#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thf s LEU 2 N 0.00 4.36 0.54 3.17 2.96 -1.26 -4.98 118.68 123.47 1thf s LEU 2 Ca 0.00 2.47 -0.20 0.00 -0.22 0.00 0.00 54.13 56.18 1thf s LEU 2 Cb 0.00 -3.79 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 1thf s LEU 2 CO 0.00 -0.51 1.17 0.00 -1.32 0.00 0.00 176.35 175.69 1thf s ALA 3 N -1.25 2.73 -0.21 5.97 0.00 -1.26 -4.81 121.76 122.93 1thf s ALA 3 Ca 0.51 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 53.37 1thf s ALA 3 Cb -0.35 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 1thf s ALA 3 CO 0.45 -0.89 -0.03 0.15 0.00 0.00 0.00 175.76 175.44 1thf s LYS 4 N -3.12 3.47 0.04 0.00 -0.14 -0.29 -4.87 119.74 114.84 1thf s LYS 4 Ca 0.72 -0.59 0.03 0.00 -1.36 0.00 0.00 55.97 54.77 1thf s LYS 4 Cb -0.28 -3.01 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 1thf s LYS 4 CO 0.32 -0.09 0.03 1.03 -0.76 0.00 0.00 175.35 175.88 1thf s ARG 5 N 1.22 2.77 -0.25 1.68 0.52 -0.71 -4.20 118.95 119.99 1thf s ARG 5 Ca 0.03 -0.68 -0.06 0.00 -0.52 0.00 0.00 55.73 54.50 1thf s ARG 5 Cb -0.14 -2.67 -0.01 0.00 0.52 0.00 0.00 34.95 32.64 1thf s ARG 5 CO -0.00 0.59 0.02 0.42 0.02 0.00 0.00 175.30 176.35 1thf s ILE 6 N -1.24 3.85 -0.08 1.52 -1.09 -1.26 -1.08 121.20 121.82 1thf s ILE 6 Ca 0.24 -0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.30 1thf s ILE 6 Cb -0.12 -2.82 -0.00 0.00 -1.58 0.00 0.00 42.46 37.94 1thf s ILE 6 CO 0.16 0.32 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.33 1thf s ILE 7 N 1.53 1.96 -0.13 2.92 1.01 -0.20 -0.93 121.20 127.36 1thf s ILE 7 Ca 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.59 1thf s ILE 7 Cb -0.15 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1thf s ILE 7 CO 0.00 0.54 0.30 0.00 0.00 0.00 0.00 174.94 175.78 1thf s ALA 8 N 0.15 3.65 -0.28 9.38 0.00 -0.95 -1.90 121.76 131.80 1thf s ALA 8 Ca -0.12 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 1thf s ALA 8 Cb -0.16 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 1thf s ALA 8 CO 0.06 0.23 0.24 0.00 0.00 0.00 0.00 175.76 176.29 1thf s LEU 10 N 1.84 4.41 0.02 0.00 1.43 0.11 -4.47 118.68 122.02 1thf s LEU 10 Ca 0.09 -1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 51.74 1thf s LEU 10 Cb -0.16 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1thf s LEU 10 CO 0.11 -0.34 1.13 -1.81 0.23 0.00 0.00 176.35 175.66 1thf s ASP 11 N 1.45 7.17 -0.04 2.29 1.01 -1.26 -1.41 116.67 125.88 1thf s ASP 11 Ca -0.01 1.87 0.03 0.00 0.71 0.00 0.00 52.55 55.15 1thf s ASP 11 Cb -0.20 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 1thf s ASP 11 CO 0.03 -0.42 -0.13 -0.69 0.21 0.00 0.00 175.17 174.18 1thf s VAL 12 N 1.21 3.20 -0.04 -1.27 1.01 0.78 -0.62 120.40 124.67 1thf s VAL 12 Ca 0.56 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 1thf s VAL 12 Cb -0.26 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1thf s VAL 12 CO 0.28 0.56 0.03 -0.75 0.00 0.00 0.00 175.10 175.22 1thf s LYS 13 N -0.85 0.12 -1.49 2.72 2.20 -0.16 -1.78 119.74 120.51 1thf s LYS 13 Ca 0.12 0.24 -0.12 0.00 -0.36 0.00 0.00 55.97 55.86 1thf s LYS 13 Cb -0.11 -0.54 0.07 0.00 -1.51 0.00 0.00 37.83 35.74 1thf s LYS 13 CO 0.02 -0.26 0.97 -0.25 -0.36 0.00 0.00 175.35 175.46 1thf n ASP 14 N 4.87 -5.18 0.00 1.43 8.00 -1.26 -2.01 116.55 122.39 1thf n ASP 14 Ca -0.12 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1thf n ASP 14 Cb 0.50 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 1thf n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1thf n GLY 15 N -1.71 0.44 3.25 0.44 0.00 -1.26 -5.01 105.19 101.33 1thf n GLY 15 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1thf n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1thf s ARG 16 N -0.39 1.02 0.07 1.61 0.52 -0.85 -4.72 118.95 116.21 1thf s ARG 16 Ca 0.00 -1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 53.80 1thf s ARG 16 Cb 0.00 -1.16 -0.05 0.00 0.52 0.00 0.00 34.95 34.26 1thf s ARG 16 CO 0.00 0.26 1.12 0.08 0.02 0.00 0.00 175.30 176.79 1thf s VAL 17 N -1.30 4.23 0.06 3.52 1.01 0.32 -0.99 120.40 127.26 1thf s VAL 17 Ca 0.04 1.65 -0.36 0.00 0.00 0.00 0.00 61.98 63.31 1thf s VAL 17 Cb -0.10 -4.05 -0.15 0.00 0.00 0.00 0.00 36.38 32.08 1thf s VAL 17 CO 0.04 0.16 1.48 0.52 0.00 0.00 0.00 175.10 177.29 1thf n VAL 18 N 3.65 0.06 -1.06 2.92 0.31 0.21 -4.39 118.33 120.03 1thf n VAL 18 Ca 0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1thf n VAL 18 Cb 0.48 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1thf n VAL 18 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1thf n LYS 19 N 3.31 3.98 -1.22 5.55 5.02 -1.26 -4.89 118.16 128.64 1thf n LYS 19 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1thf n LYS 19 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 1thf n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1thf n GLY 20 N 5.00 0.53 0.00 0.72 0.00 -1.26 -4.95 105.19 105.23 1thf n GLY 20 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1thf n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1thf n SER 21 N 1.70 1.22 -3.07 1.61 3.41 -1.26 -5.07 113.62 112.16 1thf n SER 21 Ca 0.00 -1.49 -0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1thf n SER 21 Cb 0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1thf n SER 21 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1thf n ASN 22 N -0.25 -6.67 -3.81 4.04 3.02 -1.26 -4.84 115.26 105.49 1thf n ASN 22 Ca 0.00 0.76 -0.37 0.00 -0.03 0.00 0.00 54.58 54.94 1thf n ASN 22 Cb 0.24 -2.15 -0.03 0.00 -0.61 0.00 0.00 39.78 37.23 1thf n ASN 22 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1thf n PHE 23 N 1.73 2.92 0.29 3.10 3.01 -1.26 -4.89 117.46 122.36 1thf n PHE 23 Ca -0.03 -3.25 0.19 0.00 1.01 0.00 0.00 57.45 55.37 1thf n PHE 23 Cb 0.28 -1.01 0.98 0.00 -0.01 0.00 0.00 39.48 39.72 1thf n PHE 23 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1thf h GLU 24 N 5.05 0.00 0.00 -1.08 4.39 -2.00 0.28 114.58 121.22 1thf h GLU 24 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1thf h GLU 24 Cb 0.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1thf h GLU 24 CO 1.13 0.00 0.00 0.27 -1.16 0.00 0.00 179.01 179.25 1thf n ASN 25 N -3.37 0.00 -4.40 1.42 6.94 -1.26 -4.84 115.26 109.75 1thf n ASN 25 Ca -0.01 -0.19 -0.27 0.00 -0.02 0.00 0.00 54.58 54.09 1thf n ASN 25 Cb 0.21 -0.26 -0.12 0.00 -2.36 0.00 0.00 39.78 37.26 1thf n ASN 25 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1thf s LEU 26 N -2.52 2.40 0.09 -4.53 1.43 1.00 -5.06 118.68 111.49 1thf s LEU 26 Ca 0.28 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 1thf s LEU 26 Cb 0.19 -1.14 -0.10 0.00 0.03 0.00 0.00 46.19 45.17 1thf s LEU 26 CO 0.42 0.12 1.39 -0.09 0.23 0.00 0.00 176.35 178.42 1thf h ARG 27 N 3.43 0.65 -1.65 1.70 9.65 -1.88 -3.43 114.38 122.85 1thf h ARG 27 Ca -0.47 -0.36 -0.18 0.00 -1.10 0.00 0.00 59.98 57.88 1thf h ARG 27 Cb 1.20 0.02 -0.28 0.00 -1.39 0.00 0.00 29.97 29.52 1thf h ARG 27 CO 0.45 0.96 -0.53 0.34 2.80 0.00 0.00 179.97 184.00 1thf s ASP 28 N -6.51 0.23 0.00 -3.80 2.15 -1.26 -5.01 116.67 102.47 1thf s ASP 28 Ca -0.13 -0.39 0.15 0.00 0.43 0.00 0.00 52.55 52.61 1thf s ASP 28 Cb 0.08 1.17 0.82 0.00 -0.30 0.00 0.00 42.92 44.69 1thf s ASP 28 CO 0.82 -0.34 1.37 -1.54 -0.17 0.00 0.00 175.17 175.31 1thf n SER 29 N 5.31 0.00 0.05 -0.34 3.41 -1.26 -1.45 113.62 119.34 1thf n SER 29 Ca 0.01 -0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.56 1thf n SER 29 Cb 0.50 -0.15 0.16 0.00 -0.26 0.00 0.00 64.21 64.46 1thf n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thf n GLY 30 N -0.04 -1.37 3.67 5.00 0.00 -1.26 -4.74 105.19 106.45 1thf n GLY 30 Ca 0.09 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1thf n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1thf s ASP 31 N -4.05 7.12 0.41 1.61 2.15 -0.53 -0.52 116.67 122.86 1thf s ASP 31 Ca 0.06 1.43 0.09 0.00 0.43 0.00 0.00 52.55 54.57 1thf s ASP 31 Cb 0.14 -2.54 0.88 0.00 -0.30 0.00 0.00 42.92 41.09 1thf s ASP 31 CO 0.73 -0.63 2.02 1.55 -0.17 0.00 0.00 175.17 178.67 1thf h PRO 32 N 7.42 0.38 0.20 4.34 0.13 -1.88 -1.06 132.00 141.53 1thf h PRO 32 Ca -0.22 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1thf h PRO 32 Cb 1.08 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1thf h PRO 32 CO 0.95 0.33 -0.10 0.28 -0.23 0.00 0.00 178.00 179.24 1thf h VAL 33 N 0.38 0.85 -0.58 1.56 2.07 -1.92 -0.64 116.25 117.98 1thf h VAL 33 Ca 0.10 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1thf h VAL 33 Cb 0.10 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1thf h VAL 33 CO -0.01 0.18 0.27 -0.08 0.02 0.00 0.00 177.57 177.96 1thf h GLU 34 N -0.76 0.83 -0.26 1.57 4.81 -1.84 0.25 114.58 119.19 1thf h GLU 34 Ca -0.03 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 58.91 1thf h GLU 34 Cb 0.51 