#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tws s TRP 3 N 0.00 3.55 -0.75 5.64 0.52 -1.26 -4.93 118.94 121.70 1tws s TRP 3 Ca 0.00 1.57 0.12 0.00 0.02 0.00 0.00 56.10 57.81 1tws s TRP 3 Cb 0.00 -3.13 0.60 0.00 -1.15 0.00 0.00 33.47 29.79 1tws s TRP 3 CO 0.00 -0.15 1.45 -0.40 0.02 0.00 0.00 176.95 177.87 1tws n ASP 4 N 4.64 4.30 -3.87 2.95 3.85 -1.26 -4.87 116.55 122.29 1tws n ASP 4 Ca 0.07 -2.56 -0.09 0.00 -0.71 0.00 0.00 54.79 51.49 1tws n ASP 4 Cb 0.50 -0.59 -0.06 0.00 -1.35 0.00 0.00 41.12 39.61 1tws n ASP 4 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 1tws s TYR 5 N -2.12 0.20 0.32 2.11 -0.85 -1.26 -5.17 117.35 110.58 1tws s TYR 5 Ca 0.41 -0.57 0.07 0.00 -0.52 0.00 0.00 57.07 56.46 1tws s TYR 5 Cb 0.29 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.67 1tws s TYR 5 CO 0.15 -0.73 0.35 -0.51 -1.52 0.00 0.00 175.55 173.28 1tws s ASP 6 N -2.92 5.63 -0.31 -0.18 1.01 -1.26 -4.60 116.67 114.04 1tws s ASP 6 Ca 0.12 -0.32 -0.21 0.00 0.71 0.00 0.00 52.55 52.86 1tws s ASP 6 Cb 0.03 -1.18 -0.01 0.00 1.01 0.00 0.00 42.92 42.77 1tws s ASP 6 CO -0.03 -0.32 0.67 -0.76 0.21 0.00 0.00 175.17 174.94 1tws s LEU 7 N -4.04 4.14 -0.22 1.23 1.43 -0.55 -4.95 118.68 115.73 1tws s LEU 7 Ca 0.41 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.77 1tws s LEU 7 Cb -0.08 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 1tws s LEU 7 CO 0.28 -0.52 0.61 -0.13 0.23 0.00 0.00 176.35 176.83 1tws s ARG 8 N 2.70 4.17 -0.45 1.70 1.81 -1.26 -0.71 118.95 126.90 1tws s ARG 8 Ca 0.27 0.56 0.09 0.00 -1.72 0.00 0.00 55.73 54.93 1tws s ARG 8 Cb -0.15 -3.60 0.31 0.00 -0.45 0.00 0.00 34.95 31.06 1tws s ARG 8 CO 0.12 -0.30 0.73 0.00 -0.68 0.00 0.00 175.30 175.18 1tws n GLY 10 N 0.48 3.07 0.00 0.00 0.00 -1.26 -1.82 105.19 105.66 1tws n GLY 10 Ca 0.26 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1tws n GLY 10 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1tws n GLU 11 N 12.00 0.06 -4.13 1.61 0.28 -1.26 -4.81 120.64 124.39 1tws n GLU 11 Ca 0.00 0.07 -0.33 0.00 -0.16 0.00 0.00 57.16 56.74 1tws n GLU 11 Cb 0.00 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.30 1tws n GLU 11 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1tws s TYR 12 N -2.93 3.23 -0.06 -1.84 1.51 -0.76 -5.11 117.35 111.40 1tws s TYR 12 Ca 0.14 0.16 0.04 0.00 -1.01 0.00 0.00 57.07 56.40 1tws s TYR 12 Cb 0.17 -1.71 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1tws s TYR 12 CO 0.45 0.53 -0.18 0.99 -1.11 0.00 0.00 175.55 176.22 1tws s THR 13 N -1.20 1.55 -0.25 -0.71 2.01 -1.26 -0.33 115.64 115.45 1tws s THR 13 Ca 0.23 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 1tws s THR 13 Cb -0.12 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.06 1tws s THR 13 CO 0.14 0.44 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.74 1tws s LEU 14 N 0.17 3.30 -0.03 4.42 1.43 0.11 -4.99 118.68 123.10 1tws s LEU 14 Ca -0.08 -0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 1tws s LEU 14 Cb -0.14 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1tws s LEU 14 CO 0.04 -0.12 1.05 0.21 0.23 0.00 0.00 176.35 177.76 1tws s ASN 15 N 1.42 7.25 0.05 2.29 3.84 -1.26 -1.48 114.94 127.05 1tws s ASN 15 Ca 0.02 1.69 0.24 0.00 0.21 0.00 0.00 52.86 55.03 1tws s ASN 15 Cb -0.16 -2.57 0.39 0.00 -0.55 0.00 0.00 41.25 38.37 1tws s ASN 15 CO -0.02 -0.39 1.33 0.18 -2.79 0.00 0.00 177.10 175.41 1tws n LEU 16 N 4.42 0.58 -0.09 3.21 4.77 -1.26 -4.28 117.00 124.35 1tws n LEU 16 Ca 0.08 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 1tws n LEU 16 Cb 0.49 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.21 1tws n LEU 16 CO 0.53 0.05 -1.10 0.59 -1.33 0.00 0.00 177.39 176.13 1tws n ASN 17 N -1.77 0.01 -0.14 -1.43 3.02 -1.26 -4.61 115.26 109.08 1tws n ASN 17 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.49 1tws n ASN 17 Cb 0.38 1.12 0.02 0.00 -0.61 0.00 0.00 39.78 40.70 1tws n ASN 17 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1tws h GLU 18 N 0.00 0.94 -2.23 3.52 9.09 -1.93 -3.47 114.58 120.49 1tws h GLU 18 Ca -0.47 -0.41 0.09 0.00 0.05 0.00 0.00 59.36 58.62 1tws h GLU 18 Cb 2.08 -0.03 -0.16 0.00 -1.65 0.00 0.00 28.75 28.99 1tws h GLU 18 CO 0.03 1.07 0.48 -1.59 0.05 0.00 0.00 179.01 179.04 1tws s LYS 19 N -4.62 0.83 0.27 1.06 -2.85 -1.26 -4.92 119.74 108.24 1tws s LYS 19 Ca -0.11 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.32 1tws s LYS 19 Cb 0.12 0.38 -0.10 0.00 -2.06 0.00 0.00 37.83 36.18 1tws s LYS 19 CO 0.86 -0.35 1.35 0.99 0.10 0.00 0.00 175.35 178.31 1tws s THR 20 N -2.88 2.83 -0.10 3.79 2.01 -1.26 -4.86 115.64 115.18 1tws s THR 20 Ca 0.04 0.74 -0.15 0.00 0.31 0.00 0.00 61.69 62.63 1tws s THR 20 Cb -0.01 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 1tws s THR 20 CO -0.08 0.14 0.36 -0.76 -0.69 0.00 0.00 174.62 173.59 1tws s LEU 21 N -0.83 4.34 -0.29 4.42 1.43 0.04 -4.97 118.68 122.83 1tws s LEU 21 Ca 0.55 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 1tws s LEU 21 Cb -0.40 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 1tws s LEU 21 CO 0.45 0.18 0.22 -0.63 0.23 0.00 0.00 176.35 176.80 1tws s ILE 22 N -0.12 5.29 -0.35 -0.59 -1.09 -1.26 -1.13 121.20 121.95 1tws s ILE 22 Ca 0.21 0.19 -0.14 0.00 -2.23 0.00 0.00 60.65 58.68 1tws s ILE 22 Cb -0.15 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1tws s ILE 22 CO 0.08 0.20 0.28 -0.32 -1.23 0.00 0.00 174.94 173.96 1tws s MET 23 N 1.81 3.48 -0.04 2.79 -2.45 0.84 -0.79 119.30 124.95 1tws s MET 23 Ca 0.08 -0.60 -0.22 0.00 -1.25 0.00 0.00 55.69 53.71 1tws s MET 23 Cb -0.16 -3.82 -0.05 0.00 1.25 0.00 0.00 34.83 32.05 1tws s MET 23 CO 0.11 -0.49 0.63 0.20 1.05 0.00 0.00 175.02 176.52 1tws s GLY 24 N 1.73 2.60 -0.33 2.11 0.00 0.12 -0.61 107.32 112.93 1tws s GLY 24 Ca 0.08 0.06 -0.21 0.00 0.00 0.00 0.00 44.72 44.64 1tws s GLY 24 CO 0.11 0.93 0.68 -0.42 0.00 0.00 0.00 173.10 174.40 1tws s ILE 25 N 0.27 4.86 -0.25 0.90 1.01 -0.67 -0.79 121.20 126.54 1tws s ILE 25 Ca 0.33 0.81 -0.15 0.00 0.00 0.00 0.00 60.65 61.64 1tws s ILE 25 Cb -0.18 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1tws s ILE 25 CO 0.17 -0.27 0.38 -0.22 0.00 0.00 0.00 174.94 175.00 1tws s LEU 26 N 2.78 4.07 0.34 2.97 0.20 0.10 -4.84 118.68 124.31 1tws s LEU 26 Ca 0.27 0.35 0.08 0.00 0.69 0.00 0.00 54.13 55.52 1tws s LEU 26 Cb -0.14 -2.45 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 1tws s LEU 26 CO 0.14 -0.16 0.23 0.20 -0.29 0.00 0.00 176.35 176.47 1tws s ASN 27 N 1.48 4.99 0.19 3.68 0.01 -1.26 -2.95 114.94 121.08 1tws s ASN 27 Ca 0.16 -0.64 0.00 0.00 -0.71 0.00 0.00 52.86 51.66 1tws s ASN 27 Cb -0.15 -0.83 0.00 0.00 0.41 0.00 0.00 41.25 40.68 1tws s ASN 27 CO 0.09 -0.35 0.00 -1.54 -1.51 0.00 0.00 177.10 173.79 1tws n SER 34 N -1.29 -2.47 0.08 -1.22 3.41 -1.26 -4.97 113.62 105.91 1tws n SER 34 Ca -0.02 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.20 1tws n SER 34 Cb 0.61 -2.60 0.46 0.00 -0.26 0.00 0.00 64.21 62.41 1tws n SER 34 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tws n ASP 35 N -3.21 0.57 0.00 4.04 8.00 -1.26 -4.99 116.55 119.69 1tws n ASP 35 Ca -0.02 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1tws n ASP 35 Cb 0.20 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 1tws n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tws n GLY 36 N 0.98 4.22 1.62 0.44 0.00 -1.26 -3.91 105.19 107.28 1tws n GLY 36 Ca 0.05 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1tws n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tws n GLY 37 N -1.76 0.77 3.71 -0.02 0.00 -1.25 -4.85 105.19 101.79 1tws n GLY 37 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1tws n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tws s SER 38 N -2.67 3.97 0.10 1.61 0.01 -1.26 -4.86 113.70 110.61 1tws s SER 38 Ca 0.00 2.47 -0.17 0.00 1.31 0.00 0.00 55.95 59.56 1tws s SER 38 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1tws s SER 38 CO 0.00 -2.42 1.58 0.22 0.41 0.00 0.00 173.24 173.03 1tws h TYR 39 N -0.35 0.55 -0.50 2.43 3.20 -1.98 -1.66 116.97 118.66 1tws h TYR 39 Ca -0.48 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.20 1tws h TYR 39 Cb 1.31 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1tws h TYR 39 CO 0.45 0.60 -0.12 -0.91 -1.64 0.00 0.00 178.16 176.54 1tws h ASN 40 N 0.34 0.94 0.30 -2.11 2.35 -1.98 0.34 115.58 115.75 1tws h ASN 40 Ca 0.09 -0.31 -0.31 0.00 -0.55 0.00 0.00 56.30 55.23 1tws h ASN 40 Cb 0.35 -0.26 0.03 0.00 0.05 0.00 0.00 38.32 38.50 1tws h ASN 40 CO 0.01 1.06 -1.36 1.05 -1.65 0.00 0.00 177.43 176.54 1tws h GLU 41 N 0.84 0.51 -0.40 0.81 4.11 -1.95 -2.23 114.58 116.27 1tws h GLU 41 Ca 0.13 -0.81 -0.15 0.00 0.07 0.00 0.00 59.36 58.61 1tws h GLU 41 Cb 0.66 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1tws h GLU 41 CO 0.05 1.38 -0.34 0.28 0.07 0.00 0.00 179.01 180.44 1tws h VAL 42 N 0.17 1.27 -0.76 -1.06 2.07 -1.25 -2.53 116.25 114.16 1tws h VAL 42 Ca -0.21 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 1tws h VAL 42 Cb 2.05 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 33.11 1tws h VAL 42 CO 0.25 0.51 0.44 -0.78 0.02 0.00 0.00 177.57 178.00 1tws h ASP 43 N 0.76 0.94 -0.68 0.57 3.58 -0.98 -1.59 116.42 119.01 1tws h ASP 43 Ca 0.07 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 