#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgf n GLN 27 N 0.00 0.35 0.26 -1.46 1.13 -1.26 -5.01 117.38 111.38 1sgf n GLN 27 Ca 0.00 -3.16 0.13 0.00 -1.94 0.00 0.00 57.00 52.03 1sgf n GLN 27 Cb 0.00 -1.53 0.80 0.00 0.11 0.00 0.00 30.24 29.62 1sgf n GLN 27 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1sgf h PRO 28 N 5.11 0.00 0.00 -1.09 0.11 -1.84 -2.77 132.00 131.52 1sgf h PRO 28 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1sgf h PRO 28 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1sgf h PRO 28 CO 0.39 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.29 1sgf h TRP 29 N 0.00 0.00 -2.75 0.65 0.09 -1.75 -3.13 115.95 109.06 1sgf h TRP 29 Ca 0.02 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.48 1sgf h TRP 29 Cb 0.12 0.00 0.04 0.00 0.08 0.00 0.00 29.16 29.39 1sgf h TRP 29 CO 0.00 0.00 0.94 -1.58 0.09 0.00 0.00 178.44 177.89 1sgf s HIS 30 N -3.27 2.77 0.17 0.12 2.46 -1.05 -0.62 115.29 115.87 1sgf s HIS 30 Ca 0.07 0.46 0.07 0.00 0.47 0.00 0.00 55.06 56.12 1sgf s HIS 30 Cb 0.10 -3.97 -0.04 0.00 -0.13 0.00 0.00 32.58 28.54 1sgf s HIS 30 CO 0.53 -3.72 -0.14 0.54 -2.47 0.00 0.00 174.74 169.48 1sgf s VAL 31 N 1.79 1.52 -0.14 0.89 0.11 -0.89 -4.16 120.40 119.51 1sgf s VAL 31 Ca 0.72 -2.04 0.01 0.00 -2.93 0.00 0.00 61.98 57.74 1sgf s VAL 31 Cb -0.43 -1.87 -0.00 0.00 -1.53 0.00 0.00 36.38 32.55 1sgf s VAL 31 CO 0.32 -0.57 -0.16 0.00 -3.33 0.00 0.00 175.10 171.36 1sgf s ALA 32 N -2.80 2.48 -0.52 1.54 0.00 -0.67 -1.71 121.76 120.07 1sgf s ALA 32 Ca 0.18 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1sgf s ALA 32 Cb -0.01 -1.16 0.10 0.00 0.00 0.00 0.00 23.12 22.05 1sgf s ALA 32 CO 0.04 0.08 0.48 0.08 0.00 0.00 0.00 175.76 176.45 1sgf s VAL 33 N 0.63 5.17 -0.63 0.00 1.01 0.78 -0.68 120.40 126.69 1sgf s VAL 33 Ca -0.09 -1.25 -0.27 0.00 0.00 0.00 0.00 61.98 60.37 1sgf s VAL 33 Cb -0.16 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 31.97 1sgf s VAL 33 CO 0.03 -0.78 1.42 -0.47 0.00 0.00 0.00 175.10 175.30 1sgf s TYR 34 N 1.75 2.22 0.10 5.22 5.04 0.21 -2.71 117.35 129.18 1sgf s TYR 34 Ca 0.05 0.34 -0.21 0.00 -2.44 0.00 0.00 57.07 54.81 1sgf s TYR 34 Cb -0.27 -4.44 -0.07 0.00 0.35 0.00 0.00 41.96 37.53 1sgf s TYR 34 CO 0.05 -2.03 0.62 1.03 -1.34 0.00 0.00 175.55 173.88 1sgf s ARG 35 N 5.76 4.29 0.03 4.97 0.52 -1.26 -2.14 118.95 131.12 1sgf s ARG 35 Ca 0.48 0.84 -0.23 0.00 -0.52 0.00 0.00 55.73 56.31 1sgf s ARG 35 Cb -0.10 -3.24 -0.13 0.00 0.52 0.00 0.00 34.95 32.00 1sgf s ARG 35 CO 0.21 0.62 1.29 0.74 0.02 0.00 0.00 175.30 178.18 1sgf h PHE 36 N 4.48 -0.76 -1.16 -0.53 -1.00 -1.94 -3.37 116.94 112.66 1sgf h PHE 36 Ca -0.49 -0.02 -0.55 0.00 2.81 0.00 0.00 57.97 59.72 1sgf h PHE 36 Cb 1.21 0.25 -0.42 0.00 3.61 0.00 0.00 35.95 40.60 1sgf h PHE 36 CO 0.67 -0.48 -0.80 0.09 -1.61 0.00 0.00 178.31 176.18 1sgf n ASN 38 N -4.31 4.53 -3.89 2.17 3.02 -1.26 -5.01 115.26 110.50 1sgf n ASN 38 Ca -0.10 -3.63 -0.08 0.00 -0.03 0.00 0.00 54.58 50.75 1sgf n ASN 38 Cb 0.32 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 1sgf n ASN 38 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1sgf s LYS 39 N -3.55 1.73 0.45 3.52 2.47 -1.26 -5.15 119.74 117.95 1sgf s LYS 39 Ca 0.47 -1.06 -0.23 0.00 -1.56 0.00 0.00 55.97 53.60 1sgf s LYS 39 Cb 0.40 0.58 -0.10 0.00 -1.46 0.00 0.00 37.83 37.25 1sgf s LYS 39 CO -0.09 -0.78 0.89 2.48 0.16 0.00 0.00 175.35 178.01 1sgf n TYR 40 N -0.44 0.70 -1.16 4.03 4.11 -1.26 -4.63 117.16 118.51 1sgf n TYR 40 Ca -0.03 0.55 -0.31 0.00 -0.00 0.00 0.00 57.90 58.11 1sgf n TYR 40 Cb 0.60 -2.15 0.11 0.00 -0.00 0.00 0.00 39.34 37.90 1sgf n TYR 40 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.86 175.72 1sgf s GLN 41 N -2.02 1.83 0.06 -3.48 0.74 -1.26 -4.61 119.66 110.91 1sgf s GLN 41 Ca 0.65 1.15 0.01 0.00 0.05 0.00 0.00 55.36 57.21 1sgf s GLN 41 Cb -0.54 -1.85 -0.03 0.00 1.10 0.00 0.00 33.01 31.68 1sgf s GLN 41 CO 0.56 -1.94 -0.05 0.00 -0.55 0.00 0.00 175.29 173.31 1sgf n GLY 43 N 0.58 2.33 3.84 0.00 0.00 0.93 -0.16 105.19 112.71 1sgf n GLY 43 Ca -0.17 -2.22 -0.01 0.00 0.00 0.00 0.00 46.02 43.63 1sgf n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgf s GLY 44 N -3.53 -0.12 0.07 -0.02 0.00 -0.69 -4.06 107.32 98.97 1sgf s GLY 44 Ca 0.31 0.05 0.10 0.00 0.00 0.00 0.00 44.72 45.18 1sgf s GLY 44 CO 0.20 2.48 -0.26 0.14 0.00 0.00 0.00 173.10 175.65 1sgf s VAL 45 N -2.34 2.14 -0.19 1.40 1.01 -0.17 -2.09 120.40 120.16 1sgf s VAL 45 Ca 0.21 -1.47 -0.18 0.00 0.00 0.00 0.00 61.98 60.54 1sgf s VAL 45 Cb -0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1sgf s VAL 45 CO 0.01 0.29 0.49 -0.22 0.00 0.00 0.00 175.10 175.67 1sgf s LEU 46 N -1.44 4.16 -0.19 3.92 2.96 0.21 -0.59 118.68 127.71 1sgf s LEU 46 Ca 0.12 0.66 0.06 0.00 -0.22 0.00 0.00 54.13 54.75 1sgf s LEU 46 Cb -0.10 -2.66 -0.16 0.00 0.50 0.00 0.00 46.19 43.76 1sgf s LEU 46 CO 0.03 -0.14 -0.10 0.18 -1.32 0.00 0.00 176.35 175.01 1sgf n LEU 47 N 4.58 1.89 -3.84 -0.68 4.77 -0.68 -2.13 117.00 120.91 1sgf n LEU 47 Ca -0.06 -0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1sgf n LEU 47 Cb 0.51 -0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1sgf n LEU 47 CO 0.42 0.69 -0.09 -0.62 -1.33 0.00 0.00 177.39 176.46 1sgf s ASP 48 N -5.68 0.01 0.63 -1.43 2.15 -1.18 -4.31 116.67 106.85 1sgf s ASP 48 Ca -0.21 -0.33 0.20 0.00 0.43 0.00 0.00 52.55 52.64 1sgf s ASP 48 Cb 0.06 0.29 0.86 0.00 -0.30 0.00 0.00 42.92 43.84 1sgf s ASP 48 CO 0.56 -0.55 1.41 0.03 -0.17 0.00 0.00 175.17 176.45 1sgf h ARG 49 N 3.51 0.00 0.00 4.34 3.08 -1.96 -0.52 114.38 122.82 1sgf h ARG 49 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1sgf h ARG 49 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1sgf h ARG 49 CO 0.47 0.00 -1.16 0.09 -1.07 0.00 0.00 179.97 178.30 1sgf n ASN 50 N -3.08 1.74 -4.46 7.04 3.02 -1.26 -0.42 115.26 117.85 1sgf n ASN 50 Ca 0.11 -0.27 -0.29 0.00 -0.03 0.00 0.00 54.58 54.10 1sgf n ASN 50 Cb 1.08 1.33 -0.12 0.00 -0.61 0.00 0.00 39.78 41.47 1sgf n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1sgf s TRP 51 N -2.52 2.46 -0.03 3.10 0.52 -0.21 -2.66 118.94 119.61 1sgf s TRP 51 Ca -0.01 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 55.85 1sgf s TRP 51 Cb 0.08 -1.31 -0.01 0.00 -1.15 0.00 0.00 33.47 31.08 1sgf s TRP 51 CO 0.46 0.37 -0.16 0.08 0.02 0.00 0.00 176.95 177.73 1sgf s VAL 52 N -1.13 1.27 -0.26 4.03 1.01 -0.65 -1.69 120.40 122.98 1sgf s VAL 52 Ca 0.17 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1sgf s VAL 52 Cb -0.10 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.24 1sgf s VAL 52 CO 0.09 0.37 -0.08 -0.22 0.00 0.00 0.00 175.10 175.25 1sgf s LEU 53 N -0.14 3.41 0.00 3.92 