#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bps n GLY 0 N 0.00 0.88 3.34 1.57 0.00 -1.26 -4.74 105.19 104.98 2bps n GLY 0 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.41 2bps n GLY 0 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bps s SER 1 N -4.00 -0.22 0.20 1.61 0.15 -1.26 -4.97 113.70 105.21 2bps s SER 1 Ca 0.00 0.31 -0.30 0.00 0.70 0.00 0.00 55.95 56.66 2bps s SER 1 Cb 0.00 1.22 -0.09 0.00 -1.71 0.00 0.00 66.02 65.44 2bps s SER 1 CO 0.00 -0.04 1.28 -0.31 1.20 0.00 0.00 173.24 175.36 2bps s TYR 2 N 1.94 3.29 0.02 3.44 4.12 -1.26 -0.56 117.35 128.34 2bps s TYR 2 Ca -0.02 1.29 0.03 0.00 0.02 0.00 0.00 57.07 58.39 2bps s TYR 2 Cb -0.02 -3.56 -0.02 0.00 -1.52 0.00 0.00 41.96 36.84 2bps s TYR 2 CO -0.15 -1.68 -0.10 0.96 0.02 0.00 0.00 175.55 174.59 2bps s ILE 3 N -0.02 0.81 -0.33 2.71 -4.36 -0.45 -4.92 121.20 114.64 2bps s ILE 3 Ca 0.55 -0.77 -0.12 0.00 -0.26 0.00 0.00 60.65 60.05 2bps s ILE 3 Cb -0.36 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.59 2bps s ILE 3 CO 0.39 -0.02 0.21 -1.81 0.24 0.00 0.00 174.94 173.95 2bps s ASP 4 N -0.89 5.89 0.41 4.36 -0.00 -1.26 -2.50 116.67 122.68 2bps s ASP 4 Ca -0.00 -0.42 0.04 0.00 -0.00 0.00 0.00 52.55 52.16 2bps s ASP 4 Cb -0.07 -2.09 -0.02 0.00 -0.00 0.00 0.00 42.92 40.74 2bps s ASP 4 CO 0.01 -0.21 0.14 0.27 -0.00 0.00 0.00 175.17 175.38 2bps s ILE 5 N 1.69 0.57 -0.06 0.77 -4.36 0.04 -1.67 121.20 118.18 2bps s ILE 5 Ca 0.06 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.49 2bps s ILE 5 Cb -0.17 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.19 2bps s ILE 5 CO 0.09 0.00 -0.18 -0.89 0.24 0.00 0.00 174.94 174.21 2bps s THR 6 N -3.21 1.49 -0.18 8.37 2.01 -0.69 -0.87 115.64 122.57 2bps s THR 6 Ca 0.24 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 2bps s THR 6 Cb 0.02 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2bps s THR 6 CO 0.15 0.43 0.02 -0.63 -0.69 0.00 0.00 174.62 173.90 2bps s ILE 7 N 0.21 4.39 -0.25 1.82 -1.09 0.48 -0.30 121.20 126.45 2bps s ILE 7 Ca -0.08 -0.18 -0.00 0.00 -2.23 0.00 0.00 60.65 58.16 2bps s ILE 7 Cb -0.14 -2.96 0.04 0.00 -1.58 0.00 0.00 42.46 37.82 2bps s ILE 7 CO 0.04 0.46 -0.08 -0.62 -1.23 0.00 0.00 174.94 173.51 2bps s ASP 8 N 0.50 4.30 -0.46 3.58 3.68 0.83 -1.94 116.67 127.17 2bps s ASP 8 Ca 0.01 -1.05 -0.02 0.00 2.13 0.00 0.00 52.55 53.62 2bps s ASP 8 Cb -0.13 -1.62 0.24 0.00 -1.45 0.00 0.00 42.92 39.95 2bps s ASP 8 CO 0.02 -0.15 2.19 0.18 0.13 0.00 0.00 175.17 177.54 2bps n LEU 9 N 4.60 6.81 -0.24 -1.34 4.77 -0.16 -2.74 117.00 128.70 2bps n LEU 9 Ca -0.16 -3.78 0.04 0.00 -0.03 0.00 0.00 56.01 52.09 2bps n LEU 9 Cb 0.45 -1.08 0.17 0.00 -2.33 0.00 0.00 43.42 40.63 2bps n LEU 9 CO 0.25 1.42 0.95 0.50 -1.33 0.00 0.00 177.39 179.18 2bps h LYS 10 N 2.02 0.30 -0.80 3.23 3.64 -1.83 0.14 116.57 123.27 2bps h LYS 10 Ca 0.40 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2bps h LYS 10 Cb 0.79 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2bps h LYS 10 CO 1.01 0.20 0.00 0.72 -2.27 0.00 0.00 179.45 179.10 2bps n HIS 11 N -5.11 