1tws h ASP 43 Cb 0.92 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.70 1tws h ASP 43 CO 0.09 0.75 0.26 0.00 -2.88 0.00 0.00 179.24 177.46 1tws h ALA 44 N 1.23 1.14 -0.58 -0.78 0.00 -1.33 -1.34 119.26 117.60 1tws h ALA 44 Ca 0.27 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1tws h ALA 44 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1tws h ALA 44 CO -0.05 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 1tws h ALA 45 N 1.26 0.78 -0.23 0.00 0.00 -1.14 -1.59 119.26 118.35 1tws h ALA 45 Ca 0.23 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1tws h ALA 45 Cb 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tws h ALA 45 CO -0.02 0.62 -0.19 0.28 0.00 0.00 0.00 179.25 179.94 1tws h VAL 46 N 0.92 1.32 -0.34 0.00 2.07 -0.98 -2.00 116.25 117.23 1tws h VAL 46 Ca 0.16 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1tws h VAL 46 Cb 0.55 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1tws h VAL 46 CO 0.03 0.41 0.21 0.03 0.02 0.00 0.00 177.57 178.27 1tws h ARG 47 N 0.23 0.46 -0.62 1.57 3.08 -1.21 -0.50 114.38 117.40 1tws h ARG 47 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tws h ARG 47 Cb 0.73 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1tws h ARG 47 CO 0.05 0.34 0.40 1.25 -1.07 0.00 0.00 179.97 180.94 1tws h HIS 48 N 0.45 0.79 -0.32 3.04 2.76 -1.28 -0.65 115.15 119.93 1tws h HIS 48 Ca 0.12 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 1tws h HIS 48 Cb -0.00 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 1tws h HIS 48 CO -0.04 0.51 -0.08 0.00 -1.30 0.00 0.00 177.93 177.01 1tws h ALA 49 N 1.22 1.26 -0.22 5.26 0.00 -0.96 -0.70 119.26 125.11 1tws h ALA 49 Ca 0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1tws h ALA 49 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1tws h ALA 49 CO -0.05 0.49 -0.04 0.87 0.00 0.00 0.00 179.25 180.53 1tws h LYS 50 N 0.50 0.41 -0.49 0.00 1.57 -0.68 -1.13 116.57 116.76 1tws h LYS 50 Ca 0.10 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1tws h LYS 50 Cb 0.45 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.67 1tws h LYS 50 CO 0.02 0.64 0.12 1.49 -0.57 0.00 0.00 179.45 181.15 1tws h GLU 51 N 0.15 0.26 -0.42 3.15 4.81 -0.64 -0.29 114.58 121.60 1tws h GLU 51 Ca 0.06 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 1tws h GLU 51 Cb 0.48 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1tws h GLU 51 CO 0.02 0.17 -0.27 0.52 -0.73 0.00 0.00 179.01 178.72 1tws h MET 52 N 0.26 0.89 -0.38 1.92 2.86 -1.06 -1.10 114.93 118.32 1tws h MET 52 Ca 0.24 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1tws h MET 52 Cb 0.30 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1tws h MET 52 CO -0.30 1.04 0.16 -0.09 1.06 0.00 0.00 176.91 178.78 1tws h ARG 53 N 0.76 0.32 0.00 1.72 1.12 -1.00 -0.96 114.38 116.34 1tws h ARG 53 Ca 0.09 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.91 1tws h ARG 53 Cb 0.82 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.70 1tws h ARG 53 CO 0.07 0.21 -0.15 -0.44 -3.11 0.00 0.00 179.97 176.55 1tws h ASP 54 N 0.33 0.00 -0.13 -3.80 3.32 -0.42 -2.55 116.42 113.17 1tws h ASP 54 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1tws h ASP 54 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1tws h ASP 54 CO -0.15 0.15 0.00 -0.62 -1.72 0.00 0.00 179.24 176.91 1tws n GLU 55 N -4.15 1.73 0.00 3.56 -0.58 -0.47 -4.93 120.64 115.80 1tws n GLU 55 Ca -0.02 -1.09 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 1tws n GLU 55 Cb 0.23 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1tws n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tws n GLY 56 N 1.15 1.45 3.78 0.62 0.00 -0.96 -4.24 105.19 106.99 1tws n GLY 56 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1tws n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tws s ALA 57 N -2.00 3.17 -0.03 4.61 0.00 -0.41 -4.72 121.76 122.38 1tws s ALA 57 Ca 0.00 0.59 0.14 0.00 0.00 0.00 0.00 51.96 52.69 1tws s ALA 57 Cb 0.00 -3.22 -0.21 0.00 0.00 0.00 0.00 23.12 19.69 1tws s ALA 57 CO 0.00 0.03 0.29 0.72 0.00 0.00 0.00 175.76 176.79 1tws n HIS 58 N 0.29 0.00 -3.90 0.00 8.25 0.03 -4.67 115.22 115.22 1tws n HIS 58 Ca 0.03 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.38 1tws n HIS 58 Cb 0.50 -0.34 -0.13 0.00 1.12 0.00 0.00 29.99 31.14 1tws n HIS 58 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1tws s ILE 59 N -2.91 0.03 -0.22 1.59 1.01 -0.94 -4.11 121.20 115.65 1tws s ILE 59 Ca -0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1tws s ILE 59 Cb 0.08 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.44 1tws s ILE 59 CO 0.57 -0.16 0.01 -0.63 0.00 0.00 0.00 174.94 174.73 1tws s ILE 60 N -0.46 3.91 -0.22 2.92 -1.09 -0.80 -0.71 121.20 124.75 1tws s ILE 60 Ca -0.05 -0.32 -0.07 0.00 -2.23 0.00 0.00 60.65 57.98 1tws s ILE 60 Cb -0.03 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1tws s ILE 60 CO -0.00 0.40 0.05 -0.62 -1.23 0.00 0.00 174.94 173.54 1tws s ASP 61 N 1.31 5.19 -0.16 3.58 3.68 0.03 -0.85 116.67 129.45 1tws s ASP 61 Ca 0.04 -0.14 0.01 0.00 2.13 0.00 0.00 52.55 54.59 1tws s ASP 61 Cb -0.15 -1.91 0.01 0.00 -1.45 0.00 0.00 42.92 39.42 1tws s ASP 61 CO 0.01 0.04 -0.18 -0.63 0.13 0.00 0.00 175.17 174.54 1tws s ILE 62 N 1.18 2.33 0.00 4.11 1.01 -0.07 -0.72 121.20 129.05 1tws s ILE 62 Ca 0.04 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1tws s ILE 62 Cb -0.14 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1tws s ILE 62 CO 0.03 0.53 -0.24 -0.83 0.00 0.00 0.00 174.94 174.43 1tws s GLY 63 N 1.03 1.21 0.00 6.18 0.00 -1.15 -1.01 107.32 113.57 1tws s GLY 63 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.62 1tws s GLY 63 CO -0.05 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.73 1tws n GLY 64 N 2.26 -0.94 0.16 0.20 0.00 -1.26 -4.81 105.19 100.80 1tws n GLY 64 Ca -0.16 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.07 1tws n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tws h GLU 65 N 0.00 0.47 -0.08 1.61 5.08 -1.93 -3.32 114.58 116.40 1tws h GLU 65 Ca 0.00 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1tws h GLU 65 Cb 0.00 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1tws h GLU 65 CO 0.00 1.04 0.20 1.03 -1.00 0.00 0.00 179.01 180.28 1tws h SER 66 N 0.03 0.00 -1.68 1.42 0.87 -1.84 -3.01 113.55 109.33 1tws h SER 66 Ca -0.04 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.08 1tws h SER 66 Cb 1.16 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1tws h SER 66 CO 0.10 0.00 -0.32 -0.89 -0.53 0.00 0.00 176.83 175.19 1tws s THR 67 N -4.33 3.67 -0.88 2.23 2.01 -1.25 -4.34 115.64 112.75 1tws s THR 67 Ca -0.04 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.63 1tws s THR 67 Cb 0.12 -3.26 -0.19 0.00 0.01 0.00 0.00 72.50 69.19 1tws s THR 67 CO 0.42 -0.11 2.63 -2.11 -0.69 0.00 0.00 174.62 174.76 1tws n ARG 68 N -1.69 0.24 -0.01 4.92 1.85 -1.26 -3.04 116.66 117.67 1tws n ARG 68 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 57.85 56.85 1tws n ARG 68 Cb 0.59 -1.95 -0.01 0.00 -1.05 0.00 0.00 32.46 30.04 1tws n ARG 68 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1tws n PRO 69 N 8.58 0.06 0.06 2.89 -0.05 -1.26 -4.95 135.00 140.32 1tws n PRO 69 Ca 0.59 0.02 0.11 0.00 -0.05 0.00 0.00 63.50 64.18 1tws n PRO 69 Cb 0.15 -0.82 0.02 0.00 -0.05 0.00 0.00 33.50 32.81 1tws n PRO 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1tws n GLY 70 N 3.12 -1.32 2.70 0.55 0.00 -1.24 -4.99 105.19 104.01 1tws n GLY 70 Ca -0.05 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1tws n GLY 70 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tws n PHE 71 N -2.27 -1.53 -0.78 1.61 3.01 -1.17 -4.93 117.46 111.40 1tws n PHE 71 Ca 0.01 0.15 -0.31 0.00 1.01 0.00 0.00 57.45 58.31 1tws n PHE 71 Cb 0.49 -2.97 0.16 0.00 -0.01 0.00 0.00 39.48 37.15 1tws n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1tws s ALA 72 N -2.74 1.43 0.85 4.37 0.00 -1.14 -4.88 121.76 119.65 1tws s ALA 72 Ca 0.12 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 1tws s ALA 72 Cb -0.06 -3.40 0.10 0.00 0.00 0.00 0.00 23.12 19.76 1tws s ALA 72 CO 0.14 -2.70 1.11 0.15 0.00 0.00 0.00 175.76 174.47 1tws s LYS 73 N -4.68 1.65 0.00 0.00 1.02 -1.26 -3.89 119.74 112.58 1tws s LYS 73 Ca 0.66 0.51 0.00 0.00 0.02 0.00 0.00 55.97 57.16 1tws s LYS 73 Cb -0.22 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1tws s LYS 73 CO 0.58 -1.89 0.00 1.33 -0.92 0.00 0.00 175.35 174.45 1tws n VAL 74 N -3.60 0.00 -1.99 3.17 0.24 -1.26 -4.71 118.33 110.18 1tws n VAL 74 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1tws n VAL 74 Cb 0.57 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 1tws n VAL 74 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1tws n SER 75 N 0.00 -5.65 0.23 -1.34 2.88 -1.26 -4.40 113.62 104.08 1tws n SER 75 Ca 0.00 1.35 0.07 0.00 -1.33 0.00 0.00 58.87 58.96 1tws n SER 75 Cb 0.00 -3.76 0.58 0.00 -0.75 0.00 0.00 64.21 60.28 1tws n SER 75 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1tws h VAL 76 N 4.01 1.05 -0.43 2.46 -1.51 -1.98 -1.79 116.25 118.06 1tws h VAL 76 Ca 0.00 -0.21 -0.12 0.00 -1.23 0.00 0.00 66.70 65.14 1tws h VAL 76 Cb 0.00 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 1tws h VAL 76 CO 0.00 