2.96 0.24 -0.71 118.68 128.36 1sgf s LEU 53 Ca 0.01 -1.22 0.00 0.00 -0.22 0.00 0.00 54.13 52.70 1sgf s LEU 53 Cb -0.09 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1sgf s LEU 53 CO 0.01 -0.18 0.00 1.07 -1.32 0.00 0.00 176.35 175.92 1sgf n THR 54 N 4.53 0.00 -3.68 3.68 5.66 -0.71 -1.00 114.28 122.77 1sgf n THR 54 Ca -0.15 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.59 1sgf n THR 54 Cb 0.44 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.19 1sgf n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sgf s ALA 55 N -2.00 3.82 0.30 1.79 0.00 -1.26 -1.17 121.76 123.24 1sgf s ALA 55 Ca 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1sgf s ALA 55 Cb 0.00 -1.98 0.47 0.00 0.00 0.00 0.00 23.12 21.61 1sgf s ALA 55 CO 0.00 0.34 1.71 0.00 0.00 0.00 0.00 175.76 177.81 1sgf h ALA 56 N 1.72 1.13 0.00 0.00 0.00 -1.76 -2.19 119.26 118.15 1sgf h ALA 56 Ca -0.49 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.01 1sgf h ALA 56 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1sgf h ALA 56 CO 0.66 0.58 0.00 -2.39 0.00 0.00 0.00 179.25 178.11 1sgf n HIS 57 N -4.02 0.00 1.11 0.00 1.44 -1.26 -1.35 115.22 111.14 1sgf n HIS 57 Ca -0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 1sgf n HIS 57 Cb 0.48 -0.15 0.35 0.00 0.12 0.00 0.00 29.99 30.78 1sgf n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sgf n TYR 59 N -1.18 0.46 -3.87 0.00 9.36 -0.46 -5.01 117.16 116.47 1sgf n TYR 59 Ca 0.09 0.85 -0.08 0.00 3.32 0.00 0.00 57.90 62.07 1sgf n TYR 59 Cb 0.33 -2.12 -0.01 0.00 -0.63 0.00 0.00 39.34 36.92 1sgf n TYR 59 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1sgf s ASN 60 N -0.58 -0.13 0.02 2.98 2.47 -1.26 -4.99 114.94 113.45 1sgf s ASN 60 Ca 0.67 -0.82 -0.12 0.00 0.42 0.00 0.00 52.86 53.00 1sgf s ASN 60 Cb -0.88 0.75 -0.33 0.00 -1.45 0.00 0.00 41.25 39.33 1sgf s ASN 60 CO 0.56 -1.42 0.96 -2.24 -3.72 0.00 0.00 177.10 171.24 1sgf h ASP 61 N 2.03 0.71 -3.62 -4.21 2.03 -2.03 -3.45 116.42 107.88 1sgf h ASP 61 Ca -0.24 -0.82 -0.68 0.00 -0.73 0.00 0.00 57.03 54.57 1sgf h ASP 61 Cb 1.25 -0.23 -0.21 0.00 -0.83 0.00 0.00 39.33 39.31 1sgf h ASP 61 CO 0.30 1.65 -0.70 -0.54 -1.03 0.00 0.00 179.24 178.91 1sgf s LYS 63 N -2.61 2.91 0.21 4.15 1.02 -1.26 -5.13 119.74 119.04 1sgf s LYS 63 Ca -0.09 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 55.34 1sgf s LYS 63 Cb 0.05 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1sgf s LYS 63 CO 0.92 0.56 0.04 0.71 -0.92 0.00 0.00 175.35 176.66 1sgf s TYR 64 N -0.53 1.35 -0.30 3.18 2.02 -1.26 -4.09 117.35 117.73 1sgf s TYR 64 Ca 0.08 -1.09 -0.12 0.00 -0.37 0.00 0.00 57.07 55.57 1sgf s TYR 64 Cb -0.12 -0.78 0.13 0.00 -0.40 0.00 0.00 41.96 40.79 1sgf s TYR 64 CO 0.02 -0.26 0.73 -1.14 -1.57 0.00 0.00 175.55 173.33 1sgf s GLN 65 N -3.96 0.53 -0.24 -0.62 0.74 -0.91 -4.43 119.66 110.77 1sgf s GLN 65 Ca 0.30 1.27 -0.07 0.00 0.05 0.00 0.00 55.36 56.91 1sgf s GLN 65 Cb 0.07 0.69 -0.03 0.00 1.10 0.00 0.00 33.01 34.83 1sgf s GLN 65 CO 0.08 -0.17 0.07 0.08 -0.55 0.00 0.00 175.29 174.80 1sgf s VAL 66 N 2.62 4.44 -0.38 1.34 1.01 -0.16 0.68 120.40 129.95 1sgf s VAL 66 Ca -0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1sgf s VAL 66 Cb -0.10 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.26 1sgf s VAL 66 CO -0.19 0.36 0.20 0.26 0.00 0.00 0.00 175.10 175.73 1sgf s TRP 67 N 1.40 3.27 0.02 5.22 0.51 0.15 -1.05 118.94 128.45 1sgf s TRP 67 Ca 0.05 -1.22 -0.05 0.00 -2.12 0.00 0.00 56.10 52.77 1sgf s TRP 67 Cb -0.15 -2.55 -0.05 0.00 -0.81 0.00 0.00 33.47 29.91 1sgf s TRP 67 CO 0.04 -0.72 0.25 -0.51 -0.51 0.00 0.00 176.95 175.50 1sgf s LEU 68 N 1.49 4.36 0.00 2.99 1.43 0.14 -1.68 118.68 127.41 1sgf s LEU 68 Ca 0.01 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 1sgf s LEU 68 Cb -0.20 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1sgf s LEU 68 CO 0.05 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.47 1sgf n GLY 69 N 0.95 -1.83 7.00 -3.19 0.00 -1.26 -1.28 105.19 105.58 1sgf n GLY 69 Ca -0.10 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1sgf n GLY 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sgf n LYS 70 N 0.00 0.00 -2.17 1.61 4.81 -1.26 -4.96 118.16 116.19 1sgf n LYS 70 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1sgf n LYS 70 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1sgf n LYS 70 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1sgf s ASP 77 N -4.00 6.75 0.00 3.14 2.15 -1.26 -4.97 116.67 118.49 1sgf s ASP 77 Ca 0.00 1.99 0.00 0.00 0.43 0.00 0.00 52.55 54.97 1sgf s ASP 77 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1sgf s ASP 77 CO 0.00 -0.88 0.00 0.47 -0.17 0.00 0.00 175.17 174.59 1sgf n ASP 80 N 7.02 0.00 -3.56 -0.34 8.00 -1.26 -5.19 116.55 121.22 1sgf n ASP 80 Ca 0.16 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.53 1sgf n ASP 80 Cb 0.44 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 1sgf n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sgf s GLN 81 N -3.90 0.77 -0.17 -1.24 -0.21 -0.40 -4.98 119.66 109.53 1sgf s GLN 81 Ca 0.00 0.20 -0.07 0.00 0.02 0.00 0.00 55.36 55.51 1sgf s GLN 81 Cb 0.00 0.36 0.07 0.00 1.00 0.00 0.00 33.01 34.44 1sgf s GLN 81 CO 0.00 -0.24 0.38 -3.38 -2.12 0.00 0.00 175.29 169.93 1sgf s HIS 82 N -1.11 -0.63 0.26 0.91 -3.43 -1.26 0.25 115.29 110.28 1sgf s HIS 82 Ca -0.05 1.29 0.06 0.00 -0.80 0.00 0.00 55.06 55.57 1sgf s HIS 82 Cb -0.00 0.22 -0.06 0.00 -1.43 0.00 0.00 32.58 31.31 1sgf s HIS 82 CO 0.05 -0.39 -0.06 1.03 -2.00 0.00 0.00 174.74 173.36 1sgf s ARG 83 N 1.99 1.50 0.16 -0.38 1.81 -0.22 -4.99 118.95 118.82 1sgf s ARG 83 Ca -0.05 -1.75 0.02 0.00 -1.72 0.00 0.00 55.73 52.24 1sgf s ARG 83 Cb -0.10 -1.09 -0.04 0.00 -0.45 0.00 0.00 34.95 33.27 1sgf s ARG 83 CO -0.12 0.04 0.30 -0.51 -0.68 0.00 0.00 175.30 174.33 1sgf s LEU 84 N -3.41 4.33 -0.25 2.53 1.43 -1.26 -0.99 118.68 121.05 1sgf s LEU 84 Ca 0.28 0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 1sgf s LEU 84 Cb 0.03 -2.93 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 1sgf s LEU 84 CO 0.11 0.03 0.16 -0.69 0.23 0.00 0.00 176.35 176.20 1sgf s VAL 85 N -1.77 5.29 -0.14 -1.59 1.01 -1.26 -0.74 120.40 121.19 1sgf s VAL 85 Ca 0.35 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.39 1sgf s VAL 85 Cb -0.11 -3.48 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 1sgf s VAL 85 CO 0.29 0.32 0.31 -1.54 0.00 0.00 0.00 175.10 174.48 1sgf n SER 86 N 4.52 2.07 -4.19 3.32 3.41 0.18 -4.86 113.62 118.06 1sgf n SER 86 Ca -0.15 0.24 -0.36 0.00 -0.26 0.00 0.00 58.87 58.34 1sgf n SER 86 Cb 0.52 -0.87 -0.13 0.00 -0.26 0.00 0.00 64.21 63.47 1sgf n SER 86 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1sgf