 0.00 54.79 50.30 2uxy n ASP 311 Cb 0.54 1.25 0.43 0.00 -1.04 0.00 0.00 41.12 42.31 2uxy n ASP 311 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2uxy h ALA 312 N 3.88 1.87 -0.54 -1.67 0.00 -1.55 -1.61 119.26 119.65 2uxy h ALA 312 Ca -0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2uxy h ALA 312 Cb 1.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2uxy h ALA 312 CO 0.34 0.01 0.07 0.93 0.00 0.00 0.00 179.25 180.61 2uxy h GLU 313 N 0.56 0.86 -0.54 0.00 4.39 -1.90 -0.29 114.58 117.67 2uxy h GLU 313 Ca 0.29 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.67 2uxy h GLU 313 Cb 0.41 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2uxy h GLU 313 CO -0.09 0.81 -0.13 -0.22 -1.16 0.00 0.00 179.01 178.22 2uxy h LYS 314 N 0.81 1.04 -0.85 2.33 1.63 -1.68 -1.17 116.57 118.68 2uxy h LYS 314 Ca 0.17 -0.40 0.05 0.00 -0.85 0.00 0.00 60.65 59.62 2uxy h LYS 314 Cb 0.38 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 2uxy h LYS 314 CO 0.01 1.09 0.53 0.00 -3.45 0.00 0.00 179.45 177.63 2uxy h ALA 315 N 0.92 1.14 -0.26 5.00 0.00 -0.83 0.23 119.26 125.46 2uxy h ALA 315 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2uxy h ALA 315 Cb 0.71 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2uxy h ALA 315 CO 0.05 0.32 0.06 -0.09 0.00 0.00 0.00 179.25 179.59 2uxy h ARG 316 N 1.00 0.42 -0.93 0.00 2.43 -0.90 -1.57 114.38 114.84 2uxy h ARG 316 Ca 0.36 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2uxy h ARG 316 Cb 0.10 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 2uxy h ARG 316 CO -0.15 0.52 0.59 0.93 -1.51 0.00 0.00 179.97 180.35 2uxy h GLU 317 N 0.25 1.24 -0.70 0.20 4.39 -0.85 -1.32 114.58 117.78 2uxy h GLU 317 Ca 0.08 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2uxy h GLU 317 Cb 0.29 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2uxy h GLU 317 CO 0.00 0.84 0.35 -0.91 -1.16 0.00 0.00 179.01 178.13 2uxy h ASN 318 N 1.26 0.91 0.63 1.42 2.35 -0.74 -2.67 115.58 118.76 2uxy h ASN 318 Ca 0.34 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 2uxy h ASN 318 Cb -0.11 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 2uxy h ASN 318 CO -0.07 0.78 -0.63 1.62 -1.65 0.00 0.00 177.43 177.49 2uxy h VAL 319 N 0.98 1.44 -0.49 2.81 3.04 -0.82 -2.53 116.25 120.68 2uxy h VAL 319 Ca 0.24 -2.15 0.00 0.00 -1.01 0.00 0.00 66.70 63.79 2uxy h VAL 319 Cb 0.11 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 2uxy h VAL 319 CO -0.03 0.61 0.32 -0.33 -1.01 0.00 0.00 177.57 177.13 2uxy h GLU 320 N 0.00 0.64 0.00 4.17 5.08 -0.97 -1.20 114.58 122.30 2uxy h GLU 320 Ca -0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2uxy h GLU 320 Cb 1.11 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2uxy h GLU 320 CO 0.08 0.42 -0.14 0.00 -1.00 0.00 0.00 179.01 178.38 2uxy h ARG 321 N 0.66 0.00 0.00 2.33 3.08 -1.12 -2.71 114.38 116.62 2uxy h ARG 321 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2uxy h ARG 321 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2uxy h ARG 321 CO -0.04 0.14 -0.97 -0.11 -1.07 0.00 0.00 179.97 177.92 2uxy n LEU 322 N -3.60 0.67 0.00 3.04 7.94 -0.54 -4.86 117.00 119.63 2uxy n LEU 322 Ca -0.01 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2uxy n LEU 322 Cb 0.27 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.12 2uxy n LEU 322 CO 0.31 -0.05 0.00 0.35 -1.11 0.00 0.00 177.39 176.88 2uxy n THR 323 N -2.22 0.00 -3.77 1.96 -2.24 -0.66 -5.12 114.28 102.23 2uxy n THR 323 Ca 0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.70 2uxy n THR 323 Cb 0.48 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 2uxy n THR 323 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uxy s ARG 324 N 0.15 1.37 0.00 -0.78 1.70 -1.05 -5.03 118.95 115.32 2uxy s ARG 324 Ca 0.00 -0.92 0.23 0.00 -0.47 0.00 0.00 55.73 54.57 2uxy s ARG 324 Cb 0.00 0.51 0.06 0.00 -0.57 0.00 0.00 34.95 34.94 2uxy s ARG 324 CO 0.00 -0.58 1.10 0.43 -1.08 0.00 0.00 175.30 175.18 2uxy n SER 325 N -0.33 0.97 -4.42 -2.89 7.64 -1.26 -4.39 113.62 108.95 2uxy n SER 325 Ca -0.09 -0.84 -0.28 0.00 1.01 0.00 0.00 58.87 58.66 