0.06 -0.20 -0.33 -1.23 0.00 0.00 177.57 175.87 1tws h GLU 77 N 0.03 0.89 0.00 5.19 3.07 -1.99 0.57 114.58 122.35 1tws h GLU 77 Ca 0.01 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 1tws h GLU 77 Cb 0.10 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1tws h GLU 77 CO 0.01 1.04 0.00 0.93 -1.40 0.00 0.00 179.01 179.58 1tws h GLU 78 N 0.72 0.00 0.09 2.33 5.08 -1.70 -1.79 114.58 119.30 1tws h GLU 78 Ca 0.10 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.17 1tws h GLU 78 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1tws h GLU 78 CO 0.06 0.00 -1.41 1.49 -1.00 0.00 0.00 179.01 178.15 1tws h GLU 79 N 0.00 0.19 -0.24 2.33 4.81 -1.09 -3.23 114.58 117.34 1tws h GLU 79 Ca 0.00 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.85 1tws h GLU 79 Cb 0.71 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1tws h GLU 79 CO 0.00 1.05 -0.10 0.82 -0.73 0.00 0.00 179.01 180.06 1tws h ILE 80 N 0.05 1.30 0.00 2.32 2.04 -0.71 -1.93 117.51 120.58 1tws h ILE 80 Ca -0.19 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1tws h ILE 80 Cb 1.97 1.55 -0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1tws h ILE 80 CO 0.16 0.36 -0.03 0.11 0.00 0.00 0.00 178.15 178.75 1tws h LYS 81 N 0.21 0.00 0.15 2.37 1.57 -1.45 -0.31 116.57 119.12 1tws h LYS 81 Ca 0.06 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.53 1tws h LYS 81 Cb 0.59 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1tws h LYS 81 CO 0.03 0.03 -1.50 0.00 -0.57 0.00 0.00 179.45 177.44 1tws h ARG 82 N 0.00 0.32 0.16 3.15 3.08 -1.56 -3.31 114.38 116.22 1tws h ARG 82 Ca -0.00 -0.55 -0.33 0.00 0.07 0.00 0.00 59.98 59.16 1tws h ARG 82 Cb 0.05 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1tws h ARG 82 CO 0.00 1.27 -1.68 -0.24 -1.07 0.00 0.00 179.97 178.25 1tws h VAL 83 N -0.13 1.00 -0.37 2.04 3.04 -0.85 -3.36 116.25 117.63 1tws h VAL 83 Ca -0.30 -2.62 -0.01 0.00 -1.01 0.00 0.00 66.70 62.76 1tws h VAL 83 Cb 1.90 2.75 -0.02 0.00 -2.01 0.00 0.00 31.29 33.91 1tws h VAL 83 CO 0.12 0.83 0.21 0.58 -1.01 0.00 0.00 177.57 178.31 1tws h VAL 84 N 0.09 1.14 -0.56 1.51 2.07 -1.30 -0.91 116.25 118.30 1tws h VAL 84 Ca -0.31 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1tws h VAL 84 Cb 2.07 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1tws h VAL 84 CO 0.17 0.15 0.37 -0.65 0.02 0.00 0.00 177.57 177.63 1tws h PRO 85 N 0.48 0.42 -0.25 1.57 0.11 -1.78 -0.73 132.00 131.82 1tws h PRO 85 Ca 0.13 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1tws h PRO 85 Cb 0.05 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1tws h PRO 85 CO -0.02 0.28 -0.18 0.52 -0.21 0.00 0.00 178.00 178.39 1tws h MET 86 N 0.44 0.57 -0.41 1.05 2.86 -1.49 -2.02 114.93 115.93 1tws h MET 86 Ca 0.25 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1tws h MET 86 Cb 0.42 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1tws h MET 86 CO -0.07 0.85 0.22 0.82 1.06 0.00 0.00 176.91 179.80 1tws h ILE 87 N 0.28 1.16 0.34 -1.22 2.04 -0.74 -0.51 117.51 118.86 1tws h ILE 87 Ca 0.05 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1tws h ILE 87 Cb 0.72 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1tws h ILE 87 CO 0.05 0.16 -0.19 1.56 0.00 0.00 0.00 178.15 179.73 1tws h GLN 88 N 0.53 -0.49 -0.53 2.37 4.20 -1.17 -0.24 115.11 119.78 1tws h GLN 88 Ca 0.14 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 1tws h GLN 88 Cb 0.06 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1tws h GLN 88 CO -0.02 -0.33 0.19 0.00 -0.67 0.00 0.00 178.83 178.00 1tws h ALA 89 N 0.14 0.69 -0.28 3.87 0.00 -1.31 -2.21 119.26 120.16 1tws h ALA 89 Ca -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1tws h ALA 89 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1tws h ALA 89 CO 0.05 0.32 -0.16 0.28 0.00 0.00 0.00 179.25 179.75 1tws h VAL 90 N 0.72 1.30 -0.55 0.00 2.07 -1.03 -1.79 116.25 116.96 1tws h VAL 90 Ca 0.17 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1tws h VAL 90 Cb 0.24 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1tws h VAL 90 CO -0.01 0.40 0.18 0.77 0.02 0.00 0.00 177.57 178.94 1tws h SER 91 N 0.34 0.75 0.56 0.57 4.64 -1.00 0.26 113.55 119.68 1tws h SER 91 Ca 0.06 -0.11 -0.15 0.00 -0.47 0.00 0.00 61.79 61.13 1tws h SER 91 Cb 0.68 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1tws h SER 91 CO 0.05 0.70 -0.66 0.50 -0.87 0.00 0.00 176.83 176.55 1tws h LYS 92 N 0.80 0.09 0.00 4.77 3.64 -1.29 -3.37 116.57 121.20 1tws h LYS 92 Ca 0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1tws h LYS 92 Cb 0.21 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1tws h LYS 92 CO -0.01 0.71 -0.98 0.39 -2.27 0.00 0.00 179.45 177.29 1tws n GLU 93 N -3.78 1.58 -3.82 1.90 1.02 -0.68 -4.91 120.64 111.94 1tws n GLU 93 Ca -0.02 -0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.85 1tws n GLU 93 Cb 0.65 -1.26 -0.17 0.00 -0.02 0.00 0.00 31.44 30.64 1tws n GLU 93 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1tws s VAL 94 N -2.61 0.51 -1.28 2.62 1.01 0.86 -5.02 120.40 116.49 1tws s VAL 94 Ca 0.03 0.03 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1tws s VAL 94 Cb 0.11 -0.63 0.16 0.00 0.00 0.00 0.00 36.38 36.02 1tws s VAL 94 CO 0.63 0.28 2.07 0.29 0.00 0.00 0.00 175.10 178.37 1tws n LYS 95 N 5.05 4.14 -4.12 2.72 4.76 -1.26 -4.50 118.16 124.94 1tws n LYS 95 Ca -0.09 -3.59 -0.11 0.00 -2.87 0.00 0.00 58.31 51.64 1tws n LYS 95 Cb 0.50 -2.76 -0.11 0.00 -1.84 0.00 0.00 35.03 30.82 1tws n LYS 95 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1tws s LEU 96 N -1.27 2.41 0.47 -0.35 1.02 -1.26 -5.13 118.68 114.57 1tws s LEU 96 Ca 0.45 -0.82 -0.24 0.00 0.02 0.00 0.00 54.13 53.53 1tws s LEU 96 Cb 0.13 -0.10 -0.07 0.00 0.02 0.00 0.00 46.19 46.17 1tws s LEU 96 CO -0.03 -0.37 1.36 -2.16 0.02 0.00 0.00 176.35 175.16 1tws s PRO 97 N -2.94 3.61 -0.07 1.29 0.04 -1.26 -4.87 135.00 130.81 1tws s PRO 97 Ca 0.03 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.34 1tws s PRO 97 Cb -0.01 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1tws s PRO 97 CO -0.03 -0.82 -0.10 0.42 0.04 0.00 0.00 177.00 176.51 1tws s ILE 98 N -1.27 3.39 -0.04 0.56 1.01 -1.26 -1.91 121.20 121.67 1tws s ILE 98 Ca 0.63 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1tws s ILE 98 Cb -0.40 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1tws s ILE 98 CO 0.50 0.59 -0.13 -0.94 0.00 0.00 0.00 174.94 174.96 1tws s SER 99 N -0.66 4.12 -0.29 3.58 1.04 -0.03 -0.04 113.70 121.41 1tws s SER 99 Ca 0.10 -0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.22 1tws s SER 99 Cb -0.11 -0.88 -0.04 0.00 0.10 0.00 0.00 66.02 65.09 1tws s SER 99 CO 0.01 0.34 0.25 -0.51 0.98 0.00 0.00 173.24 174.31 1tws s ILE 100 N -0.77 5.26 -0.98 -1.02 1.10 -0.19 -0.89 121.20 123.71 1tws s ILE 100 Ca 0.12 0.24 -0.19 0.00 -0.51 0.00 0.00 60.65 60.30 1tws s ILE 100 Cb -0.11 -3.61 0.11 0.00 0.15 0.00 0.00 42.46 39.01 1tws s ILE 100 CO 0.01 0.19 1.25 -0.62 -2.11 0.00 0.00 174.94 173.66 1tws s ASP 101 N 1.72 6.63 -0.01 4.50 3.68 -0.18 -1.40 116.67 131.62 1tws s ASP 101 Ca 0.09 -1.97 -0.17 0.00 2.13 0.00 0.00 52.55 52.64 1tws s ASP 101 Cb -0.16 -2.45 0.03 0.00 -1.45 0.00 0.00 42.92 38.89 1tws s ASP 101 CO 0.11 -1.16 0.36 0.28 0.13 0.00 0.00 175.17 174.89 1tws s THR 102 N 3.25 0.05 -2.26 1.71 -1.32 -0.77 -4.23 115.64 112.07 1tws s THR 102 Ca 0.37 -0.43 0.21 0.00 -1.21 0.00 0.00 61.69 60.64 1tws s THR 102 Cb -0.03 -0.69 0.38 0.00 -1.51 0.00 0.00 72.50 70.65 1tws s THR 102 CO -0.09 -0.24 1.34 0.00 -2.21 0.00 0.00 174.62 173.43 1tws n TYR 103 N 1.15 0.45 -4.11 9.09 0.18 -1.26 -4.03 117.16 118.63 1tws n TYR 103 Ca -0.21 -0.25 -0.35 0.00 1.88 0.00 0.00 57.90 58.97 1tws n TYR 103 Cb 0.56 -0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.43 1tws n TYR 103 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 1tws s LYS 104 N -1.41 3.50 0.24 -3.48 1.02 -1.26 -4.15 119.74 114.21 1tws s LYS 104 Ca 0.35 -0.31 -0.06 0.00 0.02 0.00 0.00 55.97 55.97 1tws s LYS 104 Cb 0.21 -3.06 0.25 0.00 -0.52 0.00 0.00 37.83 34.71 1tws s LYS 104 CO 0.29 0.55 1.84 0.00 -0.92 0.00 0.00 175.35 177.11 1tws h ALA 105 N 5.74 1.17 0.06 5.17 0.00 -1.91 -2.42 119.26 127.07 1tws h ALA 105 Ca -0.46 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.02 1tws h ALA 105 Cb 1.19 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.68 1tws h ALA 105 CO 0.62 0.64 -1.12 1.49 0.00 0.00 0.00 179.25 180.88 1tws h GLU 106 N 1.15 0.59 -1.01 0.00 4.57 -1.95 -1.44 114.58 116.48 1tws h GLU 106 Ca 0.28 -0.70 0.06 0.00 -1.18 0.00 0.00 59.36 57.82 1tws h GLU 106 Cb 0.10 0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 28.85 1tws h GLU 106 CO -0.04 1.30 0.65 0.28 -1.18 0.00 0.00 179.01 180.02 1tws h VAL 107 N 0.30 1.10 -0.38 0.32 2.07 -1.88 -0.89 116.25 116.88 1tws h VAL 107 Ca -0.14 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 1tws h VAL 107 Cb 1.78 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1tws h VAL 107 CO 0.21 0.22 -0.22 0.00 0.02 0.00 0.00 177.57 177.80 1tws h ALA 108 N 1.45 0.54 0.54 1.67 0.00 -1.17 0.29 119.26 122.59 1tws h ALA 108 Ca 0.43 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1tws h ALA 108 Cb 0.15 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1tws h ALA 108 CO -0.17 0.51 -0.26 -0.22 0.00 0.00 0.00 179.25 179.12 1tws h LYS 109 N 0.63 -0.70 -0.76 0.00 3.64 -0.90 -1.61 116.57 116.87 1tws h LYS 109 Ca 0.08 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1tws h LYS 109 Cb 0.78 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 1tws h LYS 109 CO 0.06 -0.43 0.51 1.96 -2.27 0.00 0.00 179.45 179.28 1tws h GLN 110 N -0.81 0.95 -0.32 1.90 1.08 -1.18 -0.50 115.11 116.22 1tws h GLN 110 Ca -0.07 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 1tws h GLN 110 Cb 0.59 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 1tws h GLN 110 CO 0.12 0.63 -0.11 0.00 -0.95 0.00 0.00 178.83 178.51 1tws h ALA 111 N 1.54 1.21 -0.03 3.87 0.00 -0.82 -1.97 119.26 123.07 1tws h ALA 111 Ca 0.30 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1tws h ALA 111 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1tws h ALA 111 CO -0.08 0.51 -0.89 0.82 0.00 0.00 0.00 179.25 179.61 1tws h ILE 112 N 0.50 1.36 -0.07 0.00 2.04 -0.12 -1.04 117.51 120.19 1tws h ILE 112 Ca 0.09 -2.30 -0.05 0.00 1.00 0.00 0.00 64.86 63.61 1tws h ILE 112 Cb 0.50 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 1tws h ILE 112 CO 0.03 0.69 -0.19 -0.33 0.00 0.00 0.00 178.15 178.35 1tws h GLU 113 N 0.30 0.10 0.00 2.37 4.39 -1.09 -2.00 114.58 118.66 1tws h GLU 113 Ca -0.07 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1tws h GLU 113 Cb 1.52 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.16 1tws h GLU 113 CO 0.16 0.30 0.00 0.00 -1.16 0.00 0.00 179.01 178.31 1tws n ALA 114 N -2.49 2.13 0.00 3.43 0.00 -0.75 -4.91 120.51 117.91 1tws n ALA 114 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1tws n ALA 114 Cb 0.28 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1tws n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tws n GLY 115 N 1.04 0.84 3.78 0.00 0.00 -0.75 -3.94 105.19 106.16 1tws n GLY 115 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1tws n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tws s ALA 116 N -1.83 2.93 -0.30 4.61 0.00 -0.42 -4.73 121.76 122.02 1tws s ALA 116 Ca 0.00 0.80 0.13 0.00 0.00 0.00 0.00 51.96 52.89 1tws s ALA 116 Cb 0.00 -3.33 -0.17 0.00 0.00 0.00 0.00 23.12 19.62 1tws s ALA 116 CO 0.00 -0.51 0.41 0.72 0.00 0.00 0.00 175.76 176.39 1tws n HIS 117 N -0.62 0.00 -3.82 0.00 -0.00 0.94 -4.51 115.22 107.21 1tws n HIS 117 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.67 1tws n HIS 117 Cb 0.50 -0.16 -0.14 0.00 -0.00 0.00 0.00 29.99 30.19 1tws n HIS 117 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1tws s ILE 118 N -2.59 -0.02 -0.18 1.59 1.01 -0.83 -4.12 121.20 116.06 1tws s ILE 118 Ca -0.00 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 1tws s ILE 118 Cb 0.09 -0.10 -0.05 0.00 0.01 0.00 0.00 42.46 42.41 1tws s ILE 118 CO 0.54 0.03 0.15 -0.63 0.00 0.00 0.00 174.94 175.03 1tws s ILE 119 N 0.37 5.40 -0.32 2.92 1.01 -0.62 -1.03 121.20 128.94 1tws s ILE 119 Ca -0.03 0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1tws s ILE 119 Cb -0.04 -3.48 0.07 0.00 0.01 0.00 0.00 42.46 39.02 1tws s ILE 119 CO -0.01 0.46 0.01 0.21 0.00 0.00 0.00 174.94 175.61 1tws s ASN 120 N 0.19 4.81 -0.30 3.58 2.47 -0.49 -0.09 114.94 125.10 1tws s ASN 120 Ca 0.10 -1.61 0.01 0.00 0.42 0.00 0.00 52.86 51.78 1tws s ASN 120 Cb -0.11 -1.67 0.07 0.00 -1.45 0.00 0.00 41.25 38.09 1tws s ASN 120 CO -0.00 -0.31 -0.01 -0.62 -3.72 0.00 0.00 177.10 172.43 1tws s ASP 121 N 1.23 4.73 0.14 -4.21 3.68 -0.37 -1.86 116.67 120.01 1tws s ASP 121 Ca -0.01 -1.59 0.15 0.00 2.13 0.00 0.00 52.55 53.23 1tws s ASP 121 Cb -0.20 -1.64 0.68 0.00 -1.45 0.00 0.00 42.92 40.31 1tws s ASP 121 CO -0.04 -0.29 1.46 2.30 0.13 0.00 0.00 175.17 178.73 1tws n ILE 122 N 4.46 1.21 0.33 4.11 -5.35 -1.26 -1.69 119.36 121.18 1tws n ILE 122 Ca -0.09 0.42 0.08 0.00 -0.27 0.00 0.00 62.75 62.89 1tws n ILE 122 Cb 0.42 -1.33 0.13 0.00 -1.74 0.00 0.00 39.64 37.12 1tws n ILE 122 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1tws n TRP 123 N -1.86 0.27 -3.76 4.28 7.02 -1.26 -4.55 117.44 117.58 1tws n TRP 123 Ca 0.01 -0.19 -0.27 0.00 -1.02 0.00 0.00 57.50 56.03 1tws n TRP 123 Cb 0.11 -0.01 0.05 0.00 -2.42 0.00 0.00 31.31 29.05 1tws n TRP 123 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1tws n GLY 124 N 0.98 -0.52 2.40 6.99 0.00 -0.68 -1.23 105.19 113.14 1tws n GLY 124 Ca 0.13 0.22 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 1tws n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tws n ALA 125 N -4.83 -0.08 -0.01 4.61 0.00 -1.26 -4.51 120.51 114.43 1tws n ALA 125 Ca 0.02 0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.58 1tws n ALA 125 Cb 0.55 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 1tws n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tws n LYS 126 N -1.86 0.65 0.07 0.00 5.02 -0.36 -2.81 118.16 118.86 1tws n LYS 126 Ca -0.05 -0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.04 1tws n LYS 126 Cb 0.30 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.59 1tws n LYS 126 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tws h ALA 127 N 1.63 0.17 -2.13 7.82 0.00 -1.87 -3.41 119.26 121.47 1tws h ALA 127 Ca -0.17 -0.74 -0.48 0.00 0.00 0.00 0.00 54.91 53.52 1tws h ALA 127 Cb 1.43 0.04 -0.34 0.00 0.00 0.00 0.00 17.79 18.93 1tws h ALA 127 CO 0.02 0.75 -0.83 -1.21 0.00 0.00 0.00 179.25 177.98 1tws s GLU 128 N -3.16 0.80 0.64 0.00 2.02 -1.26 -5.01 118.70 112.74 1tws s GLU 128 Ca -0.08 -1.56 0.23 0.00 0.02 0.00 0.00 54.97 53.58 1tws s GLU 128 Cb 0.07 -1.06 1.14 0.00 0.10 0.00 0.00 34.13 34.38 1tws s GLU 128 CO 0.90 -1.31 1.63 -1.35 0.02 0.00 0.00 175.26 175.15 1tws h PRO 129 N 6.10 0.00 0.00 0.39 0.11 -1.76 0.80 132.00 137.64 1tws h PRO 129 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1tws h PRO 129 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1tws h PRO 129 CO 0.26 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.92 1tws h LYS 130 N 0.00 0.00 -0.25 1.05 1.57 -1.95 -1.89 116.57 115.10 1tws h LYS 130 Ca 0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1tws h LYS 130 Cb 1.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 1tws h LYS 130 CO -0.00 0.00 0.12 0.97 -0.57 0.00 0.00 179.45 179.97 1tws h ILE 131 N 0.00 1.09 -0.14 1.86 2.10 -1.17 -1.12 117.51 120.13 1tws h ILE 131 Ca 0.00 -0.26 -0.12 0.00 1.08 0.00 0.00 64.86 65.56 1tws h ILE 131 Cb 0.30 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 1tws h ILE 131 CO 0.00 0.10 -0.44 0.00 -1.08 0.00 0.00 178.15 176.73 1tws h ALA 132 N 1.79 0.99 -0.40 0.18 0.00 -1.55 -0.80 119.26 119.47 1tws h ALA 132 Ca 0.09 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1tws h ALA 132 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1tws h ALA 132 CO -0.01 0.63 -0.17 0.93 0.00 0.00 0.00 179.25 180.62 1tws h GLU 133 N 0.28 0.75 -0.23 0.00 5.08 -1.37 -0.30 114.58 118.79 1tws h GLU 133 Ca 0.02 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1tws h GLU 133 Cb 0.89 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1tws h GLU 133 CO 0.07 0.87 0.13 0.28 -1.00 0.00 0.00 179.01 179.37 1tws h VAL 134 N 0.67 1.10 -0.66 3.13 2.07 -0.94 0.07 116.25 121.68 1tws h VAL 134 Ca 0.10 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1tws h VAL 134 Cb 0.66 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1tws h VAL 134 CO 0.05 0.10 0.31 0.00 0.02 0.00 0.00 177.57 178.05 1tws h ALA 135 N 1.03 0.85 -0.71 1.67 0.00 -1.02 -2.04 119.26 119.03 1tws h ALA 135 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1tws h ALA 135 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1tws h ALA 135 CO -0.01 0.42 0.23 0.00 0.00 0.00 0.00 179.25 179.89 1tws h ALA 136 N 1.14 0.93 -0.29 0.00 0.00 -0.82 -1.45 119.26 118.77 1tws h ALA 136 Ca 0.23 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1tws h ALA 136 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1tws h ALA 136 CO -0.03 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.10 1tws h HIS 137 N 1.05 0.54 -0.00 0.00 2.76 -0.54 -2.83 115.15 116.14 1tws h HIS 137 Ca 0.23 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1tws h HIS 137 Cb 0.29 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1tws h HIS 137 CO 0.02 0.62 -0.13 0.66 -1.30 0.00 0.00 177.93 177.81 1tws n TYR 138 N -4.61 0.00 -3.42 5.26 4.01 -0.81 -4.92 117.16 112.67 1tws n TYR 138 Ca -0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 1tws n TYR 138 Cb 0.23 -0.29 0.07 0.00 -0.31 0.00 0.00 39.34 39.04 1tws n TYR 138 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1tws n ASP 139 N -1.23 -6.13 -4.82 7.72 2.03 -0.58 -5.01 116.55 108.53 1tws n ASP 139 Ca 0.11 -0.46 -0.24 0.00 0.52 0.00 0.00 54.79 54.72 1tws n ASP 139 Cb 0.30 -4.79 -0.05 0.00 -0.72 0.00 0.00 41.12 35.86 1tws n ASP 139 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1tws s VAL 140 N -3.27 4.51 0.51 5.18 -7.23 -0.99 -5.01 120.40 114.10 1tws s VAL 140 Ca 0.50 -1.21 -0.23 0.00 -1.81 0.00 0.00 61.98 59.23 1tws s VAL 140 Cb -0.22 -3.37 -0.06 0.00 0.56 0.00 0.00 36.38 33.29 1tws s VAL 140 CO 0.62 -0.22 1.35 -2.84 -0.31 0.00 0.00 175.10 173.70 1tws s PRO 141 N -3.45 3.34 -0.02 4.82 0.02 -1.26 -4.81 135.00 133.63 1tws s PRO 141 Ca 0.32 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.58 1tws s PRO 141 Cb -0.09 -2.37 