#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3koc s ARG 2 N 0.00 0.99 -0.08 2.12 0.52 0.21 -2.01 118.95 120.69 3koc s ARG 2 Ca 0.00 -0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.41 3koc s ARG 2 Cb 0.00 -1.01 0.04 0.00 0.52 0.00 0.00 34.95 34.51 3koc s ARG 2 CO 0.00 0.25 0.19 0.54 0.02 0.00 0.00 175.30 176.30 3koc s VAL 3 N -0.82 -0.05 -0.21 3.52 0.11 -0.79 0.95 120.40 123.11 3koc s VAL 3 Ca 0.02 0.17 -0.06 0.00 -2.93 0.00 0.00 61.98 59.18 3koc s VAL 3 Cb -0.08 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 3koc s VAL 3 CO 0.01 0.07 0.03 -0.69 -3.33 0.00 0.00 175.10 171.20 3koc s VAL 4 N 1.23 4.21 -0.17 2.04 1.01 -0.06 -2.02 120.40 126.64 3koc s VAL 4 Ca -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3koc s VAL 4 Cb -0.11 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 3koc s VAL 4 CO -0.07 0.40 -0.11 -0.63 0.00 0.00 0.00 175.10 174.69 3koc s ILE 5 N 1.10 2.99 -0.06 2.22 1.01 0.23 -0.01 121.20 128.68 3koc s ILE 5 Ca 0.03 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.08 3koc s ILE 5 Cb -0.14 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3koc s ILE 5 CO 0.02 0.49 -0.21 -1.10 0.00 0.00 0.00 174.94 174.14 3koc s GLN 6 N 0.89 2.27 -0.14 2.79 -0.21 -0.52 0.23 119.66 124.97 3koc s GLN 6 Ca -0.03 -0.76 -0.29 0.00 0.02 0.00 0.00 55.36 54.30 3koc s GLN 6 Cb -0.15 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 31.95 3koc s GLN 6 CO -0.00 0.29 1.16 0.50 -2.12 0.00 0.00 175.29 175.12 3koc s ARG 7 N 0.02 4.29 0.06 2.91 3.52 -0.63 -1.57 118.95 127.55 3koc s ARG 7 Ca -0.06 1.56 0.08 0.00 -0.13 0.00 0.00 55.73 57.18 3koc s ARG 7 Cb -0.13 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 3koc s ARG 7 CO 0.04 -0.57 -0.19 0.14 -0.81 0.00 0.00 175.30 173.91 3koc s VAL 8 N 2.90 2.72 -0.66 7.11 -7.23 -0.94 -0.68 120.40 123.61 3koc s VAL 8 Ca 0.52 -1.27 0.24 0.00 -1.81 0.00 0.00 61.98 59.66 3koc s VAL 8 Cb -0.20 -2.15 0.04 0.00 0.56 0.00 0.00 36.38 34.62 3koc s VAL 8 CO 0.15 0.30 1.32 0.29 -0.31 0.00 0.00 175.10 176.85 3koc n LYS 9 N 1.44 0.27 0.00 4.82 5.02 -0.53 -2.06 118.16 127.12 3koc n LYS 9 Ca -0.16 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3koc n LYS 9 Cb 0.52 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3koc n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3koc n GLY 10 N 1.35 0.37 3.15 0.72 0.00 -0.40 -2.83 105.19 107.56 3koc n GLY 10 Ca 0.03 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.26 3koc n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3koc s ALA 11 N -2.00 -2.99 0.28 4.61 0.00 -0.87 -1.94 121.76 118.85 3koc s ALA 11 Ca 0.00 1.57 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 3koc s ALA 11 Cb 0.00 -2.40 -0.09 0.00 0.00 0.00 0.00 23.12 20.63 3koc s ALA 11 CO 0.00 -1.46 0.92 0.42 0.00 0.00 0.00 175.76 175.65 3koc s ILE 12 N 2.91 4.19 -0.19 0.00 1.01 -0.69 -1.91 121.20 126.52 3koc s ILE 12 Ca 0.09 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 62.61 3koc s ILE 12 Cb -0.12 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.30 3koc s ILE 12 CO -0.16 0.28 -0.01 -0.22 0.00 0.00 0.00 174.94 174.83 3koc s LEU 13 N -1.73 1.61 -0.04 2.97 0.20 -0.48 -1.90 118.68 119.30 3koc s LEU 13 Ca 0.46 -0.85 0.07 0.00 0.69 0.00 0.00 54.13 54.50 3koc s LEU 13 Cb -0.21 -0.81 -0.01 0.00 -0.43 0.00 0.00 46.19 44.73 3koc s LEU 13 CO 0.26 -0.26 -0.25 -0.44 -0.29 0.00 0.00 176.35 175.38 3koc s SER 14 N 1.69 2.99 0.01 3.68 0.01 0.71 0.73 113.70 123.53 3koc s SER 14 Ca -0.02 -0.48 0.23 0.00 1.31 0.00 0.00 55.95 56.99 3koc s SER 14 Cb -0.17 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.45 3koc s SER 14 CO -0.07 0.27 1.03 1.33 0.41 0.00 0.00 173.24 176.20 3koc n VAL 15 N 2.75 0.05 -1.47 3.43 0.24 -1.26 0.83 118.33 122.90 3koc n VAL 15 Ca -0.17 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3koc n VAL 15 Cb 0.52 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 3koc n VAL 15 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3koc n GLU 28 N -1.67 -1.11 -1.53 7.34 0.28 -1.26 -4.90 120.64 117.79 3koc n GLU 28 Ca 0.03 0.81 -0.49 0.00 -0.16 0.00 0.00 57.16 57.35 3koc n GLU 28 Cb 0.37 -1.29 -0.04 0.00 1.43 0.00 0.00 31.44 31.92 3koc n GLU 28 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3koc n ILE 29 N 0.10 1.34 0.00 3.84 5.41 -1.26 -4.95 119.36 123.84 3koc n ILE 29 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.41 3koc n ILE 29 Cb 0.00 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.33 3koc n ILE 29 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3koc n ILE 30 N 0.83 0.00 -3.40 1.39 -6.64 0.22 -4.90 119.36 106.85 3koc n ILE 30 Ca 0.15 0.00 -0.21 0.00 -1.77 0.00 0.00 62.75 60.92 3koc n ILE 30 Cb 0.25 -0.42 -0.00 0.00 -1.44 0.00 0.00 39.64 38.03 3koc n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3koc s SER 31 N -2.88 6.02 -0.27 7.28 0.01 -1.02 -4.97 113.70 117.87 3koc s SER 31 Ca 0.00 0.05 -0.24 0.00 1.31 0.00 0.00 55.95 57.07 3koc s SER 31 Cb 0.00 -1.50 0.09 0.00 0.21 0.00 0.00 66.02 64.82 3koc s SER 31 CO 0.00 -0.44 0.83 -0.70 0.41 0.00 0.00 173.24 173.34 3koc s GLU 32 N -4.26 0.71 0.27 12.44 2.12 -1.26 -1.39 118.70 127.33 3koc s GLU 32 Ca 0.44 0.87 0.02 0.00 0.36 0.00 0.00 54.97 56.66 3koc s GLU 32 Cb -0.10 0.34 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 3koc s GLU 32 CO 0.33 -0.09 0.07 0.96 -0.54 0.00 0.00 175.26 175.99 3koc s ILE 33 N 0.41 0.81 0.00 -3.70 -4.36 -0.80 -4.95 121.20 108.60 3koc s ILE 33 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3koc s ILE 33 Cb -0.05 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 41.03 3koc s ILE 33 CO -0.03 -0.06 0.00 2.29 0.24 0.00 0.00 174.94 177.38 3koc n LYS 34 N -0.52 0.00 -2.32 0.37 -0.00 -1.26 -2.06 118.16 112.37 3koc n LYS 34 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.89 3koc n LYS 34 Cb 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.66 3koc n LYS 34 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3koc s ASN 35 N -0.28 6.99 0.00 -5.58 0.01 -1.13 -1.27 114.94 113.69 3koc s ASN 35 Ca 0.00 2.43 0.00 0.00 -0.71 0.00 0.00 52.86 54.58 3koc s ASN 35 Cb 0.00 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.03 3koc s ASN 35 CO 0.00 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 175.85 3koc n GLY 36 N 0.97 -0.29 2.82 0.66 0.00 -0.87 -2.42 105.19 106.05 3koc n GLY 36 Ca -0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 3koc n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3koc s LEU 37 N 0.00 0.87 -0.20 0.99 1.43 -0.21 -2.21 118.68 119.34 3koc s LEU 37 Ca 0.00 0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 3koc s LEU 37 Cb 0.00 0.09 -0.04 0.00 0.03 0.00 0.00 46.19 46.27 3koc s LEU 37 CO 0.00 -0.15 0.46 -0.51 0.23 0.00 0.00 176.35 176.38 3koc s ILE 38 N 1.20 5.15 -0.22 -0.59 2.07 -0.61 0.20 121.20 128.41 3koc s ILE 38 Ca -0.08 0.82 0.00 0.00 -1.41 0.00 0.00 60.65 59.98 3koc s ILE 38 Cb -0.12 -3.78 0.03 0.00 0.13 0.00 0.00 42.46 38.71 3koc s ILE 38 CO -0.04 0.21 -0.13 0.00 -1.91 0.00 0.00 174.94 173.07 3koc s PHE 40 N 1.29 3.23 -0.30 0.00 0.08 0.99 -0.25 117.98 123.01 3koc s PHE 40 Ca 0.01 0.18 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 3koc s PHE 40 Cb -0.15 -2.53 0.04 0.00 -0.57 0.00 0.00 43.02 39.81 3koc s PHE 40 CO -0.08 -0.26 0.02 -1.17 -0.10 0.00 0.00 175.22 173.63 3koc s LEU 41 N 1.94 3.94 -0.08 -0.37 0.20 0.33 -0.89 118.68 123.75 3koc s LEU 41 Ca 0.11 -1.17 -0.16 0.00 0.69 0.00 0.00 54.13 53.60 3koc s LEU 41 Cb -0.16 -1.76 -0.05 0.00 -0.43 0.00 0.00 46.19 43.79 3koc s LEU 41 CO 0.11 -0.26 0.42 -0.83 -0.29 0.00 0.00 176.35 175.50 3koc s GLY 42 N 1.31 2.40 -0.62 7.98 0.00 0.27 -0.95 107.32 117.72 3koc s GLY 42 Ca -0.03 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.47 3koc s GLY 42 CO -0.00 0.48 0.40 -0.42 0.00 0.00 0.00 173.10 173.55 3koc s ILE 43 N -0.07 3.05 0.57 0.90 1.09 -1.26 -0.62 121.20 124.86 3koc s ILE 43 Ca 0.24 -3.52 -0.19 0.00 -1.10 0.00 0.00 60.65 56.08 3koc s ILE 43 Cb -0.15 -3.04 -0.07 0.00 -1.06 0.00 0.00 42.46 38.14 3koc s ILE 43 CO 0.11 -0.89 0.81 1.57 -0.10 0.00 0.00 174.94 176.43 3koc n HIS 44 N 2.85 0.30 0.21 3.97 -0.00 -1.26 0.79 115.22 122.08 3koc n HIS 44 Ca 0.10 0.45 0.08 0.00 0.46 0.00 0.00 57.72 58.81 3koc n HIS 44 Cb 0.34 -2.08 0.41 0.00 -0.12 0.00 0.00 29.99 28.55 3koc n HIS 44 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 3koc h LYS 45 N 0.49 0.00 -0.37 1.57 -0.00 -1.73 -2.65 116.57 113.87 3koc h LYS 45 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 3koc h LYS 45 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.61 3koc h LYS 45 CO 0.50 0.29 0.00 0.09 -0.00 0.00 0.00 179.45 180.33 3koc n ASN 46 N -3.47 2.32 -4.71 7.07 3.02 -1.26 -4.88 115.26 113.35 3koc n ASN 46 Ca -0.00 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 3koc n ASN 46 Cb 0.46 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3koc n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3koc s ASP 47 N -1.19 6.45 0.54 6.41 1.01 -1.00 -5.01 116.67 123.87 3koc s ASP 47 Ca 0.31 2.77 0.04 0.00 0.71 0.00 0.00 52.55 56.39 3koc s ASP 47 Cb 0.17 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.55 3koc s ASP 47 CO 0.23 -0.94 0.75 0.42 0.21 0.00 0.00 175.17 175.84 3koc s THR 48 N 1.50 2.63 0.41 -1.27 -4.23 -1.26 -4.99 115.64 108.43 3koc s THR 48 Ca 0.75 -0.79 0.34 0.00 -1.18 0.00 0.00 61.69 60.81 3koc s THR 48 Cb -0.47 -2.85 0.36 0.00 1.34 0.00 0.00 72.50 70.88 3koc s THR 48 CO 0.33 0.00 2.13 -0.25 -0.54 0.00 0.00 174.62 176.29 3koc h TRP 49 N 0.16 0.00 -0.01 3.99 2.91 -2.00 -3.04 115.95 117.97 3koc h TRP 49 Ca -0.39 0.00 0.02 0.00 1.13 0.00 0.00 58.89 59.64 3koc h TRP 49 Cb 1.29 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.90 3koc h TRP 49 CO 0.31 0.06 -0.39 0.93 -1.03 0.00 0.00 178.44 178.31 3koc h GLU 50 N 0.00 -0.47 0.06 2.65 4.39 -1.99 0.20 114.58 119.42 3koc h GLU 50 Ca -0.00 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.76 3koc h GLU 50 Cb 0.29 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 3koc h GLU 50 CO 0.01 -0.31 -0.28 -0.44 -1.16 0.00 0.00 179.01 176.82 3koc h ASP 51 N -0.49 -0.83 -0.87 1.42 3.32 -1.93 0.22 116.42 117.26 3koc h ASP 51 Ca 0.01 0.10 0.15 0.00 0.02 0.00 0.00 57.03 57.32 3koc h ASP 51 Cb 0.53 0.32 -0.15 0.00 0.22 0.00 0.00 39.33 40.25 3koc h ASP 51 CO -0.27 -0.36 -0.31 0.00 -1.72 0.00 0.00 179.24 176.58 3koc h ALA 52 N 0.28 0.29 -0.36 3.45 0.00 -1.42 0.85 119.26 122.34 3koc h ALA 52 Ca 0.05 0.28 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 3koc h ALA 52 Cb 0.52 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3koc h ALA 52 CO -0.20 -0.54 -0.24 1.25 0.00 0.00 0.00 179.25 179.51 3koc h LEU 53 N -0.03 0.84 -0.38 0.00 5.85 -0.12 0.16 115.31 121.62 3koc h LEU 53 Ca 0.36 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3koc h LEU 53 Cb 0.61 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 3koc h LEU 53 CO -0.90 1.09 -0.01 0.22 -0.34 0.00 0.00 178.44 178.50 3koc h TYR 54 N 0.59 -0.05 0.40 1.25 3.20 0.76 0.43 116.97 123.55 3koc h TYR 54 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3koc h TYR 54 Cb 0.81 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.14 3koc h TYR 54 CO 0.06 -0.09 -0.31 0.82 -1.64 0.00 0.00 178.16 177.01 3koc h ILE 55 N 0.09 0.36 -0.44 1.81 1.08 -0.53 -0.20 117.51 119.67 3koc h ILE 55 Ca 0.19 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.75 3koc h ILE 55 Cb 0.27 0.36 -0.10 0.00 -3.07 0.00 0.00 36.82 34.28 3koc h ILE 55 CO -0.32 0.00 -0.28 0.40 -0.69 0.00 0.00 178.15 177.25 3koc h ILE 56 N -0.70 0.28 -0.04 -0.67 2.04 -0.13 0.03 117.51 118.31 3koc h ILE 56 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.86 3koc h ILE 56 Cb 0.61 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3koc h ILE 56 CO -0.00 0.00 -0.18 -0.09 0.00 0.00 0.00 178.15 177.88 3koc h ARG 57 N -0.19 -0.26 -0.72 2.37 2.43 0.04 -2.74 114.38 115.31 3koc h ARG 57 Ca 0.20 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 3koc h ARG 57 Cb 0.51 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3koc h ARG 57 CO -0.55 -0.17 0.34 0.87 -1.51 0.00 0.00 179.97 178.94 3koc h LYS 58 N -0.27 1.03 0.45 0.20 1.79 -0.18 -2.05 116.57 117.53 3koc h LYS 58 Ca 0.07 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 3koc h LYS 58 Cb 0.36 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 3koc h LYS 58 CO -0.20 0.80 -0.22 0.00 -1.08 0.00 0.00 179.45 178.75 3koc h LEU 60 N -0.66 0.21 -0.39 0.00 3.38 -1.31 -3.30 115.31 113.23 3koc h LEU 60 Ca -0.06 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3koc h LEU 60 Cb 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3koc h LEU 60 CO 0.10 0.31 -0.35 0.59 0.09 0.00 0.00 178.44 179.18 3koc n ASN 61 N -4.34 0.89 -4.67 -0.43 4.13 -0.79 -3.80 115.26 106.24 3koc n ASN 61 Ca -0.01 -0.94 -0.42 0.00 1.68 0.00 0.00 54.58 54.89 3koc n ASN 61 Cb 0.21 0.73 -0.03 0.00 -1.54 0.00 0.00 39.78 39.15 3koc n ASN 61 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3koc s LEU 62 N -2.07 4.35 -0.90 3.41 1.43 -0.61 -4.83 118.68 119.45 3koc s LEU 62 Ca 0.07 2.35 -0.24 0.00 -1.03 0.00 0.00 54.13 55.28 3koc s LEU 62 Cb 0.08 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.80 3koc s LEU 62 CO 0.35 -0.90 1.35 -0.13 0.23 0.00 0.00 176.35 177.25 3koc s ARG 63 N 3.33 3.42 -0.00 1.70 0.52 -1.26 -4.47 118.95 122.19 3koc s ARG 63 Ca 0.74 -0.82 0.01 0.00 -0.52 0.00 0.00 55.73 55.14 3koc s ARG 63 Cb -0.36 -4.85 -0.02 0.00 0.52 0.00 0.00 34.95 30.23 3koc s ARG 63 CO 0.31 -2.15 0.04 1.28 0.02 0.00 0.00 175.30 174.81 3koc n LEU 64 N 8.89 0.03 -4.65 2.53 4.77 -1.01 -4.14 117.00 123.41 3koc n LEU 64 Ca 0.20 -0.24 -0.35 0.00 -0.03 0.00 0.00 56.01 55.59 3koc n LEU 64 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3koc n LEU 64 CO 0.67 0.01 -0.26 0.26 -1.33 0.00 0.00 177.39 176.73 3koc s TRP 65 N -1.63 3.25 -0.28 -1.77 0.51 -0.55 -4.70 118.94 113.77 3koc s TRP 65 Ca -0.00 0.10 -0.29 0.00 -2.12 0.00 0.00 56.10 53.79 3koc s TRP 65 Cb 0.01 -2.00 0.01 0.00 -0.81 0.00 0.00 33.47 30.68 3koc s TRP 65 CO 0.05 0.25 1.17 -0.80 -0.51 0.00 0.00 176.95 177.11 3koc s ASN 66 N 0.00 6.87 -1.05 2.95 0.02 -1.26 -1.49 114.94 120.98 3koc s ASN 66 Ca 0.05 1.22 -0.23 0.00 -1.02 0.00 0.00 52.86 52.89 3koc s ASN 66 Cb -0.12 -2.54 0.05 0.00 0.02 0.00 0.00 41.25 38.65 3koc s ASN 66 CO 0.01 -0.91 1.51 0.21 0.02 0.00 0.00 177.10 177.95 3koc s ASN 67 N 2.00 6.45 0.00 -1.22 2.47 -0.89 -4.71 114.94 119.04 3koc s ASN 67 Ca 0.50 -1.52 0.00 0.00 0.42 0.00 0.00 52.86 52.26 3koc s ASN 67 Cb -0.15 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 3koc s ASN 67 CO 0.17 -1.55 0.00 -0.67 -3.72 0.00 0.00 177.10 171.32 3koc n ASP 68 N 9.16 0.00 0.00 -4.21 2.03 -1.26 -2.75 116.55 119.51 3koc n ASP 68 Ca 0.35 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.66 3koc n ASP 68 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 3koc n ASP 68 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3koc n ASN 69 N 0.28 0.00 -4.69 1.67 4.05 -1.26 -5.12 115.26 110.18 3koc n ASN 69 Ca 0.00 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.63 3koc n ASN 69 Cb 0.00 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 