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1thf h GLU 34 CO 0.05 0.68 -0.49 1.25 -0.73 0.00 0.00 179.01 179.77 1thf h LEU 35 N 0.78 0.89 -0.51 1.64 5.85 -1.29 -1.07 115.31 121.61 1thf h LEU 35 Ca 0.20 -0.54 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1thf h LEU 35 Cb 0.13 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1thf h LEU 35 CO -0.02 1.26 0.18 1.23 -0.34 0.00 0.00 178.44 180.74 1thf h GLY 36 N 0.55 0.84 1.07 3.75 0.00 -0.94 -1.30 103.07 107.05 1thf h GLY 36 Ca 0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1thf h GLY 36 CO 0.11 0.45 0.17 1.70 0.00 0.00 0.00 176.54 178.98 1thf h LYS 37 N 0.69 1.14 -0.03 4.80 3.64 -0.89 -1.90 116.57 124.02 1thf h LYS 37 Ca 0.17 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1thf h LYS 37 Cb 0.24 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1thf h LYS 37 CO -0.01 1.00 -0.23 0.35 -2.27 0.00 0.00 179.45 178.29 1thf h PHE 38 N 1.08 -0.62 -0.91 1.91 3.57 -0.87 -1.18 116.94 119.92 1thf h PHE 38 Ca 0.22 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.80 1thf h PHE 38 Cb 0.37 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1thf h PHE 38 CO 0.03 -0.32 0.58 1.88 -2.23 0.00 0.00 178.31 178.25 1thf h TYR 39 N -0.35 1.08 -0.93 0.41 0.05 -1.00 -0.56 116.97 115.66 1thf h TYR 39 Ca 0.07 0.03 0.12 0.00 0.05 0.00 0.00 58.73 59.00 1thf h TYR 39 Cb 0.45 -0.35 -0.09 0.00 1.01 0.00 0.00 36.73 37.75 1thf h TYR 39 CO -0.29 0.57 0.55 1.03 -1.05 0.00 0.00 178.16 178.97 1thf h SER 40 N 1.07 0.78 1.89 3.88 0.87 -0.87 -1.52 113.55 119.64 1thf h SER 40 Ca 0.39 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1thf h SER 40 Cb 0.13 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1thf h SER 40 CO -0.16 0.40 0.00 -0.33 -0.53 0.00 0.00 176.83 176.20 1thf h GLU 41 N 0.85 0.00 -0.52 2.24 5.08 0.11 -3.30 114.58 119.04 1thf h GLU 41 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1thf h GLU 41 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1thf h GLU 41 CO -0.29 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.16 1thf n ILE 42 N -3.09 0.85 0.00 3.13 -5.35 -0.88 -4.92 119.36 109.10 1thf n ILE 42 Ca 0.04 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 1thf n ILE 42 Cb 0.51 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 1thf n ILE 42 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1thf n GLY 43 N 1.26 0.81 3.77 3.28 0.00 -1.11 -4.21 105.19 109.00 1thf n GLY 43 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1thf n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thf s ILE 44 N -2.00 2.79 -0.03 -0.61 -1.09 -0.61 -4.94 121.20 114.71 1thf s ILE 44 Ca 0.00 0.78 -0.11 0.00 -2.23 0.00 0.00 60.65 59.09 1thf s ILE 44 Cb 0.00 -3.49 -0.31 0.00 -1.58 0.00 0.00 42.46 37.08 1thf s ILE 44 CO 0.00 0.17 0.75 0.44 -1.23 0.00 0.00 174.94 175.07 1thf h ASP 45 N 3.28 0.64 -5.27 3.58 3.32 -1.36 -3.42 116.42 117.19 1thf h ASP 45 Ca -0.49 -0.88 -0.10 0.00 0.02 0.00 0.00 57.03 55.58 1thf h ASP 45 Cb 1.23 -0.21 -0.12 0.00 0.22 0.00 0.00 39.33 40.45 1thf h ASP 45 CO 0.65 1.74 -0.27 -1.61 -1.72 0.00 0.00 179.24 178.02 1thf s GLU 46 N -2.59 1.25 0.16 3.56 2.02 -1.22 -4.20 118.70 117.68 1thf s GLU 46 Ca -0.14 -1.19 0.10 0.00 0.02 0.00 0.00 54.97 53.76 1thf s GLU 46 Cb 0.05 0.40 -0.04 0.00 0.10 0.00 0.00 34.13 34.64 1thf s GLU 46 CO 0.87 -0.47 -0.22 -0.51 0.02 0.00 0.00 175.26 174.94 1thf s LEU 47 N -2.98 2.39 -0.16 1.80 1.43 -0.50 -2.25 118.68 118.41 1thf s LEU 47 Ca 0.19 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1thf s LEU 47 Cb 0.02 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1thf s LEU 47 CO 0.02 0.08 -0.20 -0.69 0.23 0.00 0.00 176.35 175.79 1thf s VAL 48 N -1.58 2.02 -0.42 -1.59 1.01 -0.26 -1.21 120.40 118.38 1thf s VAL 48 Ca 0.16 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1thf s VAL 48 Cb -0.08 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1thf s VAL 48 CO 0.07 0.54 0.30 -0.36 0.00 0.00 0.00 175.10 175.65 1thf s PHE 49 N 1.07 3.24 -0.30 5.22 0.08 0.25 0.05 117.98 127.60 1thf s PHE 49 Ca -0.01 -0.71 -0.08 0.00 0.12 0.00 0.00 56.93 56.25 1thf s PHE 49 Cb -0.14 -2.67 0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1thf s PHE 49 CO -0.08 -0.64 0.11 -1.17 -0.10 0.00 0.00 175.22 173.35 1thf s LEU 50 N 1.65 3.97 -0.34 -0.37 2.96 -0.50 -1.11 118.68 124.94 1thf s LEU 50 Ca 0.04 -0.63 -0.29 0.00 -0.22 0.00 0.00 54.13 53.04 1thf s LEU 50 Cb -0.20 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1thf s LEU 50 CO 0.09 -0.19 1.24 -0.62 -1.32 0.00 0.00 176.35 175.55 1thf s ASP 51 N 1.55 6.69 0.00 3.68 -1.08 -0.08 -0.16 116.67 127.28 1thf s ASP 51 Ca 0.03 1.04 0.27 0.00 -0.52 0.00 0.00 52.55 53.37 1thf s ASP 51 Cb -0.17 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.56 1thf s ASP 51 CO 0.04 -1.09 1.60 2.30 0.52 0.00 0.00 175.17 178.54 1thf n ILE 52 N 6.30 0.00 -0.10 4.11 -5.35 -0.73 -3.49 119.36 120.09 1thf n ILE 52 Ca 0.14 -0.16 -0.18 0.00 -0.27 0.00 0.00 62.75 62.28 1thf n ILE 52 Cb 0.47 0.44 -0.07 0.00 -1.74 0.00 0.00 39.64 38.74 1thf n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1thf n THR 53 N -0.43 1.50 -2.11 7.28 -2.24 -1.26 -4.99 114.28 112.03 1thf n THR 53 Ca 0.14 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.69 1thf n THR 53 Cb 0.35 -2.12 -0.03 0.00 -2.10 0.00 0.00 70.33 66.43 1thf n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1thf n ALA 54 N -3.87 -0.54 -1.82 6.98 0.00 -1.23 -4.84 120.51 115.19 1thf n ALA 54 Ca -0.30 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1thf n ALA 54 Cb 0.62 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1thf n ALA 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1thf n SER 55 N -1.66 0.00 -4.62 0.00 3.41 -1.26 -4.57 113.62 104.92 1thf n SER 55 Ca -0.21 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.01 1thf n SER 55 Cb 0.64 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.51 1thf n SER 55 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1thf s VAL 56 N 0.00 5.11 0.00 -3.33 1.01 -1.26 -3.80 120.40 118.13 1thf s VAL 56 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1thf s VAL 56 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1thf s VAL 56 CO 0.00 0.12 0.00 -0.62 0.00 0.00 0.00 175.10 174.60 1thf n GLU 57 N 5.41 0.00 -0.21 2.72 1.02 -1.26 -4.91 120.64 123.41 1thf n GLU 57 Ca -0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.99 1thf n GLU 57 Cb 0.50 -1.64 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1thf n GLU 57 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1thf h LYS 58 N 2.31 -0.14 -0.10 3.49 3.11 -1.93 0.51 116.57 123.81 1thf h LYS 58 Ca 0.00 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.89 1thf h LYS 58 Cb 0.00 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.20 1thf h LYS 58 CO 0.00 -0.10 -0.31 -0.09 -2.81 0.00 0.00 179.45 176.14 1thf h ARG 59 N -0.15 -0.39 -0.53 1.90 2.43 -1.91 0.34 114.38 116.07 1thf h ARG 59 Ca 0.09 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 1thf h ARG 59 Cb 0.37 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1thf h ARG 59 CO -0.57 -0.26 -0.11 1.57 -1.51 0.00 0.00 179.97 179.10 1thf h LYS 60 N -0.40 1.00 -0.18 0.20 2.10 -1.85 -2.14 116.57 115.30 1thf h LYS 60 Ca 0.09 -0.36 -0.14 0.00 -2.00 0.00 0.00 60.65 58.24 1thf h LYS 60 Cb 0.54 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 1thf h LYS 60 CO -0.33 1.04 -0.48 1.79 -2.00 0.00 0.00 179.45 179.47 1thf h THR 61 N 0.89 1.32 -0.22 0.07 1.35 0.45 -2.70 112.91 114.08 1thf h THR 61 Ca 0.14 -1.69 -0.12 0.00 -0.55 0.00 0.00 66.41 64.19 1thf h THR 61 Cb 0.66 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1thf h THR 61 CO 0.05 0.52 -0.37 -0.03 -0.25 0.00 0.00 175.52 175.44 1thf h MET 62 N 0.38 0.47 -0.52 4.72 1.85 -0.25 -1.91 114.93 119.68 1thf h MET 62 Ca 0.02 -0.22 -0.02 0.00 -0.61 0.00 0.00 59.70 58.87 1thf h MET 62 Cb 0.98 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.98 1thf h MET 62 CO 0.09 0.77 0.24 -0.07 -0.40 0.00 0.00 176.91 177.54 1thf h LEU 63 N 0.40 0.68 -0.82 3.39 3.38 -1.18 -0.70 115.31 120.46 1thf h LEU 63 Ca 0.04 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1thf h LEU 63 Cb 0.83 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1thf h LEU 63 CO 0.07 0.63 0.31 -0.08 0.09 0.00 0.00 178.44 179.46 1thf h GLU 64 N 0.69 1.18 -0.42 1.13 4.81 -1.33 -1.37 114.58 119.27 1thf h GLU 64 Ca 0.18 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1thf h GLU 64 Cb 0.13 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1thf h GLU 64 CO -0.02 0.96 0.21 1.25 -0.73 0.00 0.00 179.01 180.68 1thf h LEU 65 N 1.15 0.55 -0.37 1.64 6.46 -0.94 -2.20 115.31 121.60 1thf h LEU 65 Ca 0.26 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1thf h LEU 65 Cb 0.22 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 1thf h LEU 65 CO -0.02 0.51 0.24 0.58 -0.62 0.00 0.00 178.44 179.13 1thf h VAL 66 N 0.55 1.10 -0.50 1.05 2.07 -0.82 0.09 116.25 119.78 1thf h VAL 66 Ca 0.15 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1thf h VAL 66 Cb 0.10 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 1thf h VAL 66 CO -0.02 0.09 0.18 -0.33 0.02 0.00 0.00 177.57 177.51 1thf h GLU 67 N 0.49 0.35 -0.18 1.57 5.08 -1.01 -0.40 114.58 120.47 1thf h GLU 67 Ca 0.13 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 1thf h GLU 67 Cb -0.