0.01 0.00 0.02 0.00 0.00 34.50 32.07 1tws s PRO 141 CO 0.24 -1.03 -0.05 -1.50 -0.33 0.00 0.00 177.00 174.34 1tws s ILE 142 N -1.31 0.47 -0.24 2.83 2.07 -0.06 -1.59 121.20 123.38 1tws s ILE 142 Ca 0.68 -0.16 -0.10 0.00 -1.41 0.00 0.00 60.65 59.66 1tws s ILE 142 Cb -0.40 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 41.68 1tws s ILE 142 CO 0.48 0.18 0.14 -0.63 -1.91 0.00 0.00 174.94 173.20 1tws s ILE 143 N 0.44 5.16 -0.30 2.00 1.01 0.87 -1.36 121.20 129.02 1tws s ILE 143 Ca -0.05 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1tws s ILE 143 Cb -0.09 -3.40 0.03 0.00 0.01 0.00 0.00 42.46 39.00 1tws s ILE 143 CO -0.00 0.35 0.04 -0.76 0.00 0.00 0.00 174.94 174.57 1tws s LEU 144 N 1.09 3.85 -0.00 2.97 1.43 0.48 -1.24 118.68 127.25 1tws s LEU 144 Ca 0.07 -0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 1tws s LEU 144 Cb -0.14 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1tws s LEU 144 CO 0.04 -0.23 0.32 -0.32 0.23 0.00 0.00 176.35 176.40 1tws s MET 145 N 1.40 3.71 0.19 1.70 1.75 -0.88 -1.98 119.30 125.18 1tws s MET 145 Ca -0.00 0.13 -0.31 0.00 -1.25 0.00 0.00 55.69 54.26 1tws s MET 145 Cb -0.18 -3.13 -0.09 0.00 2.84 0.00 0.00 34.83 34.27 1tws s MET 145 CO 0.01 0.67 1.44 -1.58 -0.65 0.00 0.00 175.02 174.91 1tws s HIS 146 N -1.20 3.11 0.07 4.11 2.46 0.48 -3.47 115.29 120.85 1tws s HIS 146 Ca 0.25 0.94 -0.26 0.00 0.47 0.00 0.00 55.06 56.46 1tws s HIS 146 Cb -0.14 -3.79 0.08 0.00 -0.13 0.00 0.00 32.58 28.61 1tws s HIS 146 CO 0.13 -2.68 0.72 1.21 -2.47 0.00 0.00 174.74 171.66 1tws s ASN 147 N 0.71 -0.50 0.22 9.88 3.84 -1.26 -4.17 114.94 123.66 1tws s ASN 147 Ca 0.63 0.09 -0.22 0.00 0.21 0.00 0.00 52.86 53.57 1tws s ASN 147 Cb -0.40 0.51 0.06 0.00 -0.55 0.00 0.00 41.25 40.86 1tws s ASN 147 CO 0.37 -0.79 0.90 0.00 -2.79 0.00 0.00 177.10 174.79 1tws s ARG 148 N -3.16 1.50 -0.02 0.43 1.70 -1.26 -5.05 118.95 113.09 1tws s ARG 148 Ca 0.01 -0.88 0.20 0.00 -0.47 0.00 0.00 55.73 54.59 1tws s ARG 148 Cb -0.01 0.48 0.60 0.00 -0.57 0.00 0.00 34.95 35.44 1tws s ARG 148 CO -0.09 -0.69 1.50 -0.40 -1.08 0.00 0.00 175.30 174.54 1tws n ASP 149 N -0.74 3.69 -4.01 -2.89 5.75 -1.26 -4.65 116.55 112.43 1tws n ASP 149 Ca -0.05 -2.08 -0.10 0.00 -0.01 0.00 0.00 54.79 52.55 1tws n ASP 149 Cb 0.60 -0.46 -0.07 0.00 -1.03 0.00 0.00 41.12 40.16 1tws n ASP 149 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1tws s ASN 150 N -0.97 -0.00 -0.30 -1.12 2.20 -1.26 -5.06 114.94 108.42 1tws s ASN 150 Ca 0.45 -0.98 0.08 0.00 -0.94 0.00 0.00 52.86 51.47 1tws s ASN 150 Cb 0.24 0.49 0.48 0.00 -2.00 0.00 0.00 41.25 40.46 1tws s ASN 150 CO 0.29 -0.99 1.41 0.23 -2.94 0.00 0.00 177.10 175.09 1tws n MET 151 N -0.30 2.12 -3.48 3.55 2.81 -1.26 -4.79 117.12 115.77 1tws n MET 151 Ca -0.03 -3.39 -0.43 0.00 -1.81 0.00 0.00 57.70 52.04 1tws n MET 151 Cb 0.63 -1.88 -0.06 0.00 -0.71 0.00 0.00 33.22 31.19 1tws n MET 151 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1tws s ASN 152 N -2.81 6.00 -0.06 7.83 0.02 -1.26 -4.90 114.94 119.75 1tws s ASN 152 Ca 0.46 -2.31 0.04 0.00 -1.02 0.00 0.00 52.86 50.03 1tws s ASN 152 Cb 0.41 -2.07 -0.02 0.00 0.02 0.00 0.00 41.25 39.59 1tws s ASN 152 CO -0.01 -0.62 -0.17 -0.31 0.02 0.00 0.00 177.10 176.01 1tws s TYR 153 N 0.77 2.64 -0.07 2.20 1.51 -1.26 -5.02 117.35 118.12 1tws s TYR 153 Ca 0.11 -0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 55.55 1tws s TYR 153 Cb -0.21 -1.65 -0.26 0.00 -0.11 0.00 0.00 41.96 39.72 1tws s TYR 153 CO -0.03 0.02 0.92 -0.09 -1.11 0.00 0.00 175.55 175.27 1tws h ARG 154 N 5.74 0.17 -2.69 -0.62 2.43 -2.02 -3.44 114.38 113.95 1tws h ARG 154 Ca -0.40 -0.24 -0.41 0.00 -0.81 0.00 0.00 59.98 58.13 1tws h ARG 154 Cb 1.16 0.08 -0.38 0.00 -0.42 0.00 0.00 29.97 30.42 1tws h ARG 154 CO 0.50 1.04 -0.70 1.21 -1.51 0.00 0.00 179.97 180.52 1tws s ASN 155 N -6.49 2.14 0.14 -3.80 3.04 -1.26 -5.07 114.94 103.63 1tws s ASN 155 Ca -0.16 -0.62 -0.21 0.00 0.04 0.00 0.00 52.86 51.91 1tws s ASN 155 Cb -0.00 0.06 0.01 0.00 -1.54 0.00 0.00 41.25 39.78 1tws s ASN 155 CO 0.76 -0.36 1.66 0.25 -3.04 0.00 0.00 177.10 176.37 1tws h LEU 156 N 8.36 -0.47 -0.17 3.21 5.85 -1.99 0.01 115.31 130.10 1tws h LEU 156 Ca -0.17 0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 1tws h LEU 156 Cb 1.11 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1tws h LEU 156 CO 0.32 -0.19 -0.36 0.24 -0.34 0.00 0.00 178.44 178.11 1tws h MET 157 N -0.15 0.54 -0.42 1.25 2.86 -1.97 0.41 114.93 117.45 1tws h MET 157 Ca 0.12 -0.36 0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1tws h MET 157 Cb 0.32 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.96 1tws h MET 157 CO -0.29 0.97 -0.01 0.00 1.06 0.00 0.00 176.91 178.64 1tws h ALA 158 N 0.57 0.37 -0.35 6.32 0.00 -1.95 -1.64 119.26 122.58 1tws h ALA 158 Ca 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1tws h ALA 158 Cb 0.96 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1tws h ALA 158 CO 0.08 -0.40 -0.25 -0.44 0.00 0.00 0.00 179.25 178.24 1tws h ASP 159 N 0.09 0.72 -0.84 0.00 3.32 -0.81 -2.01 116.42 116.90 1tws h ASP 159 Ca 0.21 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1tws h ASP 159 Cb 0.30 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1tws h ASP 159 CO -0.35 0.95 0.51 0.24 -1.72 0.00 0.00 179.24 178.87 1tws h MET 160 N 0.62 1.13 -0.28 3.56 2.86 -0.72 -0.58 114.93 121.52 1tws h MET 160 Ca 0.08 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1tws h MET 160 Cb 0.75 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1tws h MET 160 CO 0.06 0.79 -0.12 0.82 1.06 0.00 0.00 176.91 179.51 1tws h ILE 161 N 1.16 1.29 -0.63 -1.22 2.04 -1.12 0.93 117.51 119.97 1tws h ILE 161 Ca 0.30 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1tws h ILE 161 Cb -0.06 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1tws h ILE 161 CO -0.06 0.38 0.39 0.00 0.00 0.00 0.00 178.15 178.86 1tws h ALA 162 N 0.75 0.82 -0.45 1.87 0.00 -1.15 -0.21 119.26 120.89 1tws h ALA 162 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1tws h ALA 162 Cb 0.63 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1tws h ALA 162 CO 0.04 0.14 0.15 -0.44 0.00 0.00 0.00 179.25 179.14 1tws h ASP 163 N 0.76 0.64 -0.71 0.00 3.32 -0.95 -1.72 116.42 117.76 1tws h ASP 163 Ca 0.25 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1tws h ASP 163 Cb 0.02 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1tws h ASP 163 CO -0.10 0.66 0.37 -0.07 -1.72 0.00 0.00 179.24 178.38 1tws h LEU 164 N 0.58 0.92 -0.90 1.55 3.38 -0.54 -2.06 115.31 118.23 1tws h LEU 164 Ca 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1tws h LEU 164 Cb 0.24 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1tws h LEU 164 CO -0.01 0.76 0.50 1.88 0.09 0.00 0.00 178.44 181.66 1tws h TYR 165 N 1.02 1.24 -0.76 1.13 -1.99 -0.62 -0.54 116.97 116.44 1tws h TYR 165 Ca 0.25 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.96 1tws h TYR 165 Cb 0.07 -0.40 -0.04 0.00 2.00 0.00 0.00 36.73 38.37 1tws h TYR 165 CO 0.01 0.85 0.50 -0.44 -0.00 0.00 0.00 178.16 179.09 1tws h ASP 166 N 1.27 0.88 -0.42 3.88 3.32 -0.87 -0.83 116.42 123.64 1tws h ASP 166 Ca 0.32 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1tws h ASP 166 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1tws h ASP 166 CO -0.05 0.64 0.21 0.28 -1.72 0.00 0.00 179.24 178.60 1tws h SER 167 N 1.04 0.54 -0.79 6.45 0.02 -0.75 -1.98 113.55 118.06 1tws h SER 167 Ca 0.28 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1tws h SER 167 Cb -0.12 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 1tws h SER 167 CO -0.06 0.50 0.50 0.40 -1.14 0.00 0.00 176.83 177.03 1tws h ILE 168 N 0.54 1.08 -0.43 3.27 2.04 -0.75 -1.77 117.51 121.49 1tws h ILE 168 Ca 0.15 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1tws h ILE 168 Cb 0.09 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1tws h ILE 168 CO -0.02 0.17 -0.00 0.50 0.00 0.00 0.00 178.15 178.80 1tws h LYS 169 N 0.94 0.76 -0.48 2.37 1.63 -0.97 0.15 116.57 120.97 1tws h LYS 169 Ca 0.33 -0.24 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1tws h LYS 169 Cb 0.08 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 1tws h LYS 169 CO -0.14 0.84 0.18 0.82 -3.45 0.00 0.00 179.45 177.70 1tws h ILE 170 N 0.60 0.86 -0.39 2.00 2.04 -1.05 0.37 117.51 121.95 1tws h ILE 170 Ca 0.12 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1tws h ILE 170 Cb 0.49 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1tws h ILE 170 CO 0.02 0.07 0.24 0.00 0.00 0.00 0.00 178.15 178.48 1tws h ALA 171 N 1.31 0.49 -0.20 1.87 0.00 -0.80 -2.74 119.26 119.19 1tws h ALA 171 Ca 0.22 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1tws h ALA 171 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1tws h ALA 171 CO -0.22 -0.09 -0.65 0.87 0.00 0.00 0.00 179.25 179.17 1tws h LYS 172 N 0.49 0.75 -0.23 0.00 1.57 -0.41 -1.22 116.57 117.52 1tws h LYS 172 Ca 0.15 -0.53 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1tws h LYS 172 Cb -0.02 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1tws h LYS 172 CO -0.06 1.15 0.14 -0.44 -0.57 0.00 0.00 179.45 179.68 1tws h ASP 173 N 0.55 0.27 0.75 0.86 3.45 -0.86 -1.52 116.42 119.92 1tws h ASP 173 Ca -0.01 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1tws