0.08 0.00 1.91 8.25 -1.26 -4.27 115.22 114.82 2bps n HIS 11 Ca 0.13 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2bps n HIS 11 Cb 0.42 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.43 2bps n HIS 11 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bps n TYR 12 N -0.06 0.00 1.27 4.41 4.02 -0.10 -4.95 117.16 121.75 2bps n TYR 12 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.01 2bps n TYR 12 Cb 0.24 0.00 0.63 0.00 -0.02 0.00 0.00 39.34 40.19 2bps n TYR 12 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2bps n ASN 13 N 0.00 0.00 0.00 7.72 0.23 -1.23 -4.89 115.26 117.08 2bps n ASN 13 Ca 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 54.58 53.63 2bps n ASN 13 Cb 0.00 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 2bps n ASN 13 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bps n GLY 14 N 0.51 0.50 3.91 4.83 0.00 0.29 -5.02 105.19 110.22 2bps n GLY 14 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2bps n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bps s SER 15 N -2.06 4.08 -0.14 1.61 1.04 -1.25 -4.64 113.70 112.33 2bps s SER 15 Ca 0.00 0.58 -0.06 0.00 0.48 0.00 0.00 55.95 56.95 2bps s SER 15 Cb 0.00 -0.94 0.06 0.00 0.10 0.00 0.00 66.02 65.24 2bps s SER 15 CO 0.00 -2.15 0.31 -0.69 0.98 0.00 0.00 173.24 171.69 2bps s VAL 16 N -3.65 -0.31 0.15 5.02 1.01 -1.26 -0.98 120.40 120.38 2bps s VAL 16 Ca 0.66 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.86 2bps s VAL 16 Cb -0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2bps s VAL 16 CO 0.50 0.08 -0.04 0.72 0.00 0.00 0.00 175.10 176.36 2bps s PHE 17 N 2.01 1.14 0.02 5.22 -0.71 -0.82 -4.98 117.98 119.86 2bps s PHE 17 Ca -0.04 -0.93 -0.02 0.00 -1.04 0.00 0.00 56.93 54.90 2bps s PHE 17 Cb -0.11 -0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 41.02 2bps s PHE 17 CO -0.10 -0.13 0.20 -0.51 -1.34 0.00 0.00 175.22 173.35 2bps s ASP 18 N -3.14 6.38 -0.00 1.98 1.01 -1.26 -0.39 116.67 121.25 2bps s ASP 18 Ca 0.19 0.35 -0.01 0.00 0.71 0.00 0.00 52.55 53.79 2bps s ASP 18 Cb 0.05 -2.00 -0.00 0.00 1.01 0.00 0.00 42.92 41.98 2bps s ASP 18 CO 0.01 0.23 0.02 -0.22 0.21 0.00 0.00 175.17 175.41 2bps s LEU 19 N -2.12 1.97 -0.18 1.23 1.98 -0.05 -4.93 118.68 116.59 2bps s LEU 19 Ca 0.30 -0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.44 2bps s LEU 19 Cb -0.13 0.13 0.04 0.00 0.66 0.00 0.00 46.19 46.89 2bps s LEU 19 CO 0.21 -0.11 -0.10 -0.60 -1.89 0.00 0.00 176.35 173.87 2bps s ARG 20 N -0.46 1.95 0.22 1.98 3.52 -1.26 -0.78 118.95 124.12 2bps s ARG 20 Ca -0.05 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 54.75 2bps s ARG 20 Cb -0.03 -2.26 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 2bps s ARG 20 CO -0.00 -0.39 0.34 -0.48 -0.81 0.00 0.00 175.30 173.96 2bps s LEU 21 N 1.47 0.69 0.14 -0.88 2.34 -1.04 -4.94 118.68 116.45 2bps s LEU 21 Ca 0.00 -1.07 -0.30 0.00 0.06 0.00 0.00 54.13 52.83 2bps s LEU 21 Cb -0.15 1.23 -0.07 0.00 -0.56 0.00 0.00 46.19 46.64 2bps s LEU 21 CO -0.09 -1.00 1.12 -0.55 -1.06 0.00 0.00 176.35 174.77 2bps s SER 22 N -3.05 7.21 0.00 1.48 0.15 -1.26 -1.35 113.70 116.88 2bps s SER 22 Ca 0.27 2.06 0.14 0.00 0.70 0.00 0.00 55.95 59.11 2bps s SER 22 Cb 0.02 -2.60 0.81 0.00 -1.71 0.00 0.00 66.02 62.55 2bps s SER 22 CO 0.08 -0.29 1.27 -0.90 1.20 0.00 0.00 173.24 174.60 2bps n ASP 23 N 2.85 0.00 -0.29 5.45 5.68 0.27 -2.21 116.55 128.31 2bps n ASP 23 Ca 0.05 -0.83 0.14 0.00 -0.50 0.00 0.00 54.79 53.65 2bps n ASP 23 Cb 0.46 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.09 2bps n ASP 23 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bps n TYR 24 N -0.84 0.03 -2.84 2.11 4.11 -1.26 -0.77 117.16 117.70 2bps n TYR 24 Ca 0.10 -0.01 -0.33 0.00 -0.00 0.00 0.00 57.90 57.66 2bps n TYR 24 Cb 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.32 2bps n TYR 24 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2bps s HIS 25 N -1.97 3.33 0.30 -3.48 3.76 -0.94 -4.82 115.29 111.47 2bps s HIS 25 Ca 0.39 1.54 -0.29 0.00 -0.15 0.00 0.00 55.06 56.55 2bps s HIS 25 Cb 0.20 -2.80 -0.10 0.00 1.11 0.00 0.00 32.58 31.00 2bps s HIS 25 CO 0.32 -0.10 1.17 -2.14 -0.85 0.00 0.00 174.74 173.15 2bps s PRO 26 N -3.22 4.54 0.52 8.40 0.02 -1.26 -1.32 135.00 142.68 2bps s PRO 26 Ca 0.61 1.95 0.42 0.00 0.02 0.00 0.00 61.00 63.99 2bps s PRO 26 Cb -0.09 -3.15 1.61 0.00 0.02 0.00 0.00 34.50 32.89 2bps s PRO 26 CO 0.15 0.07 1.62 0.28 -0.33 0.00 0.00 177.00 178.79 2bps h VAL 27 N 3.09 0.10 -0.90 3.83 2.07 -1.46 0.75 116.25 123.72 2bps h VAL 27 Ca -0.47 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.12 2bps h VAL 27 Cb 1.22 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 2bps h VAL 27 CO 0.66 0.00 0.58 0.50 0.02 0.00 0.00 177.57 179.34 2bps h LYS 28 N 0.03 0.93 -0.86 1.57 3.64 -1.71 -2.84 116.57 117.33 2bps h LYS 28 Ca 0.85 -0.06 0.20 0.00 -1.27 0.00 0.00 60.65 60.38 2bps h LYS 28 Cb 3.17 -0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 34.66 2bps h LYS 28 CO -0.15 0.62 0.35 0.87 -2.27 0.00 0.00 179.45 178.86 2bps h LYS 29 N 0.96 0.38 -1.01 1.90 1.79 0.22 0.34 116.57 121.15 2bps h LYS 29 Ca 0.40 -0.02 0.25 0.00 -2.18 0.00 0.00 60.65 59.10 2bps h LYS 29 Cb 0.30 -0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 30.79 2bps h LYS 29 CO -0.16 0.25 0.66 0.28 -1.08 0.00 0.00 179.45 179.39 2bps h VAL 30 N 0.39 0.57 -0.14 0.50 2.07 -1.66 -1.06 116.25 116.92 2bps h VAL 30 Ca 0.52 -0.13 -0.21 0.00 0.82 0.00 0.00 66.70 67.70 2bps h VAL 30 Cb 0.95 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2bps h VAL 30 CO -0.51 0.07 -0.71 0.40 0.02 0.00 0.00 177.57 176.83 2bps h ILE 31 N 0.38 1.30 -0.02 4.57 2.04 -0.47 -0.06 117.51 125.25 2bps h ILE 31 Ca 0.56 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 2bps h ILE 31 Cb 1.44 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2bps h ILE 31 CO -0.24 0.61 0.01 0.44 0.00 0.00 0.00 178.15 178.96 2bps h ASP 32 N 0.43 0.02 -0.43 1.72 3.45 -1.09 -1.86 116.42 118.66 2bps h ASP 32 Ca -0.05 -0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.38 2bps h ASP 32 Cb 1.35 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.08 2bps h ASP 32 CO 