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1thf h GLU 67 CO -0.03 0.23 -0.33 0.87 -1.00 0.00 0.00 179.01 178.75 1thf h LYS 68 N 0.36 0.54 -0.41 2.33 1.57 -1.12 -3.30 116.57 116.54 1thf h LYS 68 Ca 0.24 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1thf h LYS 68 Cb 0.26 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1thf h LYS 68 CO -0.25 0.95 -0.07 0.28 -0.57 0.00 0.00 179.45 179.79 1thf h VAL 69 N 0.19 1.27 -0.63 0.50 2.07 -0.79 -3.24 116.25 115.62 1thf h VAL 69 Ca 0.01 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1thf h VAL 69 Cb 0.93 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1thf h VAL 69 CO 0.07 0.39 0.42 0.00 0.02 0.00 0.00 177.57 178.47 1thf h ALA 70 N 0.86 1.82 0.00 1.67 0.00 -1.16 -1.06 119.26 121.39 1thf h ALA 70 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1thf h ALA 70 Cb 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1thf h ALA 70 CO 0.04 0.07 -0.15 -0.85 0.00 0.00 0.00 179.25 178.36 1thf n GLU 71 N -4.48 0.11 -0.00 0.00 0.28 -1.22 -4.20 120.64 111.13 1thf n GLU 71 Ca 0.09 0.08 0.02 0.00 -0.16 0.00 0.00 57.16 57.19 1thf n GLU 71 Cb 0.25 -1.61 -0.03 0.00 1.43 0.00 0.00 31.44 31.48 1thf n GLU 71 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1thf n GLN 72 N -1.80 1.40 -4.34 3.44 1.13 -0.51 -5.03 117.38 111.67 1thf n GLN 72 Ca 0.06 -0.03 -0.32 0.00 -1.94 0.00 0.00 57.00 54.76 1thf n GLN 72 Cb 0.38 -1.01 -0.09 0.00 0.11 0.00 0.00 30.24 29.63 1thf n GLN 72 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1thf s ILE 73 N -2.09 4.00 -0.56 5.09 -4.36 -0.54 -4.87 121.20 117.87 1thf s ILE 73 Ca -0.01 -0.65 0.14 0.00 -0.26 0.00 0.00 60.65 59.87 1thf s ILE 73 Cb 0.03 -2.77 0.44 0.00 1.25 0.00 0.00 42.46 41.41 1thf s ILE 73 CO 0.18 0.38 1.36 0.47 0.24 0.00 0.00 174.94 177.57 1thf n ASP 74 N 1.45 3.51 -4.44 4.36 8.00 -1.26 -4.87 116.55 123.31 1thf n ASP 74 Ca -0.15 -2.53 -0.25 0.00 0.71 0.00 0.00 54.79 52.57 1thf n ASP 74 Cb 0.53 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 1thf n ASP 74 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1thf s ILE 75 N -1.95 2.36 0.55 0.53 -4.36 -1.26 -5.12 121.20 111.96 1thf s ILE 75 Ca 0.34 -2.19 -0.21 0.00 -0.26 0.00 0.00 60.65 58.33 1thf s ILE 75 Cb 0.24 -2.18 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 1thf s ILE 75 CO 0.13 -0.26 1.29 -2.84 0.24 0.00 0.00 174.94 173.50 1thf s PRO 76 N -3.05 3.13 0.02 0.37 0.02 -1.26 -4.85 135.00 129.38 1thf s PRO 76 Ca 0.24 2.05 0.01 0.00 0.02 0.00 0.00 61.00 63.33 1thf s PRO 76 Cb -0.06 -2.16 -0.01 0.00 0.02 0.00 0.00 34.50 32.28 1thf s PRO 76 CO 0.12 -1.14 -0.05 -0.59 -0.33 0.00 0.00 177.00 175.00 1thf s PHE 77 N -1.41 0.47 -0.02 6.54 -0.71 -1.26 -1.41 117.98 120.18 1thf s PHE 77 Ca 0.73 -0.31 0.01 0.00 -1.04 0.00 0.00 56.93 56.32 1thf s PHE 77 Cb -0.36 -0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.12 1thf s PHE 77 CO 0.41 -0.06 -0.02 0.99 -1.34 0.00 0.00 175.22 175.20 1thf s THR 78 N -0.82 4.04 -0.08 -4.49 2.01 -0.35 -1.83 115.64 114.12 1thf s THR 78 Ca -0.06 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1thf s THR 78 Cb -0.06 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1thf s THR 78 CO -0.00 0.43 -0.17 0.54 -0.69 0.00 0.00 174.62 174.74 1thf s VAL 79 N -1.02 2.80 0.23 3.82 0.11 -0.64 -0.58 120.40 125.12 1thf s VAL 79 Ca 0.18 -0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 58.37 1thf s VAL 79 Cb -0.11 -2.11 -0.02 0.00 -1.53 0.00 0.00 36.38 32.60 1thf s VAL 79 CO 0.08 0.56 0.31 -0.83 -3.33 0.00 0.00 175.10 171.89 1thf s GLY 80 N -0.18 1.01 0.00 6.54 0.00 -0.27 -0.74 107.32 113.68 1thf s GLY 80 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1thf s GLY 80 CO 0.03 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 172.73 1thf n GLY 81 N -0.33 0.94 2.21 0.20 0.00 -1.26 -0.90 105.19 106.05 1thf n GLY 81 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 1thf n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thf n GLY 82 N 0.45 0.57 3.58 -0.02 0.00 -1.26 -4.63 105.19 103.88 1thf n GLY 82 Ca 0.00 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1thf n GLY 82 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thf s ILE 83 N -2.37 3.92 -1.04 -0.61 1.01 -1.26 -4.88 121.20 115.96 1thf s ILE 83 Ca 0.00 0.84 0.23 0.00 0.00 0.00 0.00 60.65 61.71 1thf s ILE 83 Cb 0.00 -4.53 -0.12 0.00 0.01 0.00 0.00 42.46 37.81 1thf s ILE 83 CO 0.00 -1.17 1.11 1.41 0.00 0.00 0.00 174.94 176.29 1thf n HIS 84 N 8.92 0.00 -3.89 3.97 8.25 -1.26 -4.54 115.22 126.67 1thf n HIS 84 Ca 0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.49 1thf n HIS 84 Cb 0.49 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 1thf n HIS 84 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1thf s ASP 85 N -2.98 -0.04 0.14 0.41 1.47 -1.26 -4.85 116.67 109.57 1thf s ASP 85 Ca 0.10 -0.92 -0.16 0.00 1.18 0.00 0.00 52.55 52.75 1thf s ASP 85 Cb 0.17 0.74 0.00 0.00 -0.34 0.00 0.00 42.92 43.49 1thf s ASP 85 CO 0.79 -1.42 1.74 0.15 0.68 0.00 0.00 175.17 177.10 1thf h PHE 86 N 2.05 0.56 -0.83 2.11 3.57 -1.95 -2.56 116.94 119.88 1thf h PHE 86 Ca -0.25 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.25 1thf h PHE 86 Cb 1.25 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 1thf h PHE 86 CO 0.83 0.44 0.54 1.49 -2.23 0.00 0.00 178.31 179.39 1thf h GLU 87 N 0.51 1.05 -0.32 1.11 4.57 -1.98 0.12 114.58 119.64 1thf h GLU 87 Ca 0.14 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1thf h GLU 87 Cb 0.08 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1thf h GLU 87 CO -0.02 0.70 0.14 1.15 -1.18 0.00 0.00 179.01 179.79 1thf h THR 88 N 1.09 1.18 -0.56 0.32 2.02 -1.95 -1.04 112.91 113.97 1thf h THR 88 Ca 0.31 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1thf h THR 88 Cb -0.08 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1thf h THR 88 CO -0.08 0.19 0.30 0.00 0.37 0.00 0.00 175.52 176.29 1thf h ALA 89 N 0.98 0.72 -0.60 6.16 0.00 -1.08 -2.38 119.26 123.07 1thf h ALA 89 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1thf h ALA 89 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1thf h ALA 89 CO -0.01 0.25 0.36 1.03 0.00 0.00 0.00 179.25 180.88 1thf h SER 90 N 0.76 0.72 -0.73 0.00 0.87 -0.56 -1.89 113.55 112.72 1thf h SER 90 Ca 0.20 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1thf h SER 90 Cb 0.07 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1thf h SER 90 CO -0.03 0.56 0.43 -0.33 -0.53 0.00 0.00 176.83 176.93 1thf h GLU 91 N 0.81 0.99 -0.30 2.24 5.08 -0.96 -0.01 114.58 122.43 1thf h GLU 91 Ca 0.21 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1thf h GLU 91 Cb -0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1thf h GLU 91 CO -0.04 0.72 0.05 -0.07 -1.00 0.00 0.00 179.01 178.67 1thf h LEU 92 N 1.00 0.47 -0.48 1.33 3.38 -1.06 -2.24 115.31 117.71 1thf h LEU 92 Ca 0.26 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1thf h LEU 92 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1thf h LEU 92 CO -0.05 0.61 -0.00 0.40 0.09 0.00 0.00 178.44 179.49 1thf h ILE 93 N 0.32 1.26 -0.49 1.22 2.04 -1.12 -1.47 117.51 119.27 1thf h ILE 93 Ca 0.09 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 64.92 1thf h ILE 93 Cb 0.34 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1thf h ILE 93 CO 0.01 0.37 0.33 -0.07 0.00 0.00 0.00 178.15 178.79 1thf h LEU 94 N 0.70 0.46 -0.24 1.44 3.38 -0.93 -0.90 115.31 119.22 1thf h LEU 94 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1thf h LEU 94 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1thf h LEU 94 CO 0.03 0.31 -0.03 0.54 0.09 0.00 0.00 178.44 179.38 1thf n ARG 95 N -4.47 0.99 0.00 1.13 1.74 -0.85 -4.91 116.66 110.29 1thf n ARG 95 Ca 0.06 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1thf n ARG 95 Cb 0.17 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1thf n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1thf n GLY 96 N 1.13 1.03 3.74 -0.13 0.00 -0.34 -4.34 105.19 106.29 1thf n GLY 96 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1thf n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thf s ALA 97 N -1.66 3.59 0.17 4.61 0.00 -0.57 -4.80 121.76 123.11 1thf s ALA 97 Ca 0.00 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1thf s ALA 97 Cb 0.00 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1thf