s LYS 87 N -2.52 2.40 -0.19 4.33 1.02 -1.16 -4.96 119.74 118.66 1sgf s LYS 87 Ca -0.24 -1.36 -0.13 0.00 0.02 0.00 0.00 55.97 54.25 1sgf s LYS 87 Cb 0.07 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1sgf s LYS 87 CO 0.73 -0.74 0.28 0.00 -0.92 0.00 0.00 175.35 174.70 1sgf s ALA 88 N 1.28 3.60 -0.33 5.17 0.00 -1.26 -0.53 121.76 129.68 1sgf s ALA 88 Ca -0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1sgf s ALA 88 Cb -0.20 -2.42 0.13 0.00 0.00 0.00 0.00 23.12 20.62 1sgf s ALA 88 CO -0.00 -0.06 0.20 0.42 0.00 0.00 0.00 175.76 176.32 1sgf s ILE 89 N 0.79 -0.02 0.46 0.00 1.09 -0.54 -5.02 121.20 117.96 1sgf s ILE 89 Ca 0.14 -1.22 -0.13 0.00 -1.10 0.00 0.00 60.65 58.34 1sgf s ILE 89 Cb -0.13 -1.02 -0.07 0.00 -1.06 0.00 0.00 42.46 40.18 1sgf s ILE 89 CO 0.04 -0.83 0.87 -2.84 -0.10 0.00 0.00 174.94 172.09 1sgf s PRO 90 N 1.57 3.86 0.05 2.79 0.02 -1.26 -2.00 135.00 140.04 1sgf s PRO 90 Ca 0.14 0.71 -0.31 0.00 0.02 0.00 0.00 61.00 61.56 1sgf s PRO 90 Cb -0.19 -2.27 -0.07 0.00 0.02 0.00 0.00 34.50 31.98 1sgf s PRO 90 CO -0.16 -0.15 1.56 -1.58 -0.33 0.00 0.00 177.00 176.35 1sgf s HIS 91 N -2.49 2.62 0.50 6.54 2.46 -1.00 -4.86 115.29 119.07 1sgf s HIS 91 Ca 0.55 0.52 0.28 0.00 0.47 0.00 0.00 55.06 56.88 1sgf s HIS 91 Cb -0.10 -3.86 1.38 0.00 -0.13 0.00 0.00 32.58 29.87 1sgf s HIS 91 CO 0.31 -3.34 1.87 -1.35 -2.47 0.00 0.00 174.74 169.76 1sgf h PRO 92 N 8.03 0.11 -0.99 2.88 0.11 -1.93 -2.33 132.00 137.87 1sgf h PRO 92 Ca -0.41 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1sgf h PRO 92 Cb 1.19 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1sgf h PRO 92 CO 0.92 0.07 0.06 -0.25 -0.21 0.00 0.00 178.00 178.59 1sgf n ASP 93 N -4.34 2.87 -4.74 -2.05 9.92 -1.26 -4.85 116.55 112.10 1sgf n ASP 93 Ca 0.20 -2.16 -0.26 0.00 -0.53 0.00 0.00 54.79 52.04 1sgf n ASP 93 Cb 0.93 -0.53 -0.06 0.00 -0.64 0.00 0.00 41.12 40.81 1sgf n ASP 93 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1sgf s PHE 94 N -0.45 3.01 -0.42 1.24 5.36 -0.88 -4.59 117.98 121.24 1sgf s PHE 94 Ca 0.06 -0.08 -0.17 0.00 -0.96 0.00 0.00 56.93 55.78 1sgf s PHE 94 Cb 0.05 -1.44 0.02 0.00 -0.34 0.00 0.00 43.02 41.31 1sgf s PHE 94 CO 0.01 0.52 0.41 1.21 -1.46 0.00 0.00 175.22 175.92 1sgf s ASN 95 N -3.12 6.18 0.50 6.13 3.84 -1.26 -4.94 114.94 122.27 1sgf s ASN 95 Ca 0.30 -0.72 0.27 0.00 0.21 0.00 0.00 52.86 52.92 1sgf s ASN 95 Cb -0.09 -2.21 1.30 0.00 -0.55 0.00 0.00 41.25 39.70 1sgf s ASN 95 CO 0.21 -0.56 2.00 0.24 -2.79 0.00 0.00 177.10 176.20 1sgf h MET 95 N 8.71 0.00 -2.47 0.43 2.86 -1.98 -3.33 114.93 119.16 1sgf h MET 95 Ca -0.26 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 1sgf h MET 95 Cb 1.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 1sgf h MET 95 CO 0.79 0.15 0.15 -1.13 1.06 0.00 0.00 176.91 177.92 1sgf n SER 95 N -3.52 1.69 -0.95 1.22 3.41 -1.26 -4.75 113.62 109.46 1sgf n SER 95 Ca -0.01 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 1sgf n SER 95 Cb 0.30 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1sgf n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1sgf n LEU 95 N 2.53 0.00 -2.53 1.04 4.77 -1.25 -4.90 117.00 116.65 1sgf n LEU 95 Ca 0.09 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1sgf n LEU 95 Cb 0.25 -1.43 -0.02 0.00 -2.33 0.00 0.00 43.42 39.90 1sgf n LEU 95 CO 0.14 0.00 -0.38 0.59 -1.33 0.00 0.00 177.39 176.42 1sgf n ASN 95 N -0.95 -4.39 -3.72 -1.43 3.02 -1.26 -4.71 115.26 101.82 1sgf n ASN 95 Ca 0.00 1.37 -0.24 0.00 -0.03 0.00 0.00 54.58 55.68 1sgf n ASN 95 Cb 0.00 -3.89 0.04 0.00 -0.61 0.00 0.00 39.78 35.33 1sgf n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sgf n GLU 95 N 1.98 -5.59 -2.79 3.52 -0.58 -1.26 -5.03 120.64 110.88 1sgf n GLU 95 Ca -0.15 0.66 -0.30 0.00 -0.42 0.00 0.00 57.16 56.95 1sgf n GLU 95 Cb 0.23 -5.41 -0.03 0.00 -0.57 0.00 0.00 31.44 25.66 1sgf n GLU 95 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1sgf s HIS 95 N -3.50 3.48 -0.40 -0.32 3.76 -1.26 -4.99 115.29 112.07 1sgf s HIS 95 Ca 0.24 1.05 -0.29 0.00 -0.15 0.00 0.00 55.06 55.91 1sgf s HIS 95 Cb -0.12 -2.45 0.02 0.00 1.11 0.00 0.00 32.58 31.14 1sgf s HIS 95 CO 0.80 -0.15 1.15 0.99 -0.85 0.00 0.00 174.74 176.68 1sgf s THR 95 N -2.43 4.30 -0.78 1.30 2.01 -1.26 -4.89 115.64 113.88 1sgf s THR 95 Ca 0.51 1.41 -0.13 0.00 0.31 0.00 0.00 61.69 63.80 1sgf s THR 95 Cb -0.10 -4.47 -0.23 0.00 0.01 0.00 0.00 72.50 67.71 1sgf s THR 95 CO 0.33 -0.74 2.00 -2.65 -0.69 0.00 0.00 174.62 172.87 1sgf n PRO 95 N 7.43 0.13 -4.04 4.92 -0.02 -1.26 -4.95 135.00 137.21 1sgf n PRO 95 Ca 0.13 -0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 60.94 1sgf n PRO 95 Cb 0.48 -1.82 -0.07 0.00 -0.02 0.00 0.00 33.50 32.07 1sgf n PRO 95 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sgf s GLN 95 N 7.19 3.24 0.00 -0.52 -0.21 -1.26 -5.01 119.66 123.10 1sgf s GLN 95 Ca 0.96 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 56.02 1sgf s GLN 95 Cb -0.48 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.53 1sgf s GLN 95 CO 0.33 0.71 0.25 -2.30 -2.12 0.00 0.00 175.29 172.16 1sgf n PRO 95 N 1.56 0.47 -0.05 2.91 -0.02 -1.25 -3.17 135.00 135.45 1sgf n PRO 95 Ca -0.16 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.39 1sgf n PRO 95 Cb 0.54 -1.24 0.09 0.00 -0.02 0.00 0.00 33.50 32.87 1sgf n PRO 95 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1sgf n GLU 96 N 0.29 1.86 -2.92 -0.52 1.02 -1.26 -3.89 120.64 115.23 1sgf n GLU 96 Ca 0.00 -2.22 -0.41 0.00 -0.02 0.00 0.00 57.16 54.51 1sgf n GLU 96 Cb 0.12 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1sgf n GLU 96 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sgf s ASP 97 N -2.25 6.93 -1.00 1.62 1.11 -1.19 -4.83 116.67 117.06 1sgf s ASP 97 Ca 0.21 1.14 -0.14 0.00 0.18 0.00 0.00 52.55 53.94 1sgf s ASP 97 Cb 0.19 -2.44 0.20 0.00 1.07 0.00 0.00 42.92 41.94 1sgf s ASP 97 CO 0.02 -0.38 1.07 -0.62 1.18 0.00 0.00 175.17 176.45 1sgf s ASP 98 N 1.15 6.92 0.00 0.27 2.15 -1.26 -2.16 116.67 123.74 1sgf s ASP 98 Ca 0.37 -2.80 0.02 0.00 0.43 0.00 0.00 52.55 50.58 1sgf s ASP 98 Cb -0.17 -2.30 0.14 0.00 -0.30 0.00 0.00 42.92 40.30 1sgf s ASP 98 CO 0.12 -0.67 0.71 -1.22 -0.17 0.00 0.00 175.17 173.95 1sgf n TYR 99 N 4.66 0.00 -1.66 -5.34 4.01 -1.26 -4.70 117.16 112.88 1sgf n TYR 99 Ca 0.23 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.54 1sgf n TYR 99 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.47 1sgf n TYR 99 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1sgf n SER 100 N -0.56 2.17 0.00 7.72 7.64 -1.26 -2.22 113.62 127.12 1sgf n SER 100 Ca 0.02 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1sgf n SER 100 