0.15 0.07 0.23 0.40 -1.57 0.00 0.00 179.24 178.51 2bps h ILE 33 N -0.03 0.99 -0.56 0.35 2.04 -1.34 -1.91 117.51 117.05 2bps h ILE 33 Ca 0.01 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 65.82 2bps h ILE 33 Cb 0.05 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 36.54 2bps h ILE 33 CO -0.00 0.08 0.06 0.00 0.00 0.00 0.00 178.15 178.29 2bps h ALA 34 N 1.22 0.60 -0.18 1.87 0.00 -0.65 0.38 119.26 122.50 2bps h ALA 34 Ca 0.18 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2bps h ALA 34 Cb 0.07 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2bps h ALA 34 CO -0.11 -0.35 -0.39 -1.49 0.00 0.00 0.00 179.25 176.90 2bps h TRP 35 N 0.18 0.47 0.00 0.00 6.55 -0.85 -1.07 115.95 121.23 2bps h TRP 35 Ca 0.29 -0.13 -0.00 0.00 0.95 0.00 0.00 58.89 60.00 2bps h TRP 35 Cb 0.43 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.63 2bps h TRP 35 CO -0.29 0.74 -0.00 1.96 -1.05 0.00 0.00 178.44 179.80 2bps h GLN 36 N 0.33 -0.00 -0.42 0.49 4.20 -0.58 -3.33 115.11 115.79 2bps h GLN 36 Ca 0.03 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 2bps h GLN 36 Cb 0.84 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2bps h GLN 36 CO 0.07 0.39 -0.08 0.00 -0.67 0.00 0.00 178.83 178.54 2bps h ALA 37 N 0.61 0.58 -1.74 3.87 0.00 -0.90 -3.46 119.26 118.21 2bps h ALA 37 Ca -0.00 -0.31 -0.44 0.00 0.00 0.00 0.00 54.91 54.16 2bps h ALA 37 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bps h ALA 37 CO 0.00 0.44 -0.34 -0.65 0.00 0.00 0.00 179.25 178.70 2bps s GLN 38 N -4.84 3.02 -1.39 0.00 1.11 -0.41 -5.01 119.66 112.15 2bps s GLN 38 Ca -0.12 -1.09 -0.08 0.00 0.01 0.00 0.00 55.36 54.08 2bps s GLN 38 Cb 0.11 -2.77 0.08 0.00 -1.01 0.00 0.00 33.01 29.42 2bps s GLN 38 CO 0.82 0.01 2.40 0.43 0.01 0.00 0.00 175.29 178.96 2bps n SER 39 N -1.65 7.42 -4.62 5.90 7.64 -1.26 -4.79 113.62 122.27 2bps n SER 39 Ca 0.01 -3.00 -0.43 0.00 1.01 0.00 0.00 58.87 56.46 2bps n SER 39 Cb 0.58 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 2bps n SER 39 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bps s VAL 40 N 0.06 4.05 0.00 0.44 1.01 -1.26 -4.94 120.40 119.76 2bps s VAL 40 Ca 0.54 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2bps s VAL 40 Cb 0.16 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2bps s VAL 40 CO -0.07 -0.59 0.17 -1.20 0.00 0.00 0.00 175.10 173.41 2bps n SER 41 N 8.05 0.00 -4.64 3.32 7.64 -1.26 -4.80 113.62 121.93 2bps n SER 41 Ca 0.15 0.17 -0.31 0.00 1.01 0.00 0.00 58.87 59.89 2bps n SER 41 Cb 0.47 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.86 2bps n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bps s MET 42 N -0.33 0.62 0.80 1.43 0.23 -1.26 -5.01 119.30 115.78 2bps s MET 42 Ca 0.00 1.46 -0.12 0.00 -1.03 0.00 0.00 55.69 56.00 2bps s MET 42 Cb 0.00 -1.69 0.07 0.00 -1.53 0.00 0.00 34.83 31.69 2bps s MET 42 CO 0.00 -2.87 1.15 -1.25 -2.03 0.00 0.00 175.02 170.02 2bps s PRO 43 N -4.60 2.04 0.13 3.16 0.04 -1.26 -5.01 135.00 129.50 2bps s PRO 43 Ca 0.67 0.23 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2bps s PRO 43 Cb -0.23 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 2bps s PRO 43 CO 0.59 -1.56 1.17 -1.25 0.04 0.00 0.00 177.00 175.99 2bps s PRO 44 N -5.48 4.49 0.30 0.56 0.04 -1.26 -4.97 135.00 128.68 2bps s PRO 44 Ca 0.61 1.78 -0.27 0.00 0.04 0.00 0.00 61.00 63.17 2bps s PRO 44 Cb -0.12 -3.30 -0.14 0.00 0.04 0.00 0.00 34.50 30.98 2bps s PRO 44 CO 0.50 -0.12 0.82 -2.13 0.04 0.00 0.00 177.00 176.11 2bps n ARG 45 N 3.12 0.91 -1.98 4.56 0.63 -1.26 -4.89 116.66 117.75 2bps n ARG 45 Ca 0.06 0.32 -0.39 0.00 -0.92 0.00 0.00 57.85 56.92 2bps n ARG 45 Cb 0.46 -1.60 0.01 0.00 0.45 0.00 0.00 32.46 31.78 2bps n ARG 45 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2bps s GLU 46 N -1.45 3.65 -0.04 -0.14 2.02 -1.26 -4.38 118.70 117.10 2bps s GLU 46 Ca 0.61 2.13 -0.03 0.00 0.02 0.00 0.00 54.97 57.70 2bps s GLU 46 Cb -0.73 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 30.99 2bps s GLU 46 CO 0.59 -0.75 0.06 0.41 0.02 0.00 0.00 175.26 175.58 2bps n GLY 47 N 0.62 -3.85 3.17 -1.39 0.00 -1.26 -4.77 105.19 97.71 2bps n GLY 47 Ca 0.07 0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2bps n GLY 47 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2bps n HIS 48 N 0.64 3.62 -3.22 1.61 -0.00 -1.26 -4.95 115.22 111.66 2bps n HIS 48 Ca -0.10 -2.61 -0.34 0.00 -0.00 0.00 0.00 57.72 54.68 2bps n HIS 48 Cb 0.15 -2.48 -0.06 0.00 -0.00 0.00 0.00 29.99 27.60 2bps n HIS 48 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2bps s TRP 49 N 4.67 3.52 0.01 4.41 0.52 -1.26 0.43 118.94 131.23 2bps s TRP 49 Ca 0.53 1.19 -0.00 0.00 0.02 0.00 0.00 56.10 57.84 2bps s TRP 49 Cb 0.09 -2.48 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 2bps s TRP 49 CO 0.02 0.27 -0.01 0.42 0.02 0.00 0.00 176.95 177.68 2bps s ILE 50 N -1.69 0.05 -0.19 2.03 1.01 -0.73 -2.46 121.20 119.22 2bps s ILE 50 Ca 0.46 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 2bps s ILE 50 Cb -0.14 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.20 2bps s ILE 50 CO 0.19 -0.21 -0.04 -0.60 0.00 0.00 0.00 174.94 174.28 2bps s ARG 51 N -0.62 3.48 -0.69 2.79 3.52 -0.22 -0.64 118.95 126.57 2bps s ARG 51 Ca -0.07 -0.59 -0.20 0.00 -0.13 0.00 0.00 55.73 54.74 2bps s ARG 51 Cb -0.04 -2.96 0.10 0.00 -1.56 0.00 0.00 34.95 30.49 2bps s ARG 51 CO -0.00 -0.03 0.88 0.08 -0.81 0.00 0.00 175.30 175.42 2bps s VAL 52 N 1.05 4.68 0.05 7.11 1.01 0.16 -0.39 120.40 134.07 2bps s VAL 52 Ca 0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 2bps s VAL 52 Cb -0.15 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.59 2bps s VAL 52 CO 0.00 -1.31 1.19 0.58 0.00 0.00 0.00 175.10 175.56 2bps h VAL 53 N 5.86 0.00 0.00 2.92 2.07 -1.41 -1.19 116.25 124.51 2bps h VAL 53 Ca -0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2bps h VAL 53 Cb 1.07 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2bps h VAL 53 CO 1.11 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 178.24 2bps n ASN 54 N -3.75 0.00 0.00 0.57 0.23 -1.26 -0.99 115.26 110.06 2bps n ASN 54 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2bps n ASN 54 Cb 