2uxy n SER 325 Cb 0.62 0.68 -0.12 0.00 -1.01 0.00 0.00 64.21 64.38 2uxy n SER 325 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2uxy s THR 326 N -2.91 2.43 0.23 0.44 -4.23 -1.26 -5.04 115.64 105.30 2uxy s THR 326 Ca 0.11 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.83 2uxy s THR 326 Cb 0.17 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.91 2uxy s THR 326 CO 0.77 0.03 1.63 0.71 -0.54 0.00 0.00 174.62 177.22 2uxy h THR 327 N 3.60 1.29 -4.41 3.99 1.35 -1.92 -3.44 112.91 113.36 2uxy h THR 327 Ca -0.49 -1.47 -0.50 0.00 -0.55 0.00 0.00 66.41 63.39 2uxy h THR 327 Cb 1.18 1.46 0.07 0.00 -1.73 0.00 0.00 68.15 69.13 2uxy h THR 327 CO 0.43 0.47 0.42 -0.83 -0.25 0.00 0.00 175.52 175.75 2uxy s GLY 328 N -4.01 1.65 -0.18 5.82 0.00 0.18 -4.95 107.32 105.82 2uxy s GLY 328 Ca -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2uxy s GLY 328 CO 0.82 0.12 -0.11 0.14 0.00 0.00 0.00 173.10 174.07 2uxy s VAL 329 N -3.26 1.53 0.37 1.40 1.01 -1.26 -4.59 120.40 115.60 2uxy s VAL 329 Ca 0.57 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2uxy s VAL 329 Cb -0.11 -1.56 0.21 0.00 0.00 0.00 0.00 36.38 34.92 2uxy s VAL 329 CO 0.53 0.26 1.97 0.00 0.00 0.00 0.00 175.10 177.86 2uxy h ALA 330 N 8.02 1.54 -0.00 5.51 0.00 -1.92 -1.49 119.26 130.92 2uxy h ALA 330 Ca -0.31 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2uxy h ALA 330 Cb 1.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2uxy h ALA 330 CO 0.48 0.36 0.00 1.04 0.00 0.00 0.00 179.25 181.13 2uxy n GLN 331 N -4.38 1.01 -2.76 0.00 6.02 -1.26 -4.27 117.38 111.74 2uxy n GLN 331 Ca 0.02 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 2uxy n GLN 331 Cb 0.15 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.95 2uxy n GLN 331 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2uxy s PRO 333 N 0.69 3.93 -0.06 0.00 0.02 -0.94 -4.45 135.00 134.19 2uxy s PRO 333 Ca 0.32 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.76 2uxy s PRO 333 Cb 0.21 -2.81 0.02 0.00 0.02 0.00 0.00 34.50 31.94 2uxy s PRO 333 CO -0.23 -0.62 -0.05 0.08 -0.33 0.00 0.00 177.00 175.85 2uxy s VAL 334 N -1.18 0.65 0.00 3.83 1.01 -1.26 -5.04 120.40 118.41 2uxy s VAL 334 Ca 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2uxy s VAL 334 Cb -0.43 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2uxy s VAL 334 CO 0.57 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.54 2uxy n GLY 335 N 4.24 2.57 1.33 4.51 0.00 -1.26 -2.35 105.19 114.23 2uxy n GLY 335 Ca -0.21 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 2uxy n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uxy n ARG 336 N 12.29 2.03 -1.94 1.61 5.12 -1.26 -5.01 116.66 129.50 2uxy n ARG 336 Ca 0.00 -3.28 -0.41 0.00 -1.93 0.00 0.00 57.85 52.23 2uxy n ARG 336 Cb 0.00 -1.89 -0.01 0.00 -1.16 0.00 0.00 32.46 29.40 2uxy n ARG 336 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2uxy s LEU 337 N -3.32 4.37 0.45 0.55 1.43 -0.99 -4.96 118.68 116.21 2uxy s LEU 337 Ca 0.47 2.85 -0.23 0.00 -1.03 0.00 0.00 54.13 56.19 2uxy s LEU 337 Cb 0.42 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.91 2uxy s LEU 337 CO 0.00 -0.74 1.11 -2.16 0.23 0.00 0.00 176.35 174.79 2uxy s PRO 338 N -1.50 3.88 0.18 1.29 0.04 -1.26 -4.53 135.00 133.11 2uxy s PRO 338 Ca 0.54 1.63 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 2uxy s PRO 338 Cb -0.44 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 31.73 2uxy s PRO 338 CO 0.54 -0.41 0.46 1.52 0.04 0.00 0.00 177.00 179.15 2uxy s TYR 339 N -1.64 -0.02 -0.11 0.56 -0.85 -1.26 -0.65 117.35 113.37 2uxy s TYR 339 Ca 0.62 -0.33 -0.29 0.00 -0.52 0.00 0.00 57.07 56.55 2uxy s TYR 339 Cb -0.25 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 2uxy s TYR 339 CO 0.30 -0.85 1.55 -1.21 -1.52 0.00 0.00 175.55 173.82 2uxy s GLU 340 N -3.89 4.12 0.00 -3.49 2.02 -1.26 -5.01 118.70 111.20 2uxy s GLU 340 Ca 0.10 1.96 0.00 0.00 0.02 0.00 0.00 54.97 57.05 2uxy s GLU 340 Cb 0.00 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.29 2uxy s GLU 340 CO -0.03 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.76