Cb 0.01 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 1sgf n SER 100 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sgf n ASN 101 N 0.93 -1.62 -4.55 6.43 3.02 -1.26 -4.51 115.26 113.70 1sgf n ASN 101 Ca 0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.25 1sgf n ASN 101 Cb 0.35 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 1sgf n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sgf s ASP 102 N -2.98 5.55 -0.07 6.41 -1.08 -0.94 -4.52 116.67 119.04 1sgf s ASP 102 Ca 0.00 -0.28 -0.31 0.00 -0.52 0.00 0.00 52.55 51.44 1sgf s ASP 102 Cb 0.00 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 38.99 1sgf s ASP 102 CO 0.00 -2.27 0.70 -0.22 0.52 0.00 0.00 175.17 173.90 1sgf s LEU 103 N 8.22 -0.65 -0.17 -1.34 2.96 -1.26 -4.38 118.68 122.06 1sgf s LEU 103 Ca 0.59 0.75 -0.24 0.00 -0.22 0.00 0.00 54.13 55.01 1sgf s LEU 103 Cb -0.09 2.49 0.06 0.00 0.50 0.00 0.00 46.19 49.15 1sgf s LEU 103 CO 0.10 -0.57 0.63 -0.32 -1.32 0.00 0.00 176.35 174.87 1sgf s MET 104 N -1.08 0.83 -0.10 1.98 -2.45 -0.31 -2.36 119.30 115.80 1sgf s MET 104 Ca -0.10 0.63 0.02 0.00 -1.25 0.00 0.00 55.69 55.00 1sgf s MET 104 Cb -0.00 0.40 -0.01 0.00 1.25 0.00 0.00 34.83 36.46 1sgf s MET 104 CO 0.09 -0.16 -0.18 -0.51 1.05 0.00 0.00 175.02 175.31 1sgf s LEU 105 N -0.21 2.47 -0.08 4.11 1.43 -0.84 -1.74 118.68 123.82 1sgf s LEU 105 Ca -0.04 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1sgf s LEU 105 Cb -0.03 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1sgf s LEU 105 CO 0.04 0.20 -0.19 -0.76 0.23 0.00 0.00 176.35 175.87 1sgf s LEU 106 N 0.12 2.39 -0.14 1.79 1.02 0.11 -1.46 118.68 122.50 1sgf s LEU 106 Ca -0.09 -0.41 -0.04 0.00 0.02 0.00 0.00 54.13 53.62 1sgf s LEU 106 Cb -0.15 -1.48 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 1sgf s LEU 106 CO 0.05 0.23 0.01 -0.60 0.02 0.00 0.00 176.35 176.06 1sgf s ARG 107 N -0.04 3.53 0.21 1.70 3.52 0.31 -1.64 118.95 126.53 1sgf s ARG 107 Ca -0.05 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.82 1sgf s ARG 107 Cb -0.14 -2.96 -0.08 0.00 -1.56 0.00 0.00 34.95 30.20 1sgf s ARG 107 CO 0.04 0.41 0.95 -0.51 -0.81 0.00 0.00 175.30 175.39 1sgf s LEU 108 N -0.07 4.61 0.57 -0.88 1.43 -1.09 -0.65 118.68 122.60 1sgf s LEU 108 Ca 0.04 1.92 0.35 0.00 -1.03 0.00 0.00 54.13 55.41 1sgf s LEU 108 Cb -0.13 -3.60 1.67 0.00 0.03 0.00 0.00 46.19 44.16 1sgf s LEU 108 CO 0.02 0.08 2.11 0.77 0.23 0.00 0.00 176.35 179.57 1sgf h SER 109 N 4.52 0.00 -3.79 2.29 4.64 -1.28 -3.42 113.55 116.51 1sgf h SER 109 Ca -0.44 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 1sgf h SER 109 Cb 1.20 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.03 1sgf h SER 109 CO 0.69 0.05 -0.56 -0.54 -0.87 0.00 0.00 176.83 175.60 1sgf s LYS 110 N -3.95 0.16 0.77 4.77 1.02 -1.26 -5.04 119.74 116.21 1sgf s LYS 110 Ca -0.02 0.18 -0.15 0.00 0.02 0.00 0.00 55.97 56.01 1sgf s LYS 110 Cb 0.11 0.08 0.05 0.00 -0.52 0.00 0.00 37.83 37.56 1sgf s LYS 110 CO 0.52 -0.02 1.18 -2.30 -0.92 0.00 0.00 175.35 173.81 1sgf n PRO 111 N 2.99 0.42 -3.21 -1.68 -0.02 -1.26 -4.96 135.00 127.28 1sgf n PRO 111 Ca -0.12 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 1sgf n PRO 111 Cb 0.59 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1sgf n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sgf s ALA 112 N -1.93 3.49 0.09 3.55 0.00 0.45 -5.02 121.76 122.39 1sgf s ALA 112 Ca 0.75 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1sgf s ALA 112 Cb -0.32 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1sgf s ALA 112 CO 0.49 0.18 0.95 -0.51 0.00 0.00 0.00 175.76 176.87 1sgf s ASP 113 N -0.25 7.47 -0.00 0.00 1.01 -1.26 -4.84 116.67 118.79 1sgf s ASP 113 Ca 0.31 1.76 -0.27 0.00 0.71 0.00 0.00 52.55 55.05 1sgf s ASP 113 Cb -0.18 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1sgf s ASP 113 CO 0.17 -0.08 0.86 -0.63 0.21 0.00 0.00 175.17 175.70 1sgf s ILE 114 N 0.10 4.87 0.21 0.77 1.01 -1.26 -4.77 121.20 122.13 1sgf s ILE 114 Ca 0.47 1.81 -0.00 0.00 0.00 0.00 0.00 60.65 62.92 1sgf s ILE 114 Cb -0.23 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1sgf s ILE 114 CO 0.29 0.23 0.12 0.42 0.00 0.00 0.00 174.94 176.00 1sgf s THR 115 N 0.69 0.14 -2.00 2.92 -4.23 -0.89 -4.95 115.64 107.31 1sgf s THR 115 Ca 0.45 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1sgf s THR 115 Cb -0.20 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.14 1sgf s THR 115 CO 0.24 -0.02 0.48 0.47 -0.54 0.00 0.00 174.62 175.25 1sgf n ASP 116 N -0.31 0.00 0.00 3.99 8.00 -1.26 -1.78 116.55 125.20 1sgf n ASP 116 Ca 0.01 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1sgf n ASP 116 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1sgf n ASP 116 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1sgf n VAL 117 N -0.96 0.00 -4.03 2.53 0.31 -1.26 -4.95 118.33 109.96 1sgf n VAL 117 Ca 0.00 -0.14 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 1sgf n VAL 117 Cb 0.00 0.61 -0.15 0.00 -0.91 0.00 0.00 33.84 33.39 1sgf n VAL 117 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1sgf s VAL 118 N -1.44 2.00 -0.04 2.52 1.01 -0.73 -4.35 120.40 119.36 1sgf s VAL 118 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 1sgf s VAL 118 Cb 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1sgf s VAL 118 CO 0.00 -0.07 0.13 -0.54 0.00 0.00 0.00 175.10 174.62 1sgf s LYS 119 N 1.17 0.17 0.44 2.72 1.02 -1.18 -2.10 119.74 121.98 1sgf s LYS 119 Ca -0.07 0.14 -0.07 0.00 0.02 0.00 0.00 55.97 55.98 1sgf s LYS 119 Cb -0.20 0.08 0.11 0.00 -0.52 0.00 0.00 37.83 37.30 1sgf s LYS 119 CO -0.05 -0.02 0.48 -2.30 -0.92 0.00 0.00 175.35 172.54 1sgf n PRO 120 N 2.92 -1.19 -3.78 -1.68 -0.02 -1.26 -2.33 135.00 127.65 1sgf n PRO 120 Ca -0.13 -0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 60.46 1sgf n PRO 120 Cb 0.59 -0.60 -0.10 0.00 -0.02 0.00 0.00 33.50 33.37 1sgf n PRO 120 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1sgf s ILE 121 N -1.98 0.03 0.38 4.25 2.07 -0.90 -4.74 121.20 120.31 1sgf s ILE 121 Ca 0.29 -0.25 -0.18 0.00 -1.41 0.00 0.00 60.65 59.11 1sgf s ILE 121 Cb -0.02 -0.48 -0.10 0.00 0.13 0.00 0.00 42.46 42.00 1sgf s ILE 121 CO 0.21 -0.14 0.84 0.42 -1.91 0.00 0.00 174.94 174.37 1sgf s THR 122 N -0.53 4.54 1.02 4.00 -4.23 -1.26 -4.58 115.64 114.59 1sgf s THR 122 Ca -0.06 1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 61.53 1sgf s THR 122 Cb -0.04 -3.61 0.20 0.00 1.34 0.00 0.00 72.50 70.40 1sgf s THR 122 CO 0.02 -0.26 1.07 -0.76 -0.54 0.00 0.00 174.62 174.15 1sgf s LEU 123 N -3.11 1.66 0.66 4.79 2.01 -1.26 -4.39 118.68 119.04 1sgf s LEU 123 Ca 0.58 1.54 -0.13 0.00 0.01 0.00 0.00 54.13 56.12 1sgf s LEU 123 