#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hcf s ARG 3 N 0.00 4.24 -0.08 -1.46 0.52 -1.26 -4.91 118.95 115.99 2hcf s ARG 3 Ca 0.00 2.15 0.01 0.00 -0.52 0.00 0.00 55.73 57.38 2hcf s ARG 3 Cb 0.00 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.85 2hcf s ARG 3 CO 0.00 -0.66 -0.11 0.99 0.02 0.00 0.00 175.30 175.54 2hcf s THR 4 N 2.56 3.32 -0.27 0.02 2.01 0.41 -4.88 115.64 118.81 2hcf s THR 4 Ca 0.69 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 62.00 2hcf s THR 4 Cb -0.36 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 2hcf s THR 4 CO 0.29 0.57 0.13 -0.22 -0.69 0.00 0.00 174.62 174.70 2hcf s LEU 5 N -0.42 3.75 -0.19 4.42 2.96 -0.06 -1.09 118.68 128.04 2hcf s LEU 5 Ca 0.05 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 2hcf s LEU 5 Cb -0.12 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.59 2hcf s LEU 5 CO 0.02 -0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.11 2hcf s VAL 6 N 1.66 2.05 -0.16 1.68 1.01 -0.67 -0.29 120.40 125.69 2hcf s VAL 6 Ca 0.06 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 2hcf s VAL 6 Cb -0.16 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 2hcf s VAL 6 CO 0.07 0.44 -0.13 -0.76 0.00 0.00 0.00 175.10 174.71 2hcf s LEU 7 N 1.27 2.57 -0.12 3.92 1.43 0.70 -1.33 118.68 127.12 2hcf s LEU 7 Ca 0.03 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2hcf s LEU 7 Cb -0.14 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2hcf s LEU 7 CO -0.12 0.08 -0.13 -0.36 0.23 0.00 0.00 176.35 176.06 2hcf s PHE 8 N 0.83 2.80 0.71 0.29 0.08 -0.41 -0.21 117.98 122.08 2hcf s PHE 8 Ca -0.04 -0.57 -0.14 0.00 0.12 0.00 0.00 56.93 56.30 2hcf s PHE 8 Cb -0.15 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2hcf s PHE 8 CO -0.00 -0.15 1.14 0.34 -0.10 0.00 0.00 175.22 176.44 2hcf s ASP 9 N 0.21 4.60 0.00 1.36 2.15 -0.10 -1.19 116.67 123.70 2hcf s ASP 9 Ca -0.08 2.09 0.00 0.00 0.43 0.00 0.00 52.55 54.99 2hcf s ASP 9 Cb -0.15 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2hcf s ASP 9 CO 0.05 -1.98 0.00 -0.38 -0.17 0.00 0.00 175.17 172.69 2hcf n ILE 10 N -2.80 0.00 -2.31 4.11 5.41 -1.26 -4.00 119.36 118.51 2hcf n ILE 10 Ca 0.11 0.40 -0.42 0.00 1.00 0.00 0.00 62.75 63.84 2hcf n ILE 10 Cb 0.52 -1.35 -0.03 0.00 -0.71 0.00 0.00 39.64 38.07 2hcf n ILE 10 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2hcf s ASP 11 N -3.21 6.94 0.00 4.38 1.11 -1.26 -0.19 116.67 124.45 2hcf s ASP 11 Ca 0.00 2.06 0.00 0.00 0.18 0.00 0.00 52.55 54.79 2hcf s ASP 11 Cb 0.00 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.42 2hcf s ASP 11 CO 0.00 -0.63 0.00 0.61 1.18 0.00 0.00 175.17 176.33 2hcf n GLY 12 N 3.47 0.64 1.24 0.21 0.00 0.68 -4.79 105.19 106.64 2hcf n GLY 12 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2hcf n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hcf n THR 13 N -2.42 0.72 -0.06 2.61 -1.04 -0.84 -3.31 114.28 109.94 2hcf n THR 13 Ca 0.00 0.24 -0.16 0.00 -2.04 0.00 0.00 64.05 62.09 2hcf n THR 13 Cb 0.04 -1.34 -0.14 0.00 -1.82 0.00 0.00 70.33 67.07 2hcf n THR 13 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2hcf n LEU 14 N -3.34 1.90 -3.90 -4.42 4.77 0.74 -4.82 117.00 107.92 2hcf n LEU 14 Ca 0.00 0.11 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 2hcf n LEU 14 Cb 0.10 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2hcf n LEU 14 CO 0.00 0.72 0.39 -1.48 -1.33 0.00 0.00 177.39 175.69 2hcf s LEU 15 N -6.42 -0.06 0.11 2.23 0.05 -1.07 -1.73 118.68 111.80 2hcf s LEU 15 Ca -0.20 -0.75 0.06 0.00 0.05 0.00 0.00 54.13 53.28 2hcf s LEU 15 Cb 0.07 2.46 -0.04 0.00 -2.05 0.00 0.00 46.19 46.64 2hcf s LEU 15 CO 0.74 -1.32 -0.14 -0.54 -0.55 0.00 0.00 176.35 174.54 2hcf s LYS 16 N -3.81 0.97 0.11 1.48 1.02 -0.30 -0.23 119.74 118.98 2hcf s LYS 16 Ca 0.15 -1.17 0.09 0.00 0.02 0.00 0.00 55.97 55.06 2hcf s LYS 16 Cb -0.04 -0.89 -0.04 0.00 -0.52 0.00 0.00 37.83 36.33 2hcf s LYS 16 CO 0.08 0.18 -0.21 0.08 -0.92 0.00 0.00 175.35 174.56 2hcf s VAL 17 N -1.91 2.68 0.81 3.17 1.01 -1.26 -0.84 120.40 124.06 2hcf s VAL 17 Ca 0.06 -1.54 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 2hcf s VAL 17 Cb -0.06 -2.21 0.08 0.00 0.00 0.00 0.00 36.38 34.19 2hcf s VAL 17 CO 0.03 0.12 1.12 -0.70 0.00 0.00 0.00 175.10 175.67 2hcf s GLU 18 N -2.04 1.88 0.00 2.72 2.56 0.31 -4.90 118.70 119.22 2hcf s GLU 18 Ca 0.17 1.36 -0.09 0.00 0.00 0.00 0.00 54.97 56.40 2hcf s GLU 18 Cb -0.10 -1.84 -0.11 0.00 2.00 0.00 0.00 34.13 34.07 2hcf s GLU 18 CO 0.08 -1.96 1.10 -1.13 -0.56 0.00 0.00 175.26 172.80 2hcf n SER 19 N -3.61 0.27 0.00 -1.70 3.41 -1.26 -4.62 113.62 106.11 2hcf n SER 19 Ca 0.10 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 2hcf n SER 19 Cb 0.52 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2hcf n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2hcf n ASN 21 N 6.00 0.00 -0.03 4.04 4.05 -1.26 -3.23 115.26 124.83 2hcf n ASN 21 Ca 0.14 0.00 -0.01 0.00 0.45 0.00 0.00 54.58 55.16 2hcf n ASN 21 Cb 0.13 0.00 0.27 0.00 1.23 0.00 0.00 39.78 41.41 2hcf n ASN 21 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 2hcf h ARG 22 N 0.00 0.60 0.02 1.20 9.65 -1.98 -2.40 114.38 121.48 2hcf h ARG 22 Ca 0.00 -0.13 -0.21 0.00 -1.10 0.00 0.00 59.98 58.54 2hcf h ARG 22 Cb 0.00 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2hcf h ARG 22 CO 0.00 0.61 -0.96 0.00 2.80 0.00 0.00 179.97 182.42 2hcf h ARG 23 N 0.58 0.17 -0.40 0.20 3.08 -1.94 -1.90 114.38 114.17 2hcf h ARG 23 Ca 0.12 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.98 2hcf h ARG 23 Cb 0.33 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2hcf h ARG 23 CO 0.01 1.00 0.23 0.28 -1.07 0.00 0.00 179.97 180.41 2hcf h VAL 24 N 0.08 1.03 -0.22 2.04 2.07 -1.82 -1.12 116.25 118.30 2hcf h VAL 24 Ca -0.05 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2hcf h VAL 24 Cb 1.62 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2hcf h VAL 24 CO 0.14 0.08 0.10 0.25 0.02 0.00 0.00 177.57 178.17 2hcf h LEU 25 N 0.46 0.29 -0.54 2.57 5.85 -1.35 -1.94 115.31 120.65 2hcf h LEU 25 Ca 0.16 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2hcf h LEU 25 Cb 0.02 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2hcf h LEU 25 CO -0.08 0.35 0.34 0.00 -0.34 0.00 0.00 178.44 178.71 2hcf h ALA 26 N 0.95 0.70 -0.57 1.25 0.00 -1.21 -1.12 119.26 119.27 2hcf h ALA 26 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2hcf h ALA 26 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2hcf h ALA 26 CO -0.01 0.07 0.38 -0.44 0.00 0.00 0.00 179.25 179.24 2hcf h ASP 27 N 0.67 0.63 -0.18 0.00 3.32 -1.15 -0.80 116.42 118.92 2hcf h ASP 27 Ca 0.21 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 2hcf h ASP 27 Cb -0.01 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2hcf h ASP 27 CO -0.08 0.45 -0.54 0.00 -1.72 0.00 0.00 179.24 177.35 2hcf h ALA 28 N 1.65 0.30 -0.55 3.45 0.00 -0.50 -2.24 119.26 121.37 2hcf h ALA 28 Ca 0.21 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2hcf h ALA 28 Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2hcf h ALA 28 CO -0.05 0.51 -0.07 -0.07 0.00 0.00 0.00 179.25 179.57 2hcf h LEU 29 N 0.36 1.00 -0.65 0.00 3.38 -1.04 -1.86 115.31 116.50 2hcf h LEU 29 Ca -0.02 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.68 2hcf h LEU 29 Cb 1.16 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 2hcf h LEU 29 CO 0.12 1.09 0.38 0.40 0.09 0.00 0.00 178.44 180.52 2hcf h ILE 30 N 0.91 1.03 -0.74 1.22 2.04 -1.06 0.26 117.51 121.18 2hcf h ILE 30 Ca 0.15 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2hcf h ILE 30 Cb 0.63 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2hcf h ILE 30 CO 0.04 0.13 0.43 -0.08 0.00 0.00 0.00 178.15 178.68 2hcf h GLU 31 N 0.73 1.00 0.02 