40.96 3koc n ASN 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3koc s LYS 70 N 0.00 4.32 0.40 1.20 1.02 -1.11 -5.04 119.74 120.52 3koc s LYS 70 Ca 0.00 0.70 -0.27 0.00 0.02 0.00 0.00 55.97 56.42 3koc s LYS 70 Cb 0.00 -3.51 -0.09 0.00 -0.52 0.00 0.00 37.83 33.71 3koc s LYS 70 CO 0.00 -0.07 1.38 0.95 -0.92 0.00 0.00 175.35 176.69 3koc s THR 71 N 1.30 2.36 -1.19 2.17 -4.23 -1.26 -2.10 115.64 112.69 3koc s THR 71 Ca 0.32 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 61.16 3koc s THR 71 Cb -0.16 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.46 3koc s THR 71 CO 0.13 0.06 0.96 0.79 -0.54 0.00 0.00 174.62 176.03 3koc n TRP 72 N 0.23 -2.20 -0.06 3.99 7.02 -1.26 -4.92 117.44 120.24 3koc n TRP 72 Ca 0.03 0.92 -0.07 0.00 -1.02 0.00 0.00 57.50 57.36 3koc n TRP 72 Cb 0.42 -4.90 -0.02 0.00 -2.42 0.00 0.00 31.31 24.38 3koc n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3koc n ASP 73 N -3.13 1.68 -4.81 -0.99 4.64 -1.13 -4.69 116.55 108.11 3koc n ASP 73 Ca -0.26 0.27 -0.28 0.00 -1.38 0.00 0.00 54.79 53.15 3koc n ASP 73 Cb 0.66 -0.64 -0.05 0.00 -1.04 0.00 0.00 41.12 40.05 3koc n ASP 73 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3koc s LYS 74 N -2.63 2.96 0.00 -0.67 -0.14 -0.56 -4.80 119.74 113.90 3koc s LYS 74 Ca -0.22 -0.78 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 3koc s LYS 74 Cb 0.03 -2.71 0.00 0.00 -1.68 0.00 0.00 37.83 33.47 3koc s LYS 74 CO 0.32 0.51 0.00 0.27 -0.76 0.00 0.00 175.35 175.69 3koc n ASN 75 N -0.12 1.51 -0.05 2.83 0.23 -1.26 -1.47 115.26 116.93 3koc n ASN 75 Ca -0.08 -0.29 -0.11 0.00 -0.53 0.00 0.00 54.58 53.56 3koc n ASN 75 Cb 0.54 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.18 3koc n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3koc h VAL 76 N 0.22 1.20 -0.01 3.53 2.07 -1.78 -2.69 116.25 118.79 3koc h VAL 76 Ca 0.00 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3koc h VAL 76 Cb 0.00 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3koc h VAL 76 CO 0.00 0.19 -0.01 0.11 0.02 0.00 0.00 177.57 177.88 3koc h LYS 77 N 0.08 0.02 -0.99 1.57 1.57 -1.89 0.06 116.57 116.99 3koc h LYS 77 Ca 0.05 -0.01 0.29 0.00 -1.87 0.00 0.00 60.65 59.11 3koc h LYS 77 Cb 0.25 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.38 3koc h LYS 77 CO -0.00 0.50 0.08 -0.44 -0.57 0.00 0.00 179.45 179.02 3koc h ASP 78 N -0.46 -0.39 -0.56 0.86 5.19 -1.89 0.39 116.42 119.56 3koc h ASP 78 Ca 0.00 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 3koc h ASP 78 Cb 0.50 0.46 0.00 0.00 0.18 0.00 0.00 39.33 40.47 3koc h ASP 78 CO 0.00 -0.36 0.00 0.18 -3.12 0.00 0.00 179.24 175.94 3koc n LEU 79 N -5.46 3.67 -3.33 1.55 4.77 -1.02 -4.98 117.00 112.19 3koc n LEU 79 Ca 0.25 -1.80 -0.12 0.00 -0.03 0.00 0.00 56.01 54.31 3koc n LEU 79 Cb 0.82 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3koc n LEU 79 CO -0.06 0.87 0.07 0.59 -1.33 0.00 0.00 177.39 177.53 3koc n ASN 80 N 1.49 -6.63 -4.40 -1.43 4.13 0.14 -5.03 115.26 103.53 3koc n ASN 80 Ca 0.21 -0.34 -0.28 0.00 1.68 0.00 0.00 54.58 55.85 3koc n ASN 80 Cb 0.60 -3.80 -0.05 0.00 -1.54 0.00 0.00 39.78 34.99 3koc n ASN 80 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3koc n TYR 81 N -1.84 0.76 -4.12 3.10 4.01 -0.03 -5.03 117.16 114.01 3koc n TYR 81 Ca -0.11 -2.20 -0.30 0.00 -0.16 0.00 0.00 57.90 55.14 3koc n TYR 81 Cb 0.58 -0.32 -0.08 0.00 -0.31 0.00 0.00 39.34 39.22 3koc n TYR 81 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3koc s GLU 82 N -3.69 2.61 -0.16 -0.72 2.02 -1.01 -4.74 118.70 113.00 3koc s GLU 82 Ca 0.05 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.21 3koc s GLU 82 Cb -0.00 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.68 3koc s GLU 82 CO 0.03 0.53 -0.20 -0.51 0.02 0.00 0.00 175.26 175.13 3koc s LEU 83 N -2.43 2.06 -0.08 1.80 1.02 0.10 -1.05 118.68 120.10 3koc s LEU 83 Ca 0.27 -0.61 -0.20 0.00 0.02 0.00 0.00 54.13 53.61 3koc s LEU 83 Cb -0.11 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 3koc s LEU 83 CO 0.19 0.03 0.55 -0.22 0.02 0.00 0.00 176.35 176.92 3koc s LEU 84 N 1.11 4.31 -0.13 1.79 2.96 0.52 -2.54 118.68 126.71 3koc s LEU 84 Ca -0.00 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.89 3koc s LEU 84 Cb -0.14 -2.82 0.02 0.00 0.50 0.00 0.00 46.19 43.74 3koc s LEU 84 CO -0.08 -0.00 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.15 3koc s ILE 85 N 0.49 1.67 -0.08 6.68 -1.09 -1.08 0.14 121.20 127.92 3koc s ILE 85 Ca 0.29 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3koc s ILE 85 Cb -0.16 -1.52 0.03 0.00 -1.58 0.00 0.00 42.46 39.23 3koc s ILE 85 CO 0.13 0.47 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.60 3koc s VAL 86 N 1.10 0.58 0.27 2.92 1.01 0.65 -3.21 120.40 123.71 3koc s VAL 86 Ca -0.03 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.63 3koc s VAL 86 Cb -0.14 -0.68 -0.10 0.00 0.00 0.00 0.00 36.38 35.46 3koc s VAL 86 CO -0.05 0.29 1.29 -0.55 0.00 0.00 0.00 175.10 176.08 3koc s SER 87 N 1.77 6.88 -0.42 3.32 0.15 -1.26 -0.52 113.70 123.62 3koc s SER 87 Ca 0.03 2.53 