s ALA 97 CO 0.00 -0.67 1.41 -0.44 0.00 0.00 0.00 175.76 176.06 1thf h ASP 98 N 5.17 0.47 -5.11 0.00 3.32 -1.69 -3.39 116.42 115.18 1thf h ASP 98 Ca -0.45 -0.32 -0.12 0.00 0.02 0.00 0.00 57.03 56.15 1thf h ASP 98 Cb 1.22 -0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.46 1thf h ASP 98 CO 0.78 1.08 -0.50 -0.54 -1.72 0.00 0.00 179.24 178.33 1thf s LYS 99 N -3.52 0.64 0.03 3.56 1.02 -0.96 -4.36 119.74 116.15 1thf s LYS 99 Ca -0.05 -0.83 0.08 0.00 0.02 0.00 0.00 55.97 55.19 1thf s LYS 99 Cb 0.10 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.64 1thf s LYS 99 CO 0.84 -0.17 -0.24 0.14 -0.92 0.00 0.00 175.35 175.00 1thf s VAL 100 N -2.97 1.96 -0.21 3.17 -7.23 -0.30 -1.62 120.40 113.21 1thf s VAL 100 Ca -0.02 -1.25 -0.06 0.00 -1.81 0.00 0.00 61.98 58.84 1thf s VAL 100 Cb 0.01 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1thf s VAL 100 CO -0.06 0.37 0.02 -0.55 -0.31 0.00 0.00 175.10 174.56 1thf s SER 101 N -1.06 4.96 0.05 4.85 0.15 0.09 -1.03 113.70 121.70 1thf s SER 101 Ca 0.10 -0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.66 1thf s SER 101 Cb -0.09 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1thf s SER 101 CO 0.01 0.05 -0.26 0.27 1.20 0.00 0.00 173.24 174.52 1thf s ILE 102 N 1.07 2.08 0.00 6.45 -4.36 -0.52 -4.28 121.20 121.63 1thf s ILE 102 Ca 0.03 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 1thf s ILE 102 Cb -0.14 -1.78 0.00 0.00 1.25 0.00 0.00 42.46 41.78 1thf s ILE 102 CO 0.02 0.32 0.00 -3.20 0.24 0.00 0.00 174.94 172.32 1thf n ASN 103 N 1.71 0.00 -0.32 4.36 4.05 -1.26 -0.68 115.26 123.12 1thf n ASN 103 Ca -0.17 0.00 0.02 0.00 0.45 0.00 0.00 54.58 54.88 1thf n ASN 103 Cb 0.52 0.00 0.20 0.00 1.23 0.00 0.00 39.78 41.74 1thf n ASN 103 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1thf h THR 104 N 0.00 1.12 -0.13 -0.44 2.02 -1.91 -0.82 112.91 112.75 1thf h THR 104 Ca 0.00 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1thf h THR 104 Cb 0.00 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.30 1thf h THR 104 CO 0.00 0.20 -0.22 0.00 0.37 0.00 0.00 175.52 175.87 1thf h ALA 105 N 1.48 1.40 -0.20 6.16 0.00 -1.89 -1.56 119.26 124.64 1thf h ALA 105 Ca 0.38 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1thf h ALA 105 Cb 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1thf h ALA 105 CO -0.13 0.42 -0.35 0.00 0.00 0.00 0.00 179.25 179.19 1thf h ALA 106 N 1.58 0.32 -0.95 0.00 0.00 -1.44 -1.82 119.26 116.95 1thf h ALA 106 Ca 0.04 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1thf h ALA 106 Cb 0.51 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1thf h ALA 106 CO 0.03 0.38 0.62 0.28 0.00 0.00 0.00 179.25 180.56 1thf h VAL 107 N 0.27 1.25 0.00 0.00 2.07 -0.99 -1.59 116.25 117.26 1thf h VAL 107 Ca 0.01 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1thf h VAL 107 Cb 0.94 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1thf h VAL 107 CO 0.08 0.24 0.00 -0.33 0.02 0.00 0.00 177.57 177.58 1thf h GLU 108 N 1.29 0.00 -1.32 1.57 5.08 -1.26 -3.39 114.58 116.55 1thf h GLU 108 Ca 0.35 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.40 1thf h GLU 108 Cb -0.13 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 28.89 1thf h GLU 108 CO -0.07 0.00 -0.67 -1.71 -1.00 0.00 0.00 179.01 175.56 1thf n ASN 109 N -2.46 -2.33 0.02 1.42 4.05 -0.69 -5.03 115.26 110.24 1thf n ASN 109 Ca 0.05 -2.80 0.20 0.00 0.45 0.00 0.00 54.58 52.48 1thf n ASN 109 Cb 0.44 0.97 0.69 0.00 1.23 0.00 0.00 39.78 43.11 1thf n ASN 109 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1thf h PRO 110 N 4.99 0.00 0.00 1.20 0.11 -1.50 0.53 132.00 137.33 1thf h PRO 110 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1thf h PRO 110 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1thf h PRO 110 CO 0.18 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.84 1thf n SER 111 N -4.38 0.00 -0.36 -2.05 3.41 -1.26 -1.90 113.62 107.08 1thf n SER 111 Ca 0.09 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1thf n SER 111 Cb 0.58 -0.47 0.14 0.00 -0.26 0.00 0.00 64.21 64.19 1thf n SER 111 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1thf h LEU 112 N 0.00 1.04 -0.20 1.04 5.85 -1.22 -0.23 115.31 121.59 1thf h LEU 112 Ca 0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1thf h LEU 112 Cb 0.26 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1thf h LEU 112 CO 0.00 0.71 -0.22 0.40 -0.34 0.00 0.00 178.44 178.99 1thf h ILE 113 N 1.21 0.44 -0.53 4.05 2.04 -1.56 -2.05 117.51 121.12 1thf h ILE 113 Ca 0.39 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.19 1thf h ILE 113 Cb 0.03 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1thf h ILE 113 CO -0.13 0.00 0.08 0.74 0.00 0.00 0.00 178.15 178.84 1thf h THR 114 N -0.24 1.24 -0.15 -0.27 2.02 -1.28 -1.54 112.91 112.67 1thf h THR 114 Ca 0.12 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1thf h THR 114 Cb 0.43 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1thf h THR 114 CO -0.34 0.33 0.09 1.56 0.37 0.00 0.00 175.52 177.54 1thf h GLN 115 N 0.80 0.21 -0.37 6.66 4.20 -0.75 0.12 115.11 125.98 1thf h GLN 115 Ca 0.17 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1thf h GLN 115 Cb 0.37 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1thf h GLN 115 CO 0.01 0.18 0.01 0.82 -0.67 0.00 0.00 178.83 179.18 1thf h ILE 116 N 0.18 1.25 -0.78 2.54 2.04 -1.24 -2.44 117.51 119.06 1thf h ILE 116 Ca 0.06 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1thf h ILE 116 Cb 0.02 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1thf h ILE 116 CO -0.01 0.32 0.43 0.00 0.00 0.00 0.00 178.15 178.89 1thf h ALA 117 N 0.88 1.00 -0.26 1.87 0.00 -1.01 -0.43 119.26 121.30 1thf h ALA 117 Ca 0.11 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1thf h ALA 117 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1thf h ALA 117 CO 0.02 0.51 -0.31 1.96 0.00 0.00 0.00 179.25 181.43 1thf h GLN 118 N 1.08 0.54 0.16 0.00 4.20 -0.67 0.23 115.11 120.65 1thf h GLN 118 Ca 0.28 -0.23 -0.22 0.00 0.06 0.00 0.00 58.65 58.53 1thf h GLN 118 Cb 0.03 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 27.81 1thf h GLN 118 CO -0.05 0.79 -1.00 1.15 -0.67 0.00 0.00 178.83 179.05 1thf h THR 119 N 0.46 1.43 -0.01 -0.54 2.02 -1.19 -3.40 112.91 111.70 1thf h THR 119 Ca 0.06 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1thf h THR 119 Cb 0.77 3.14 0.00 0.00 -1.74 0.00 0.00 68.15 70.32 1thf h THR 119 CO 0.06 0.74 -0.15 0.49 0.37 0.00 0.00 175.52 177.03 1thf n PHE 120 N -4.02 0.00 0.00 3.16 3.72 -0.19 -5.10 117.46 115.02 1thf n PHE 120 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1thf n PHE 120 Cb 0.89 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1thf n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1thf n GLY 121 N 0.80 1.63 0.29 1.37 0.00 0.79 -4.55 105.19 105.52 1thf n GLY 121 Ca 0.04 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.51 1thf n GLY 121 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1thf h SER 122 N 0.00 0.23 0.43 1.61 4.64 -1.82 -2.16 113.55 116.49 1thf h SER 122 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1thf h SER 122 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1thf h SER 122 CO 0.00 0.16 0.00 1.56 -0.87 0.00 0.00 176.83 177.68 1thf h GLN 123 N 0.27 0.00 0.00 4.77 4.20 -1.90 -1.46 115.11 120.99 1thf h GLN 123 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1thf h GLN 123 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1thf h GLN 123 CO -0.02 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.10 1thf n ALA 124 N -1.98 2.38 -3.52 3.87 0.00 -0.81 -4.76 120.51 115.69 1thf n ALA 124 Ca -0.01 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 52.99 1thf n ALA 124 Cb 0.16 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.03 1thf n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1thf s VAL 125 N -3.04 3.27 -0.24 0.00 0.11 -0.61 -1.15 120.40 118.75 1thf s VAL 125 Ca 0.13 -0.87 -0.08 0.00 -2.93 0.00 0.00 61.98 58.23 1thf s VAL 125 Cb 0.17 -2.66 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1thf s VAL 125 CO 0.56 0.18 0.09 -0.69 -3.33 0.00 0.00 175.10 171.91 1thf s VAL 126 N 1.39 4.60 -0.36 2.04 1.01 -0.20 -1.13 120.40 127.76 1thf s VAL 126 Ca 0.01 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 1thf s VAL 126 Cb -0.17 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1thf s VAL 126 CO -0.02 0.35 0.35 -0.69 0.00 0.00 0.00 175.10 175.09 1thf s VAL 127 N 1.35 5.18 -0.18 2.92 1.01 -0.56 -1.44 120.40 128.69 1thf s VAL 127 Ca 0.05 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 1thf s VAL 127 Cb -0.15 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1thf s VAL 127 CO 0.04 -0.13 0.91 0.00 0.00 0.00 0.00 175.10 175.93 1thf s ALA 128 N 1.96 3.55 -0.25 5.51 