#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 2.50 -0.11 2.12 0.52 -0.90 -1.41 118.95 121.67 3koc s ARG 2 Ca 0.00 -0.99 -0.08 0.00 -0.52 0.00 0.00 55.73 54.14 3koc s ARG 2 Cb 0.00 -2.45 0.03 0.00 0.52 0.00 0.00 34.95 33.06 3koc s ARG 2 CO 0.00 0.49 0.27 0.54 0.02 0.00 0.00 175.30 176.62 3koc s VAL 3 N -1.58 -0.01 -0.22 3.52 0.11 -0.44 -1.27 120.40 120.51 3koc s VAL 3 Ca 0.27 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.31 3koc s VAL 3 Cb -0.10 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 3koc s VAL 3 CO 0.19 0.02 0.01 -0.69 -3.33 0.00 0.00 175.10 171.29 3koc s VAL 4 N 0.53 3.89 -0.18 2.04 1.01 -0.55 -2.03 120.40 125.12 3koc s VAL 4 Ca -0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 3koc s VAL 4 Cb -0.05 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 3koc s VAL 4 CO -0.03 0.41 -0.07 -0.63 0.00 0.00 0.00 175.10 174.78 3koc s ILE 5 N 1.25 3.36 0.01 2.22 1.01 -0.10 -0.97 121.20 127.98 3koc s ILE 5 Ca 0.04 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.23 3koc s ILE 5 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 3koc s ILE 5 CO 0.01 0.47 -0.20 -1.10 0.00 0.00 0.00 174.94 174.11 3koc s GLN 6 N 0.96 1.51 0.00 2.79 -0.21 -0.25 -0.36 119.66 124.10 3koc s GLN 6 Ca -0.01 -0.81 -0.24 0.00 0.02 0.00 0.00 55.36 54.32 3koc s GLN 6 Cb -0.15 -1.53 -0.05 0.00 1.00 0.00 0.00 33.01 32.29 3koc s GLN 6 CO 0.00 0.41 0.72 0.50 -2.12 0.00 0.00 175.29 174.80 3koc s ARG 7 N -0.78 4.45 0.02 2.91 3.52 -0.79 -1.30 118.95 126.97 3koc s ARG 7 Ca 0.07 0.96 0.01 0.00 -0.13 0.00 0.00 55.73 56.65 3koc s ARG 7 Cb -0.08 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3koc s ARG 7 CO 0.00 0.22 -0.04 0.14 -0.81 0.00 0.00 175.30 174.82 3koc s VAL 8 N 0.20 0.23 -2.07 7.11 -7.23 0.17 -0.90 120.40 117.90 3koc s VAL 8 Ca 0.37 -0.77 0.22 0.00 -1.81 0.00 0.00 61.98 59.99 3koc s VAL 8 Cb -0.19 -0.32 0.58 0.00 0.56 0.00 0.00 36.38 37.01 3koc s VAL 8 CO 0.21 -0.35 1.77 0.29 -0.31 0.00 0.00 175.10 176.71 3koc n LYS 9 N 1.88 1.15 0.00 4.82 5.02 0.09 -0.64 118.16 130.48 3koc n LYS 9 Ca -0.21 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 3koc n LYS 9 Cb 0.56 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 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 0.90 3.98 3.31 0.72 0.00 -0.30 -3.21 105.19 110.59 3koc n GLY 10 Ca 0.16 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.03 -0.11 4.61 0.00 -0.34 -0.78 121.76 122.11 3koc s ALA 11 Ca 0.00 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.17 3koc s ALA 11 Cb 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 3koc s ALA 11 CO 0.00 -0.20 -0.22 0.42 0.00 0.00 0.00 175.76 175.77 3koc s ILE 12 N 0.23 2.25 -0.26 0.00 1.01 0.24 -1.06 121.20 123.61 3koc s ILE 12 Ca -0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 3koc s ILE 12 Cb -0.03 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.59 3koc s ILE 12 CO 0.01 0.55 -0.05 -0.22 0.00 0.00 0.00 174.94 175.22 3koc s LEU 13 N 0.42 3.34 0.16 2.97 0.20 0.35 -0.29 118.68 125.83 3koc s LEU 13 Ca -0.16 -0.99 0.07 0.00 0.69 0.00 0.00 54.13 53.74 3koc s LEU 13 Cb -0.17 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3koc s LEU 13 CO 0.07 -0.16 -0.00 -0.44 -0.29 0.00 0.00 176.35 175.53 3koc s SER 14 N 1.29 4.80 0.49 3.68 0.01 0.26 -0.68 113.70 123.55 3koc s SER 14 Ca -0.02 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.89 3koc s SER 14 Cb -0.17 -1.