2.37 4.81 -1.08 0.10 114.58 122.53 2hcf h GLU 31 Ca 0.27 -0.09 -0.36 0.00 -0.13 0.00 0.00 59.36 59.05 2hcf h GLU 31 Cb 0.09 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 2hcf h GLU 31 CO -0.14 0.71 -2.00 0.28 -0.73 0.00 0.00 179.01 177.13 2hcf n VAL 32 N -4.38 1.56 0.72 0.32 0.31 -0.73 -4.59 118.33 111.54 2hcf n VAL 32 Ca 0.08 -0.32 0.09 0.00 -0.01 0.00 0.00 64.34 64.18 2hcf n VAL 32 Cb 0.08 -1.86 -0.12 0.00 -0.91 0.00 0.00 33.84 31.03 2hcf n VAL 32 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2hcf n TYR 33 N -4.08 0.00 0.00 3.52 4.01 0.89 -4.99 117.16 116.51 2hcf n TYR 33 Ca -0.42 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 2hcf n TYR 33 Cb 0.85 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 2hcf n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hcf n GLY 34 N 1.44 2.47 3.03 2.72 0.00 0.02 -4.99 105.19 109.88 2hcf n GLY 34 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2hcf n GLY 34 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hcf s THR 35 N -2.27 0.46 -2.23 2.61 -1.32 -1.24 -4.77 115.64 106.88 2hcf s THR 35 Ca 0.00 -0.88 0.27 0.00 -1.21 0.00 0.00 61.69 59.87 2hcf s THR 35 Cb 0.00 -0.51 0.66 0.00 -1.51 0.00 0.00 72.50 71.14 2hcf s THR 35 CO 0.00 -0.29 1.89 -1.84 -2.21 0.00 0.00 174.62 172.17 2hcf n GLU 36 N 1.79 1.35 0.00 7.08 0.28 -1.26 -3.02 120.64 126.85 2hcf n GLU 36 Ca -0.21 -0.51 0.00 0.00 -0.16 0.00 0.00 57.16 56.28 2hcf n GLU 36 Cb 0.55 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.97 2hcf n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2hcf n GLY 37 N 1.06 -0.41 3.15 -1.84 0.00 -1.26 -4.79 105.19 101.11 2hcf n GLY 37 Ca 0.20 -1.07 0.03 0.00 0.00 0.00 0.00 46.02 45.17 2hcf n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hcf s SER 38 N -4.00 -1.27 -0.38 1.61 0.15 -0.44 -4.98 113.70 104.39 2hcf s SER 38 Ca 0.00 0.86 0.04 0.00 0.70 0.00 0.00 55.95 57.55 2hcf s SER 38 Cb 0.00 2.10 0.31 0.00 -1.71 0.00 0.00 66.02 66.73 2hcf s SER 38 CO 0.00 -0.26 1.25 1.07 1.20 0.00 0.00 173.24 176.50 2hcf n THR 39 N 5.43 0.00 -3.02 6.45 5.66 -1.26 -4.61 114.28 122.93 2hcf n THR 39 Ca -0.02 -1.00 -0.31 0.00 -3.05 0.00 0.00 64.05 59.67 2hcf n THR 39 Cb 0.51 1.25 -0.05 0.00 -1.55 0.00 0.00 70.33 70.49 2hcf n THR 39 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2hcf s ASP 43 N -0.68 6.66 -0.13 1.09 1.47 -1.26 -5.01 116.67 118.81 2hcf s ASP 43 Ca 0.22 1.21 0.16 0.00 1.18 0.00 0.00 52.55 55.32 2hcf s ASP 43 Cb 0.28 -2.35 0.61 0.00 -0.34 0.00 0.00 42.92 41.12 2hcf s ASP 43 CO -0.14 -0.29 1.52 0.49 0.68 0.00 0.00 175.17 177.43 2hcf n PHE 44 N -0.77 1.23 -1.67 2.11 3.72 -1.26 -4.96 117.46 115.86 2hcf n PHE 44 Ca 0.03 -0.69 -0.52 0.00 -0.05 0.00 0.00 57.45 56.23 2hcf n PHE 44 Cb 0.53 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 38.75 2hcf n PHE 44 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2hcf n SER 45 N 0.46 2.63 0.00 4.37 7.64 -1.26 -1.75 113.62 125.71 2hcf n SER 45 Ca 0.22 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2hcf n SER 45 Cb 0.86 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2hcf n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hcf n GLY 46 N 3.71 1.05 0.00 0.23 0.00 -1.26 -4.94 105.19 103.98 2hcf n GLY 46 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2hcf n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hcf n LYS 47 N -2.00 0.00 -0.11 1.61 5.02 -0.72 -4.83 118.16 117.12 2hcf n LYS 47 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2hcf n LYS 47 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 34.89 2hcf n LYS 47 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2hcf n ASP 49 N 0.00 1.62 -0.04 4.39 8.00 0.57 -4.49 116.55 126.60 2hcf n ASP 49 Ca 0.00 -0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 2hcf n ASP 49 Cb 0.00 -0.02 0.05 0.00 -0.02 0.00 0.00 41.12 41.13 2hcf n ASP 49 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2hcf h GLY 50 N 2.38 0.74 1.76 0.44 0.00 -1.85 -2.22 103.07 104.34 2hcf h GLY 50 Ca -0.54 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 45.88 2hcf h GLY 50 CO -0.05 0.71 -0.50 0.00 0.00 0.00 0.00 176.54 176.70 2hcf h ALA 51 N 0.95 0.98 -0.61 3.60 0.00 -1.91 -2.21 119.26 120.07 2hcf h ALA 51 Ca 0.04 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2hcf h ALA 51 Cb 0.99 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2hcf h ALA 51 CO 0.09 0.65 0.15 0.82 0.00 0.00 0.00 179.25 180.97 2hcf h ILE 52 N 0.21 1.25 -0.25 0.00 2.04 -1.86 -0.49 117.51 118.41 2hcf h ILE 52 Ca 0.01 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 2hcf h ILE 52 Cb 0.95 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 2hcf h ILE 52 CO 0.08 0.34 0.14 0.40 0.00 0.00 0.00 178.15 179.10 2hcf h ILE 53 N 0.88 1.12 -0.77 -0.67 2.04 -1.09 -1.59 117.51 117.43 2hcf h ILE 53 Ca 0.19 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2hcf h ILE 53 Cb 0.34 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2hcf h ILE 53 CO 0.00 0.12 0.33 1.88 0.00 0.00 0.00 178.15 180.48 2hcf h TYR 54 N 0.30 1.15 0.41 1.37 0.05 -1.24 -2.89 116.97 116.12 2hcf h TYR 54 Ca 0.09 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2hcf h TYR 54 Cb 0.06 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.46 2hcf h TYR 54 CO -0.03 0.86 -0.20 1.49 -1.05 0.00 0.00 178.16 179.23 2hcf h GLU 55 N 1.10 -0.53 -0.12 4.88 4.81 -0.79 0.78 114.58 124.71 2hcf h GLU 55 Ca 0.26 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 2hcf h GLU 55 Cb 0.18 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2hcf h GLU 55 CO -0.03 -0.22 -0.15 -0.39 -0.73 0.00 0.00 179.01 177.49 2hcf h VAL 56 N -0.84 1.18 0.07 0.32 -1.51 -1.34 -1.08 116.25 113.04 2hcf h VAL 56 Ca -0.06 -0.78 -0.21 0.00 -1.23 0.00 0.00 66.70 64.42 2hcf h VAL 56 Cb 0.55 1.25 0.02 0.00 -2.13 0.00 0.00 31.29 30.98 2hcf h VAL 56 CO 0.09 0.24 -0.86 -0.07 -1.23 0.00 0.00 177.57 175.74 2hcf h LEU 57 N 0.18 0.64 -1.59 4.19 3.38 -1.54 -1.17 115.31 119.40 2hcf h LEU 57 Ca 0.04 -0.83 -0.05 0.00 0.09 0.00 0.00 57.88 57.13 2hcf h LEU 57 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2hcf h LEU 57 CO 0.02 1.40 -0.22 0.77 0.09 0.00 0.00 178.44 180.50 2hcf h SER 58 N -0.04 0.00 -0.45 -0.43 4.64 -0.44 -2.16 113.55 114.68 2hcf h SER 58 Ca -0.13 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2hcf h SER 58 Cb 1.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.66 2hcf h SER 58 CO 0.17 0.22 0.30 0.78 -0.87 0.00 0.00 176.83 177.43 2hcf h ASN 59 N 0.00 0.29 -0.40 4.97 2.35 -1.27 -1.79 115.58 119.73 2hcf h ASN 59 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2hcf h ASN 59 Cb 0.41 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2hcf h ASN 59 CO 0.03 0.19 0.00 1.33 -1.65 0.00 0.00 177.43 177.33 2hcf n VAL 60 N -4.47 0.52 0.00 2.81 0.24 -0.83 -4.94 118.33 111.66 2hcf n VAL 60 Ca 0.06 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2hcf n VAL 60 Cb 0.28 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 2hcf n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hcf n GLY 61 N 1.36 0.74 3.75 7.63 0.00 -0.67 -5.09 105.19 112.91 2hcf n GLY 61 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2hcf n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hcf s LEU 62 N 0.00 4.42 0.57 0.99 1.02 -1.12 -5.01 118.68 119.56 2hcf s LEU 62 Ca 0.00 2.56 -0.16 0.00 0.02 0.00 0.00 54.13 56.55 2hcf s LEU 62 Cb 0.00 -3.63 -0.05 0.00 0.02 0.00 0.00 46.19 42.54 2hcf s LEU 62 CO 0.00 -0.56 1.04 -1.61 0.02 0.00 0.00 176.35 175.24 2hcf s GLU 63 N -0.79 3.47 0.21 1.70 0.41 -1.26 -4.34 118.70 118.10 2hcf s GLU 63 Ca 0.54 1.14 -0.10 0.00 -0.41 0.00 0.00 54.97 56.15 2hcf s GLU 63 Cb -0.39 -2.06 0.20 0.00 -1.78 0.00 0.00 34.13 30.11 2hcf s GLU 63 CO 0.44 -0.68 1.83 0.00 -0.49 0.00 0.00 175.26 176.37 2hcf h ARG 64 N 0.55 0.77 -0.82 1.61 3.08 -1.97 -1.47 114.38 116.14 2hcf h ARG 64 Ca -0.47 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.55 2hcf h ARG 64 Cb 1.21 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 2hcf h ARG 64 CO 0.58 0.51 0.54 0.00 -1.07 0.00 0.00 179.97 180.54 2hcf h ALA 65 N 1.31 1.45 -0.47 0.04 0.00 -1.98 0.18 119.26 119.77 2hcf h ALA 65 Ca 0.28 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2hcf h ALA 65 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2hcf h ALA 65 CO -0.13 0.50 -0.09 1.49 0.00 0.00 0.00 179.25 181.02 2hcf h GLU 66 N 1.08 0.90 -0.12 0.00 4.81 -1.70 -1.96 114.58 117.59 2hcf h GLU 66 Ca 0.31 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2hcf h GLU 66 Cb -0.07 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2hcf h GLU 66 CO -0.08 0.98 0.04 0.82 -0.73 0.00 0.00 179.01 180.04 2hcf h ILE 67 N 0.74 1.17 -0.95 2.32 2.04 -0.66 -3.14 117.51 119.04 2hcf h ILE 67 Ca 0.12 -0.52 0.11 0.00 1.00 0.00 0.00 64.86 65.58 2hcf h ILE 67 Cb 0.63 1.30 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 2hcf h ILE 67 CO 0.04 0.15 0.60 0.00 0.00 0.00 0.00 178.15 178.95 2hcf h ALA 68 N 0.86 1.60 -0.68 1.87 0.00 -0.60 -1.92 119.26 120.40 2hcf h ALA 68 Ca 0.04 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2hcf h ALA 68 Cb 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2hcf h ALA 68 CO -0.00 0.18 0.45 0.22 0.00 0.00 0.00 179.25 180.10 2hcf h ASP 69 N 0.92 0.48 -0.14 0.00 3.58 -1.30 -2.63 116.42 117.34 2hcf h ASP 69 Ca 0.45 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.92 2hcf h ASP 69 Cb 0.47 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2hcf h ASP 69 CO -0.22 0.28 0.00 0.29 -2.88 0.00 0.00 179.24 176.72 2hcf n LYS 70 N -4.48 2.72 -0.01 0.28 5.02 -0.99 -4.81 118.16 115.89 2hcf n LYS 70 Ca 0.11 -1.96 -0.10 0.00 -2.02 0.00 0.00 58.31 54.34 2hcf n LYS 70 Cb 0.36 -1.24 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 2hcf n LYS 70 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 2hcf h PHE 71 N 0.82 -0.09 -0.82 2.13 3.04 -0.96 -1.24 116.94 119.80 2hcf h PHE 71 Ca 0.00 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.96 2hcf h PHE 71 Cb 0.74 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.27 2hcf h PHE 71 CO 0.12 -0.07 0.50 -0.44 -2.02 0.00 0.00 178.31 176.41 2hcf h ASP 72 N -0.02 0.99 -0.73 0.41 3.32 -1.87 0.16 116.42 118.68 2hcf h ASP 72 Ca 0.06 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2hcf h ASP 72 Cb 0.11 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 2hcf h ASP 72 CO -0.13 0.76 0.28 0.50 -1.72 0.00 0.00 179.24 178.93 2hcf h LYS 73 N 1.13 1.09 -0.36 3.56 3.64 -1.85 -1.06 116.57 122.73 2hcf h LYS 73 Ca 0.30 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2hcf h LYS 73 Cb -0.05 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 2hcf h LYS 73 CO -0.06 0.90 0.21 0.00 -2.27 0.00 0.00 179.45 178.23 2hcf h ALA 74 N 1.14 0.45 0.07 5.00 0.00 -0.32 -0.73 119.26 124.87 2hcf h ALA 74 Ca 0.24 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2hcf h ALA 74 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2hcf h ALA 74 CO -0.02 -0.14 -0.27 -0.22 0.00 0.00 0.00 179.25 178.60 2hcf h LYS 75 N 0.42 -0.44 -0.81 0.00 3.64 -0.47 -1.02 116.57 117.89 2hcf h LYS 75 Ca 0.14 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2hcf h LYS 75 Cb 0.01 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2hcf h LYS 75 CO -0.07 -0.29 0.43 0.93 -2.27 0.00 0.00 179.45 178.18 2hcf h GLU 76 N -0.45 1.14 -0.29 1.90 5.08 -1.03 -1.19 114.58 119.73 2hcf h GLU 76 Ca 0.04 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2hcf h GLU 76 Cb 0.51 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2hcf h GLU 76 CO -0.19 0.84 0.06 1.15 -1.00 0.00 0.00 179.01 179.87 2hcf h THR 77 N 1.14 1.23 -0.15 1.13 2.02 -0.95 -1.53 112.91 115.79 2hcf h THR 77 Ca 0.28 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.72 2hcf h THR 77 Cb 0.05 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 2hcf h THR 77 CO -0.04 0.25 -0.03 0.22 0.37 0.00 0.00 175.52 176.29 2hcf h TYR 78 N 0.31 -0.06 -0.13 3.16 3.20 -0.80 -0.08 116.97 122.56 2hcf h TYR 78 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2hcf h TYR 78 Cb 0.32 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 2hcf h TYR 78 CO 0.02 -0.05 0.08 0.82 -1.64 0.00 0.00 178.16 177.39 2hcf h ILE 79 N 0.01 1.06 -0.59 1.81 2.04 -1.16 0.58 117.51 121.25 2hcf h ILE 79 Ca 0.07 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2hcf h ILE 79 Cb 0.10 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2hcf h ILE 79 CO -0.14 0.05 0.26 0.00 0.00 0.00 0.00 178.15 178.32 2hcf h ALA 80 N 1.02 0.77 -0.58 1.87 0.00 -1.12 -0.95 119.26 120.27 2hcf h ALA 80 Ca 0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2hcf h ALA 80 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2hcf h ALA 80 CO -0.01 0.35 -0.01 1.25 0.00 0.00 0.00 179.25 180.84 2hcf h LEU 81 N 0.81 1.00 -0.34 0.00 5.85 -0.75 -0.96 115.31 120.92 2hcf h LEU 81 Ca 0.20 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2hcf h LEU 81 Cb 0.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2hcf h LEU 81 CO -0.02 1.06 0.18 0.15 -0.34 0.00 0.00 178.44 179.47 2hcf h PHE 82 N 0.93 0.47 0.00 1.25 3.57 -0.60 -0.87 116.94 121.69 2hcf h PHE 82 Ca 0.17 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2hcf h PHE 82 Cb 0.55 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2hcf h PHE 82 CO 0.04 0.38 -0.28 0.00 -2.23 0.00 0.00 178.31 176.21 2hcf h ARG 83 N 0.42 0.00 -0.07 1.11 3.08 -0.90 -0.87 114.38 117.15 2hcf h ARG 83 Ca 0.12 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 2hcf h ARG 83 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.13 2hcf h ARG 83 CO -0.02 0.28 -0.63 1.49 -1.07 0.00 0.00 179.97 180.02 2hcf h GLU 84 N 0.00 0.55 0.03 0.04 4.81 -0.73 -3.39 114.58 115.88 2hcf h GLU 84 Ca -0.00 -0.50 -0.36 0.00 -0.13 0.00 0.00 59.36 58.37 2hcf h GLU 84 Cb 0.51 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 2hcf h GLU 84 CO 0.04 1.13 -2.21 0.54 -0.73 0.00 0.00 179.01 177.77 2hcf n ARG 85 N -4.15 0.68 -1.84 1.92 1.74 -0.37 -4.96 116.66 109.69 2hcf n ARG 85 Ca -0.09 0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.73 2hcf n ARG 85 Cb 0.67 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2hcf n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hcf s ALA 86 N -2.53 3.58 0.25 7.54 0.00 -0.36 -5.03 121.76 125.20 2hcf s ALA 86 Ca -0.19 1.54 0.05 0.00 0.00 0.00 0.00 51.96 53.36 2hcf s ALA 86 Cb 0.07 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 2hcf s ALA 86 CO 0.75 -1.00 -0.04 1.03 0.00 0.00 0.00 175.76 176.49 2hcf s ARG 87 N -1.91 1.41 0.34 0.00 1.81 -1.26 -4.96 118.95 114.38 2hcf s ARG 87 Ca 0.53 -1.71 0.10 0.00 -1.72 0.00 0.00 55.73 52.93 2hcf s ARG 87 Cb -0.46 -0.87 0.85 0.00 -0.45 0.00 0.00 34.95 34.03 2hcf s ARG 87 CO 0.61 -0.02 1.81 -0.09 -0.68 0.00 0.00 175.30 176.93 2hcf h ARG 88 N 2.41 0.63 0.00 3.54 9.65 -1.95 0.11 114.38 128.77 2hcf h ARG 88 Ca -0.39 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 2hcf h ARG 88 Cb 1.23 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2hcf h ARG 88 CO 0.66 0.42 0.00 0.39 2.80 0.00 0.00 179.97 184.23 2hcf n GLU 89 N -4.66 0.15 0.08 0.20 4.71 -1.26 -1.35 120.64 118.51 2hcf n GLU 89 Ca 0.22 0.48 0.13 0.00 -0.01 0.00 0.00 57.16 57.98 2hcf n GLU 89 Cb 0.61 -1.85 0.41 0.00 -1.01 0.00 0.00 31.44 29.59 2hcf n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2hcf n ASP 90 N -2.15 0.66 -4.51 1.62 8.00 0.37 -4.85 116.55 115.69 2hcf n ASP 90 Ca 0.01 0.49 -0.34 0.00 0.71 0.00 0.00 54.79 55.66 2hcf n ASP 90 Cb 0.16 -0.61 -0.12 0.00 -0.02 0.00 0.00 41.12 40.53 2hcf n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2hcf s ILE 91 N -3.09 3.76 -0.24 0.53 -1.09 -0.46 -0.53 121.20 120.08 2hcf s ILE 91 Ca 0.11 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.11 2hcf s ILE 91 Cb 0.14 -2.61 0.04 0.00 -1.58 0.00 0.00 42.46 38.44 2hcf s ILE 91 CO 0.60 0.53 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.86 2hcf s THR 92 N 0.05 2.57 0.12 2.92 2.01 -0.02 -4.99 115.64 118.31 2hcf s THR 92 Ca -0.01 -1.19 -0.31 0.00 0.31 0.00 0.00 61.69 60.49 2hcf s THR 92 Cb -0.14 -2.