h ASP 173 Cb 1.25 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1tws h ASP 173 CO 0.13 0.20 -0.15 0.00 -1.57 0.00 0.00 179.24 177.86 1tws n ALA 174 N -2.50 2.72 0.00 3.45 0.00 -0.96 -4.90 120.51 118.33 1tws n ALA 174 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1tws n ALA 174 Cb 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1tws n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tws n GLY 175 N 1.46 1.31 3.70 0.00 0.00 -0.57 -4.66 105.19 106.42 1tws n GLY 175 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1tws n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tws s VAL 176 N -2.00 4.41 0.50 1.61 1.01 -0.50 -4.81 120.40 120.61 1tws s VAL 176 Ca 0.00 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.51 1tws s VAL 176 Cb 0.00 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1tws s VAL 176 CO 0.00 0.06 1.01 -0.13 0.00 0.00 0.00 175.10 176.04 1tws s ARG 177 N 1.66 3.84 0.22 2.72 0.52 -1.26 -4.30 118.95 122.34 1tws s ARG 177 Ca 0.55 1.17 -0.07 0.00 -0.52 0.00 0.00 55.73 56.86 1tws s ARG 177 Cb -0.24 -2.11 0.32 0.00 0.52 0.00 0.00 34.95 33.44 1tws s ARG 177 CO 0.24 -0.37 1.78 -0.44 0.02 0.00 0.00 175.30 176.53 1tws h ASP 178 N 1.26 0.46 0.28 0.23 3.32 -1.96 0.11 116.42 120.11 1tws h ASP 178 Ca -0.48 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1tws h ASP 178 Cb 1.20 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1tws h ASP 178 CO 0.60 0.27 0.00 -0.62 -1.72 0.00 0.00 179.24 177.77 1tws n GLU 179 N -4.86 0.03 -0.22 3.56 4.71 -1.26 -1.03 120.64 121.57 1tws n GLU 179 Ca 0.11 0.40 0.08 0.00 -0.01 0.00 0.00 57.16 57.74 1tws n GLU 179 Cb 0.26 -1.58 0.20 0.00 -1.01 0.00 0.00 31.44 29.31 1tws n GLU 179 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1tws n ASN 180 N -1.64 3.21 -4.76 1.62 5.03 0.36 -4.88 115.26 114.21 1tws n ASN 180 Ca 0.02 -1.95 -0.36 0.00 0.87 0.00 0.00 54.58 53.16 1tws n ASN 180 Cb 0.09 -0.28 -0.07 0.00 -1.02 0.00 0.00 39.78 38.50 1tws n ASN 180 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1tws s ILE 181 N -1.07 5.39 0.02 2.41 1.01 -0.20 -0.88 121.20 127.88 1tws s ILE 181 Ca 0.32 0.31 0.06 0.00 0.00 0.00 0.00 60.65 61.34 1tws s ILE 181 Cb 0.17 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 1tws s ILE 181 CO 0.23 0.46 -0.19 -0.63 0.00 0.00 0.00 174.94 174.81 1tws s ILE 182 N 0.13 1.48 0.16 2.92 1.01 -0.47 -4.39 121.20 122.04 1tws s ILE 182 Ca 0.12 -1.02 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1tws s ILE 182 Cb -0.12 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1tws s ILE 182 CO 0.01 0.23 -0.04 -0.76 0.00 0.00 0.00 174.94 174.37 1tws s LEU 183 N -0.93 3.19 -0.04 2.97 1.02 -0.26 -0.39 118.68 124.24 1tws s LEU 183 Ca 0.06 -0.42 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 1tws s LEU 183 Cb -0.08 -1.89 0.03 0.00 0.02 0.00 0.00 46.19 44.28 1tws s LEU 183 CO 0.01 0.12 0.07 -0.62 0.02 0.00 0.00 176.35 175.95 1tws s ASP 184 N -2.72 0.16 0.00 2.29 3.68 -0.84 0.54 116.67 119.78 1tws s ASP 184 Ca 0.25 0.13 0.15 0.00 2.13 0.00 0.00 52.55 55.22 1tws s ASP 184 Cb -0.10 0.01 0.69 0.00 -1.45 0.00 0.00 42.92 42.07 1tws s ASP 184 CO 0.17 -0.15 1.47 -0.81 0.13 0.00 0.00 175.17 175.98 1tws n PRO 185 N 4.36 0.07 -3.34 4.34 -0.04 -1.26 -0.39 135.00 138.74 1tws n PRO 185 Ca -0.24 0.21 -0.18 0.00 -0.04 0.00 0.00 63.50 63.25 1tws n PRO 185 Cb 0.50 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.53 1tws n PRO 185 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tws n GLY 186 N 0.05 -0.27 3.70 0.55 0.00 -1.26 -4.53 105.19 103.43 1tws n GLY 186 Ca 0.05 0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1tws n GLY 186 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tws n ILE 187 N -4.29 0.01 -0.36 -0.61 2.08 -1.26 -1.56 119.36 113.37 1tws n ILE 187 Ca -0.07 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.24 1tws n ILE 187 Cb 0.58 -1.77 0.00 0.00 -0.75 0.00 0.00 39.64 37.69 1tws n ILE 187 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1tws n GLY 188 N 3.69 0.69 3.15 7.39 0.00 -1.26 -4.78 105.19 114.06 1tws n GLY 188 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1tws n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tws s PHE 189 N -2.68 2.24 -1.43 1.61 0.40 -0.60 -4.82 117.98 112.71 1tws s PHE 189 Ca 0.00 -0.95 -0.10 0.00 -0.60 0.00 0.00 56.93 55.28 1tws s PHE 189 Cb 0.00 -1.54 0.03 0.00 0.51 0.00 0.00 43.02 42.03 1tws s PHE 189 CO 0.00 -0.42 1.07 0.00 0.70 0.00 0.00 175.22 176.57 1tws n ALA 190 N 3.74 -1.27 -3.13 5.36 0.00 -1.26 -4.85 120.51 119.10 1tws n ALA 190 Ca -0.20 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 1tws n ALA 190 Cb 0.52 -5.06 -0.12 0.00 0.00 0.00 0.00 19.45 14.80 1tws n ALA 190 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1tws s LYS 191 N -6.36 0.24 0.90 0.00 1.02 -1.26 -4.45 119.74 109.83 1tws s LYS 191 Ca 0.59 0.30 -0.12 0.00 0.02 0.00 0.00 55.97 56.76 1tws s LYS 191 Cb -0.27 0.10 0.13 0.00 -0.52 0.00 0.00 37.83 37.27 1tws s LYS 191 CO 0.73 -0.04 1.09 0.95 -0.92 0.00 0.00 175.35 177.16 1tws s THR 192 N 0.19 2.58 0.25 2.17 -4.23 -1.26 -4.78 115.64 110.56 1tws s THR 192 Ca -0.01 0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.66 1tws s THR 192 Cb -0.02 -2.72 0.22 0.00 1.34 0.00 0.00 72.50 71.33 1tws s THR 192 CO -0.00 -0.25 1.79 -0.65 -0.54 0.00 0.00 174.62 174.98 1tws h PRO 193 N -1.55 0.72 -0.27 3.99 0.11 -1.99 -0.93 132.00 132.08 1tws h PRO 193 Ca -0.50 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.46 1tws h PRO 193 Cb 1.29 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1tws h PRO 193 CO 0.56 0.47 -0.29 0.93 -0.21 0.00 0.00 178.00 179.46 1tws h GLU 194 N 0.74 0.54 -0.49 1.05 5.08 -1.98 -2.34 114.58 117.17 1tws h GLU 194 Ca 0.42 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1tws h GLU 194 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1tws h GLU 194 CO -0.28 0.77 0.06 1.96 -1.00 0.00 0.00 179.01 180.52 1tws h GLN 195 N 0.47 0.83 -0.99 2.33 4.20 -1.77 0.22 115.11 120.40 1tws h GLN 195 Ca 0.06 -0.23 0.05 0.00 0.06 0.00 0.00 58.65 58.59 1tws h GLN 195 Cb 0.74 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.37 1tws h GLN 195 CO 0.06 0.84 0.64 -0.91 -0.67 0.00 0.00 178.83 178.79 1tws h ASN 196 N 0.70 1.05 -0.47 1.46 2.35 -0.89 0.11 115.58 119.88 1tws h ASN 196 Ca 0.15 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 1tws h ASN 196 Cb 0.43 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1tws h ASN 196 CO 0.01 0.69 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.39 1tws h LEU 197 N 1.20 0.88 -0.28 1.61 4.07 -1.04 -2.06 115.31 119.69 1tws h LEU 197 Ca 0.41 -0.24 -0.10 0.00 0.08 0.00 0.00 57.88 58.04 1tws h LEU 197 Cb 0.10 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1tws h LEU 197 CO -0.15 0.95 -0.21 -0.08 -1.08 0.00 0.00 178.44 177.87 1tws h GLU 198 N 0.83 0.64 -0.04 1.13 4.81 -0.16 -1.48 114.58 120.30 1tws h GLU 198 Ca 0.15 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1tws h GLU 198 Cb 0.52 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1tws h GLU 198 CO 0.03 0.91 0.02 0.00 -0.73 0.00 0.00 179.01 179.24 1tws h ALA 199 N 0.72 0.05 -0.72 2.92 0.00 -0.67 -2.12 119.26 119.44 1tws h ALA 199 Ca 0.05 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.10 1tws h ALA 199 Cb 0.76 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.41 1tws h ALA 199 CO 0.06 -0.43 0.03 0.52 0.00 0.00 0.00 179.25 179.42 1tws h MET 200 N 0.01 0.12 0.00 0.00 2.86 -1.34 -1.27 114.93 115.31 1tws h MET 200 Ca 0.01 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1tws h MET 200 Cb 0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1tws h MET 200 CO -0.00 0.08 -0.09 -0.09 1.06 0.00 0.00 176.91 177.87 1tws h ARG 201 N 0.12 0.00 0.00 1.72 2.43 -0.96 -3.16 114.38 114.53 1tws h ARG 201 Ca 0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1tws h ARG 201 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1tws h ARG 201 CO -0.61 0.09 -0.03 0.09 -1.51 0.00 0.00 179.97 178.00 1tws n ASN 202 N -3.66 2.20 0.26 -3.80 3.02 -0.80 -4.81 115.26 107.68 1tws n ASN 202 Ca -0.02 -2.97 0.12 0.00 -0.03 0.00 0.00 54.58 51.68 1tws n ASN 202 Cb 0.20 -0.39 0.73 0.00 -0.61 0.00 0.00 39.78 39.70 1tws n ASN 202 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1tws h LEU 203 N 0.00 0.00 -2.68 3.41 3.38 -1.22 -1.78 115.31 116.42 1tws h LEU 203 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tws h LEU 203 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1tws h LEU 203 CO 0.00 0.11 0.00 1.05 0.09 0.00 0.00 178.44 179.69 1tws h GLU 204 N 0.00 0.00 0.00 1.13 9.09 -1.87 -1.81 114.58 121.12 1tws h GLU 204 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 1tws h GLU 204 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 1tws h GLU 204 CO 0.01 0.00 -0.19 1.96 0.05 0.00 0.00 179.01 180.84 1tws h GLN 205 N 0.00 0.00 0.00 1.06 4.20 -1.67 -2.31 115.11 116.39 1tws h GLN 205 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1tws h GLN 205 Cb 0.