0.00 0.14 -0.90 121.76 131.77 1thf s ALA 128 Ca 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 1thf s ALA 128 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1thf s ALA 128 CO 0.12 -0.76 -0.06 0.42 0.00 0.00 0.00 175.76 175.47 1thf s ILE 129 N 2.44 2.90 -0.22 0.00 1.01 0.56 -4.33 121.20 123.55 1thf s ILE 129 Ca 0.41 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 59.95 1thf s ILE 129 Cb -0.16 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1thf s ILE 129 CO 0.11 0.22 0.25 -1.81 0.00 0.00 0.00 174.94 173.71 1thf s ASP 130 N 1.34 6.24 0.10 3.58 1.01 -1.26 -0.95 116.67 126.72 1thf s ASP 130 Ca 0.01 0.27 0.02 0.00 0.71 0.00 0.00 52.55 53.55 1thf s ASP 130 Cb -0.16 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 1thf s ASP 130 CO -0.04 0.01 -0.07 0.00 0.21 0.00 0.00 175.17 175.28 1thf s ALA 131 N 1.14 0.99 0.04 5.23 0.00 -0.71 -1.00 121.76 127.46 1thf s ALA 131 Ca 0.12 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1thf s ALA 131 Cb -0.14 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1thf s ALA 131 CO 0.06 -0.22 0.01 0.15 0.00 0.00 0.00 175.76 175.77 1thf s LYS 132 N -3.73 0.50 -0.33 0.00 1.02 -0.95 -3.17 119.74 113.09 1thf s LYS 132 Ca 0.11 -0.84 -0.22 0.00 0.02 0.00 0.00 55.97 55.04 1thf s LYS 132 Cb 0.04 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1thf s LYS 132 CO -0.04 -0.10 0.72 0.50 -0.92 0.00 0.00 175.35 175.51 1thf s ARG 133 N -2.61 3.86 -0.34 1.68 3.52 -1.26 -1.12 118.95 122.69 1thf s ARG 133 Ca -0.05 0.38 -0.05 0.00 -0.13 0.00 0.00 55.73 55.87 1thf s ARG 133 Cb -0.01 -3.76 0.05 0.00 -1.56 0.00 0.00 34.95 29.67 1thf s ARG 133 CO -0.05 -0.69 0.10 0.08 -0.81 0.00 0.00 175.30 173.93 1thf s VAL 134 N 2.86 3.62 -1.44 7.11 1.01 0.53 -4.66 120.40 129.43 1thf s VAL 134 Ca 0.29 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1thf s VAL 134 Cb -0.14 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1thf s VAL 134 CO 0.14 -0.22 0.39 0.47 0.00 0.00 0.00 175.10 175.87 1thf n ASP 135 N 4.77 -0.33 0.00 3.32 8.00 -1.26 -1.43 116.55 129.62 1thf n ASP 135 Ca -0.12 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1thf n ASP 135 Cb 0.44 -2.88 0.00 0.00 -0.02 0.00 0.00 41.12 38.66 1thf n ASP 135 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1thf n GLY 136 N -2.02 1.09 3.15 0.44 0.00 -1.26 -5.02 105.19 101.57 1thf n GLY 136 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1thf n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thf s GLU 137 N -0.00 2.51 -0.05 1.61 2.02 -0.51 -5.09 118.70 119.18 1thf s GLU 137 Ca 0.00 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 1thf s GLU 137 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1thf s GLU 137 CO 0.00 0.13 1.38 -0.06 0.02 0.00 0.00 175.26 176.73 1thf s PHE 138 N 0.44 2.78 0.14 1.61 0.08 -1.26 -0.35 117.98 121.42 1thf s PHE 138 Ca -0.17 0.83 0.10 0.00 0.12 0.00 0.00 56.93 57.82 1thf s PHE 138 Cb -0.17 -3.63 -0.04 0.00 -0.57 0.00 0.00 43.02 38.61 1thf s PHE 138 CO 0.07 -2.33 -0.25 -1.64 -0.10 0.00 0.00 175.22 170.97 1thf s MET 139 N 2.80 1.35 -0.09 0.44 -1.94 -0.27 -1.06 119.30 120.54 1thf s MET 139 Ca 0.62 -1.34 -0.24 0.00 -1.71 0.00 0.00 55.69 53.03 1thf s MET 139 Cb -0.29 -1.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.77 1thf s MET 139 CO 0.24 0.41 0.72 0.08 -0.01 0.00 0.00 175.02 176.46 1thf s VAL 140 N -1.22 5.02 -0.08 -6.03 1.01 -0.27 -2.23 120.40 116.59 1thf s VAL 140 Ca 0.13 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1thf s VAL 140 Cb -0.09 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1thf s VAL 140 CO 0.06 0.21 -0.12 -0.36 0.00 0.00 0.00 175.10 174.89 1thf s PHE 141 N 1.06 2.80 0.52 5.22 0.40 -0.17 -1.63 117.98 126.17 1thf s PHE 141 Ca 0.37 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1thf s PHE 141 Cb -0.18 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.64 1thf s PHE 141 CO 0.17 0.09 0.11 0.25 0.70 0.00 0.00 175.22 176.54 1thf n THR 142 N 2.71 0.00 -3.51 0.64 -2.24 -0.01 -4.31 114.28 107.55 1thf n THR 142 Ca -0.18 -2.32 -0.22 0.00 -2.27 0.00 0.00 64.05 59.06 1thf n THR 142 Cb 0.52 0.34 0.05 0.00 -2.10 0.00 0.00 70.33 69.14 1thf n THR 142 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1thf n TYR 143 N -1.40 -2.13 -3.83 4.78 4.01 -1.26 -1.59 117.16 115.73 1thf n TYR 143 Ca -0.16 0.72 -0.25 0.00 -0.16 0.00 0.00 57.90 58.05 1thf n TYR 143 Cb 0.63 -4.01 0.01 0.00 -0.31 0.00 0.00 39.34 35.67 1thf n TYR 143 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1thf n SER 144 N -2.99 -1.53 -0.58 7.72 7.64 -1.26 -1.76 113.62 120.87 1thf n SER 144 Ca -0.14 -0.88 -0.08 0.00 1.01 0.00 0.00 58.87 58.78 1thf n SER 144 Cb 0.63 -3.66 -0.03 0.00 -1.01 0.00 0.00 64.21 60.13 1thf n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1thf n GLY 145 N -1.71 0.88 0.01 0.23 0.00 -1.13 -4.89 105.19 98.58 1thf n GLY 145 Ca -0.24 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.63 1thf n GLY 145 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1thf n LYS 146 N -1.74 0.50 -4.08 1.61 4.76 -0.72 -4.85 118.16 113.65 1thf n LYS 146 Ca -0.08 -0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.02 1thf n LYS 146 Cb 0.38 -1.43 -0.16 0.00 -1.84 0.00 0.00 35.03 31.98 1thf n LYS 146 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1thf s LYS 147 N -2.85 2.53 -0.41 1.97 2.20 -0.62 -5.00 119.74 117.56 1thf s LYS 147 Ca 0.08 -1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 54.38 1thf s LYS 147 Cb 0.15 -2.65 0.01 0.00 -1.51 0.00 0.00 37.83 33.83 1thf s LYS 147 CO 0.80 -0.38 1.31 1.21 -0.36 0.00 0.00 175.35 177.93 1thf s ASN 148 N 1.24 6.48 0.43 1.43 3.04 -1.26 -0.83 114.94 125.47 1thf s ASN 148 Ca -0.01 0.79 0.29 0.00 0.04 0.00 0.00 52.86 53.96 1thf s ASN 148 Cb -0.16 -2.54 1.10 0.00 -1.54 0.00 0.00 41.25 38.11 1thf s ASN 148 CO -0.09 -1.32 1.85 0.71 -3.04 0.00 0.00 177.10 175.21 1thf h THR 149 N 6.31 0.00 0.00 -5.21 1.35 -1.68 -3.47 112.91 110.21 1thf h THR 149 Ca -0.26 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1thf h THR 149 Cb 1.09 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1thf h THR 149 CO 1.09 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.97 1thf n GLY 150 N 0.24 1.18 3.70 5.82 0.00 -1.26 -5.01 105.19 109.86 1thf n GLY 150 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1thf n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1thf s ILE 151 N -3.53 5.07 0.25 -0.61 1.01 -1.26 -4.99 121.20 117.15 1thf s ILE 151 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 1thf s ILE 151 Cb 0.00 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 1thf s ILE 151 CO 0.00 0.23 1.20 -0.76 0.00 0.00 0.00 174.94 175.60 1thf s LEU 152 N 1.10 4.48 0.29 2.97 1.43 -1.26 -1.11 118.68 126.58 1thf s LEU 152 Ca 0.32 2.36 0.03 0.00 -1.03 0.00 0.00 54.13 55.81 1thf s LEU 152 Cb -0.16 -3.62 0.64 0.00 0.03 0.00 0.00 46.19 43.07 1thf s LEU 152 CO 0.14 -0.34 1.79 0.25 0.23 0.00 0.00 176.35 178.42 1thf h LEU 153 N 4.32 0.80 -0.44 1.79 5.85 -1.38 -1.62 115.31 124.63 1thf h LEU 153 Ca -0.46 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1thf h LEU 153 Cb 1.22 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1thf h LEU 153 CO 0.70 0.34 0.13 -0.09 -0.34 0.00 0.00 178.44 179.18 1thf h ARG 154 N 0.82 0.27 -0.34 1.25 2.43 -1.92 -0.93 114.38 115.97 1thf h ARG 154 Ca 0.53 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.52 1thf h ARG 154 Cb 0.71 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1thf h ARG 154 CO -0.34 0.18 -0.44 -0.44 -1.51 0.00 0.00 179.97 177.42 1thf h ASP 155 N 0.28 0.94 -0.28 -3.80 3.32 -1.71 -3.00 116.42 112.17 1thf h ASP 155 Ca 0.21 -0.45 -0.15 0.00 0.02 0.00 0.00 57.03 56.65 1thf h ASP 155 Cb 0.24 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1thf h ASP 155 CO -0.24 1.24 -0.40 -0.25 -1.72 0.00 0.00 179.24 177.86 1thf h TRP 156 N 0.70 0.99 -0.18 4.55 -0.00 -1.07 -1.76 115.95 119.17 1thf h TRP 156 Ca 0.04 -0.30 0.03 0.00 -0.00 0.00 0.00 58.89 58.67 1thf h TRP 156 Cb 1.03 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.16 29.95 1thf h TRP 156 CO 0.06 1.09 -0.03 0.28 -0.00 0.00 0.00 178.44 179.85 1thf h VAL 157 N 0.67 0.84 -0.81 2.65 2.07 -1.18 0.14 116.25 120.62 1thf h VAL 157 Ca 0.05 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1thf h VAL 157 Cb 0.97 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1thf h VAL 157 CO 0.09 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.79 1thf h VAL 158 N 0.03 1.22 -0.67 2.57 2.07 -1.42 -2.44 116.25 117.60 1thf h VAL 158 Ca 0.09 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1thf h VAL 158 Cb 0.12 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 1thf h VAL 158 CO -0.17 0.22 0.13 -0.08 0.02 0.00 0.00 177.57 177.69 1thf h GLU 159 N 1.11 1.10 -0.84 1.57 4.57 -0.78 -1.67 114.58 119.63 1thf h