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.97 2hcf s THR 92 CO 0.03 0.17 1.27 -0.22 -0.69 0.00 0.00 174.62 175.18 2hcf s LEU 93 N 1.26 4.39 0.88 4.42 2.96 -1.26 -1.15 118.68 130.17 2hcf s LEU 93 Ca -0.02 2.20 -0.12 0.00 -0.22 0.00 0.00 54.13 55.97 2hcf s LEU 93 Cb -0.17 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.05 2hcf s LEU 93 CO -0.06 -0.51 1.16 -0.76 -1.32 0.00 0.00 176.35 174.86 2hcf s LEU 94 N 0.69 2.22 0.07 -0.68 1.43 -0.71 -4.93 118.68 116.77 2hcf s LEU 94 Ca 0.59 0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 54.24 2hcf s LEU 94 Cb -0.33 -3.23 -0.08 0.00 0.03 0.00 0.00 46.19 42.58 2hcf s LEU 94 CO 0.32 -2.32 1.63 -0.70 0.23 0.00 0.00 176.35 175.50 2hcf s GLU 95 N -5.43 4.21 0.00 1.70 2.12 -1.26 -2.93 118.70 117.11 2hcf s GLU 95 Ca 0.64 2.31 0.00 0.00 0.36 0.00 0.00 54.97 58.27 2hcf s GLU 95 Cb -0.13 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2hcf s GLU 95 CO 0.52 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 2hcf n GLY 96 N 3.95 0.90 0.10 -1.50 0.00 -1.26 -3.78 105.19 103.60 2hcf n GLY 96 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2hcf n GLY 96 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hcf h VAL 97 N 0.00 1.21 -0.58 1.61 2.07 -1.81 -1.25 116.25 117.50 2hcf h VAL 97 Ca 0.00 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 2hcf h VAL 97 Cb 0.00 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2hcf h VAL 97 CO 0.00 0.20 0.11 -0.09 0.02 0.00 0.00 177.57 177.81 2hcf h ARG 98 N 0.02 0.95 -0.89 1.57 2.43 -1.92 -1.12 114.38 115.43 2hcf h ARG 98 Ca 0.04 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 59.00 2hcf h ARG 98 Cb 0.29 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 2hcf h ARG 98 CO 0.00 0.90 0.58 0.93 -1.51 0.00 0.00 179.97 180.86 2hcf h GLU 99 N 0.86 1.08 -0.22 0.20 3.07 -1.96 -0.70 114.58 116.91 2hcf h GLU 99 Ca 0.18 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 2hcf h GLU 99 Cb 0.39 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2hcf h GLU 99 CO 0.01 0.72 -0.35 1.25 -1.40 0.00 0.00 179.01 179.23 2hcf h LEU 100 N 1.12 0.70 -0.58 1.33 5.85 -0.75 -2.14 115.31 120.83 2hcf h LEU 100 Ca 0.36 -0.52 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 2hcf h LEU 100 Cb 0.01 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2hcf h LEU 100 CO -0.12 1.09 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.85 2hcf h LEU 101 N 0.33 0.99 -0.54 2.25 3.38 -1.00 -1.50 115.31 119.22 2hcf h LEU 101 Ca 0.02 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2hcf h LEU 101 Cb 0.94 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2hcf h LEU 101 CO 0.08 1.12 0.30 0.44 0.09 0.00 0.00 178.44 180.47 2hcf h ASP 102 N 0.87 0.46 -0.81 -0.43 3.32 -1.09 -0.61 116.42 118.12 2hcf h ASP 102 Ca 0.13 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 2hcf h ASP 102 Cb 0.70 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 2hcf h ASP 102 CO 0.05 0.32 0.40 0.00 -1.72 0.00 0.00 179.24 178.29 2hcf h ALA 103 N 1.27 1.16 0.01 3.45 0.00 -1.06 -2.80 119.26 121.29 2hcf h ALA 103 Ca 0.23 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2hcf h ALA 103 Cb 0.09 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.57 2hcf h ALA 103 CO -0.13 0.64 -0.88 -0.07 0.00 0.00 0.00 179.25 178.81 2hcf h LEU 104 N 1.16 0.76 -0.60 0.00 3.38 -1.10 -3.36 115.31 115.56 2hcf h LEU 104 Ca 0.28 -0.75 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2hcf h LEU 104 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2hcf h LEU 104 CO -0.04 1.42 -0.20 0.77 0.09 0.00 0.00 178.44 180.48 2hcf h SER 105 N 0.19 0.00 1.05 -0.43 4.64 -1.08 -2.53 113.55 115.38 2hcf h SER 105 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2hcf h SER 105 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 2hcf h SER 105 CO 0.17 0.20 0.00 -1.54 -0.87 0.00 0.00 176.83 174.80 2hcf n SER 106 N -3.23 0.66 -4.68 4.97 3.41 -1.06 -4.76 113.62 108.93 2hcf n SER 106 Ca 0.02 0.61 -0.40 0.00 -0.26 0.00 0.00 58.87 58.84 2hcf n SER 106 Cb 0.51 -0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 2hcf n SER 106 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2hcf s ARG 107 N -3.19 4.30 0.37 4.33 0.52 -0.96 -4.97 118.95 119.36 2hcf s ARG 107 Ca 0.08 0.75 0.10 0.00 -0.52 0.00 0.00 55.73 56.14 2hcf s ARG 107 Cb 0.11 -3.53 0.73 0.00 0.52 0.00 0.00 34.95 32.78 2hcf s ARG 107 CO 0.48 -0.14 1.86 0.66 0.02 0.00 0.00 175.30 178.18 2hcf h SER 108 N 7.19 0.15 0.00 0.23 4.64 -1.87 -2.81 113.55 121.08 2hcf h SER 108 Ca -0.34 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2hcf h SER 108 Cb 1.16 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2hcf h SER 108 CO 0.78 0.41 0.00 -0.90 -0.87 0.00 0.00 176.83 176.25 2hcf n ASP 109 N -4.19 0.00 -4.42 4.97 5.75 -1.26 -4.76 116.55 112.64 2hcf n ASP 109 Ca -0.01 -0.98 -0.33 0.00 -0.01 0.00 0.00 54.79 53.46 2hcf n ASP 109 Cb 0.34 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.29 2hcf n ASP 109 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2hcf s VAL 110 N -2.00 3.25 -0.21 2.12 1.01 -1.06 -0.45 120.40 123.06 2hcf s VAL 110 Ca 0.38 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 2hcf s VAL 110 Cb 0.17 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2hcf s VAL 110 CO 0.29 0.53 -0.01 -0.22 0.00 0.00 0.00 175.10 175.69 2hcf s LEU 111 N 0.17 3.11 -0.07 3.92 2.96 -0.25 -4.91 118.68 123.61 2hcf s LEU 111 Ca -0.06 -0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 2hcf s LEU 111 Cb -0.15 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 2hcf s LEU 111 CO 0.04 0.02 0.30 -0.76 -1.32 0.00 0.00 176.35 174.64 2hcf s LEU 112 N 1.24 4.39 0.20 -0.68 1.43 -1.26 -1.67 118.68 122.35 2hcf s LEU 112 Ca 0.03 0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 53.79 2hcf s LEU 112 Cb -0.15 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 2hcf s LEU 112 CO 0.00 0.29 0.24 -0.83 0.23 0.00 0.00 176.35 176.29 2hcf s GLY 113 N -0.68 1.04 -0.05 -3.19 0.00 -0.44 -4.00 107.32 99.99 2hcf s GLY 113 Ca 0.20 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.53 2hcf s GLY 113 CO 0.08 -1.11 0.09 1.08 0.00 0.00 0.00 173.10 173.24 2hcf s LEU 114 N -3.09 4.00 -0.26 0.66 1.43 -0.91 -1.29 118.68 119.23 2hcf s LEU 114 Ca 0.31 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2hcf s LEU 114 Cb 0.04 -2.15 0.09 0.00 0.03 0.00 0.00 46.19 44.20 2hcf s LEU 114 CO 0.09 0.33 0.10 -0.22 0.23 0.00 0.00 176.35 176.88 2hcf s LEU 115 N -1.37 1.02 0.03 1.79 0.20 -0.33 -0.69 118.68 119.34 2hcf s LEU 115 Ca 0.19 -1.17 -0.05 0.00 0.69 0.00 0.00 54.13 53.80 2hcf s LEU 115 Cb -0.12 -0.50 -0.01 0.00 -0.43 0.00 0.00 46.19 45.13 2hcf s LEU 115 CO 0.09 -0.39 0.08 0.28 -0.29 0.00 0.00 176.35 176.11 2hcf s THR 116 N 1.95 0.13 -0.85 3.68 -1.32 -0.79 -3.27 115.64 115.18 2hcf s THR 116 Ca 0.06 -1.09 0.27 0.00 -1.21 0.00 0.00 61.69 59.72 2hcf s THR 116 Cb -0.16 -0.83 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 2hcf s THR 116 CO -0.24 -0.60 1.83 0.61 -2.21 0.00 0.00 174.62 174.01 2hcf n GLY 117 N 0.86 -1.58 3.77 6.08 0.00 -1.26 -3.49 105.19 109.57 2hcf n GLY 117 Ca -0.19 