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1tws h GLN 205 CO 0.00 0.19 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.24 1tws h LEU 206 N 0.00 0.00 -1.67 1.46 3.38 -1.52 -2.65 115.31 114.30 1tws h LEU 206 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1tws h LEU 206 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1tws h LEU 206 CO 0.02 0.04 -0.12 0.78 0.09 0.00 0.00 178.44 179.26 1tws h ASN 207 N 0.00 0.00 0.61 -0.43 2.35 -1.59 -2.63 115.58 113.88 1tws h ASN 207 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1tws h ASN 207 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1tws h ASN 207 CO 0.01 0.12 0.00 -0.37 -1.65 0.00 0.00 177.43 175.53 1tws h VAL 208 N 0.00 0.00 0.00 2.81 -1.51 -1.66 -2.37 116.25 113.52 1tws h VAL 208 Ca -0.00 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 65.20 1tws h VAL 208 Cb 0.47 1.06 -0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1tws h VAL 208 CO 0.02 0.00 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.22 1tws h LEU 209 N 0.00 0.00 0.00 4.19 3.38 -1.68 -3.46 115.31 117.73 1tws h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tws h LEU 209 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1tws h LEU 209 CO 0.00 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1tws n GLY 210 N 0.28 0.81 3.50 0.83 0.00 -0.89 -5.08 105.19 104.64 1tws n GLY 210 Ca 0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1tws n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tws s TYR 211 N -2.00 2.51 0.42 1.61 1.51 -1.26 -5.11 117.35 115.03 1tws s TYR 211 Ca 0.00 -0.27 -0.25 0.00 -1.01 0.00 0.00 57.07 55.54 1tws s TYR 211 Cb 0.00 -1.28 -0.10 0.00 -0.11 0.00 0.00 41.96 40.47 1tws s TYR 211 CO 0.00 0.45 1.11 -2.30 -1.11 0.00 0.00 175.55 173.70 1tws n PRO 212 N 0.47 1.55 -5.06 -1.71 -0.02 -1.26 -4.81 135.00 124.15 1tws n PRO 212 Ca -0.14 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.58 1tws n PRO 212 Cb 0.54 -2.17 -0.15 0.00 -0.02 0.00 0.00 33.50 31.70 1tws n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1tws s VAL 213 N -1.24 2.57 -0.14 -1.45 1.01 -1.26 -1.11 120.40 118.78 1tws s VAL 213 Ca 0.63 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.70 1tws s VAL 213 Cb -0.54 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1tws s VAL 213 CO 0.57 0.57 -0.09 -0.22 0.00 0.00 0.00 175.10 175.93 1tws s LEU 214 N -0.36 2.94 -0.24 3.92 0.20 0.19 -1.20 118.68 124.13 1tws s LEU 214 Ca 0.03 -0.25 -0.09 0.00 0.69 0.00 0.00 54.13 54.51 1tws s LEU 214 Cb -0.12 -1.69 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 1tws s LEU 214 CO 0.02 0.16 0.12 -0.22 -0.29 0.00 0.00 176.35 176.14 1tws s LEU 215 N 0.41 3.87 -0.38 -0.68 2.96 -0.53 -4.09 118.68 120.24 1tws s LEU 215 Ca -0.07 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1tws s LEU 215 Cb -0.15 -2.03 0.11 0.00 0.50 0.00 0.00 46.19 44.62 1tws s LEU 215 CO 0.04 0.04 0.14 -0.83 -1.32 0.00 0.00 176.35 174.42 1tws s GLY 216 N 1.17 1.68 0.00 7.98 0.00 -1.26 -0.88 107.32 116.01 1tws s GLY 216 Ca 0.06 -2.39 0.03 0.00 0.00 0.00 0.00 44.72 42.43 1tws s GLY 216 CO 0.05 1.30 0.34 -1.30 0.00 0.00 0.00 173.10 173.49 1tws n THR 217 N 4.11 0.00 -1.65 0.90 -2.24 -1.26 -4.54 114.28 109.59 1tws n THR 217 Ca 0.03 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 60.92 1tws n THR 217 Cb 0.39 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 1tws n THR 217 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1tws n SER 218 N -0.51 3.90 -0.02 3.42 2.88 -1.26 -1.98 113.62 120.04 1tws n SER 218 Ca 0.01 0.81 -0.00 0.00 -1.33 0.00 0.00 58.87 58.36 1tws n SER 218 Cb 0.06 -1.50 -0.00 0.00 -0.75 0.00 0.00 64.21 62.02 1tws n SER 218 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tws n ARG 219 N 7.57 -0.97 -1.35 -1.46 1.74 -1.26 -4.92 116.66 116.01 1tws n ARG 219 Ca 0.22 0.26 -0.30 0.00 -0.77 0.00 0.00 57.85 57.26 1tws n ARG 219 Cb 0.39 -4.00 0.11 0.00 -1.02 0.00 0.00 32.46 27.94 1tws n ARG 219 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1tws s LYS 220 N -1.03 1.81 0.30 5.56 1.02 -0.84 -4.83 119.74 121.73 1tws s LYS 220 Ca 0.00 0.84 -0.02 0.00 0.02 0.00 0.00 55.97 56.81 1tws s LYS 220 Cb 0.00 -1.87 0.46 0.00 -0.52 0.00 0.00 37.83 35.90 1tws s LYS 220 CO 0.00 -1.87 1.97 1.03 -0.92 0.00 0.00 175.35 175.56 1tws h SER 221 N -1.28 0.92 0.17 2.83 0.87 -1.93 -1.79 113.55 113.34 1tws h SER 221 Ca -0.47 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1tws h SER 221 Cb 1.26 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1tws h SER 221 CO 0.56 0.68 -0.12 2.19 -0.53 0.00 0.00 176.83 179.61 1tws h PHE 222 N 1.09 0.00 -0.23 2.24 -5.15 -1.94 0.35 116.94 113.30 1tws h PHE 222 Ca 0.29 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.97 1tws h PHE 222 Cb -0.11 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.06 1tws h PHE 222 CO 0.00 0.12 -0.23 0.82 -2.00 0.00 0.00 178.31 177.02 1tws h ILE 223 N 0.00 1.32 -0.75 0.88 2.04 -1.68 -2.14 117.51 117.18 1tws h ILE 223 Ca -0.00 -1.39 0.07 0.00 1.00 0.00 0.00 64.86 64.54 1tws h ILE 223 Cb 0.23 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 1tws h ILE 223 CO 0.01 0.43 0.49 1.23 0.00 0.00 0.00 178.15 180.32 1tws h GLY 224 N 0.25 1.00 1.05 5.37 0.00 -1.11 -1.58 103.07 108.05 1tws h GLY 224 Ca 0.04 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 1tws h GLY 224 CO 0.06 0.22 -0.16 0.84 0.00 0.00 0.00 176.54 177.50 1tws h HIS 225 N 0.78 1.03 -0.13 5.60 -0.00 -0.86 0.41 115.15 121.97 1tws h HIS 225 Ca 0.33 -0.24 -0.12 0.00 -0.00 0.00 0.00 60.37 60.34 1tws h HIS 225 Cb 0.28 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1tws h HIS 225 CO -0.00 1.02 -0.37 0.28 -0.00 0.00 0.00 177.93 178.86 1tws h VAL 226 N 0.75 1.36 -0.00 5.26 2.07 -1.08 -3.31 116.25 121.30 1tws h VAL 226 Ca 0.11 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1tws h VAL 226 Cb 0.72 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1tws h VAL 226 CO 0.05 0.50 -0.51 0.18 0.02 0.00 0.00 177.57 177.81 1tws n LEU 227 N -4.33 0.68 -3.82 2.57 4.77 -0.62 -4.96 117.00 111.29 1tws n LEU 227 Ca -0.07 -0.12 -0.33 0.00 -0.03 0.00 0.00 56.01 55.47 1tws n LEU 227 Cb 0.52 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1tws n LEU 227 CO 0.44 0.16 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.85 1tws n ASP 228 N -1.32 -3.81 -4.08 -1.43 2.03 0.14 -5.02 116.55 103.06 1tws n ASP 228 Ca 0.07 -1.07 -0.15 0.00 0.52 0.00 0.00 54.79 54.16 1tws n ASP 228 Cb 0.34 -3.00 -0.12 0.00 -0.72 0.00 0.00 41.12 37.62 1tws n ASP 228 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1tws s LEU 229 N -6.77 2.23 0.91 -2.67 1.43 -1.08 -5.06 118.68 107.68 1tws s LEU 229 Ca 0.36 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 1tws s LEU 229 Cb -0.14 -0.28 0.14 0.00 0.03 0.00 0.00 46.19 45.93 1tws s LEU 229 CO 0.89 -0.14 1.14 -2.16 0.23 0.00 0.00 176.35 176.32 1tws s PRO 230 N -1.46 1.17 0.45 1.29 0.04 -1.26 -4.31 135.00 130.92 1tws s PRO 230 Ca -0.06 0.26 0.22 0.00 0.04 0.00 0.00 61.00 61.46 1tws s PRO 230 Cb -0.09 -1.85 1.22 0.00 0.04 0.00 0.00 34.50 33.82 1tws s PRO 230 CO 0.01 -2.17 1.85 -0.24 0.04 0.00 0.00 177.00 176.49 1tws h VAL 231 N -1.48 0.61 -0.00 -0.36 3.04 -1.98 -0.52 116.25 115.57 1tws h VAL 231 Ca -0.50 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1tws h VAL 231 Cb 1.33 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1tws h VAL 231 CO 0.62 0.05 -0.22 -1.84 -1.01 0.00 0.00 177.57 175.17 1tws n GLU 232 N -4.45 0.09 -1.60 4.17 0.00 -1.26 -3.80 120.64 113.78 1tws n GLU 232 Ca 0.20 -0.03 -0.27 0.00 0.00 0.00 0.00 57.16 57.06 1tws n GLU 232 Cb 0.82 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.82 1tws n GLU 232 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1tws n GLU 233 N -1.43 3.03 -0.11 3.44 -0.58 -0.20 -4.69 120.64 120.09 1tws n GLU 233 Ca 0.07 -3.69 0.07 0.00 -0.42 0.00 0.00 57.16 53.19 1tws n GLU 233 Cb 0.33 -2.24 0.12 0.00 -0.57 0.00 0.00 31.44 29.08 1tws n GLU 233 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1tws n ARG 234 N -0.85 2.13 -0.03 3.49 1.74 -1.25 -4.74 116.66 117.17 1tws n ARG 234 Ca 0.51 -2.27 -0.11 0.00 -0.77 0.00 0.00 57.85 55.22 1tws n ARG 234 Cb 0.86 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 1tws n ARG 234 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1tws h LEU 235 N 0.42 0.18 -0.29 0.55 6.46 -1.88 -1.02 115.31 119.74 1tws h LEU 235 Ca 0.00 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1tws h LEU 235 Cb 0.90 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 1tws h LEU 235 CO 0.03 0.16 0.01 -0.33 -0.62 0.00 0.00 178.44 177.69 1tws h GLU 236 N 0.18 0.50 -0.39 1.25 3.07 -1.99 0.47 114.58 117.67 1tws h GLU 236 Ca 0.05 -0.15 0.01 0.00 -0.50 0.00 0.00 59.36 58.77 1tws h GLU 236 Cb 0.01 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1tws h GLU 236 CO -0.01 0.64 0.25 0.78 -1.40 0.00 0.00 179.01 179.27 1tws h GLY 237 N 0.29 0.55 0.74 -3.84 0.00 -1.87 -1.48 103.07 97.46 1tws h GLY 237 Ca 0.08 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1tws h GLY 237 CO 0.01 0.19 0.44 -0.84 0.00 0.00 0.00 176.54 176.35 1tws h THR 238 N 0.52 1.02 -0.75 4.70 2.02 -0.94 -2.42 112.91 117.06 1tws h THR 238 Ca 0.15 -0.28 0.10 0.00 0.77 0.00 0.00 66.41 67.15 1tws h THR 238 Cb -0.05 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 66.42 1tws h THR 238 CO -0.04 0.15 0.38 1.23 0.37 0.00 0.00 175.52 177.61 1tws h GLY 239 N 0.82 1.15 1.01 2.16 0.00 0.06 -0.21 103.07 108.07 1tws h GLY 239 Ca 0.32 