GLU 159 Ca 0.30 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1thf h GLU 159 Cb -0.10 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.32 1thf h GLU 159 CO -0.06 1.00 0.44 0.28 -1.18 0.00 0.00 179.01 179.49 1thf h VAL 160 N 1.02 1.25 -0.47 0.32 2.07 -0.43 -0.09 116.25 119.92 1thf h VAL 160 Ca 0.21 -0.65 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 1thf h VAL 160 Cb 0.41 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1thf h VAL 160 CO 0.01 0.29 -0.11 -0.08 0.02 0.00 0.00 177.57 177.70 1thf h GLU 161 N 1.18 0.90 -0.44 1.57 4.81 -1.27 -2.75 114.58 118.58 1thf h GLU 161 Ca 0.29 -0.34 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1thf h GLU 161 Cb 0.06 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1thf h GLU 161 CO -0.04 0.99 0.29 -0.22 -0.73 0.00 0.00 179.01 179.30 1thf h LYS 162 N 0.75 0.54 0.00 1.92 3.64 -0.61 -1.28 116.57 121.53 1thf h LYS 162 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1thf h LYS 162 Cb 0.65 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1thf h LYS 162 CO 0.05 0.36 0.00 0.54 -2.27 0.00 0.00 179.45 178.12 1thf n ARG 163 N -4.47 0.22 0.00 1.90 5.12 -0.11 -4.90 116.66 114.41 1thf n ARG 163 Ca 0.04 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 1thf n ARG 163 Cb 0.08 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 1thf n ARG 163 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1thf n GLY 164 N 0.91 1.02 3.71 -0.13 0.00 -0.48 -3.00 105.19 107.22 1thf n GLY 164 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1thf n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thf s ALA 165 N -2.00 2.06 -0.06 4.61 0.00 -1.06 -4.66 121.76 120.65 1thf s ALA 165 Ca 0.00 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.92 1thf s ALA 165 Cb 0.00 -3.49 -0.24 0.00 0.00 0.00 0.00 23.12 19.39 1thf s ALA 165 CO 0.00 -1.98 0.58 0.78 0.00 0.00 0.00 175.76 175.14 1thf h GLY 166 N -0.40 0.12 -3.56 0.00 0.00 -0.47 -3.47 103.07 95.30 1thf h GLY 166 Ca -0.48 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.49 1thf h GLY 166 CO 0.49 0.26 -0.06 -0.54 0.00 0.00 0.00 176.54 176.69 1thf s GLU 167 N -2.59 0.99 -0.15 4.80 2.02 -1.12 -4.21 118.70 118.44 1thf s GLU 167 Ca -0.11 -0.41 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 1thf s GLU 167 Cb 0.07 0.44 -0.01 0.00 0.10 0.00 0.00 34.13 34.73 1thf s GLU 167 CO 0.81 -0.36 -0.12 0.42 0.02 0.00 0.00 175.26 176.03 1thf s ILE 168 N -2.79 3.03 -0.49 -1.63 1.01 -0.43 -1.50 121.20 118.41 1thf s ILE 168 Ca -0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 1thf s ILE 168 Cb -0.00 -2.29 0.10 0.00 0.01 0.00 0.00 42.46 40.28 1thf s ILE 168 CO -0.05 0.51 0.42 -0.22 0.00 0.00 0.00 174.94 175.60 1thf s LEU 169 N 0.57 5.78 -0.45 2.97 0.20 -0.08 -0.44 118.68 127.23 1thf s LEU 169 Ca -0.08 -1.53 -0.16 0.00 0.69 0.00 0.00 54.13 53.05 1thf s LEU 169 Cb -0.16 -2.17 0.05 0.00 -0.43 0.00 0.00 46.19 43.49 1thf s LEU 169 CO 0.03 -0.71 0.38 -0.22 -0.29 0.00 0.00 176.35 175.54 1thf s LEU 170 N 1.59 5.33 -0.17 -0.68 2.96 0.30 -0.32 118.68 127.69 1thf s LEU 170 Ca 0.04 -1.09 -0.05 0.00 -0.22 0.00 0.00 54.13 52.81 1thf s LEU 170 Cb -0.26 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1thf s LEU 170 CO 0.05 -0.59 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.60 1thf s THR 171 N 1.77 4.23 -0.56 3.68 2.01 -0.13 -1.34 115.64 125.30 1thf s THR 171 Ca 0.06 -0.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.64 1thf s THR 171 Cb -0.21 -2.87 0.10 0.00 0.01 0.00 0.00 72.50 69.52 1thf s THR 171 CO 0.09 0.48 0.63 -0.55 -0.69 0.00 0.00 174.62 174.58 1thf s SER 172 N 0.36 6.19 0.29 3.53 0.15 -0.91 -1.73 113.70 121.56 1thf s SER 172 Ca -0.01 -1.44 0.02 0.00 0.70 0.00 0.00 55.95 55.22 1thf s SER 172 Cb -0.13 -2.27 0.59 0.00 -1.71 0.00 0.00 66.02 62.49 1thf s SER 172 CO 0.02 -1.00 1.82 0.40 1.20 0.00 0.00 173.24 175.68 1thf h ILE 173 N 5.90 0.87 0.00 6.45 2.04 -1.87 -1.52 117.51 129.37 1thf h ILE 173 Ca -0.29 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1thf h ILE 173 Cb 1.09 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1thf h ILE 173 CO 1.05 0.17 0.00 0.47 0.00 0.00 0.00 178.15 179.85 1thf n ASP 174 N -4.66 0.00 -0.00 1.72 8.00 -1.26 -2.34 116.55 118.01 1thf n ASP 174 Ca 0.20 0.50 0.06 0.00 0.71 0.00 0.00 54.79 56.26 1thf n ASP 174 Cb 0.40 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.91 1thf n ASP 174 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1thf n ARG 175 N -1.50 1.18 -1.68 -1.24 5.12 -0.71 -4.94 116.66 112.89 1thf n ARG 175 Ca 0.05 -0.08 -0.49 0.00 -1.93 0.00 0.00 57.85 55.40 1thf n ARG 175 Cb 0.24 -1.22 -0.05 0.00 -1.16 0.00 0.00 32.46 30.27 1thf n ARG 175 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1thf n ASP 176 N -1.73 3.17 0.00 0.55 -0.08 -0.66 -1.44 116.55 116.37 1thf n ASP 176 Ca -0.01 1.02 0.00 0.00 -1.51 0.00 0.00 54.79 54.29 1thf n ASP 176 Cb 0.27 -1.35 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1thf n ASP 176 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1thf n GLY 177 N 4.05 1.32 0.18 0.27 0.00 -1.26 -4.82 105.19 104.93 1thf n GLY 177 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1thf n GLY 177 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1thf h THR 178 N 0.00 0.00 -0.82 2.61 1.35 -1.55 -3.48 112.91 111.03 1thf h THR 178 Ca 0.00 -1.00 -0.35 0.00 -0.55 0.00 0.00 66.41 64.51 1thf h THR 178 Cb 0.00 1.81 -0.14 0.00 -1.73 0.00 0.00 68.15 68.10 1thf h THR 178 CO 0.00 0.00 -0.32 0.29 -0.25 0.00 0.00 175.52 175.24 1thf n LYS 179 N -2.94 -1.26 0.00 4.72 5.02 -1.24 -4.86 118.16 117.60 1thf n LYS 179 Ca 0.03 1.10 0.12 0.00 -2.02 0.00 0.00 58.31 57.54 1thf n LYS 179 Cb 0.54 -5.36 0.25 0.00 -0.02 0.00 0.00 35.03 30.44 1thf n LYS 179 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1thf n SER 180 N -0.89 1.89 0.00 4.39 3.41 -1.08 -4.06 113.62 117.28 1thf n SER 180 Ca -0.17 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.96 1thf n SER 180 Cb 0.58 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 1thf n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1thf n GLY 181 N 1.32 3.27 3.72 5.00 0.00 0.49 -5.00 105.19 113.99 1thf n GLY 181 Ca 0.14 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1thf n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1thf s TYR 182 N -2.09 2.06 -1.16 1.61 2.02 -1.26 -4.31 117.35 114.22 1thf s TYR 182 Ca 0.00 1.68 -0.17 0.00 -0.37 0.00 0.00 57.07 58.21 1thf s TYR 182 Cb 0.00 -3.21 0.12 0.00 -0.40 0.00 0.00 41.96 38.47 1thf s TYR 182 CO 0.00 -2.35 1.47 0.34 -1.57 0.00 0.00 175.55 173.43 1thf s ASP 183 N -3.01 6.84 0.41 2.29 -1.08 -1.26 -4.80 116.67 116.07 1thf s ASP 183 Ca 0.64 -2.45 0.19 0.00 -0.52 0.00 0.00 52.55 50.42 1thf s ASP 183 Cb -0.20 -2.48 0.85 0.00 -1.46 0.00 0.00 42.92 39.64 1thf s ASP 183 CO 0.57 -1.03 1.83 0.71 0.52 0.00 0.00 175.17 177.76 1thf h THR 184 N 5.44 0.91 -0.46 1.71 1.35 -1.93 -1.39 112.91 118.54 1thf h THR 184 Ca 0.31 -1.25 -0.02 0.00 -0.55 0.00 0.00 66.41 64.89 1thf h THR 184 Cb 0.92 1.75 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 1thf h THR 184 CO 1.31 0.31 0.20 -0.08 -0.25 0.00 0.00 175.52 177.01 1thf h GLU 185 N 0.00 0.67 -0.57 4.72 4.81 -1.99 -0.40 114.58 121.82 1thf h GLU 185 Ca -0.00 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1thf h GLU 185 Cb 0.72 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1thf h GLU 185 CO 0.04 0.59 0.10 1.98 -0.73 0.00 0.00 179.01 180.99 1thf h MET 186 N 0.60 0.94 -0.42 1.92 4.05 -1.73 -1.12 114.93 119.17 1thf h MET 186 Ca 0.15 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1thf h MET 186 Cb 0.15 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1thf h MET 186 CO -0.02 0.89 0.23 0.82 0.23 0.00 0.00 176.91 179.07 1thf h ILE 187 N 0.84 1.15 -0.46 1.77 2.04 -1.12 -1.73 117.51 120.00 1thf h ILE 187 Ca 0.17 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1thf h ILE 187 Cb 0.40 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1thf h ILE 187 CO 0.01 0.16 0.10 0.03 0.00 0.00 0.00 178.15 178.45 1thf h ARG 188 N 0.54 0.69 -0.62 2.37 3.08 -0.97 -0.87 114.38 118.59 1thf h ARG 188 Ca 0.15 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1thf h ARG 188 Cb 0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1thf h ARG 188 CO -0.02 0.64 0.18 0.35 -1.07 0.00 0.00 179.97 180.04 1thf h PHE 189 N 0.67 1.02 0.00 3.04 3.57 -0.78 -3.20 116.94 121.26 1thf h PHE 189 Ca 0.15 -0.11 -0.21 0.00 3.53 0.00 0.00 57.97 61.33 1thf h PHE 189 Cb 0.27 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1thf h PHE 189 CO 0.01 0.84 -1.00 0.28 -2.23 0.00 0.00 178.31 176.21 1thf h VAL 190 N 0.90 1.72 -0.62 1.41 2.07 -0.92 -3.39 116.25 117.41 1thf h VAL 190 Ca 0.20 -3.42 0.13 0.00 0.82 0.00 0.00 66.70 64.43 1thf h VAL 190 Cb 0.32 2.85 -0.10 0.00 -1.52 0.00 0.00 31.29 