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2hcf n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hcf s ASN 118 N -3.81 6.48 0.51 1.61 0.01 -1.26 -0.31 114.94 118.16 2hcf s ASN 118 Ca 0.12 2.43 -0.22 0.00 -0.71 0.00 0.00 52.86 54.48 2hcf s ASN 118 Cb 0.15 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 39.12 2hcf s ASN 118 CO 0.55 -0.71 1.17 0.49 -1.51 0.00 0.00 177.10 177.09 2hcf n PHE 119 N 0.12 1.67 -0.22 2.20 3.72 -1.26 -1.16 117.46 122.53 2hcf n PHE 119 Ca 0.04 0.47 -0.02 0.00 -0.05 0.00 0.00 57.45 57.89 2hcf n PHE 119 Cb 0.46 -2.28 0.09 0.00 -0.94 0.00 0.00 39.48 36.80 2hcf n PHE 119 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2hcf h GLU 120 N 1.36 0.64 -0.50 -1.08 4.81 -1.95 0.95 114.58 118.82 2hcf h GLU 120 Ca -0.48 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.58 2hcf h GLU 120 Cb 1.32 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2hcf h GLU 120 CO 0.56 0.42 -0.18 0.00 -0.73 0.00 0.00 179.01 179.09 2hcf h ALA 121 N 1.33 0.74 0.20 2.92 0.00 -1.99 0.41 119.26 122.88 2hcf h ALA 121 Ca 0.29 -0.38 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 2hcf h ALA 121 Cb 0.17 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 17.81 2hcf h ALA 121 CO -0.18 0.67 -1.40 0.66 0.00 0.00 0.00 179.25 179.00 2hcf h SER 122 N 0.86 0.67 -0.48 0.00 4.64 -1.88 -2.31 113.55 115.04 2hcf h SER 122 Ca 0.12 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2hcf h SER 122 Cb 0.75 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 2hcf h SER 122 CO 0.06 1.57 0.32 1.23 -0.87 0.00 0.00 176.83 179.14 2hcf h GLY 123 N 0.78 0.68 2.00 -0.77 0.00 -0.74 -1.39 103.07 103.63 2hcf h GLY 123 Ca -0.21 -0.26 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 2hcf h GLY 123 CO 0.24 0.25 -0.51 3.21 0.00 0.00 0.00 176.54 179.74 2hcf h ARG 124 N 0.65 0.00 -0.56 4.80 3.08 -0.98 -2.63 114.38 118.75 2hcf h ARG 124 Ca 0.18 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 2hcf h ARG 124 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2hcf h ARG 124 CO -0.04 0.51 0.02 1.25 -1.07 0.00 0.00 179.97 180.65 2hcf h HIS 125 N 0.00 1.05 -0.96 3.04 2.76 -1.11 0.63 115.15 120.56 2hcf h HIS 125 Ca -0.01 -0.17 0.09 0.00 -2.20 0.00 0.00 60.37 58.08 2hcf h HIS 125 Cb 1.03 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.64 2hcf h HIS 125 CO 0.00 0.94 0.60 0.87 -1.30 0.00 0.00 177.93 179.05 2hcf h LYS 126 N 0.85 1.00 -0.02 5.26 1.57 -0.95 -2.43 116.57 121.85 2hcf h LYS 126 Ca 0.16 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.69 2hcf h LYS 126 Cb 0.51 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2hcf h LYS 126 CO 0.02 0.66 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.68 2hcf h LEU 127 N 1.03 0.32 -0.76 2.94 3.38 -1.11 -3.29 115.31 117.80 2hcf h LEU 127 Ca 0.45 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2hcf h LEU 127 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2hcf h LEU 127 CO -0.22 1.00 -0.29 0.11 0.09 0.00 0.00 178.44 179.13 2hcf h LYS 128 N 0.16 0.61 0.26 1.13 1.57 -0.54 -0.67 116.57 119.08 2hcf h LYS 128 Ca -0.04 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 2hcf h LYS 128 Cb 1.41 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2hcf h LYS 128 CO 0.13 0.84 -0.37 -0.07 -0.57 0.00 0.00 179.45 179.40 2hcf h LEU 129 N 0.53 -1.05 0.00 2.94 3.38 -1.51 -1.79 115.31 117.80 2hcf h LEU 129 Ca 0.07 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2hcf h LEU 129 Cb 0.77 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2hcf h LEU 129 CO 0.06 -0.49 0.00 -0.81 0.09 0.00 0.00 178.44 177.29 2hcf n PRO 130 N -5.46 0.99 -2.75 1.13 -0.04 -1.24 -4.91 135.00 122.73 2hcf n PRO 130 Ca -0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.31 2hcf n PRO 130 Cb 0.37 -1.29 0.02 0.00 -0.04 0.00 0.00 33.50 32.56 2hcf n PRO 130 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hcf n GLY 131 N 0.78 0.53 0.06 0.55 0.00 -0.67 -4.96 105.19 101.48 2hcf n GLY 131 Ca 0.14 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.76 2hcf n GLY 131 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2hcf n ILE 132 N -3.22 1.26 0.01 -0.61 -5.35 -0.31 -4.74 119.36 106.39 2hcf n ILE 132 Ca -0.00 -1.41 -0.10 0.00 -0.27 0.00 0.00 62.75 60.97 2hcf n ILE 132 Cb 0.52 0.22 0.05 0.00 -1.74 0.00 0.00 39.64 38.69 2hcf n ILE 132 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 2hcf h ASP 133 N 0.00 0.62 -0.10 7.28 3.58 -1.86 -3.26 116.42 122.68 2hcf h ASP 133 Ca 0.00 -0.34 0.03 0.00 0.42 0.00 0.00 57.03 57.14 2hcf h ASP 133 Cb 0.79 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2hcf h ASP 133 CO 0.00 1.06 0.21 1.12 -2.88 0.00 0.00 179.24 178.75 2hcf h HIS 134 N 0.42 0.00 0.00 0.28 2.07 -1.91 -1.51 115.15 114.50 2hcf h HIS 134 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2hcf h HIS 134 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2hcf h HIS 134 CO 0.05 0.00 0.00 1.88 -3.07 0.00 0.00 177.93 176.79 2hcf h TYR 135 N 0.00 0.00 -3.54 6.12 0.05 -1.93 -3.42 116.97 114.25 2hcf h TYR 135 Ca 0.05 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 58.15 2hcf h TYR 135 Cb 0.46 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 37.84 2hcf h TYR 135 CO 0.00 0.00 -0.58 -0.06 -1.05 0.00 0.00 178.16 176.47 2hcf s PHE 136 N -3.54 3.57 -0.53 4.88 0.08 -0.57 -4.74 117.98 117.13 2hcf s PHE 136 Ca 0.02 -2.71 0.25 0.00 0.12 0.00 0.00 56.93 54.61 2hcf s PHE 136 Cb 0.09 -3.10 0.93 0.00 -0.57 0.00 0.00 43.02 40.38 2hcf s PHE 136 CO 0.49 -0.92 1.75 -1.00 -0.10 0.00 0.00 175.22 175.43 2hcf h PRO 137 N 7.60 0.00 -2.88 0.24 0.13 -1.82 -3.47 132.00 131.80 2hcf h PRO 137 Ca -0.08 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2hcf h PRO 137 Cb 1.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2hcf h PRO 137 CO 0.65 0.00 0.33 -0.59 -0.23 0.00 0.00 178.00 178.16 2hcf s PHE 138 N -3.26 0.03 0.01 1.56 -0.71 -1.26 -5.12 117.98 109.23 2hcf s PHE 138 Ca 0.06 -0.60 -0.19 0.00 -1.04 0.00 0.00 56.93 55.16 2hcf s PHE 138 Cb 0.10 0.78 0.06 0.00 -1.21 0.00 0.00 43.02 42.76 2hcf s PHE 138 CO 0.48 -1.36 0.89 0.41 -1.34 0.00 0.00 175.22 174.30 2hcf n GLY 139 N -0.54 0.42 3.41 1.99 0.00 -1.26 -2.13 105.19 107.08 2hcf n GLY 139 Ca -0.07 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2hcf n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hcf s ALA 140 N -1.73 2.45 0.33 4.61 0.00 0.14 -4.81 121.76 122.75 2hcf s ALA 140 Ca 0.21 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.15 2hcf s ALA 140 Cb -0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 2hcf s ALA 140 CO 0.00 0.55 0.21 -0.06 0.00 0.00 0.00 175.76 176.46 2hcf s PHE 141 N -0.71 1.67 -0.24 0.00 0.08 -1.26 -1.88 117.98 115.63 2hcf s PHE 141 Ca 0.11 -1.50 0.26 0.00 0.12 0.00 0.00 56.93 55.92 2hcf s PHE 141 Cb -0.10 -0.82 1.19 0.00 -0.57 0.00 0.00 43.02 42.72 2hcf s PHE 141 CO 0.01 -0.66 1.77 0.00 -0.10 0.00 0.00 175.22 176.24 2hcf h ALA 142 N 2.14 1.00 0.00 5.36 0.00 -1.17 -0.06 119.26 126.52 2hcf h ALA 142 Ca -0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2hcf h ALA 142 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2hcf h ALA 142 CO 0.46 0.00 -0.02 -0.44 0.00 0.00 0.00 179.25 179.24 2hcf h ASP 143 N 0.00 0.00 0.34 0.00 5.19 -1.93 -3.27 116.42 116.75 2hcf h ASP 143 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 2hcf h ASP 143 Cb 0.24 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2hcf h ASP 143 CO 0.00 0.02 -1.74 0.47 -3.12 0.00 0.00 179.24 174.87 2hcf n ASP 144 N -3.27 0.33 -3.52 6.45 8.00 -0.04 -5.01 116.55 119.49 2hcf n ASP 144 Ca -0.02 0.14 -0.08 0.00 0.71 0.00 0.00 54.79 55.54 2hcf n ASP 144 Cb 0.15 1.19 -0.02 0.00 -0.02 0.00 0.00 41.12 42.42 2hcf n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hcf s