Cb -0.10 -3.71 -0.00 0.00 0.01 0.00 0.00 46.19 42.39 1sgf s LEU 123 CO 0.16 -3.40 1.07 -2.84 1.01 0.00 0.00 176.35 172.35 1sgf s PRO 124 N -4.72 2.94 0.00 1.29 0.02 -1.26 -4.86 135.00 128.41 1sgf s PRO 124 Ca 0.66 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.85 1sgf s PRO 124 Cb -0.21 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1sgf s PRO 124 CO 0.60 -1.11 0.00 0.25 -0.33 0.00 0.00 177.00 176.41 1sgf n THR 125 N -2.65 0.00 -3.74 0.99 -2.24 -1.26 -4.98 114.28 100.40 1sgf n THR 125 Ca 0.09 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.61 1sgf n THR 125 Cb 0.53 -1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 1sgf n THR 125 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1sgf s GLU 128 N -1.95 3.49 0.56 -0.78 -1.05 -1.26 -5.09 118.70 112.62 1sgf s GLU 128 Ca 0.00 -0.46 -0.18 0.00 -0.15 0.00 0.00 54.97 54.18 1sgf s GLU 128 Cb 0.00 -2.84 -0.05 0.00 -0.44 0.00 0.00 34.13 30.80 1sgf s GLU 128 CO 0.00 0.39 1.10 -1.21 0.95 0.00 0.00 175.26 176.49 1sgf s GLU 129 N -3.56 3.31 0.20 -4.83 0.41 -1.26 -5.01 118.70 107.96 1sgf s GLU 129 Ca 0.37 1.48 -0.30 0.00 -0.41 0.00 0.00 54.97 56.11 1sgf s GLU 129 Cb -0.10 -2.01 -0.08 0.00 -1.78 0.00 0.00 34.13 30.15 1sgf s GLU 129 CO 0.30 -0.86 0.99 -2.14 -0.49 0.00 0.00 175.26 173.06 1sgf s PRO 130 N -3.53 4.75 0.00 0.39 0.02 -1.26 -5.04 135.00 130.33 1sgf s PRO 130 Ca 0.70 1.56 -0.16 0.00 0.02 0.00 0.00 61.00 63.11 1sgf s PRO 130 Cb -0.21 -3.29 -0.06 0.00 0.02 0.00 0.00 34.50 30.96 1sgf s PRO 130 CO 0.30 0.33 0.46 0.15 -0.33 0.00 0.00 177.00 177.90 1sgf s LYS 131 N -0.77 4.05 0.17 5.54 1.02 -1.26 -5.05 119.74 123.43 1sgf s LYS 131 Ca 0.44 0.50 -0.30 0.00 0.02 0.00 0.00 55.97 56.63 1sgf s LYS 131 Cb -0.27 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.72 1sgf s LYS 131 CO 0.33 0.60 0.97 -0.51 -0.92 0.00 0.00 175.35 175.83 1sgf s LEU 132 N -0.85 4.55 0.00 3.17 1.43 -1.26 -3.09 118.68 122.63 1sgf s LEU 132 Ca 0.25 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 1sgf s LEU 132 Cb -0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1sgf s LEU 132 CO 0.14 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.32 1sgf n GLY 133 N 1.94 0.53 3.75 -3.19 0.00 -0.48 -5.02 105.19 102.71 1sgf n GLY 133 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1sgf n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sgf s SER 134 N -2.05 4.80 -0.26 1.61 0.01 -1.18 -4.75 113.70 111.89 1sgf s SER 134 Ca 0.00 2.18 -0.15 0.00 1.31 0.00 0.00 55.95 59.29 1sgf s SER 134 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1sgf s SER 134 CO 0.00 -1.84 0.39 -0.89 0.41 0.00 0.00 173.24 171.31 1sgf s THR 135 N -2.11 5.17 0.27 1.44 2.01 -1.26 -1.62 115.64 119.54 1sgf s THR 135 Ca 0.71 0.62 0.11 0.00 0.31 0.00 0.00 61.69 63.45 1sgf s THR 135 Cb -0.25 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 1sgf s THR 135 CO 0.41 0.17 -0.16 0.00 -0.69 0.00 0.00 174.62 174.35 1sgf s LEU 137 N -3.47 2.71 0.14 0.00 1.43 -0.26 -0.32 118.68 118.91 1sgf s LEU 137 Ca 0.30 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1sgf s LEU 137 Cb -0.06 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1sgf s LEU 137 CO 0.16 0.17 0.05 0.00 0.23 0.00 0.00 176.35 176.96 1sgf s ALA 138 N -1.18 0.96 0.00 4.21 0.00 -0.89 -2.17 121.76 122.68 1sgf s ALA 138 Ca 0.18 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1sgf s ALA 138 Cb -0.10 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1sgf s ALA 138 CO 0.10 -0.47 0.00 -1.13 0.00 0.00 0.00 175.76 174.27 1sgf n SER 139 N -0.13 0.00 0.00 0.00 3.41 -1.26 -2.39 113.62 113.25 1sgf n SER 139 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1sgf n SER 139 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1sgf n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgf n GLY 140 N 4.90 -1.36 0.00 5.00 0.00 -1.26 -4.63 105.19 107.84 1sgf n GLY 140 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1sgf n GLY 140 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1sgf n THR 145 N 1.83 0.00 0.00 2.61 5.66 -1.26 -4.96 114.28 118.16 1sgf n THR 145 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1sgf n THR 145 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1sgf n THR 145 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sgf s VAL 158 N 0.00 -0.36 -0.54 0.00 1.01 -1.01 -4.82 120.40 114.68 1sgf s VAL 158 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1sgf s VAL 158 Cb 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.43 1sgf s VAL 158 CO 0.00 0.00 0.78 0.21 0.00 0.00 0.00 175.10 176.09 1sgf s ASN 159 N 2.72 6.27 0.46 3.32 2.47 -1.26 -2.10 114.94 126.81 1sgf s ASN 159 Ca -0.01 -0.71 0.07 0.00 0.42 0.00 0.00 52.86 52.64 1sgf s ASN 159 Cb -0.08 -2.36 -0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1sgf s ASN 159 CO -0.14 -1.08 0.37 -0.76 -3.72 0.00 0.00 177.10 171.78 1sgf s LEU 160 N 3.28 3.12 -0.04 3.21 1.43 0.56 -4.68 118.68 125.56 1sgf s LEU 160 Ca 0.22 -0.96 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 1sgf s LEU 160 Cb -0.16 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1sgf s LEU 160 CO 0.15 -0.80 -0.07 -0.75 0.23 0.00 0.00 176.35 175.10 1sgf s LYS 161 N -4.16 0.98 -0.77 1.70 2.20 0.86 0.13 119.74 120.68 1sgf s LYS 161 Ca 0.43 -0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.58 1sgf s LYS 161 Cb -0.02 -0.92 0.02 0.00 -1.51 0.00 0.00 37.83 35.41 1sgf s LYS 161 CO 0.25 -0.01 1.40 -1.17 -0.36 0.00 0.00 175.35 175.46 1sgf s LEU 162 N 0.66 3.23 0.69 5.43 2.96 -0.64 -2.19 118.68 128.81 1sgf s LEU 162 Ca -0.10 -0.50 -0.07 0.00 -0.22 0.00 0.00 54.13 53.24 1sgf s LEU 162 Cb -0.13 -2.56 0.05 0.00 0.50 0.00 0.00 46.19 44.05 1sgf s LEU 162 CO 0.01 -1.88 1.01 -0.76 -1.32 0.00 0.00 176.35 173.40 1sgf s LEU 163 N 6.17 2.88 0.52 -0.68 1.43 -0.94 -1.39 118.68 126.67 1sgf s LEU 163 Ca 0.42 0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 1sgf s LEU 163 Cb -0.07 -3.25 -0.07 0.00 0.03 0.00 0.00 46.19 42.83 1sgf s LEU 163 CO 0.12 -1.50 1.09 -2.84 0.23 0.00 0.00 176.35 173.45 1sgf s PRO 164 N -5.22 3.54 0.58 1.29 0.02 -1.26 -4.36 135.00 129.58 1sgf s PRO 164 Ca 0.59 1.49 0.37 0.00 0.02 0.00 0.00 61.00 63.48 1sgf s PRO 164 Cb -0.11 -2.04 2.04 0.00 0.02 0.00 0.00 34.50 34.41 1sgf s PRO 164 CO 0.45 -0.68 2.15 -0.91 -0.33 0.00 0.00 177.00 177.69 1sgf h ASN 165 N 1.32 0.00 0.42 2.53 -0.26 -1.94 -1.98 115.58 115.67 1sgf h ASN 165 Ca -0.50 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.16 1sgf h ASN 165 Cb 1.24 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.49 1sgf h ASN 165 CO 0.58 0.00 -0.38 -0.33 -1.06 0.00 0.00 177.43 176.24 1sgf h GLU 166 N 0.00 0.00 0.00 0.81 5.08 -1.98 -1.83 114.58 116.66 1sgf h GLU 166 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sgf h GLU 166 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1sgf h GLU 166 CO 0.00 0.38 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.89 1sgf h ASP 167 N 0.00 0.00 0.33 1.42 3.32 -1.73 -1.65 116.42 118.10 1sgf h ASP 167 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 1sgf h ASP 167 Cb 0.69 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.25 1sgf h ASP 167 CO 0.05 0.06 -1.59 0.00 -1.72 0.00 0.00 179.24 176.04 1sgf n ASP 169 N -3.56 0.41 0.07 0.00 2.03 -0.71 -2.28 116.55 112.52 1sgf n ASP 169 Ca -0.19 0.67 0.13 0.00 0.52 0.00 0.00 54.79 55.92 1sgf n ASP 169 Cb 1.07 -0.73 0.30 0.00 -0.72 0.00 0.00 41.12 41.03 1sgf n ASP 169 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sgf n LYS 170 N -2.03 0.25 -1.13 -0.67 4.81 -0.71 -3.91 118.16 114.76 1sgf n LYS 170 Ca -0.00 0.13 -0.19 0.00 -0.87 0.00 0.00 58.31 57.37 1sgf n LYS 170 Cb 0.06 -1.71 0.18 0.00 0.02 0.00 0.00 35.03 33.59 1sgf n LYS 170 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sgf n ALA 171 N -1.77 5.30 -1.43 3.14 0.00 -0.97 -4.96 120.51 119.82 1sgf n ALA 171 Ca 0.05 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.52 1sgf n ALA 171 Cb 0.42 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1sgf n ALA 171 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1sgf n HIS 172 N -1.14 0.00 -0.06 0.00 -0.00 -1.25 -4.68 115.22 108.09 1sgf n HIS 172 Ca 0.53 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.64 1sgf n HIS 172 Cb 1.52 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 31.32 1sgf n HIS 172 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1sgf n GLU 173 N -0.35 1.41 -3.85 1.57 2.13 -1.26 -4.68 120.64 115.61 1sgf n GLU 173 Ca 0.00 0.03 -0.08 0.00 0.66 0.00 0.00 57.16 57.77 1sgf n GLU 173 Cb 0.00 -1.26 -0.03 0.00 0.27 0.00 0.00 31.44 30.42 1sgf n GLU 173 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sgf s MET 174 N -2.26 1.68 -0.12 5.31 0.23 -1.26 -3.97 119.30 118.92 1sgf s MET 174 Ca -0.11 -1.00 -0.29 0.00 -1.03 0.00 0.00 55.69 53.27 1sgf s MET 174 Cb 0.04 0.58 -0.01 0.00 -1.53 0.00 0.00 34.83 33.90 1sgf s MET 174 CO 0.37 -0.75 0.98 0.21 -2.03 0.00 0.00 175.02 173.79 1sgf s LYS 175 N -3.92 4.40 -0.30 3.16 2.20 -0.92 -4.90 119.74 119.46 1sgf s LYS 175 Ca 0.12 1.33 -0.09 0.00 -0.36 0.00 0.00 55.97 56.98 1sgf s LYS 175 Cb -0.04 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1sgf s LYS 175 CO 0.05 -0.32 0.13 0.08 -0.36 0.00 0.00 175.35 174.93 1sgf s VAL 176 N 2.04 4.45 0.46 4.02 1.01 -1.26 -4.58 120.40 126.54 1sgf s VAL 176 Ca 0.47 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1sgf s VAL 176 Cb -0.18 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1sgf s VAL 176 CO 0.17 0.11 0.28 0.35 0.00 0.00 0.00 175.10 176.01 1sgf n THR 177 N 4.95 0.00 0.55 3.92 -2.24 -1.26 -5.00 114.28 115.21 1sgf n THR 177 Ca -0.14 -1.90 0.09 0.00 -2.27 0.00 0.00 64.05 59.83 1sgf n THR 177 Cb 0.49 0.01 0.40 0.00 -2.10 0.00 0.00 70.33 69.13 1sgf n THR 177 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sgf n ASP 178 N -1.73 0.19 -1.24 3.42 5.75 -1.26 -2.07 116.55 119.60 1sgf n ASP 178 Ca -0.05 0.54 0.06 0.00 -0.01 0.00 0.00 54.79 55.33 1sgf n ASP 178 Cb 0.54 -0.58 0.25 0.00 -1.03 0.00 0.00 41.12 40.30 1sgf n ASP 178 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sgf n ALA 179 N -1.57 3.05 -2.29 2.12 0.00 -1.26 -4.92 120.51 115.64 1sgf n ALA 179 Ca 0.04 -1.13 -0.16 0.00 0.00 0.00 0.00 53.44 52.19 1sgf n ALA 179 Cb 0.22 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 1sgf n ALA 179 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sgf s MET 180 N -1.86 1.19 0.42 0.00 -1.94 -0.88 -2.83 119.30 113.40 1sgf s MET 180 Ca 0.35 -1.55 0.06 0.00 -1.71 0.00 0.00 55.69 52.85 1sgf s MET 180 Cb 0.24 -0.67 -0.07 0.00 2.01 0.00 0.00 34.83 36.34 1sgf s MET 180 CO 0.15 0.02 0.04 -0.51 -0.01 0.00 0.00 175.02 174.72 1sgf s LEU 181 N -3.23 2.85 -0.04 -0.03 1.43 0.15 -4.75 118.68 115.06 1sgf s LEU 181 Ca 0.21 -1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 51.95 1sgf s LEU 181 Cb 0.03 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.32 1sgf s LEU 181 CO 0.04 -0.51 0.09 0.00 0.23 0.00 0.00 176.35 176.19 1sgf s ALA 183 N 1.17 -0.01 0.35 0.00 0.00 -1.00 -2.20 121.76 120.07 1sgf s ALA 183 Ca -0.09 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1sgf s ALA 183 Cb -0.12 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1sgf s ALA 183 CO -0.04 -0.09 0.40 0.20 0.00 0.00 0.00 175.76 176.22 1sgf s GLY 184 N -0.74 1.96 0.02 0.00 0.00 -0.93 -1.51 107.32 106.12 1sgf s GLY 184 Ca -0.08 -1.82 0.02 0.00 0.00 0.00 0.00 44.72 42.84 1sgf s GLY 184 CO -0.00 -1.23 -0.08 -1.83 0.00 0.00 0.00 173.10 169.96 1sgf s GLU 185 N -3.14 0.56 -0.43 2.90 -1.05 -1.26 -0.10 118.70 116.19 1sgf s GLU 185 Ca 0.36 -0.53 0.07 0.00 -0.15 0.00 0.00 54.97 54.71 1sgf s GLU 185 Cb 0.01 -0.45 0.33 0.00 -0.44 0.00 0.00 34.13 33.58 1sgf s GLU 185 CO 0.25 0.11 1.22 -1.33 0.95 0.00 0.00 175.26 176.46 1sgf n MET 186 N 2.13 1.00 -2.39 -4.83 2.81 -1.26 -4.94 117.12 109.63 1sgf n MET 186 Ca -0.18 -1.77 -0.30 0.00 -1.81 0.00 0.00 57.70 53.64 1sgf n MET 186 Cb 0.56 -0.59 0.01 0.00 -0.71 0.00 0.00 33.22 32.48 1sgf n MET 186 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1sgf n ASP 186 N 0.00 5.37 0.00 7.83 -0.08 -1.26 -5.05 116.55 123.36 1sgf n ASP 186 Ca 0.01 -3.74 0.00 0.00 -1.51 0.00 0.00 54.79 49.54 1sgf n ASP 186 Cb 0.75 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1sgf n ASP 186 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sgf n GLY 186 N -0.47 0.03 2.65 0.27 0.00 -1.26 -4.92 105.19 101.49 1sgf n GLY 186 Ca 0.42 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 1sgf n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sgf n GLY 187 N 0.00 2.66 3.02 -0.02 0.00 -1.26 -4.96 105.19 104.62 1sgf n GLY 187 Ca 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.49 1sgf n GLY 187 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sgf s SER 188 N -3.54 -0.49 -0.16 1.61 0.15 -1.26 -5.14 113.70 104.87 1sgf s SER 188 Ca 0.32 -0.07 -0.03 0.00 0.70 0.00 0.00 55.95 56.88 1sgf s SER 188 Cb 0.38 1.52 -0.02 0.00 -1.71 0.00 0.00 66.02 66.19 1sgf s SER 188 CO -0.02 -0.33 -0.06 -0.31 1.20 0.00 0.00 173.24 173.73 1sgf s TYR 189 N 2.67 2.96 0.22 3.44 2.02 -1.26 -4.97 117.35 122.43 1sgf s TYR 189 Ca 0.11 -0.47 -0.27 0.00 -0.37 0.00 0.00 57.07 56.07 1sgf s TYR 189 Cb -0.12 -1.95 -0.09 0.00 -0.40 0.00 0.00 41.96 39.41 1sgf s TYR 189 CO -0.27 -0.15 0.86 -0.08 -1.57 0.00 0.00 175.55 174.34 1sgf s THR 190 N 0.52 4.24 -0.82 -0.71 -1.32 -1.26 -5.00 115.64 111.29 1sgf s THR 190 Ca -0.05 1.84 -0.22 0.00 -1.21 0.00 0.00 61.69 62.06 1sgf s THR 190 Cb -0.15 -4.17 0.08 0.00 -1.51 0.00 0.00 72.50 66.75 1sgf s THR 190 CO 0.03 0.43 1.15 0.00 -2.21 0.00 0.00 174.62 174.02 1sgf s GLU 192 N 3.99 0.21 -0.28 0.00 2.02 -1.26 -4.90 118.70 118.47 1sgf s GLU 192 Ca 0.32 0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.80 1sgf s GLU 192 Cb -0.09 -0.09 0.14 0.00 0.10 0.00 0.00 34.13 34.19 1sgf s GLU 192 CO 0.01 -0.15 0.33 -1.58 0.02 0.00 0.00 175.26 173.89 1sgf s HIS 193 N 1.11 -0.66 -0.72 1.61 2.46 -1.21 -4.91 115.29 112.97 1sgf s HIS 193 Ca -0.08 0.07 -0.14 0.00 0.47 0.00 0.00 55.06 55.38 1sgf s HIS 193 Cb -0.09 -0.33 0.19 0.00 -0.13 0.00 0.00 32.58 32.22 1sgf s HIS 193 CO -0.07 -0.92 0.65 0.34 -2.47 0.00 0.00 174.74 172.27 1sgf s ASP 194 N 2.43 6.45 -0.14 9.88 2.15 -1.26 -5.01 116.67 131.17 1sgf s ASP 194 Ca 0.10 -2.41 -0.32 0.00 0.43 0.00 0.00 52.55 50.34 1sgf s ASP 194 Cb -0.14 -2.18 -0.10 0.00 -0.30 0.00 0.00 42.92 40.21 1sgf s ASP 194 CO -0.30 -0.65 2.02 -1.20 -0.17 0.00 0.00 175.17 174.87 1sgf n SER 195 N 4.34 3.30 0.00 -0.34 7.64 -1.26 -0.80 113.62 126.51 1sgf n SER 195 Ca 0.05 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1sgf n SER 195 Cb 0.44 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 1sgf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sgf n GLY 196 N 5.07 0.65 3.77 0.23 0.00 -0.69 -0.05 105.19 114.17 1sgf n GLY 196 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1sgf n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sgf s GLY 197 N -1.98 1.65 0.73 -0.02 0.00 0.02 -3.28 107.32 104.44 1sgf s GLY 197 Ca 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 44.72 44.66 1sgf s GLY 197 CO 0.00 0.45 1.08 -4.14 0.00 0.00 0.00 173.10 170.48 1sgf s PRO 198 N -4.98 2.65 -0.31 2.90 0.02 -1.26 -1.43 135.00 132.59 1sgf s PRO 198 Ca 0.61 0.75 -0.03 0.00 0.02 0.00 0.00 61.00 62.36 1sgf s PRO 198 Cb -0.16 -1.97 0.10 0.00 0.02 0.00 0.00 34.50 32.49 1sgf s PRO 198 CO 0.56 -1.25 0.13 -1.17 -0.33 0.00 0.00 177.00 174.94 1sgf s LEU 199 N -5.58 1.14 -0.48 -5.54 2.96 -0.64 -4.23 118.68 106.32 1sgf s LEU 199 Ca 0.59 -1.51 -0.17 0.00 -0.22 0.00 0.00 54.13 52.81 1sgf s LEU 199 Cb -0.14 -0.52 0.06 0.00 0.50 0.00 0.00 46.19 46.09 1sgf s LEU 199 CO 0.54 -0.42 0.48 -0.63 -1.32 0.00 0.00 176.35 175.01 1sgf s ILE 200 N 1.81 5.08 -0.08 6.68 1.01 -0.92 -1.43 121.20 133.35 1sgf s ILE 200 Ca 0.10 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 1sgf s ILE 200 Cb -0.17 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1sgf s ILE 200 CO -0.29 -0.64 0.13 0.00 0.00 0.00 0.00 174.94 174.14 1sgf n ASP 202 N 1.70 -1.34 0.00 0.00 8.00 -0.99 -0.26 116.55 123.66 1sgf n ASP 202 Ca -0.17 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.17 1sgf n ASP 202 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 1sgf n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sgf n GLY 207 N -2.20 0.79 3.41 0.44 0.00 -1.26 -4.96 105.19 101.41 1sgf n GLY 207 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1sgf n GLY 207 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sgf s ILE 208 N -1.84 2.32 0.32 -0.61 -4.36 0.64 -5.07 121.20 112.60 1sgf s ILE 208 Ca 0.00 -1.96 -0.29 0.00 -0.26 0.00 0.00 60.65 58.14 1sgf s ILE 208 Cb 0.00 -2.09 -0.10 0.00 1.25 0.00 0.00 42.46 41.52 1sgf s ILE 208 CO 0.00 -0.07 1.35 -0.22 0.24 0.00 0.00 174.94 176.24 1sgf s LEU 209 N -2.51 4.41 0.00 0.37 2.96 -1.26 -0.42 118.68 122.22 1sgf s LEU 209 Ca 0.19 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.82 1sgf s LEU 209 Cb -0.08 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1sgf s LEU 209 CO 0.09 -0.60 0.00 1.67 -1.32 0.00 0.00 176.35 176.19 1sgf n GLN 210 N 1.03 0.00 -4.06 1.98 -0.06 -0.52 -4.11 117.38 111.64 1sgf n GLN 210 Ca 0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.89 1sgf n GLN 210 Cb 0.41 -0.47 -0.05 0.00 -4.06 0.00 0.00 30.24 26.07 1sgf n GLN 210 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1sgf s GLY 211 N -1.19 1.18 -0.10 1.69 0.00 -0.92 -1.19 107.32 106.79 1sgf s GLY 211 Ca 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.37 1sgf s GLY 211 CO 0.00 -0.90 0.03 -0.42 0.00 0.00 0.00 173.10 171.81 1sgf s ILE 212 N -3.36 0.24 -0.34 0.90 1.01 -0.67 -1.61 121.20 117.36 1sgf s ILE 212 Ca 0.28 0.03 -0.42 0.00 0.00 0.00 0.00 60.65 60.55 1sgf s ILE 212 Cb -0.00 -0.54 -0.16 0.00 0.01 0.00 0.00 42.46 41.76 1sgf s ILE 212 CO 0.16 0.09 1.74 0.41 0.00 0.00 0.00 174.94 177.35 1sgf n THR 213 N 5.18 0.24 -0.52 2.92 -1.04 -0.51 0.15 114.28 120.69 1sgf n THR 213 Ca -0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1sgf n THR 213 Cb 0.49 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1sgf n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1sgf n SER 214 N 5.31 0.00 -4.76 8.00 2.88 -0.78 -1.70 113.62 122.58 1sgf n SER 214 Ca 0.29 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.43 1sgf n SER 214 Cb 0.09 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.51 1sgf n SER 214 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1sgf s TRP 215 N 2.11 3.46 0.04 0.66 -0.00 -1.26 -4.73 118.94 119.22 1sgf s TRP 215 Ca 0.00 1.65 -0.27 0.00 -0.00 0.00 0.00 56.10 57.48 1sgf s TRP 215 Cb 0.00 -3.33 0.07 0.00 -0.00 0.00 0.00 33.47 30.21 1sgf s TRP 215 CO 0.00 -0.77 0.67 0.20 -0.00 0.00 0.00 176.95 177.04 1sgf s GLY 216 N -0.89 -0.58 0.41 5.86 0.00 -1.26 -4.50 107.32 106.36 1sgf s GLY 216 Ca 0.47 0.96 -0.26 0.00 0.00 0.00 0.00 44.72 45.89 1sgf s GLY 216 CO 0.42 0.57 1.33 -4.14 0.00 0.00 0.00 173.10 171.28 1sgf s PRO 217 N -2.43 3.93 0.06 2.90 0.02 -1.26 -5.03 135.00 133.19 1sgf s PRO 217 Ca -0.04 2.21 0.09 0.00 0.02 0.00 0.00 61.00 63.28 1sgf s PRO 217 Cb -0.01 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.74 1sgf s PRO 217 CO -0.02 -0.54 -0.26 -1.21 -0.33 0.00 0.00 177.00 174.64 1sgf s GLU 218 N -2.27 1.69 0.30 5.54 2.02 -1.26 -3.36 118.70 121.36 1sgf s GLU 218 Ca 0.57 -1.14 0.05 0.00 0.02 0.00 0.00 54.97 54.47 1sgf s GLU 218 Cb -0.39 -1.92 0.46 0.00 0.10 0.00 0.00 34.13 32.38 1sgf s GLU 218 CO 0.50 0.49 1.72 -1.35 0.02 0.00 0.00 175.26 176.64 1sgf h PRO 219 N 4.63 0.33 -3.96 0.39 0.11 -1.96 -3.49 132.00 128.05 1sgf h PRO 219 Ca -0.47 -0.14 -0.15 0.00 0.11 0.00 0.00 66.00 65.35 1sgf h PRO 219 Cb 1.15 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 1sgf h PRO 219 CO 0.43 0.63 -0.24 0.00 -0.21 0.00 0.00 178.00 178.61 1sgf n GLY 221 N -0.41 2.05 3.70 0.00 0.00 -1.26 -4.76 105.19 104.51 1sgf n GLY 221 Ca -0.00 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 1sgf n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sgf