32.84 1thf h VAL 190 CO -0.00 0.98 0.04 -0.09 0.02 0.00 0.00 177.57 178.52 1thf h ARG 191 N 0.00 0.15 0.00 1.57 9.65 -1.16 -0.38 114.38 124.22 1thf h ARG 191 Ca -0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1thf h ARG 191 Cb 1.77 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.32 1thf h ARG 191 CO 0.13 0.10 0.00 -0.35 2.80 0.00 0.00 179.97 182.65 1thf n PRO 192 N -5.24 0.06 0.00 0.20 -0.04 -1.26 -3.36 135.00 125.36 1thf n PRO 192 Ca 0.09 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1thf n PRO 192 Cb 0.36 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.53 1thf n PRO 192 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1thf n LEU 193 N -1.46 0.55 -3.84 1.53 4.77 -0.15 -4.92 117.00 113.47 1thf n LEU 193 Ca 0.07 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1thf n LEU 193 Cb 0.26 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1thf n LEU 193 CO 0.21 0.12 -0.12 0.28 -1.33 0.00 0.00 177.39 176.55 1thf s THR 194 N -3.02 0.08 -1.16 -5.08 -1.32 -1.21 -4.51 115.64 99.42 1thf s THR 194 Ca 0.10 -0.65 0.24 0.00 -1.21 0.00 0.00 61.69 60.17 1thf s THR 194 Cb 0.17 -0.51 -0.05 0.00 -1.51 0.00 0.00 72.50 70.60 1thf s THR 194 CO 0.72 -0.36 1.22 0.35 -2.21 0.00 0.00 174.62 174.34 1thf n THR 195 N 1.35 0.00 -1.81 5.08 -2.24 -1.26 -4.88 114.28 110.53 1thf n THR 195 Ca -0.22 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 1thf n THR 195 Cb 0.56 0.62 0.03 0.00 -2.10 0.00 0.00 70.33 69.44 1thf n THR 195 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1thf s LEU 196 N -2.91 3.34 0.25 3.22 1.43 -1.26 -4.98 118.68 117.78 1thf s LEU 196 Ca 0.12 1.79 -0.31 0.00 -1.03 0.00 0.00 54.13 54.70 1thf s LEU 196 Cb 0.17 -4.52 -0.12 0.00 0.03 0.00 0.00 46.19 41.75 1thf s LEU 196 CO 0.73 -1.39 1.66 -2.84 0.23 0.00 0.00 176.35 174.75 1thf s PRO 197 N -4.41 4.12 -0.25 1.29 0.02 -1.26 -4.84 135.00 129.67 1thf s PRO 197 Ca 0.62 2.60 -0.07 0.00 0.02 0.00 0.00 61.00 64.17 1thf s PRO 197 Cb -0.16 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1thf s PRO 197 CO 0.44 -0.69 0.06 0.42 -0.33 0.00 0.00 177.00 176.89 1thf s ILE 198 N 0.55 4.15 -0.47 2.83 1.01 -1.26 -1.31 121.20 126.70 1thf s ILE 198 Ca 0.69 -0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.88 1thf s ILE 198 Cb -0.49 -2.96 0.04 0.00 0.01 0.00 0.00 42.46 39.07 1thf s ILE 198 CO 0.41 0.32 0.56 -0.63 0.00 0.00 0.00 174.94 175.60 1thf s ILE 199 N 1.58 4.95 0.25 2.92 1.01 0.41 -0.45 121.20 131.87 1thf s ILE 199 Ca 0.06 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 1thf s ILE 199 Cb -0.15 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1thf s ILE 199 CO 0.03 -0.66 1.02 0.00 0.00 0.00 0.00 174.94 175.32 1thf s ALA 200 N 2.46 3.37 -0.08 9.38 0.00 0.03 -0.54 121.76 136.38 1thf s ALA 200 Ca 0.15 0.75 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 1thf s ALA 200 Cb -0.18 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1thf s ALA 200 CO 0.13 0.01 0.20 0.45 0.00 0.00 0.00 175.76 176.55 1thf s SER 201 N -0.91 -0.21 0.00 0.00 0.15 -0.45 -0.70 113.70 111.58 1thf s SER 201 Ca 0.43 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1thf s SER 201 Cb -0.29 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1thf s SER 201 CO 0.36 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1thf n GLY 202 N 3.16 1.34 0.00 9.45 0.00 -1.26 -2.15 105.19 115.73 1thf n GLY 202 Ca -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1thf n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thf n GLY 203 N 2.27 1.97 3.66 -0.02 0.00 -1.10 -4.13 105.19 107.84 1thf n GLY 203 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1thf n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thf n ALA 204 N -0.42 0.82 0.00 4.61 0.00 -1.26 -0.38 120.51 123.88 1thf n ALA 204 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1thf n ALA 204 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1thf n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thf n GLY 205 N 2.08 0.00 3.32 0.00 0.00 -1.26 -4.29 105.19 105.05 1thf n GLY 205 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1thf n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1thf s LYS 206 N -0.85 1.14 0.24 1.61 -2.85 -1.26 -4.93 119.74 112.85 1thf s LYS 206 Ca 0.00 -1.22 -0.05 0.00 -1.00 0.00 0.00 55.97 53.70 1thf s LYS 206 Cb 0.00 0.36 0.41 0.00 -2.06 0.00 0.00 37.83 36.54 1thf s LYS 206 CO 0.00 -0.41 1.78 0.52 0.10 0.00 0.00 175.35 177.34 1thf h MET 207 N 2.57 0.64 -0.10 1.78 2.86 -1.99 -0.79 114.93 119.90 1thf h MET 207 Ca -0.32 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.31 1thf h MET 207 Cb 1.23 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 1thf h MET 207 CO 0.49 0.43 0.08 1.49 1.06 0.00 0.00 176.91 180.46 1thf h GLU 208 N 0.66 0.00 -0.51 1.72 4.22 -1.99 -1.60 114.58 117.08 1thf h GLU 208 Ca 0.39 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.80 1thf h GLU 208 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1thf h GLU 208 CO -0.29 0.00 0.16 0.45 -2.18 0.00 0.00 179.01 177.15 1thf h HIS 209 N 0.00 0.76 -0.51 0.92 3.86 -1.55 -1.58 115.15 117.05 1thf h HIS 209 Ca 0.05 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1thf h HIS 209 Cb 0.21 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1thf h HIS 209 CO 0.00 0.62 0.14 0.74 0.86 0.00 0.00 177.93 180.29 1thf h PHE 210 N 0.73 0.83 -0.41 2.45 -1.00 -1.36 -1.56 116.94 116.62 1thf h PHE 210 Ca 0.17 -0.09 0.03 0.00 2.81 0.00 0.00 57.97 60.88 1thf h PHE 210 Cb 0.22 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 1thf h PHE 210 CO 0.01 0.73 0.22 1.25 -1.61 0.00 0.00 178.31 178.91 1thf h LEU 211 N 0.69 0.33 -1.07 1.54 5.85 -1.25 -1.67 115.31 119.73 1thf h LEU 211 Ca 0.16 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1thf h LEU 211 Cb 0.31 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1thf h LEU 211 CO -0.00 0.24 0.44 -0.33 -0.34 0.00 0.00 178.44 178.44 1thf h GLU 212 N 0.44 1.09 -0.50 1.25 4.39 -1.11 0.33 114.58 120.47 1thf h GLU 212 Ca 0.17 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1thf h GLU 212 Cb 0.06 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1thf h GLU 212 CO -0.11 0.79 0.21 0.00 -1.16 0.00 0.00 179.01 178.74 1thf h ALA 213 N 1.39 0.64 -0.33 3.43 0.00 -0.76 -1.03 119.26 122.60 1thf h ALA 213 Ca 0.28 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1thf h ALA 213 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1thf h ALA 213 CO -0.05 0.24 -0.30 0.74 0.00 0.00 0.00 179.25 179.88 1thf h PHE 214 N 0.66 0.82 0.00 0.00 0.04 -0.84 -1.97 116.94 115.65 1thf h PHE 214 Ca 0.17 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 1thf h PHE 214 Cb 0.17 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1thf h PHE 214 CO 0.00 0.92 -0.22 -0.07 -0.60 0.00 0.00 178.31 178.35 1thf h LEU 215 N 0.60 0.00 0.00 1.54 3.38 -0.69 -1.14 115.31 119.00 1thf h LEU 215 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1thf h LEU 215 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1thf h LEU 215 CO 0.07 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1thf n ALA 216 N -2.36 2.30 0.00 1.53 0.00 -0.41 -4.90 120.51 116.67 1thf n ALA 216 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1thf n ALA 216 Cb 0.31 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1thf n ALA 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thf n GLY 217 N 1.27 0.95 3.75 0.00 0.00 -0.43 -3.81 105.19 106.93 1thf n GLY 217 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1thf n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thf s ALA 218 N -2.00 2.74 -0.10 4.61 0.00 -0.77 -4.82 121.76 121.43 1thf s ALA 218 Ca 0.00 1.17 0.21 0.00 0.00 0.00 0.00 51.96 53.34 1thf s ALA 218 Cb 0.00 -3.50 -0.24 0.00 0.00 0.00 0.00 23.12 19.38 1thf s ALA 218 CO 0.00 -1.21 0.57 -0.25 0.00 0.00 0.00 175.76 174.88 1thf n ASP 219 N -1.14 0.26 -3.83 0.00 8.00 0.41 -4.62 116.55 115.63 1thf n ASP 219 Ca 0.11 0.10 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 1thf n ASP 219 Cb 0.47 1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 42.86 1thf n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1thf s ALA 220 N -3.30 -0.44 -0.19 2.24 0.00 -0.82 -1.73 121.76 117.53 1thf s ALA 220 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1thf s ALA 220 Cb 0.12 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1thf s ALA 220 CO 0.87 -0.34 -0.15 0.00 0.00 0.00 0.00 175.76 176.13 1thf s ALA 221 N -2.33 2.17 -0.09 0.00 0.00 -0.24 -0.79 121.76 120.49 1thf s ALA 221 Ca -0.07 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.60 1thf s ALA 221 Cb -0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1thf s ALA 221 CO -0.02 -0.55 0.22 -1.17 0.00 0.00 0.00 175.76 174.23 1thf s LEU 222 N 1.34 4.41 -0.06 0.00 2.96 0.13 -1.03 118.68 126.43 1thf s