ALA 145 N -3.23 -1.87 -0.20 2.24 0.00 -1.23 -5.01 121.76 112.46 2hcf s ALA 145 Ca -0.06 1.16 0.20 0.00 0.00 0.00 0.00 51.96 53.27 2hcf s ALA 145 Cb 0.11 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2hcf s ALA 145 CO 0.85 -0.64 1.00 -0.07 0.00 0.00 0.00 175.76 176.90 2hcf h LEU 146 N 2.05 0.00 -8.65 0.00 3.38 -1.94 -3.43 115.31 106.73 2hcf h LEU 146 Ca -0.20 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.13 2hcf h LEU 146 Cb 1.22 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.74 2hcf h LEU 146 CO 0.30 0.24 -0.66 -0.62 0.09 0.00 0.00 178.44 177.78 2hcf s ASP 147 N -5.59 4.85 0.55 -0.43 2.15 -1.26 -4.49 116.67 112.45 2hcf s ASP 147 Ca -0.01 -0.22 0.22 0.00 0.43 0.00 0.00 52.55 52.96 2hcf s ASP 147 Cb 0.09 -1.84 1.49 0.00 -0.30 0.00 0.00 42.92 42.36 2hcf s ASP 147 CO 0.79 0.03 2.18 -0.09 -0.17 0.00 0.00 175.17 177.91 2hcf h ARG 148 N 7.77 0.00 0.00 4.34 2.43 -1.93 -1.85 114.38 125.14 2hcf h ARG 148 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2hcf h ARG 148 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2hcf h ARG 148 CO 0.60 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 179.15 2hcf n ASN 149 N -4.25 0.09 0.11 -3.80 3.02 -1.26 -1.82 115.26 107.35 2hcf n ASN 149 Ca -0.02 0.52 -0.00 0.00 -0.03 0.00 0.00 54.58 55.05 2hcf n ASN 149 Cb 0.12 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.73 2hcf n ASN 149 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2hcf h GLU 150 N 0.00 0.00 -0.80 3.52 5.08 -1.74 -3.41 114.58 117.24 2hcf h GLU 150 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2hcf h GLU 150 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2hcf h GLU 150 CO 0.00 0.61 0.43 -0.07 -1.00 0.00 0.00 179.01 178.97 2hcf h LEU 151 N 0.00 1.01 -0.83 1.33 3.38 -1.50 -3.08 115.31 115.63 2hcf h LEU 151 Ca -0.02 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2hcf h LEU 151 Cb 1.49 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2hcf h LEU 151 CO 0.08 0.83 0.53 -0.65 0.09 0.00 0.00 178.44 179.32 2hcf h PRO 152 N 1.12 1.01 -0.19 1.13 0.11 -1.79 0.40 132.00 133.79 2hcf h PRO 152 Ca 0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2hcf h PRO 152 Cb 0.05 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 2hcf h PRO 152 CO -0.04 0.67 0.12 0.45 -0.21 0.00 0.00 178.00 178.98 2hcf h HIS 153 N 1.04 0.25 -0.12 0.65 3.86 -1.82 0.10 115.15 119.11 2hcf h HIS 153 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2hcf h HIS 153 Cb 0.01 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 2hcf h HIS 153 CO -0.02 0.18 0.08 0.82 0.86 0.00 0.00 177.93 179.84 2hcf h ILE 154 N 0.24 1.04 -0.75 2.45 2.04 -1.37 -1.29 117.51 119.87 2hcf h ILE 154 Ca 0.07 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2hcf h ILE 154 Cb 0.00 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2hcf h ILE 154 CO -0.01 0.04 0.46 0.00 0.00 0.00 0.00 178.15 178.63 2hcf h ALA 155 N 1.03 0.95 -0.43 1.87 0.00 -0.82 -1.71 119.26 120.15 2hcf h ALA 155 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hcf h ALA 155 Cb -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2hcf h ALA 155 CO -0.01 0.41 0.27 1.25 0.00 0.00 0.00 179.25 181.17 2hcf h LEU 156 N 1.02 0.50 -0.49 0.00 5.85 -0.40 -0.92 115.31 120.87 2hcf h LEU 156 Ca 0.27 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.97 2hcf h LEU 156 Cb -0.05 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2hcf h LEU 156 CO -0.05 0.38 0.31 -0.08 -0.34 0.00 0.00 178.44 178.67 2hcf h GLU 157 N 0.58 0.62 -0.69 1.25 4.81 -1.10 -1.10 114.58 118.95 2hcf h GLU 157 Ca 0.16 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2hcf h GLU 157 Cb -0.04 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 2hcf h GLU 157 CO -0.03 0.41 0.28 0.00 -0.73 0.00 0.00 179.01 178.94 2hcf h ARG 158 N 0.64 1.02 -0.30 1.92 3.08 -1.11 -1.91 114.38 117.72 2hcf h ARG 158 Ca 0.19 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2hcf h ARG 158 Cb -0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2hcf h ARG 158 CO -0.06 0.85 0.07 0.00 -1.07 0.00 0.00 179.97 179.76 2hcf h ALA 159 N 1.13 0.40 -0.98 0.04 0.00 -0.80 -3.05 119.26 115.99 2hcf h ALA 159 Ca 0.23 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2hcf h ALA 159 Cb 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2hcf h ALA 159 CO -0.02 0.06 0.63 -0.09 0.00 0.00 0.00 179.25 179.83 2hcf h ARG 160 N 0.32 1.30 -1.32 0.00 2.43 -1.10 -1.24 114.38 114.78 2hcf h ARG 160 Ca 0.09 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2hcf h ARG 160 Cb 0.29 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2hcf h ARG 160 CO 0.00 0.87 0.00 0.54 -1.51 0.00 0.00 179.97 179.87 2hcf n ARG 161 N -4.37 0.48 0.01 0.20 1.74 -0.73 -0.05 116.66 113.94 2hcf n ARG 161 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2hcf n ARG 161 Cb 0.03 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2hcf n ARG 161 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2hcf n THR 163 N 0.66 0.00 -0.93 0.55 -2.24 -0.47 -5.05 114.28 106.80 2hcf n THR 163 Ca 0.00 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2hcf n THR 163 Cb 0.22 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2hcf n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hcf n GLY 164 N -0.51 0.56 3.72 3.38 0.00 0.93 -5.01 105.19 108.26 2hcf n GLY 164 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2hcf n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hcf s ALA 165 N -2.50 3.22 -1.08 4.61 0.00 -1.25 -4.98 121.76 119.77 2hcf s ALA 165 Ca 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 2hcf s ALA 165 Cb 0.00 -3.32 0.26 0.00 0.00 0.00 0.00 23.12 20.06 2hcf s ALA 165 CO 0.00 -0.16 1.09 1.21 0.00 0.00 0.00 175.76 177.90 2hcf s ASN 166 N 0.54 7.22 0.16 0.00 2.47 -1.26 -4.34 114.94 119.73 2hcf s ASN 166 Ca 0.50 -3.41 -0.32 0.00 0.42 0.00 0.00 52.86 50.06 2hcf s ASN 166 Cb -0.23 -2.23 -0.11 0.00 -1.45 0.00 0.00 41.25 37.23 2hcf s ASN 166 CO 0.29 -0.37 1.69 -0.31 -3.72 0.00 0.00 177.10 174.68 2hcf s TYR 167 N -0.79 2.74 0.60 0.43 2.02 -1.26 -5.00 117.35 116.09 2hcf s TYR 167 Ca 0.30 0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 57.28 2hcf s TYR 167 Cb -0.09 -4.06 0.00 0.00 -0.40 0.00 0.00 41.96 37.40 2hcf s TYR 167 CO -0.08 -4.11 0.93 -1.54 -1.57 0.00 0.00 175.55 169.18 2hcf s SER 168 N 1.63 5.68 0.27 2.29 1.04 -1.26 -4.95 113.70 118.40 2hcf s SER 168 Ca 0.75 0.85 0.01 0.00 0.48 0.00 0.00 55.95 58.03 2hcf s SER 168 Cb -0.46 -1.85 0.62 0.00 0.10 0.00 0.00 66.02 64.43 2hcf s SER 168 CO 0.33 -1.04 1.73 -0.65 0.98 0.00 0.00 173.24 174.58 2hcf h PRO 169 N -0.22 0.48 0.00 4.02 0.11 -1.85 0.16 132.00 134.70 2hcf h PRO 169 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hcf h PRO 169 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2hcf h PRO 169 CO 0.61 0.32 0.00 -1.13 -0.21 0.00 0.00 178.00 177.59 2hcf n SER 170 N -4.97 0.64 -0.60 -2.05 3.41 -1.26 -1.94 113.62 106.85 2hcf n SER 170 Ca 0.19 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.57 2hcf n SER 170 Cb 0.54 -0.78 0.42 0.00 -0.26 0.00 0.00 64.21 64.12 2hcf n SER 170 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hcf n GLN 171 N -2.19 1.82 -4.47 4.33 6.02 0.54 -4.88 117.38 118.54 2hcf n GLN 171 Ca 0.03 -1.20 -0.34 0.00 -0.01 0.00 0.00 57.00 55.49 2hcf n GLN 171 Cb 0.26 -1.46 -0.14 0.00 1.02 0.00 0.00 30.24 29.92 2hcf n GLN 171 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2hcf s ILE 172 N -1.94 3.22 -0.13 5.09 1.01 -0.82 -0.89 121.20 126.76 2hcf s ILE 172 Ca 0.35 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2hcf s ILE 172 Cb 0.20 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2hcf s ILE 172 CO 0.32 0.49 -0.16 -0.69 0.00 0.00 0.00 174.94 174.90 