0.10 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 2bps n ASN 54 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2bps n LYS 55 N -0.75 -0.29 -4.05 -3.83 5.02 -0.51 -5.02 118.16 108.73 2bps n LYS 55 Ca 0.00 -0.30 -0.28 0.00 -2.02 0.00 0.00 58.31 55.71 2bps n LYS 55 Cb 0.00 -0.74 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 2bps n LYS 55 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bps n ASP 56 N -0.02 -0.51 -3.89 4.39 8.00 -0.16 -4.95 116.55 119.39 2bps n ASP 56 Ca 0.00 -1.05 -0.11 0.00 0.71 0.00 0.00 54.79 54.34 2bps n ASP 56 Cb 0.16 -2.79 -0.12 0.00 -0.02 0.00 0.00 41.12 38.35 2bps n ASP 56 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2bps s LYS 57 N -6.73 0.22 -0.07 -1.24 2.20 -1.20 -5.01 119.74 107.91 2bps s LYS 57 Ca 0.10 -0.22 0.03 0.00 -0.36 0.00 0.00 55.97 55.52 2bps s LYS 57 Cb -0.06 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2bps s LYS 57 CO 0.91 -0.04 -0.15 0.08 -0.36 0.00 0.00 175.35 175.79 2bps s VAL 58 N -0.69 2.97 0.16 4.02 1.01 -1.26 0.39 120.40 127.00 2bps s VAL 58 Ca -0.08 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.24 2bps s VAL 58 Cb -0.05 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2bps s VAL 58 CO 0.00 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.14 2bps s PHE 59 N -0.46 1.73 0.53 5.22 0.40 0.19 -4.97 117.98 120.63 2bps s PHE 59 Ca 0.06 -0.49 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 2bps s PHE 59 Cb -0.12 -0.87 -0.07 0.00 0.51 0.00 0.00 43.02 42.47 2bps s PHE 59 CO 0.02 0.29 1.03 -1.12 0.70 0.00 0.00 175.22 176.13 2bps s SER 60 N -2.62 6.23 0.47 1.36 0.01 -1.26 -1.77 113.70 116.11 2bps s SER 60 Ca 0.14 1.77 0.31 0.00 1.31 0.00 0.00 55.95 59.49 2bps s SER 60 Cb -0.05 -2.53 1.27 0.00 0.21 0.00 0.00 66.02 64.91 2bps s SER 60 CO 0.06 -0.86 1.91 1.23 0.41 0.00 0.00 173.24 175.99 2bps h GLY 61 N 0.96 0.00 0.59 3.44 0.00 -0.38 -2.47 103.07 105.21 2bps h GLY 61 Ca -0.48 0.00 0.05 0.00 0.00 0.00 0.00 47.33 46.90 2bps h GLY 61 CO 0.59 0.00 0.02 0.83 0.00 0.00 0.00 176.54 177.98 2bps h GLU 62 N 0.00 0.10 -5.96 4.80 5.08 -1.91 -2.53 114.58 114.16 2bps h GLU 62 Ca 0.00 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2bps h GLU 62 Cb 0.46 -0.02 0.11 0.00 0.50 0.00 0.00 28.75 29.80 2bps h GLU 62 CO 0.00 0.07 -0.20 0.00 -1.00 0.00 0.00 179.01 177.88 2bps s LYS 64 N -3.43 2.50 0.00 0.00 2.20 -1.26 -2.13 119.74 117.62 2bps s LYS 64 Ca 0.33 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 2bps s LYS 64 Cb -0.06 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2bps s LYS 64 CO 0.30 -0.35 0.44 1.28 -0.36 0.00 0.00 175.35 176.65 2bps n LEU 65 N 4.60 0.00 -0.24 5.43 4.77 -0.43 -0.17 117.00 130.96 2bps n LEU 65 Ca -0.17 0.44 0.19 0.00 -0.03 0.00 0.00 56.01 56.43 2bps n LEU 65 Cb 0.47 -0.21 0.35 0.00 -2.33 0.00 0.00 43.42 41.71 2bps n LEU 65 CO 0.23 -0.21 0.71 -1.54 -1.33 0.00 0.00 177.39 175.25 2bps n SER 66 N -2.30 0.13 -0.07 -1.43 3.41 0.05 0.21 113.62 113.62 2bps n SER 66 Ca 0.00 1.24 -0.15 0.00 -0.26 0.00 0.00 58.87 59.69 2bps n SER 66 Cb 0.00 