LEU 222 Ca 0.02 0.60 -0.08 0.00 -0.22 0.00 0.00 54.13 54.46 1thf s LEU 222 Cb -0.14 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.35 1thf s LEU 222 CO -0.10 0.38 0.20 0.00 -1.32 0.00 0.00 176.35 175.50 1thf s ALA 223 N -1.00 -0.48 -0.03 5.97 0.00 -0.80 -4.20 121.76 121.22 1thf s ALA 223 Ca 0.17 0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 1thf s ALA 223 Cb -0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1thf s ALA 223 CO 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 175.76 175.61 1thf n ALA 224 N 2.54 1.55 -0.15 0.00 0.00 -1.26 -0.80 120.51 122.39 1thf n ALA 224 Ca -0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 52.98 1thf n ALA 224 Cb 0.58 0.06 0.06 0.00 0.00 0.00 0.00 19.45 20.15 1thf n ALA 224 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1thf h SER 225 N -0.26 -0.08 0.32 0.00 0.02 -1.89 -0.10 113.55 111.57 1thf h SER 225 Ca 0.00 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1thf h SER 225 Cb 0.26 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1thf h SER 225 CO 0.00 -0.01 -0.15 -0.37 -1.14 0.00 0.00 176.83 175.16 1thf h VAL 226 N 0.19 0.74 0.13 2.27 -1.51 -1.89 0.30 116.25 116.48 1thf h VAL 226 Ca 0.25 -0.59 -0.35 0.00 -1.23 0.00 0.00 66.70 64.77 1thf h VAL 226 Cb 0.35 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1thf h VAL 226 CO -0.35 0.15 -1.88 -0.26 -1.23 0.00 0.00 177.57 173.99 1thf h PHE 227 N 0.00 0.49 -0.64 5.19 0.04 -1.73 0.86 116.94 121.15 1thf h PHE 227 Ca -0.00 -0.36 -0.03 0.00 2.80 0.00 0.00 57.97 60.38 1thf h PHE 227 Cb 0.35 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 1thf h PHE 227 CO 0.00 1.74 0.30 1.25 -0.60 0.00 0.00 178.31 181.00 1thf h HIS 228 N -0.01 0.93 -0.38 -0.55 2.76 -0.76 -2.09 115.15 115.04 1thf h HIS 228 Ca -0.40 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1thf h HIS 228 Cb 1.99 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 30.66 1thf h HIS 228 CO 0.09 0.70 0.00 1.19 -1.30 0.00 0.00 177.93 178.61 1thf n PHE 229 N -4.48 0.51 -3.82 5.26 3.72 0.07 -4.69 117.46 114.03 1thf n PHE 229 Ca 0.04 -0.25 -0.27 0.00 -0.05 0.00 0.00 57.45 56.92 1thf n PHE 229 Cb 0.13 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1thf n PHE 229 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1thf n ARG 230 N 0.80 -2.74 0.02 -1.08 1.74 -0.79 -4.91 116.66 109.71 1thf n ARG 230 Ca 0.16 0.45 0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1thf n ARG 230 Cb 0.40 -4.44 -0.10 0.00 -1.02 0.00 0.00 32.46 27.30 1thf n ARG 230 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1thf n GLU 231 N -4.32 0.53 -4.06 5.56 1.02 0.28 -4.92 120.64 114.73 1thf n GLU 231 Ca -0.23 -0.08 -0.16 0.00 -0.02 0.00 0.00 57.16 56.66 1thf n GLU 231 Cb 0.65 -1.60 -0.15 0.00 -0.02 0.00 0.00 31.44 30.32 1thf n GLU 231 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1thf s ILE 232 N -3.39 0.32 -0.09 -3.67 1.01 -1.17 -5.02 121.20 109.19 1thf s ILE 232 Ca -0.03 -0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 1thf s ILE 232 Cb 0.13 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.25 1thf s ILE 232 CO 0.86 0.13 0.69 -0.62 0.00 0.00 0.00 174.94 176.01 1thf s ASP 233 N 0.38 6.94 0.12 3.58 2.15 -1.26 -4.81 116.67 123.76 1thf s ASP 233 Ca -0.04 1.13 -0.18 0.00 0.43 0.00 0.00 52.55 53.89 1thf s ASP 233 Cb -0.07 -2.40 -0.05 0.00 -0.30 0.00 0.00 42.92 40.10 1thf s ASP 233 CO -0.01 -0.15 1.70 0.58 -0.17 0.00 0.00 175.17 177.12 1thf h VAL 234 N 4.84 1.14 -0.51 1.11 2.07 -1.99 -0.71 116.25 122.19 1thf h VAL 234 Ca -0.39 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1thf h VAL 234 Cb 1.18 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1thf h VAL 234 CO 0.76 0.14 0.15 -0.09 0.02 0.00 0.00 177.57 178.55 1thf h ARG 235 N 0.32 0.80 -0.47 1.57 2.43 -1.95 -0.90 114.38 116.18 1thf h ARG 235 Ca 0.09 -0.18 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1thf h ARG 235 Cb 0.10 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1thf h ARG 235 CO -0.01 0.75 0.19 1.49 -1.51 0.00 0.00 179.97 180.87 1thf h GLU 236 N 0.70 0.37 -0.07 0.20 4.81 -1.94 -0.04 114.58 118.60 1thf h GLU 236 Ca 0.16 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1thf h GLU 236 Cb 0.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1thf h GLU 236 CO -0.00 0.24 0.01 1.25 -0.73 0.00 0.00 179.01 179.78 1thf h LEU 237 N 0.38 0.00 -0.81 1.64 5.85 -0.80 -1.61 115.31 119.96 1thf h LEU 237 Ca 0.22 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1thf h LEU 237 Cb 0.19 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1thf h LEU 237 CO -0.20 0.01 0.33 0.11 -0.34 0.00 0.00 178.44 178.36 1thf h LYS 238 N 0.05 1.21 -0.73 1.25 1.57 -0.69 -1.16 116.57 118.06 1thf h LYS 238 Ca 0.03 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1thf h LYS 238 Cb 0.02 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1thf h LYS 238 CO -0.04 0.97 0.25 0.93 -0.57 0.00 0.00 179.45 180.98 1thf h GLU 239 N 1.18 1.11 -0.49 3.15 4.39 -0.84 -0.82 114.58 122.26 1thf h GLU 239 Ca 0.27 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1thf h GLU 239 Cb 0.21 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1thf h GLU 239 CO -0.02 0.93 0.16 -0.92 -1.16 0.00 0.00 179.01 177.99 1thf h TYR 240 N 1.07 0.78 -0.53 4.33 3.20 -1.02 -2.04 116.97 122.76 1thf h TYR 240 Ca 0.24 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1thf h TYR 240 Cb 0.27 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1thf h TYR 240 CO 0.02 0.68 0.16 -0.07 -1.64 0.00 0.00 178.16 177.31 1thf h LEU 241 N 0.65 0.78 -1.06 2.82 3.38 -0.97 -2.51 115.31 118.40 1thf h LEU 241 Ca 0.16 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1thf h LEU 241 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1thf h LEU 241 CO -0.01 0.78 -0.11 0.50 0.09 0.00 0.00 178.44 179.69 1thf h LYS 242 N 0.73 0.54 0.00 1.13 1.63 -1.08 -1.24 116.57 118.28 1thf h LYS 242 Ca 0.17 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1thf h LYS 242 Cb 0.29 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 1thf h LYS 242 CO -0.00 0.65 -0.17 -0.22 -3.45 0.00 0.00 179.45 176.25 1thf h LYS 243 N 0.50 0.00 -0.69 1.90 3.64 -1.15 -2.05 116.57 118.72 1thf h LYS 243 Ca 0.09 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1thf h LYS 243 Cb 0.50 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 1thf h LYS 243 CO 0.03 0.17 0.12 0.72 -2.27 0.00 0.00 179.45 178.22 1thf n HIS 244 N -4.04 2.13 -0.99 1.91 8.25 -0.71 -4.94 115.22 116.84 1thf n HIS 244 Ca -0.02 -0.89 0.00 0.00 -0.26 0.00 0.00 57.72 56.55 1thf n HIS 244 Cb 0.25 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1thf n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1thf n GLY 245 N 0.27 0.58 3.72 -1.41 0.00 -0.77 -5.04 105.19 102.54 1thf n GLY 245 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 1thf n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1thf s VAL 246 N -2.38 4.96 -1.31 1.61 1.01 -0.55 -4.95 120.40 118.78 1thf s VAL 246 Ca 0.00 1.68 -0.13 0.00 0.00 0.00 0.00 61.98 63.52 1thf s VAL 246 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1thf s VAL 246 CO 0.00 0.23 2.36 -3.20 0.00 0.00 0.00 175.10 174.49 1thf n ASN 247 N 3.73 5.07 -4.91 3.32 4.05 -1.26 -3.85 115.26 121.42 1thf n ASN 247 Ca 0.01 -2.67 -0.28 0.00 0.45 0.00 0.00 54.58 52.09 1thf n ASN 247 Cb 0.51 -1.46 -0.02 0.00 1.23 0.00 0.00 39.78 40.04 1thf n ASN 247 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1thf s VAL 248 N 3.27 4.95 -0.22 3.44 -7.23 -1.26 -1.13 120.40 122.21 1thf s VAL 248 Ca 0.54 0.14 -0.21 0.00 -1.81 0.00 0.00 61.98 60.64 1thf s VAL 248 Cb 0.15 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 1thf s VAL 248 CO -0.04 -0.60 0.67 -0.60 -0.31 0.00 0.00 175.10 174.23 1thf s ARG 249 N -4.18 4.17 -0.00 4.82 3.52 -1.26 -4.93 118.95 121.10 1thf s ARG 249 Ca 0.46 0.66 0.21 0.00 -0.13 0.00 0.00 55.73 56.93 1thf s ARG 249 Cb -0.10 -3.62 -0.21 0.00 -1.56 0.00 0.00 34.95 29.46 1thf s ARG 249 CO 0.37 -0.35 0.89 1.28 -0.81 0.00 0.00 175.30 176.68 1thf n LEU 250 N 5.46 0.92 -4.66 -0.88 4.77 -1.26 -4.97 117.00 116.38 1thf n LEU 250 Ca 0.00 -0.45 -0.47 0.00 -0.03 0.00 0.00 56.01 55.07 1thf n LEU 250 Cb 0.49 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1thf n LEU 250 CO 0.44 0.23 1.18 -0.62 -1.33 0.00 0.00 177.39 177.29 1thf n GLU 251 N -1.55 2.05 -0.08 3.23 1.02 -1.26 -2.44 120.64 121.61 1thf n GLU 251 Ca 0.04 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1thf n GLU 251 Cb 0.35 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 1thf n GLU 251 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1thf n GLY 252 N 3.39 1.28 0.00 0.62 0.00 -1.26 -5.02 105.19 104.20 1thf n GLY 252 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1thf n GLY 252 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36