0.05 0.00 0.70 0.00 0.00 55.95 59.26 3koc s SER 87 Cb -0.13 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 61.74 3koc s SER 87 CO -0.05 -0.49 0.44 0.00 1.20 0.00 0.00 173.24 174.33 3koc n GLN 88 N 1.61 0.33 0.22 5.44 1.13 -0.12 -4.81 117.38 121.17 3koc n GLN 88 Ca 0.02 -2.99 0.15 0.00 -1.94 0.00 0.00 57.00 52.24 3koc n GLN 88 Cb 0.42 -1.57 0.78 0.00 0.11 0.00 0.00 30.24 29.99 3koc n GLN 88 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3koc h PHE 89 N 5.24 0.00 0.00 1.08 -5.15 -1.94 -0.88 116.94 115.29 3koc h PHE 89 Ca 0.20 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.97 3koc h PHE 89 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.10 3koc h PHE 89 CO 0.25 0.00 0.00 1.79 -2.00 0.00 0.00 178.31 178.35 3koc h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.96 -1.78 112.91 111.41 3koc h THR 90 Ca 0.00 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 3koc h THR 90 Cb 0.02 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3koc h THR 90 CO 0.00 0.00 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.17 3koc h LEU 91 N 0.00 0.00 -3.76 3.87 3.38 -1.56 -1.76 115.31 115.48 3koc h LEU 91 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3koc h LEU 91 Cb 0.40 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.93 3koc h LEU 91 CO 0.00 0.03 0.45 0.49 0.09 0.00 0.00 178.44 179.51 3koc n PHE 92 N -3.39 2.65 -2.19 1.13 3.72 -0.67 -4.94 117.46 113.78 3koc n PHE 92 Ca -0.02 -1.48 -0.42 0.00 -0.05 0.00 0.00 57.45 55.48 3koc n PHE 92 Cb 0.15 -0.80 -0.03 0.00 -0.94 0.00 0.00 39.48 37.86 3koc n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3koc s GLY 93 N -1.05 1.97 -0.45 1.37 0.00 -0.66 -4.38 107.32 104.11 3koc s GLY 93 Ca 0.53 1.06 -0.18 0.00 0.00 0.00 0.00 44.72 46.13 3koc s GLY 93 CO 0.12 2.37 0.51 0.21 0.00 0.00 0.00 173.10 176.31 3koc s ASN 94 N 1.29 6.22 0.00 1.64 2.47 0.45 -4.89 114.94 122.11 3koc s ASN 94 Ca 0.64 -0.74 0.22 0.00 0.42 0.00 0.00 52.86 53.40 3koc s ASN 94 Cb -0.35 -2.25 -0.14 0.00 -1.45 0.00 0.00 41.25 37.05 3koc s ASN 94 CO 0.30 -0.69 0.97 0.35 -3.72 0.00 0.00 177.10 174.30 3koc n THR 95 N 5.53 0.00 -0.00 -5.21 -2.24 -1.26 -3.47 114.28 107.62 3koc n THR 95 Ca -0.07 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.54 3koc n THR 95 Cb 0.47 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 3koc n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3koc h LYS 96 N 0.68 -0.02 -0.79 -0.78 1.57 -1.99 -3.08 116.57 112.16 3koc h LYS 96 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 3koc h LYS 96 Cb 0.57 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 3koc h LYS 96 CO 0.00 -0.02 0.52 1.57 -0.57 0.00 0.00 179.45 180.95 3koc h LYS 97 N -0.02 0.67 0.00 3.15 -0.00 -1.96 -3.48 116.57 114.93 3koc h LYS 97 Ca 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 3koc h LYS 97 Cb 0.11 -0.15 0.00 0.00 -0.00 0.00 0.00 32.23 32.19 3koc h LYS 97 CO -0.12 0.44 0.00 0.41 -0.00 0.00 0.00 179.45 180.18 3koc n GLY 98 N -1.45 -0.58 0.04 0.07 0.00 -1.16 -5.00 105.19 97.10 3koc n GLY 98 Ca 0.14 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.79 3koc n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3koc n ASN 99 N 0.00 0.15 -4.45 1.61 3.02 -1.26 -4.59 115.26 109.74 3koc n ASN 99 Ca 0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.11 3koc n ASN 99 Cb 0.00 1.64 -0.05 0.00 -0.61 0.00 0.00 39.78 40.76 3koc n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3koc s LYS 100 N -3.14 3.15 0.58 3.52 2.20 -1.26 -5.05 119.74 119.74 3koc s LYS 100 Ca -0.08 -0.83 -0.19 0.00 -0.36 0.00 0.00 55.97 54.50 3koc s LYS 100 Cb 0.11 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 3koc s LYS 100 CO 0.86 -1.43 1.22 -1.25 -0.36 0.00 0.00 175.35 174.39 3koc s PRO 101 N 3.13 3.03 0.18 4.03 0.04 -1.26 -4.98 135.00 139.17 3koc s PRO 101 Ca 0.19 1.87 0.11 0.00 0.04 0.00 0.00 61.00 63.20 3koc s PRO 101 Cb -0.18 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3koc s PRO 101 CO 0.12 -1.17 -0.22 0.16 0.04 0.00 0.00 177.00 175.94 3koc s ASP 102 N -1.51 3.57 -0.16 6.66 1.47 -1.23 -4.86 116.67 120.61 3koc s ASP 102 Ca 0.76 -0.80 0.14 0.00 1.18 0.00 0.00 52.55 53.83 3koc s ASP 102 Cb -0.31 -0.34 0.38 0.00 -0.34 0.00 0.00 42.92 42.31 3koc s ASP 102 CO 0.35 0.12 1.19 0.49 0.68 0.00 0.00 175.17 178.00 3koc n PHE 103 N 0.29 0.00 -0.35 2.11 3.72 -1.26 -0.41 117.46 121.56 3koc n PHE 103 Ca -0.13 -1.24 0.09 0.00 -0.05 0.00 0.00 57.45 56.13 3koc n PHE 103 Cb 0.56 -0.21 0.27 0.00 -0.94 0.00 0.00 39.48 39.15 3koc n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3koc h HIS 104 N 0.75 1.05 0.00 1.38 3.86 -1.98 -2.17 115.15 118.05 3koc h HIS 104 Ca -0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3koc h HIS 104 Cb 1.11 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.26 3koc h HIS 104 CO 0.52 0.32 0.00 -0.11 0.86 0.00 0.00 177.93 179.52 3koc n LEU 105 N -4.72 0.00 -4.79 2.43 7.94 -1.26 -4.76 117.00 111.84 3koc n LEU 105 Ca 0.20 0.06 -0.36 0.00 -1.11 0.00 0.00 56.01 54.80 3koc n LEU 105 Cb 0.45 -0.06 -0.07 0.00 0.53 0.00 0.00 43.42 44.26 3koc n LEU 105 CO 0.24 -0.02 -0.12 0.00 -1.11 0.00 0.00 177.39 176.38 3koc s ALA 106 N -2.13 3.74 0.15 1.96 0.00 -0.82 -2.48 121.76 122.17 3koc s ALA 106 Ca 0.31 -0.59 -0.34 0.00 0.00 0.00 0.00 51.96 51.34 3koc s ALA 106 Cb 0.16 -2.16 -0.15 0.00 0.00 0.00 0.00 23.12 20.97 3koc s ALA 106 CO 0.28 0.33 1.45 1.17 0.00 0.00 0.00 175.76 178.99 3koc n LYS 107 N 2.86 1.72 -1.64 0.00 4.81 0.24 -4.58 118.16 121.58 3koc n LYS 107 Ca -0.16 0.62 -0.45 0.00 -0.87 0.00 0.00 58.31 57.44 3koc n LYS 107 Cb 0.53 -2.31 -0.03 0.00 0.02 0.00 0.00 35.03 33.24 3koc n LYS 107 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3koc n GLU 108 N 2.83 1.71 -0.30 1.64 0.00 -1.26 -4.57 120.64 120.68 3koc n GLU 108 Ca 0.17 0.61 0.28 0.00 0.00 0.00 0.00 57.16 58.22 3koc n GLU 108 Cb 0.25 -2.16 0.53 0.00 0.00 0.00 0.00 31.44 30.06 3koc n GLU 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 3koc n PRO 109 N 1.53 -0.06 0.08 5.31 -0.04 -1.26 -1.60 135.00 138.96 3koc n PRO 109 Ca 0.11 1.28 -0.18 0.00 -0.04 0.00 0.00 63.50 64.68 3koc n PRO 109 Cb 0.30 -2.29 -0.14 0.00 -0.04 0.00 0.00 33.50 31.33 3koc n PRO 109 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3koc h ASN 110 N 0.00 0.45 0.39 3.54 4.21 -1.98 0.40 115.58 122.58 3koc h ASN 110 Ca 0.77 -0.59 -0.14 0.00 1.21 0.00 0.00 56.30 57.56 3koc h ASN 110 Cb 2.02 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 39.06 3koc h ASN 110 CO -0.72 1.48 -0.57 -0.33 -1.29 0.00 0.00 177.43 176.00 3koc h GLU 111 N 0.08 0.19 -0.57 0.81 5.08 -1.74 -2.24 114.58 116.20 3koc h GLU 111 Ca -0.24 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 57.92 3koc h GLU 111 Cb 2.03 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 3koc h GLU 111 CO 0.18 0.71 0.05 0.00 -1.00 0.00 0.00 179.01 178.95 3koc h ALA 112 N 1.26 0.76 -0.46 3.43 0.00 -1.20 -1.01 119.26 122.05 3koc h ALA 112 Ca -0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3koc h ALA 112 Cb 1.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3koc h ALA 112 CO 0.09 0.55 0.27 1.25 0.00 0.00 0.00 179.25 181.41 3koc h LEU 113 N 0.87 0.44 0.69 0.00 5.85 0.03 1.14 115.31 124.33 3koc h LEU 113 Ca 0.17 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3koc h LEU 113 Cb 0.48 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3koc h LEU 113 CO 0.02 0.31 -0.49 0.40 -0.34 0.00 0.00 178.44 178.34 3koc h ILE 114 N 0.54 0.00 -0.96 4.05 2.04 -1.42 -3.00 117.51 118.76 3koc h ILE 114 Ca 0.18 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.18 3koc h ILE 114 Cb 0.02 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.02 3koc h ILE 114 CO -0.09 0.00 0.61 0.15 0.00 0.00 0.00 178.15 178.82 3koc h PHE 115 N -1.13 1.00 -0.22 1.37 3.04 -0.31 -0.17 116.94 120.52 3koc h PHE 115 Ca -0.09 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.91 3koc h PHE 115 Cb 0.93 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 3koc h PHE 115 CO -0.15 0.36 0.08 -0.92 -2.02 0.00 0.00 178.31 175.67 3koc h TYR 116 N 0.84 0.15 0.47 0.41 5.03 0.13 -2.88 116.97 121.12 3koc h TYR 116 Ca 0.49 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.79 3koc h TYR 116 Cb 0.64 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 3koc h TYR 116 CO -0.00 0.07 -0.31 -0.91 -1.32 0.00 0.00 178.16 175.69 3koc h ASN 117 N 0.19 -0.79 -1.09 -2.11 2.35 -0.88 -0.68 115.58 112.56 3koc h ASN 117 Ca 0.10 0.05 0.30 0.00 -0.55 0.00 0.00 56.30 56.20 3koc h ASN 117 Cb 0.06 0.24 -0.08 0.00 0.05 0.00 0.00 38.32 38.59 3koc h ASN 117 CO -0.09 -0.48 0.73 0.11 -1.65 0.00 0.00 177.43 176.05 3koc h LYS 118 N -0.75 0.23 0.04 0.81 6.56 -1.52 -1.63 116.57 120.31 3koc h LYS 118 Ca -0.05 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 3koc h LYS 118 Cb 0.63 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 3koc h LYS 118 CO 0.04 0.15 -0.02 0.82 -2.06 0.00 0.00 179.45 178.38 3koc h ILE 119 N 0.24 1.37 -0.63 1.86 2.04 -1.09 -2.49 117.51 118.80 3koc h ILE 119 Ca 0.59 -1.45 0.12 0.00 1.00 0.00 0.00 64.86 65.12 3koc h ILE 119 Cb 1.80 2.31 -0.12 0.00 -0.74 0.00 0.00 36.82 40.07 3koc h ILE 119 CO -0.20 0.36 -0.22 0.40 0.00 0.00 0.00 178.15 178.48 3koc h ILE 120 N -0.70 0.28 -0.41 -0.67 1.08 -0.26 0.49 117.51 117.33 3koc h ILE 120 Ca -0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 3koc h ILE 120 Cb 0.62 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3koc h ILE 120 CO 0.01 0.00 0.18 0.44 -0.69 0.00 0.00 178.15 178.09 3koc h ASP 121 N -0.06 0.55 -0.66 1.72 5.19 -1.42 -2.35 116.42 119.38 3koc h ASP 121 Ca 0.29 -0.15 -0.04 0.00 -0.62 0.00 0.00 57.03 56.51 3koc h ASP 121 Cb 0.51 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 3koc h ASP 121 CO -0.68 0.54 0.28 -0.08 -3.12 0.00 0.00 179.24 176.19 3koc h GLU 122 N 0.51 1.00 -0.77 3.56 4.57 -0.93 0.20 114.58 122.73 3koc h GLU 122 Ca 0.14 -0.16 0.12 0.00 -1.18 0.00 0.00 59.36 58.27 3koc h GLU 122 Cb 0.15 -0.17 -0.08 0.00 -0.16 0.00 0.00 28.75 28.49 3koc h GLU 122 CO -0.01 0.81 0.39 0.74 -1.18 0.00 0.00 179.01 179.75 3koc h PHE 123 N 0.98 