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 2bps n SER 66 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2bps h ASP 67 N 0.00 0.98 0.00 4.04 3.32 -0.85 -2.91 116.42 120.99 2bps h ASP 67 Ca 0.56 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2bps h ASP 67 Cb 1.38 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2bps h ASP 67 CO -0.62 1.35 0.00 0.00 -1.72 0.00 0.00 179.24 178.26 2bps n GLY 69 N -0.37 0.87 3.63 0.00 0.00 -1.10 -4.92 105.19 103.30 2bps n GLY 69 Ca 0.05 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2bps n GLY 69 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bps s ILE 70 N -1.82 4.48 0.00 -0.61 -4.36 -1.25 -4.97 121.20 112.67 2bps s ILE 70 Ca 0.00 1.59 0.00 0.00 -0.26 0.00 0.00 60.65 61.98 2bps s ILE 70 Cb 0.00 -4.43 0.00 0.00 1.25 0.00 0.00 42.46 39.28 2bps s ILE 70 CO 0.00 -0.55 0.00 0.35 0.24 0.00 0.00 174.94 174.98 2bps n THR 71 N 6.01 0.00 -2.41 8.37 -2.24 -1.26 -4.63 114.28 118.12 2bps n THR 71 Ca 0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 2bps n THR 71 Cb 0.47 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 2bps n THR 71 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2bps s ASN 72 N 0.53 6.41 0.00 3.42 -0.87 -1.26 -3.42 114.94 119.75 2bps s ASN 72 Ca 0.00 1.72 0.00 0.00 -1.57 0.00 0.00 52.86 53.01 2bps s ASN 72 Cb 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.70 2bps s ASN 72 CO 0.00 -0.73 0.00 0.61 -2.57 0.00 0.00 177.10 174.41 2bps n GLY 73 N -1.01 2.71 3.66 0.66 0.00 -0.67 -4.99 105.19 105.54 2bps n GLY 73 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2bps n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bps n ASP 74 N 0.62 2.03 -4.14 1.61 9.92 -1.22 -4.76 116.55 120.61 2bps n ASP 74 Ca 0.00 1.10 -0.33 0.00 -0.53 0.00 0.00 54.79 55.03 2bps n ASP 74 Cb 0.00 -1.43 -0.15 0.00 -0.64 0.00 0.00 41.12 38.90 2bps n ASP 74 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2bps s ARG 75 N -2.04 2.79 -0.24 -1.24 3.52 -1.26 -1.70 118.95 118.77 2bps s ARG 75 Ca 0.61 -0.99 -0.11 0.00 -0.13 0.00 0.00 55.73 55.11 2bps s ARG 75 Cb -0.55 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.99 2bps s ARG 75 CO 0.58 -0.35 0.20 -0.51 -0.81 0.00 0.00 175.30 174.41 2bps s LEU 76 N 1.27 4.10 -0.32 -0.88 1.43 0.59 -1.15 118.68 123.71 2bps s LEU 76 Ca 0.00 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 2bps s LEU 76 Cb -0.16 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2bps s LEU 76 CO -0.08 0.02 0.22 -0.70 0.23 0.00 0.00 176.35 176.04 2bps s GLU 77 N 1.25 3.65 -0.06 1.70 2.12 0.47 -0.12 118.70 127.71 2bps s GLU 77 Ca 0.09 -0.53 -0.26 0.00 0.36 0.00 0.00 54.97 54.63 2bps s GLU 77 Cb -0.14 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 2bps s GLU 77 CO 0.06 -0.35 0.83 0.42 -0.54 0.00 0.00 175.26 175.68 2bps s ILE 78 N 1.73 4.95 -2.00 -3.70 1.01 -1.11 -1.05 121.20 121.03 2bps s ILE 78 Ca 0.06 1.71 0.31 0.00 0.00 0.00 0.00 60.65 62.73 2bps s ILE 78 Cb -0.17 -4.16 0.89 0.00 0.01 0.00 0.00 42.46 39.03 2bps s ILE 78 CO 0.10 0.17 2.18 0.18 0.00 0.00 0.00 174.94 177.58