s GLU 222 N -3.37 4.13 0.00 1.61 2.02 -1.26 -4.77 118.70 117.06 1sgf s GLU 222 Ca 0.31 2.61 -0.00 0.00 0.02 0.00 0.00 54.97 57.90 1sgf s GLU 222 Cb -0.02 -3.48 -0.00 0.00 0.10 0.00 0.00 34.13 30.72 1sgf s GLU 222 CO 0.19 -0.83 0.15 -2.30 0.02 0.00 0.00 175.26 172.49 1sgf n PRO 222 N 5.32 0.00 0.00 0.39 -0.02 -1.26 0.05 135.00 139.48 1sgf n PRO 222 Ca 0.17 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1sgf n PRO 222 Cb 0.37 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 1sgf n PRO 222 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sgf n THR 223 N 2.82 0.00 -2.28 3.45 -2.24 -1.26 -5.06 114.28 109.71 1sgf n THR 223 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.39 1sgf n THR 223 Cb 0.06 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 1sgf n THR 223 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1sgf s GLU 224 N 0.00 4.34 0.54 -0.78 2.12 0.11 -4.86 118.70 120.17 1sgf s GLU 224 Ca 0.00 1.98 -0.06 0.00 0.36 0.00 0.00 54.97 57.24 1sgf s GLU 224 Cb 0.00 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 1sgf s GLU 224 CO 0.00 -0.11 0.87 -2.14 -0.54 0.00 0.00 175.26 173.33 1sgf s PRO 225 N -1.85 3.30 0.29 4.30 0.02 -1.26 -4.84 135.00 134.95 1sgf s PRO 225 Ca 0.50 0.19 0.08 0.00 0.02 0.00 0.00 61.00 61.80 1sgf s PRO 225 Cb -0.35 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 1sgf s PRO 225 CO 0.45 -0.46 0.10 -1.12 -0.33 0.00 0.00 177.00 175.64 1sgf s SER 226 N -4.20 4.86 -0.18 2.53 0.01 -0.57 -4.96 113.70 111.20 1sgf s SER 226 Ca 0.51 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 57.18 1sgf s SER 226 Cb -0.10 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.16 1sgf s SER 226 CO 0.46 -0.11 -0.10 -0.69 0.41 0.00 0.00 173.24 173.21 1sgf s VAL 227 N -2.31 3.08 0.28 3.43 1.01 -1.26 -2.39 120.40 122.25 1sgf s VAL 227 Ca 0.34 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1sgf s VAL 227 Cb -0.06 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1sgf s VAL 227 CO 0.22 0.48 0.16 -0.31 0.00 0.00 0.00 175.10 175.65 1sgf s TYR 228 N 1.00 2.94 -0.04 5.22 1.51 -1.03 -1.87 117.35 125.08 1sgf s TYR 228 Ca -0.01 -0.19 -0.20 0.00 -1.01 0.00 0.00 57.07 55.66 1sgf s TYR 228 Cb -0.15 -1.44 -0.05 0.00 -0.11 0.00 0.00 41.96 40.22 1sgf s TYR 228 CO -0.01 0.47 0.56 0.99 -1.11 0.00 0.00 175.55 176.45 1sgf s THR 229 N -2.23 5.02 0.09 -0.71 2.01 0.12 -0.68 115.64 119.26 1sgf s THR 229 Ca 0.34 1.15 -0.30 0.00 0.31 0.00 0.00 61.69 63.19 1sgf s THR 229 Cb -0.07 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1sgf s THR 229 CO 0.24 0.38 1.14 -0.75 -0.69 0.00 0.00 174.62 174.94 1sgf s LYS 230 N 0.10 4.50 0.07 4.92 2.20 -1.13 -1.67 119.74 128.73 1sgf s LYS 230 Ca 0.30 1.71 0.09 0.00 -0.36 0.00 0.00 55.97 57.70 1sgf s LYS 230 Cb -0.17 -3.34 -0.21 0.00 -1.51 0.00 0.00 37.83 32.60 1sgf s LYS 230 CO 0.15 -0.12 1.08 -0.07 -0.36 0.00 0.00 175.35 176.02 1sgf h LEU 231 N 6.25 0.00 0.18 5.43 4.07 -1.51 -3.38 115.31 126.36 1sgf h LEU 231 Ca -0.42 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.53 1sgf h LEU 231 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1sgf h LEU 231 CO 0.77 0.99 -0.09 0.40 -1.08 0.00 0.00 178.44 179.44 1sgf h ILE 232 N 0.00 0.91 0.00 1.22 2.04 -1.93 -2.42 117.51 117.33 1sgf h ILE 232 Ca -0.10 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1sgf h ILE 232 Cb 1.84 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 1sgf h ILE 232 CO 0.11 0.10 0.67 0.50 0.00 0.00 0.00 178.15 179.53 1sgf h LYS 233 N -0.45 0.00 -0.04 2.37 1.63 -1.98 0.15 116.57 118.25 1sgf h LYS 233 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1sgf h LYS 233 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1sgf h LYS 233 CO 0.04 0.00 0.00 1.19 -3.45 0.00 0.00 179.45 177.23 1sgf n PHE 234 N -2.63 0.05 -0.19 1.91 3.01 -0.97 -4.79 117.46 113.86 1sgf n PHE 234 Ca -0.01 -0.25 -0.00 0.00 1.01 0.00 0.00 57.45 58.20 1sgf n PHE 234 Cb 0.69 -0.02 0.09 0.00 -0.01 0.00 0.00 39.48 40.23 1sgf n PHE 234 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1sgf h SER 235 N 0.48 -0.19 -0.32 4.37 0.87 -0.23 -1.58 113.55 116.94 1sgf h SER 235 Ca 0.00 0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1sgf h SER 235 Cb 0.33 0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.44 1sgf h SER 235 CO 0.00 -0.07 -0.16 0.28 -0.53 0.00 0.00 176.83 176.35 1sgf h SER 236 N 0.15 -0.53 -0.89 6.23 0.02 -1.87 -1.39 113.55 115.26 1sgf h SER 236 Ca 0.30 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.45 1sgf h SER 236 Cb 0.46 0.29 -0.07 0.00 0.14 0.00 0.00 62.40 63.23 1sgf h SER 236 CO -0.46 -0.19 0.55 -0.25 -1.14 0.00 0.00 176.83 175.33 1sgf h TRP 237 N -0.11 1.01 0.40 3.45 7.01 -1.66 -2.31 115.95 123.74 1sgf h TRP 237 Ca 0.17 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 1sgf h TRP 237 Cb 0.36 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 1sgf h TRP 237 CO -0.37 0.49 -0.19 0.82 -2.79 0.00 0.00 178.44 176.40 1sgf h ILE 238 N 0.98 0.00 -1.12 2.65 2.04 -1.02 -2.49 117.51 118.55 1sgf h ILE 238 Ca 0.40 -0.13 0.32 0.00 1.00 0.00 0.00 64.86 66.46 1sgf h ILE 238 Cb 0.23 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 1sgf h ILE 238 CO -0.19 0.00 0.86 0.03 0.00 0.00 0.00 178.15 178.85 1sgf h ARG 239 N -0.67 0.00 0.18 2.37 3.08 -1.16 0.23 114.38 118.42 1sgf h ARG 239 Ca -0.06 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.68 1sgf h ARG 239 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1sgf h ARG 239 CO 0.09 0.00 -1.55 0.93 -1.07 0.00 0.00 179.97 178.37 1sgf h GLU 240 N 0.00 0.38 0.00 0.04 5.08 -1.47 -2.74 114.58 115.87 1sgf h GLU 240 Ca 0.53 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1sgf h GLU 240 Cb 2.24 0.24 0.00 0.00 0.50 0.00 0.00 28.75 31.74 1sgf h GLU 240 CO -0.01 1.31 0.00 2.41 -1.00 0.00 0.00 179.01 181.73 1sgf n THR 241 N -3.74 0.72 0.02 1.13 -1.04 0.52 0.12 114.28 112.01 1sgf n THR 241 Ca -0.23 0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 61.82 1sgf n THR 241 Cb 1.02 -0.93 -0.10 0.00 -1.82 0.00 0.00 70.33 68.50 1sgf n THR 241 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1sgf h MET 242 N 0.00 0.00 0.00 -2.82 -1.53 -0.78 -3.40 114.93 106.39 1sgf h MET 242 Ca 0.00 0.00 -0.43 0.00 -3.44 0.00 0.00 59.70 55.83 1sgf h MET 242 Cb 0.48 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.46 1sgf h MET 242 CO 0.00 0.36 -2.39 0.00 0.14 0.00 0.00 176.91 175.02 1sgf n ALA 243 N -2.44 1.15 1.44 0.39 0.00 -0.94 -5.07 120.51 115.05 1sgf n ALA 243 Ca -0.11 -1.04 0.12 0.00 0.00 0.00 0.00 53.44 52.40 1sgf n ALA 243 Cb 0.90 0.07 0.68 0.00 0.00 0.00 0.00 19.45 21.11 1sgf n ALA 243 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59