0.69 -0.24 0.92 0.04 -0.59 0.15 116.94 118.89 3koc h PHE 123 Ca 0.23 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.91 3koc h PHE 123 Cb 0.18 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 3koc h PHE 123 CO 0.01 0.21 -0.34 0.87 -0.60 0.00 0.00 178.31 178.46 3koc h LYS 124 N 0.61 0.66 -0.34 1.51 1.57 -0.77 -1.91 116.57 117.89 3koc h LYS 124 Ca 0.40 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3koc h LYS 124 Cb 0.49 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3koc h LYS 124 CO -0.31 1.00 0.15 -0.22 -0.57 0.00 0.00 179.45 179.49 3koc h LYS 125 N 0.37 0.47 0.00 3.15 3.64 -0.18 -1.34 116.57 122.68 3koc h LYS 125 Ca 0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3koc h LYS 125 Cb 0.93 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3koc h LYS 125 CO 0.08 0.38 -0.67 1.96 -2.27 0.00 0.00 179.45 178.93 3koc h GLN 126 N 0.48 0.00 0.00 1.90 4.20 -0.68 -3.46 115.11 117.54 3koc h GLN 126 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3koc h GLN 126 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3koc h GLN 126 CO -0.01 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.13 3koc n TYR 127 N -2.35 0.00 0.00 2.96 9.36 -0.72 -5.08 117.16 121.33 3koc n TYR 127 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 3koc n TYR 127 Cb 0.48 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 3koc n TYR 127 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3koc n ASN 128 N -0.26 0.00 0.04 2.98 2.85 -0.56 -4.99 115.26 115.32 3koc n ASN 128 Ca 0.00 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.67 3koc n ASN 128 Cb 0.00 0.00 0.72 0.00 1.24 0.00 0.00 39.78 41.74 3koc n ASN 128 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 3koc h ASP 129 N 0.00 0.00 -0.75 1.20 3.04 -1.92 -1.09 116.42 116.90 3koc h ASP 129 Ca 0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 3koc h ASP 129 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 3koc h ASP 129 CO 0.00 0.00 0.42 0.44 -2.04 0.00 0.00 179.24 178.06 3koc h ASP 130 N 0.00 0.94 -0.78 4.15 5.19 -1.96 -3.26 116.42 120.70 3koc h ASP 130 Ca 0.23 -0.07 -0.25 0.00 -0.62 0.00 0.00 57.03 56.31 3koc h ASP 130 Cb 0.99 -0.24 -0.15 0.00 0.18 0.00 0.00 39.33 40.11 3koc h ASP 130 CO -0.00 0.75 0.32 0.29 -3.12 0.00 0.00 179.24 177.48 3koc n LYS 131 N -4.36 3.59 -3.52 3.56 4.76 -0.41 -4.69 118.16 117.09 3koc n LYS 131 Ca 0.08 -3.09 -0.27 0.00 -2.87 0.00 0.00 58.31 52.15 3koc n LYS 131 Cb 0.09 -2.22 -0.11 0.00 -1.84 0.00 0.00 35.03 30.95 3koc n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3koc s ILE 132 N -3.04 0.93 0.58 -0.18 -1.09 -1.23 0.01 121.20 117.18 3koc s ILE 132 Ca 0.56 -2.94 -0.12 0.00 -2.23 0.00 0.00 60.65 55.91 3koc s ILE 132 Cb 0.45 -1.64 -0.05 0.00 -1.58 0.00 0.00 42.46 39.64 3koc s ILE 132 CO 0.13 -1.16 1.00 -0.54 -1.23 0.00 0.00 174.94 173.15 3koc s LYS 133 N -0.20 3.69 0.21 2.79 -0.14 -1.05 -5.00 119.74 120.05 3koc s LYS 133 Ca 0.30 0.77 0.02 0.00 -1.36 0.00 0.00 55.97 55.69 3koc s LYS 133 Cb -0.01 -2.12 -0.01 0.00 -1.68 0.00 0.00 37.83 34.02 3koc s LYS 133 CO -0.17 -0.47 0.06 0.44 -0.76 0.00 0.00 175.35 174.45 3koc n ILE 134 N -2.41 0.00 -4.11 2.17 -5.35 -1.26 -2.64 119.36 105.76 3koc n ILE 134 Ca 0.06 -1.19 -0.12 0.00 -0.27 0.00 0.00 62.75 61.22 3koc n ILE 134 Cb 0.54 0.39 -0.11 0.00 -1.74 0.00 0.00 39.64 38.73 3koc n ILE 134 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3koc s GLY 135 N -2.28 0.62 -0.68 3.28 0.00 -1.20 -4.62 107.32 102.44 3koc s GLY 135 Ca 0.08 -1.02 -0.26 0.00 0.00 0.00 0.00 44.72 43.52 3koc s GLY 135 CO 0.06 -1.09 1.65 0.54 0.00 0.00 0.00 173.10 174.25 3koc s LYS 136 N -2.55 2.85 0.07 2.90 -0.14 -1.26 -4.87 119.74 116.74 3koc s LYS 136 Ca -0.01 0.21 -0.14 0.00 -1.36 0.00 0.00 55.97 54.67 3koc s LYS 136 Cb -0.03 -4.38 -0.03 0.00 -1.68 0.00 0.00 37.83 31.71 3koc s LYS 136 CO -0.02 -2.54 0.85 0.34 -0.76 0.00 0.00 175.35 173.22 3koc n PHE 137 N 11.50 -0.20 0.52 3.18 7.35 -1.26 -2.30 117.46 136.24 3koc n PHE 137 Ca 0.16 0.58 -0.21 0.00 -0.76 0.00 0.00 57.45 57.22 3koc n PHE 137 Cb 0.51 -0.49 -0.10 0.00 0.35 0.00 0.00 39.48 39.75 3koc n PHE 137 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3koc h GLY 138 N 0.00 -1.37 -1.91 7.13 0.00 -1.99 -3.47 103.07 101.46 3koc h GLY 138 Ca 0.07 0.51 -0.50 0.00 0.00 0.00 0.00 47.33 47.42 3koc h GLY 138 CO -0.44 -0.50 0.40 -1.31 0.00 0.00 0.00 176.54 174.70 3koc s ASN 139 N -4.04 5.60 0.13 0.19 0.01 -0.97 -4.98 114.94 110.87 3koc s ASN 139 Ca -0.20 2.04 -0.35 0.00 -0.71 0.00 0.00 52.86 53.65 3koc s ASN 139 Cb 0.02 -2.56 -0.15 0.00 0.41 0.00 0.00 41.25 38.97 3koc s ASN 139 CO 0.60 -1.30 1.43 0.00 -1.51 0.00 0.00 177.10 176.32 3koc n TYR 140 N -1.73 1.86 -4.99 2.20 9.36 -1.26 -4.88 117.16 117.71 3koc n TYR 140 Ca 0.11 0.48 -0.28 0.00 3.32 0.00 0.00 57.90 61.53 3koc n TYR 140 Cb 0.52 -2.42 -0.16 0.00 -0.63 0.00 0.00 39.34 36.64 3koc n TYR 140 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3koc s MET 141 N 0.53 1.89 -0.23 2.98 -1.94 -1.26 -4.58 119.30 116.68 3koc s MET 141 Ca 0.80 -0.72 -0.12 0.00 -1.71 0.00 0.00 55.69 53.94 3koc s MET 141 Cb -0.81 -1.70 -0.05 0.00 2.01 0.00 0.00 34.83 34.28 3koc s MET 141 CO 0.44 0.36 0.25 1.21 -0.01 0.00 0.00 175.02 177.26 3koc s ASN 142 N -0.22 6.22 -0.28 3.03 2.47 0.24 -4.98 114.94 121.42 3koc s ASN 142 Ca 0.01 0.24 0.01 0.00 0.42 0.00 0.00 52.86 53.54 3koc s ASN 142 Cb -0.10 -2.15 0.08 0.00 -1.45 0.00 0.00 41.25 37.62 3koc s ASN 142 CO 0.01 0.00 0.02 -0.63 -3.72 0.00 0.00 177.10 172.78 3koc s ILE 143 N 1.22 1.43 -0.32 -5.21 1.01 -1.26 -0.21 121.20 117.86 3koc s ILE 143 Ca 0.12 -1.