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1tws h GLY 239 CO -0.16 0.05 0.11 0.00 0.00 0.00 0.00 176.54 176.54 1tws h ALA 240 N 1.46 0.76 -0.71 3.60 0.00 -0.84 -0.35 119.26 123.18 1tws h ALA 240 Ca 0.38 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1tws h ALA 240 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1tws h ALA 240 CO -0.29 0.48 0.21 1.79 0.00 0.00 0.00 179.25 181.44 1tws h THR 241 N 0.83 1.26 0.05 0.00 1.35 -1.05 -1.69 112.91 113.66 1tws h THR 241 Ca 0.18 -0.92 0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1tws h THR 241 Cb 0.39 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.30 1tws h THR 241 CO 0.01 0.36 -0.09 0.58 -0.25 0.00 0.00 175.52 176.12 1tws h VAL 242 N 1.05 0.78 -0.75 6.82 2.07 -0.79 -0.43 116.25 125.00 1tws h VAL 242 Ca 0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 1tws h VAL 242 Cb 0.33 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1tws h VAL 242 CO -0.00 0.00 0.41 0.00 0.02 0.00 0.00 177.57 177.99 1tws h LEU 244 N 0.71 0.37 -0.47 0.00 5.85 -1.15 -1.60 115.31 119.01 1tws h LEU 244 Ca 0.36 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1tws h LEU 244 Cb 0.31 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1tws h LEU 244 CO -0.23 0.92 0.13 1.23 -0.34 0.00 0.00 178.44 180.15 1tws h GLY 245 N 1.40 0.80 0.97 3.75 0.00 -0.57 0.85 103.07 110.28 1tws h GLY 245 Ca -0.01 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 1tws h GLY 245 CO 0.11 0.46 -0.11 -2.22 0.00 0.00 0.00 176.54 174.77 1tws h ILE 246 N 0.64 1.28 -0.28 2.60 2.04 -1.19 -1.84 117.51 120.76 1tws h ILE 246 Ca 0.15 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1tws h ILE 246 Cb 0.30 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1tws h ILE 246 CO -0.00 0.40 0.13 -0.08 0.00 0.00 0.00 178.15 178.59 1tws h GLU 247 N 0.56 0.38 -0.17 2.37 4.22 -0.96 -1.95 114.58 119.02 1tws h GLU 247 Ca 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1tws h GLU 247 Cb 0.63 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1tws h GLU 247 CO 0.04 0.31 0.00 1.63 -2.18 0.00 0.00 179.01 178.81 1tws n LYS 248 N -4.44 1.52 -0.03 1.92 5.02 0.27 -4.93 118.16 117.49 1tws n LYS 248 Ca 0.01 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.51 1tws n LYS 248 Cb 0.12 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1tws n LYS 248 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tws n GLY 249 N 0.95 0.99 3.72 0.72 0.00 -0.73 -4.28 105.19 106.56 1tws n GLY 249 Ca 0.12 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1tws n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tws n GLU 251 N -0.58 0.67 -4.11 0.00 4.71 -0.34 -4.73 120.64 116.26 1tws n GLU 251 Ca 0.09 -0.15 -0.14 0.00 -0.01 0.00 0.00 57.16 56.95 1tws n GLU 251 Cb 0.43 -1.49 -0.11 0.00 -1.01 0.00 0.00 31.44 29.26 1tws n GLU 251 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1tws s PHE 252 N -3.25 0.83 -0.01 -0.32 0.40 -1.12 -0.78 117.98 113.73 1tws s PHE 252 Ca -0.08 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 55.71 1tws s PHE 252 Cb 0.12 -0.48 -0.00 0.00 0.51 0.00 0.00 43.02 43.17 1tws s PHE 252 CO 0.84 -0.06 -0.08 0.14 0.70 0.00 0.00 175.22 176.76 1tws s VAL 253 N -1.78 0.63 -0.30 -0.44 -7.23 -0.28 -1.45 120.40 109.55 1tws s VAL 253 Ca -0.04 -0.32 -0.09 0.00 -1.81 0.00 0.00 61.98 59.73 1tws s VAL 253 Cb -0.07 -0.55 -0.00 0.00 0.56 0.00 0.00 36.38 36.31 1tws s VAL 253 CO -0.00 0.19 0.13 -0.60 -0.31 0.00 0.00 175.10 174.51 1tws s ARG 254 N -0.01 3.29 0.05 4.82 3.52 -0.06 -0.11 118.95 130.45 1tws s ARG 254 Ca 0.01 -0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 54.85 1tws s ARG 254 Cb -0.05 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1tws s ARG 254 CO -0.00 -0.41 0.00 0.14 -0.81 0.00 0.00 175.30 174.22 1tws s VAL 255 N 1.58 0.20 -0.12 7.11 -7.23 0.22 -4.17 120.40 117.99 1tws s VAL 255 Ca 0.04 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.52 1tws s VAL 255 Cb -0.17 -1.40 -0.25 0.00 0.56 0.00 0.00 36.38 35.12 1tws s VAL 255 CO 0.05 -0.91 0.35 1.41 -0.31 0.00 0.00 175.10 175.68 1tws n HIS 256 N 0.21 1.13 -3.18 2.82 8.25 -1.26 -1.66 115.22 121.52 1tws n HIS 256 Ca -0.15 0.25 -0.45 0.00 -0.26 0.00 0.00 57.72 57.12 1tws n HIS 256 Cb 0.61 -1.15 -0.01 0.00 1.12 0.00 0.00 29.99 30.56 1tws n HIS 256 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1tws s ASP 257 N -6.90 7.09 0.10 0.41 1.11 -1.26 -4.76 116.67 112.47 1tws s ASP 257 Ca -0.21 -3.12 -0.17 0.00 0.18 0.00 0.00 52.55 49.22 1tws s ASP 257 Cb 0.07 -2.29 -0.06 0.00 1.07 0.00 0.00 42.92 41.71 1tws s ASP 257 CO 0.76 -0.55 1.55 0.58 1.18 0.00 0.00 175.17 178.70 1tws h VAL 258 N 4.36 1.25 -0.30 -1.27 2.07 -1.92 -1.71 116.25 118.72 1tws h VAL 258 Ca 0.21 -0.90 0.03 0.00 0.82 0.00 0.00 66.70 66.85 1tws h VAL 258 Cb 0.92 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1tws h VAL 258 CO 1.05 0.29 0.13 0.50 0.02 0.00 0.00 177.57 179.56 1tws h LYS 259 N 0.32 0.28 -0.02 1.57 3.64 -1.90 0.33 116.57 120.78 1tws h LYS 259 Ca 0.09 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.32 1tws h LYS 259 Cb 0.41 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1tws h LYS 259 CO 0.01 0.18 -0.48 0.93 -2.27 0.00 0.00 179.45 177.82 1tws h GLU 260 N 0.29 0.37 -0.09 1.90 3.07 -1.88 -2.82 114.58 115.41 1tws h GLU 260 Ca 0.13 -0.37 -0.12 0.00 -0.50 0.00 0.00 59.36 58.50 1tws h GLU 260 Cb 0.07 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1tws h GLU 260 CO -0.11 1.03 -0.49 0.52 -1.40 0.00 0.00 179.01 178.57 1tws h MET 261 N -0.15 0.24 -0.63 2.33 2.86 -1.26 -1.83 114.93 116.48 1tws h MET 261 Ca -0.05 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1tws h MET 261 Cb 1.18 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1tws h MET 261 CO 0.10 0.67 0.31 1.03 1.06 0.00 0.00 176.91 180.08 1tws h SER 262 N 0.19 0.82 -0.26 1.22 0.87 -0.92 -0.05 113.55 115.42 1tws h SER 262 Ca 0.01 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 1tws h SER 262 Cb 0.93 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1tws h SER 262 CO 0.08 0.72 -0.04 0.03 -0.53 0.00 0.00 176.83 177.09 1tws h ARG 263 N 0.87 0.49 -0.81 2.24 3.08 -1.29 -2.22 114.38 116.74 1tws h ARG 263 Ca 0.22 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 60.15 1tws h ARG 263 Cb 0.11 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 1tws h ARG 263 CO -0.03 0.69 0.49 0.52 -1.07 0.00 0.00 179.97 180.57 1tws h MET 264 N 0.25 0.88 -0.29 0.04 2.86 -1.06 -2.02 114.93 115.59 1tws h MET 264 Ca 0.07 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 1tws h MET 264 Cb 0.49 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1tws h MET 264 CO 0.02 0.58 -0.36 0.00 1.06 0.00 0.00 176.91 178.21 1tws h ALA 265 N 1.39 0.83 -0.24 6.32 0.00 -1.00 -1.30 119.26 125.26 1tws h ALA 265 Ca 0.35 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1tws h ALA 265 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1tws h ALA 265 CO -0.17 0.64 -0.39 -0.22 0.00 0.00 0.00 179.25 179.11 1tws h LYS 266 N 0.54 0.54 -0.26 0.00 3.64 -1.08 0.58 116.57 120.53 1tws h LYS 266 Ca 0.05 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.10 1tws h LYS 266 Cb 0.87 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1tws h LYS 266 CO 0.08 0.85 -0.10 1.98 -2.27 0.00 0.00 179.45 179.98 1tws h MET 267 N 0.45 0.52 -0.58 1.90 4.05 -1.07 -2.00 114.93 118.20 1tws h MET 267 Ca 0.04 -0.22 0.02 0.00 -0.28 0.00 0.00 59.70 59.27 1tws h MET 267 Cb 0.88 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.62 1tws h MET 267 CO 0.08 0.76 0.36 0.52 0.23 0.00 0.00 176.91 178.86 1tws h MET 268 N 0.26 0.69 -0.80 0.39 2.86 -1.09 -0.42 114.93 116.81 1tws h MET 268 Ca 0.06 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1tws h MET 268 Cb 0.59 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1tws h MET 268 CO 0.03 0.46 0.47 -0.44 1.06 0.00 0.00 176.91 178.49 1tws h ASP 269 N 0.71 0.98 -0.13 1.22 3.45 -0.80 0.27 116.42 122.12 1tws h ASP 269 Ca 0.23 -0.08 -0.12 0.00 0.43 0.00 0.00 57.03 57.49 1tws h ASP 269 Cb 0.00 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 1tws h ASP 269 CO -0.09 0.77 -0.31 0.00 -1.57 0.00 0.00 179.24 178.04 1tws h ALA 270 N 1.25 0.91 -0.21 3.45 0.00 -1.00 -0.71 119.26 122.95 1tws h ALA 270 Ca 0.29 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1tws h ALA 270 Cb -0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1tws h ALA 270 CO -0.05 0.62 -0.54 0.52 0.00 0.00 0.00 179.25 179.80 1tws h MET 271 N 0.53 0.61 -0.00 0.00 2.86 -0.47 -3.18 114.93 115.28 1tws h MET 271 Ca 0.06 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1tws h MET 271 Cb 0.80 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1tws h MET 271 CO 0.07 1.00 -0.32 0.44 1.06 0.00 0.00 176.91 179.15 1tws n ILE 272 N -3.97 0.00 -1.41 -1.22 -5.35 0.03 -4.94 119.36 102.50 1tws n ILE 272 Ca -0.03 -0.02 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1tws n ILE 272 Cb 0.60 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 1tws n ILE 272 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tws n GLY 273 N 1.46 0.71 0.00 3.28 0.00 -0.38 -5.07 105.19 105.18 1tws n GLY 273 Ca 0.07 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.48 1tws n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49