2hcf s VAL 173 N 0.68 1.61 -0.18 2.92 1.01 0.60 -0.70 120.40 126.34 2hcf s VAL 173 Ca -0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2hcf s VAL 173 Cb -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2hcf s VAL 173 CO 0.02 0.46 -0.14 -0.63 0.00 0.00 0.00 175.10 174.82 2hcf s ILE 174 N 1.13 2.64 -0.12 2.22 1.01 -0.13 -0.21 121.20 127.74 2hcf s ILE 174 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2hcf s ILE 174 Cb -0.14 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2hcf s ILE 174 CO -0.05 0.50 -0.19 -0.63 0.00 0.00 0.00 174.94 174.57 2hcf s ILE 175 N 1.17 2.51 0.07 2.92 1.01 0.71 -1.52 121.20 128.07 2hcf s ILE 175 Ca 0.01 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 2hcf s ILE 175 Cb -0.14 -2.01 0.03 0.00 0.01 0.00 0.00 42.46 40.35 2hcf s ILE 175 CO -0.06 0.54 0.38 0.61 0.00 0.00 0.00 174.94 176.42 2hcf n GLY 176 N 3.56 1.07 0.20 6.18 0.00 -1.00 -0.92 105.19 114.27 2hcf n GLY 176 Ca -0.19 -1.01 0.02 0.00 0.00 0.00 0.00 46.02 44.84 2hcf n GLY 176 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hcf n ASP 177 N -0.86 1.84 -4.27 1.61 5.75 -1.26 -1.06 116.55 118.30 2hcf n ASP 177 Ca -0.01 -1.58 -0.15 0.00 -0.01 0.00 0.00 54.79 53.04 2hcf n ASP 177 Cb 0.22 -0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 40.16 2hcf n ASP 177 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2hcf s THR 178 N -0.67 0.36 0.57 2.12 -4.23 -1.26 -4.56 115.64 107.97 2hcf s THR 178 Ca 0.07 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.84 2hcf s THR 178 Cb 0.04 -2.59 0.35 0.00 1.34 0.00 0.00 72.50 71.64 2hcf s THR 178 CO 0.06 0.00 2.11 1.05 -0.54 0.00 0.00 174.62 177.30 2hcf h GLU 179 N 2.46 0.00 -0.14 3.99 4.11 -1.94 -2.39 114.58 120.67 2hcf h GLU 179 Ca -0.37 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.87 2hcf h GLU 179 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2hcf h GLU 179 CO 0.58 0.00 -0.67 0.45 0.07 0.00 0.00 179.01 179.43 2hcf h HIS 180 N 0.00 0.73 -0.03 2.06 3.86 -1.92 -0.33 115.15 119.52 2hcf h HIS 180 Ca 0.09 -0.30 -0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2hcf h HIS 180 Cb 0.43 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 2hcf h HIS 180 CO 0.00 1.07 0.01 -0.44 0.86 0.00 0.00 177.93 179.43 2hcf h ASP 181 N 0.40 0.03 -0.83 2.45 3.32 -1.76 -1.06 116.42 118.97 2hcf h ASP 181 Ca -0.02 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2hcf h ASP 181 Cb 1.25 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 2hcf h ASP 181 CO 0.13 0.10 0.40 0.40 -1.72 0.00 0.00 179.24 178.55 2hcf h ILE 182 N -0.04 1.26 -0.01 0.35 2.04 -1.32 -2.86 117.51 116.93 2hcf h ILE 182 Ca 0.01 -0.71 -0.23 0.00 1.00 0.00 0.00 64.86 64.93 2hcf h ILE 182 Cb 0.07 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2hcf h ILE 182 CO -0.00 0.31 -0.92 -0.09 0.00 0.00 0.00 178.15 177.44 2hcf h ARG 183 N 1.19 0.46 0.00 2.37 1.12 -0.96 -3.05 114.38 115.50 2hcf h ARG 183 Ca 0.29 -0.47 -0.05 0.00 -1.11 0.00 0.00 59.98 58.63 2hcf h ARG 183 Cb 0.11 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 2hcf h ARG 183 CO -0.04 1.12 -0.24 0.00 -3.11 0.00 0.00 179.97 177.71 2hcf h ALA 185 N 1.76 1.67 0.00 0.00 0.00 -1.40 -2.34 119.26 118.96 2hcf h ALA 185 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2hcf h ALA 185 Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2hcf h ALA 185 CO 0.03 0.25 -0.07 0.00 0.00 0.00 0.00 179.25 179.46 2hcf h ARG 186 N 0.07 0.00 -0.81 0.00 3.08 -1.45 -1.37 114.38 113.90 2hcf h ARG 186 Ca 0.01 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.23 2hcf h ARG 186 Cb 0.31 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 2hcf h ARG 186 CO 0.02 0.07 0.54 0.93 -1.07 0.00 0.00 179.97 180.46 2hcf h GLU 187 N 0.00 0.39 -0.30 0.04 4.39 -1.55 -2.07 114.58 115.49 2hcf h GLU 187 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2hcf h GLU 187 Cb 0.22 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2hcf h GLU 187 CO 0.01 0.26 0.00 1.28 -1.16 0.00 0.00 179.01 179.39 2hcf n LEU 188 N -4.48 2.84 -3.97 1.33 4.77 -0.90 -4.94 117.00 111.64 2hcf n LEU 188 Ca 0.16 -2.04 -0.32 0.00 -0.03 0.00 0.00 56.01 53.78 2hcf n LEU 188 Cb 0.60 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2hcf n LEU 188 CO 0.32 0.70 0.00 0.47 -1.33 0.00 0.00 177.39 177.55 2hcf n ASP 189 N 0.34 -3.71 -4.90 -1.43 8.00 -0.78 -4.56 116.55 109.51 2hcf n ASP 189 Ca 0.10 -0.82 -0.29 0.00 0.71 0.00 0.00 54.79 54.50 2hcf n ASP 189 Cb 0.42 -3.03 0.07 0.00 -0.02 0.00 0.00 41.12 38.56 2hcf n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hcf s ALA 190 N -3.19 2.86 -0.29 2.24 0.00 -0.56 -4.57 121.76 118.23 2hcf s ALA 190 Ca 0.66 -0.62 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 2hcf s ALA 190 Cb -0.35 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2hcf s ALA 190 CO 0.81 -1.40 0.90 1.03 0.00 0.00 0.00 175.76 177.11 2hcf s ARG 191 N -5.42 4.06 -0.12 0.00 0.52 0.12 -4.74 118.95 113.38 2hcf s ARG 191 Ca 0.60 0.86 -0.16 0.00 -0.52 0.00 0.00 55.73 56.52 2hcf s ARG 191 Cb -0.11 -3.71 -0.05 0.00 0.52 0.00 0.00 34.95 31.61 2hcf s ARG 191 CO 0.49 -0.71 0.38 -1.54 0.02 0.00 0.00 175.30 173.94 2hcf s SER 192 N 1.54 6.60 -0.21 0.23 1.04 -1.26 -0.96 113.70 120.67 2hcf s SER 192 Ca 0.38 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2hcf s SER 192 Cb -0.14 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.77 2hcf s SER 192 CO 0.12 0.10 -0.14 -0.63 0.98 0.00 0.00 173.24 173.67 2hcf s ILE 193 N 0.25 2.40 -0.04 -1.02 1.01 -0.57 -1.79 121.20 121.43 2hcf s ILE 193 Ca 0.22 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 2hcf s ILE 193 Cb -0.14 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2hcf s ILE 193 CO 0.08 0.36 0.16 0.00 0.00 0.00 0.00 174.94 175.54 2hcf s ALA 194 N 1.29 3.89 -0.07 9.38 0.00 -0.27 -2.39 121.76 133.59 2hcf s ALA 194 Ca 0.02 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.26 2hcf s ALA 194 Cb -0.15 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.11 2hcf s ALA 194 CO -0.09 0.70 -0.12 0.54 0.00 0.00 0.00 175.76 176.80 2hcf s VAL 195 N -1.22 1.15 -0.43 0.00 0.11 -0.23 -0.90 120.40 118.88 2hcf s VAL 195 Ca 0.23 -0.48 -0.03 0.00 -2.93 0.00 0.00 61.98 58.78 2hcf s VAL 195 Cb -0.12 -1.06 0.14 0.00 -1.53 0.00 0.00 36.38 33.81 2hcf s VAL 195 CO 0.14 0.36 2.48 0.00 -3.33 0.00 0.00 175.10 174.75 2hcf n ALA 196 N 3.91 6.02 -0.37 1.54 0.00 -0.40 -4.15 120.51 127.05 2hcf n ALA 196 Ca -0.22 -2.64 0.11 0.00 0.00 0.00 0.00 53.44 50.68 2hcf n ALA 196 Cb 0.52 -1.87 0.31 0.00 0.00 0.00 0.00 19.45 18.40 2hcf n ALA 196 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hcf n THR 197 N 0.58 1.06 -0.12 0.00 -2.24 -1.25 -4.84 114.28 107.47 2hcf n THR 197 Ca 0.44 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2hcf n THR 197 Cb 0.56 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 2hcf n THR 197 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hcf n GLY 198 N 1.47 3.09 0.63 3.38 0.00 -1.21 -4.77 105.19 107.79 2hcf n GLY 198 Ca 0.23 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.62 2hcf n GLY 198 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hcf n ASN 199 N 0.00 1.84 -4.13 1.61 3.02 -1.26 -4.85 115.26 111.49 2hcf n ASN 199 Ca 0.00 -1.88 -0.29 0.00 -0.03 0.00 0.00 54.58 52.39 2hcf n ASN 199 Cb 0.00 -0.19 -0.17 0.00 -0.61 0.00 0.00 39.78 38.82 2hcf n ASN 199 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2hcf s PHE 200 N -1.63 2.05 0.00 3.10 0.08 -1.26 -5.15 117.98 115.17 2hcf s PHE 200 Ca 0.28 -0.80 0.00 0.00 0.12 0.00 0.00 56.93 56.53 2hcf s PHE 200 Cb 0.15 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 2hcf s PHE 200 CO 0.21 -0.34 0.00 0.25 -0.10 0.00 0.00 175.22 175.24 2hcf n THR 201 N 3.61 0.00 0.00 0.64 -2.24 -1.26 -4.61 114.28 110.41 2hcf n THR 201 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2hcf n THR 201 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2hcf n THR 201 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hcf n GLU 203 N 0.00 0.00 0.01 -0.78 1.02 -1.26 -0.67 120.64 118.96 2hcf n GLU 203 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2hcf n GLU 203 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 2hcf n GLU 203 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2hcf h GLU 204 N 0.00 -0.00 0.00 3.49 5.08 -2.01 -3.22 114.58 117.91 2hcf h GLU 204 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2hcf h GLU 204 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hcf h GLU 204 CO 0.00 0.31 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.10 2hcf h LEU 205 N -0.32 0.00 -1.32 1.33 3.38 -1.21 -2.99 115.31 114.18 2hcf h LEU 205 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2hcf h LEU 205 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hcf h LEU 205 CO 0.00 0.15 -0.25 0.00 0.09 0.00 0.00 178.44 178.43 2hcf h ALA 206 N 1.85 1.13 0.00 1.53 0.00 -1.80 -2.40 119.26 119.57 2hcf h ALA 206 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2hcf h ALA 206 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2hcf h ALA 206 CO 0.02 0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.12 2hcf n ARG 207 N -3.57 0.17 -0.03 0.00 1.74 -1.13 -2.16 116.66 111.67 2hcf n ARG 207 Ca -0.01 0.44 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 2hcf n ARG 207 Cb 0.39 -1.84 0.19 0.00 -1.02 0.00 0.00 32.46 30.18 2hcf n ARG 207 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2hcf n HIS 208 N -2.16 0.09 -3.10 -1.55 8.25 -0.90 -5.00 115.22 110.84 2hcf n HIS 208 Ca 0.02 -0.04 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 2hcf n HIS 208 Cb 0.19 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.37 2hcf n HIS 208 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2hcf n LYS 209 N 1.16 -4.39 -1.73 -0.41 4.76 -0.92 -4.92 118.16 111.71 2hcf n LYS 209 Ca 0.16 0.70 -0.34 0.00 -2.87 0.00 0.00 58.31 55.96 2hcf n LYS 209 Cb 0.55 -5.21 0.06 0.00 -1.84 0.00 0.00 35.03 28.60 2hcf n LYS 209 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2hcf s PRO 210 N -4.83 2.63 0.19 1.97 0.04 -1.26 -4.92 135.00 128.82 2hcf s PRO 210 Ca 0.11 1.62 -0.08 0.00 0.04 0.00 0.00 61.00 62.69 2hcf s PRO 210 Cb -0.01 -1.91 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2hcf s PRO 210 CO 0.60 -1.42 1.65 0.78 0.04 0.00 0.00 177.00 178.65 2hcf h GLY 211 N 0.16 1.10 -4.33 0.56 0.00 -1.74 -3.44 103.07 95.38 2hcf h GLY 211 Ca -0.48 -0.81 -0.16 0.00 0.00 0.00 0.00 47.33 45.87 2hcf h GLY 211 CO 0.53 0.75 -0.70 -1.59 0.00 0.00 0.00 176.54 175.53 2hcf s THR 212 N -4.97 0.19 -0.08 4.70 2.01 -0.74 -5.00 115.64 111.75 2hcf s THR 212 Ca -0.11 -1.25 -0.02 0.00 0.31 0.00 0.00 61.69 60.62 2hcf s THR 212 Cb 0.14 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.94 2hcf s THR 212 CO 0.85 -0.67 0.03 -0.22 -0.69 0.00 0.00 174.62 173.92 2hcf s LEU 213 N -2.00 0.47 0.09 4.42 2.96 -1.26 -1.11 118.68 122.24 2hcf s LEU 213 Ca -0.07 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2hcf s LEU 213 Cb -0.04 -0.34 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 2hcf s LEU 213 CO -0.04 -0.23 0.07 -0.36 -1.32 0.00 0.00 176.35 174.47 2hcf s PHE 214 N 2.04 3.16 -0.00 5.38 0.40 -0.08 -5.00 117.98 123.89 2hcf s PHE 214 Ca 0.04 0.06 -0.21 0.00 -0.60 0.00 0.00 56.93 56.22 2hcf s PHE 214 Cb -0.13 -1.60 -0.21 0.00 0.51 0.00 0.00 43.02 41.59 2hcf s PHE 214 CO -0.05 0.52 1.14 -0.22 0.70 0.00 0.00 175.22 177.30 2hcf h LYS 215 N 3.23 0.34 0.00 0.44 1.63 -1.93 -1.06 116.57 119.23 2hcf h LYS 215 Ca -0.47 -0.31 0.01 0.00 -0.85 0.00 0.00 60.65 59.03 2hcf h LYS 215 Cb 1.17 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 2hcf h LYS 215 CO 0.65 0.98 0.23 0.27 -3.45 0.00 0.00 179.45 178.13 2hcf n ASN 216 N -4.37 -1.43 -1.54 4.20 0.23 -1.26 -3.43 115.26 107.67 2hcf n ASN 216 Ca -0.09 -1.94 -0.11 0.00 -0.53 0.00 0.00 54.58 51.91 2hcf n ASN 216 Cb 0.56 2.37 0.20 0.00 -2.08 0.00 0.00 39.78 40.82 2hcf n ASN 216 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2hcf n PHE 217 N -0.38 1.78 -0.33 -2.53 3.72 -1.25 -4.70 117.46 113.78 2hcf n PHE 217 Ca -0.05 -1.66 0.06 0.00 -0.05 0.00 0.00 57.45 55.75 2hcf n PHE 217 Cb 0.39 -0.65 0.21 0.00 -0.94 0.00 0.00 39.48 38.49 2hcf n PHE 217 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2hcf h ALA 218 N 1.07 1.36 -2.15 4.37 0.00 -1.91 -3.36 119.26 118.64 2hcf h ALA 218 Ca 0.36 0.03 -0.75 0.00 0.00 0.00 0.00 54.91 54.55 2hcf h ALA 218 Cb 2.08 -0.16 -0.21 0.00 0.00 0.00 0.00 17.79 19.50 2hcf h ALA 218 CO 0.63 0.14 0.78 -1.21 0.00 0.00 0.00 179.25 179.59 2hcf s GLU 219 N -5.99 3.87 0.16 0.00 0.41 -1.26 -4.87 118.70 111.02 2hcf s GLU 219 Ca -0.12 -2.44 -0.19 0.00 -0.41 0.00 0.00 54.97 51.81 2hcf s GLU 219 Cb 0.21 -4.80 0.06 0.00 -1.78 0.00 0.00 34.13 27.82 2hcf s GLU 219 CO 0.79 -1.58 1.65 1.15 -0.49 0.00 0.00 175.26 176.79 2hcf h THR 220 N 4.84 0.51 -0.80 3.63 2.02 -1.93 -1.51 112.91 119.66 2hcf h THR 220 Ca 0.20 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.50 2hcf h THR 220 Cb 0.95 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.79 2hcf h THR 220 CO 1.06 0.00 0.42 0.44 0.37 0.00 0.00 175.52 177.82 2hcf h ASP 221 N -0.12 0.55 0.14 4.18 3.32 -1.95 0.10 116.42 122.65 2hcf h ASP 221 Ca 0.17 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 2hcf h ASP 221 Cb 0.37 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2hcf h ASP 221 CO -0.40 0.29 -0.58 -0.33 -1.72 0.00 0.00 179.24 176.50 2hcf h GLU 222 N 0.67 0.45 -0.32 3.56 4.39 -1.74 -1.47 114.58 120.13 2hcf h GLU 222 Ca 0.41 -0.30 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 2hcf h GLU 222 Cb 0.48 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2hcf h GLU 222 CO -0.30 0.91 -0.09 0.28 -1.16 0.00 0.00 179.01 178.65 2hcf h VAL 223 N 0.34 1.28 -0.34 3.13 2.07 -0.55 -1.52 116.25 120.66 2hcf h VAL 223 Ca -0.00 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.40 2hcf h VAL 223 Cb 1.12 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2hcf h VAL 223 CO 0.10 0.37 0.14 0.25 0.02 0.00 0.00 177.57 178.45 2hcf h LEU 224 N 0.39 0.18 -1.06 2.57 5.85 -0.93 -0.55 115.31 121.75 2hcf h LEU 224 Ca 0.08 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2hcf h LEU 224 Cb 0.59 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 2hcf h LEU 224 CO 0.03 0.14 0.63 0.00 -0.34 0.00 0.00 178.44 178.90 2hcf h ALA 225 N 1.20 1.42 -0.15 1.25 0.00 -1.14 -0.20 119.26 121.65 2hcf h ALA 225 Ca 0.15 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2hcf h ALA 225 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2hcf h ALA 225 CO -0.13 0.46 -0.53 1.03 0.00 0.00 0.00 179.25 180.07 2hcf h SER 226 N 1.16 0.47 -0.05 0.00 0.87 -0.66 -2.67 113.55 112.66 2hcf h SER 226 Ca 0.40 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 2hcf h SER 226 Cb 0.11 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2hcf h SER 226 CO -0.14 0.91 -0.40 0.40 -0.53 0.00 0.00 176.83 177.07 2hcf h ILE 227 N 0.33 1.43 -0.11 2.23 2.04 -0.02 -3.33 117.51 120.08 2hcf h ILE 227 Ca 0.01 -1.84 -0.17 0.00 1.00 0.00 0.00 64.86 63.86 2hcf h ILE 227 Cb 1.04 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 2hcf h ILE 227 CO 0.09 0.53 -0.66 -0.07 0.00 0.00 0.00 178.15 178.04 2hcf h LEU 228 N -0.13 0.51 -0.19 1.44 3.38 -1.13 -3.48 115.31 115.71 2hcf h LEU 228 Ca -0.03 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2hcf h LEU 228 Cb 1.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2hcf h LEU 228 CO 0.08 1.03 0.00 0.41 0.09 0.00 0.00 178.44 180.05