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.00 3koc s ILE 143 Cb -0.14 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.44 3koc s ILE 143 CO 0.06 -0.38 1.18 -1.81 0.00 0.00 0.00 174.94 173.99 3koc s ASP 144 N 1.38 6.79 -0.04 3.58 1.11 -0.80 -4.98 116.67 123.71 3koc s ASP 144 Ca 0.03 1.07 0.07 0.00 0.18 0.00 0.00 52.55 53.90 3koc s ASP 144 Cb -0.18 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.25 3koc s ASP 144 CO -0.12 -1.00 -0.25 -0.69 1.18 0.00 0.00 175.17 174.29 3koc s VAL 145 N 4.04 2.09 -0.36 -1.27 1.01 -1.26 -1.70 120.40 122.95 3koc s VAL 145 Ca 0.50 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 3koc s VAL 145 Cb -0.14 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3koc s VAL 145 CO 0.20 0.57 0.19 -0.89 0.00 0.00 0.00 175.10 175.18 3koc s THR 146 N -0.37 4.55 -0.13 3.92 2.01 -0.82 -5.01 115.64 119.79 3koc s THR 146 Ca 0.03 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.00 3koc s THR 146 Cb -0.12 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 3koc s THR 146 CO 0.02 -0.16 0.84 0.20 -0.69 0.00 0.00 174.62 174.82 3koc s ASN 147 N 1.56 7.02 -0.80 3.53 0.01 -1.26 -1.46 114.94 123.55 3koc s ASN 147 Ca 0.02 1.25 -0.15 0.00 -0.71 0.00 0.00 52.86 53.27 3koc s ASN 147 Cb -0.19 -2.47 0.19 0.00 0.41 0.00 0.00 41.25 39.19 3koc s ASN 147 CO 0.06 -0.35 0.79 -0.62 -1.51 0.00 0.00 177.10 175.48 3koc s ASP 148 N 1.08 6.64 0.00 -1.22 2.15 0.14 -4.62 116.67 120.84 3koc s ASP 148 Ca 0.40 -2.40 0.00 0.00 0.43 0.00 0.00 52.55 50.98 3koc s ASP 148 Cb -0.17 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3koc s ASP 148 CO 0.15 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 3koc n GLY 149 N 4.45 2.47 3.84 2.66 0.00 -1.26 -2.89 105.19 114.46 3koc n GLY 149 Ca 0.11 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 3koc n GLY 149 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3koc n PRO 150 N 0.00 -0.92 -3.83 1.61 -0.04 -1.26 -5.17 135.00 125.39 3koc n PRO 150 Ca 0.00 -2.25 -0.27 0.00 -0.04 0.00 0.00 63.50 60.94 3koc n PRO 150 Cb 0.00 -1.14 -0.17 0.00 -0.04 0.00 0.00 33.50 32.15 3koc n PRO 150 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3koc s VAL 151 N -3.63 0.83 -0.13 0.52 1.01 -1.14 -5.01 120.40 112.85 3koc s VAL 151 Ca 0.72 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3koc s VAL 151 Cb -0.03 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.30 3koc s VAL 151 CO 0.50 0.10 -0.16 -0.89 0.00 0.00 0.00 175.10 174.64 3koc s THR 152 N 1.75 1.65 -0.07 3.92 2.01 -1.26 -1.60 115.64 122.04 3koc s THR 152 Ca 0.01 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.32 3koc s THR 152 Cb -0.15 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 3koc s THR 152 CO -0.07 0.47 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.59 3koc s ILE 153 N 1.13 3.35 -0.13 1.82 -1.09 0.14 -4.96 121.20 121.45 3koc s ILE 153 Ca -0.03 -0.60 0.02 0.00 -2.23 0.00 0.00 60.65 57.81 3koc s ILE 153 Cb -0.14 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.39 3koc s ILE 153 CO -0.05 0.58 -0.19 -0.47 -1.23 0.00 0.00 174.94 173.58 3koc s TYR 154 N -0.53 2.36 0.00 3.97 6.14 -1.26 -0.60 117.35 127.43 3koc s TYR 154 Ca 0.07 -1.17 0.08 0.00 0.64 0.00 0.00 57.07 56.70 3koc s TYR 154 Cb -0.12 -1.64 -0.02 0.00 0.42 0.00 0.00 41.96 40.60 3koc s TYR 154 CO 0.02 -0.56 -0.25 0.42 0.64 0.00 0.00 175.55 175.82 3koc s ILE 155 N 0.92 1.99 -0.44 3.14 1.01 -0.86 -5.02 121.20 121.94 3koc s ILE 155 Ca -0.06 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.44 3koc s ILE 155 Cb -0.15 -1.67 0.15 0.00 0.01 0.00 0.00 42.46 40.79 3koc s ILE 155 CO -0.02 0.47 0.27 -0.62 0.00 0.00 0.00 174.94 175.04 3koc s ASP 156 N -0.82 3.22 0.32 3.58 -1.08 -1.26 -1.89 116.67 118.74 3koc s ASP 156 Ca 0.10 -2.70 0.22 0.00 -0.52 0.00 0.00 52.55 49.65 3koc s ASP 156 Cb -0.10 -0.83 1.11 0.00 -1.46 0.00 0.00 42.92 41.64 3koc s ASP 156 CO 0.00 -0.24 1.20 0.35 0.52 0.00 0.00 175.17 177.00 3koc n THR 157 N 3.41 -0.23 -0.92 1.71 -2.24 -0.85 -2.07 114.28 113.09 3koc n THR 157 Ca 0.14 1.44 -0.28 0.00 -2.27 0.00 0.00 64.05 63.08 3koc n THR 157 Cb 0.37 -2.35 -0.02 0.00 -2.10 0.00 0.00 70.33 66.23 3koc n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3koc n HIS 158 N -4.39 1.69 -1.39 4.78 8.25 -1.26 -4.94 115.22 117.96 3koc n HIS 158 Ca 0.30 -2.23 0.00 0.00 -0.26 0.00 0.00 57.72 55.53 3koc n HIS 158 Cb 1.14 -1.88 0.00 0.00 1.12 0.00 0.00 29.99 30.37 3koc n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73