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.00 3koc s SER 14 CO -0.04 0.10 0.01 0.68 0.41 0.00 0.00 173.24 174.41 3koc s VAL 15 N -1.67 1.17 -0.49 3.43 -7.23 0.77 -0.13 120.40 116.24 3koc s VAL 15 Ca 0.27 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 3koc s VAL 15 Cb -0.10 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.63 3koc s VAL 15 CO 0.18 0.00 1.28 -0.13 -0.31 0.00 0.00 175.10 176.12 3koc s ARG 16 N -3.85 3.56 -0.22 4.82 0.52 -1.26 0.71 118.95 123.24 3koc s ARG 16 Ca 0.09 0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 55.70 3koc s ARG 16 Cb 0.02 -4.00 -0.03 0.00 0.52 0.00 0.00 34.95 31.46 3koc s ARG 16 CO 0.05 -1.60 0.54 -0.51 0.02 0.00 0.00 175.30 173.81 3koc s LEU 27 N 5.13 4.12 -0.20 2.53 1.43 -1.26 -5.16 118.68 125.27 3koc s LEU 27 Ca 0.52 0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3koc s LEU 27 Cb -0.10 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.39 3koc s LEU 27 CO 0.30 -0.23 -0.13 -0.70 0.23 0.00 0.00 176.35 175.82 3koc s GLU 28 N 1.89 3.17 0.48 1.70 2.12 0.22 -5.10 118.70 123.19 3koc s GLU 28 Ca 0.24 -0.74 -0.23 0.00 0.36 0.00 0.00 54.97 54.60 3koc s GLU 28 Cb -0.16 -2.76 -0.07 0.00 0.26 0.00 0.00 34.13 31.40 3koc s GLU 28 CO 0.09 -0.19 1.31 0.42 -0.54 0.00 0.00 175.26 176.35 3koc s ILE 29 N 1.35 2.44 0.00 -3.70 1.01 -1.26 -0.17 121.20 120.86 3koc s ILE 29 Ca 0.05 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.05 3koc s ILE 29 Cb -0.14 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.15 3koc s ILE 29 CO -0.08 0.02 0.00 2.30 0.00 0.00 0.00 174.94 177.17 3koc n ILE 30 N -0.55 0.00 -3.63 2.92 -5.35 0.14 -4.86 119.36 108.03 3koc n ILE 30 Ca 0.08 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 3koc n ILE 30 Cb 0.45 1.38 -0.07 0.00 -1.74 0.00 0.00 39.64 39.66 3koc n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3koc s SER 31 N 0.00 -0.66 0.01 7.28 0.01 -1.02 -4.99 113.70 114.33 3koc s SER 31 Ca 0.00 1.27 -0.01 0.00 1.31 0.00 0.00 55.95 58.52 3koc s SER 31 Cb 0.00 1.28 -0.01 0.00 0.21 0.00 0.00 66.02 67.50 3koc s SER 31 CO 0.00 -0.22 0.00 -1.61 0.41 0.00 0.00 173.24 171.82 3koc s GLU 32 N 0.41 0.22 0.03 12.44 2.02 -1.26 -0.50 118.70 132.06 3koc s GLU 32 Ca 0.00 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.67 3koc s GLU 32 Cb -0.05 0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.24 3koc s GLU 32 CO -0.02 -0.04 -0.10 0.96 0.02 0.00 0.00 175.26 176.08 3koc s ILE 33 N -0.90 0.74 0.00 -1.63 -4.36 -0.22 -4.96 121.20 109.86 3koc s ILE 33 Ca -0.10 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 3koc s ILE 33 Cb -0.06 -0.72 0.00 0.00 1.25 0.00 0.00 42.46 42.93 3koc s ILE 33 CO -0.00 -0.15 0.00 0.29 0.24 0.00 0.00 174.94 175.32 3koc n LYS 34 N 1.89 0.49 -1.72 0.37 4.76 -1.26 -1.20 118.16 121.49 3koc n LYS 34 Ca -0.19 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.89 3koc n LYS 34 Cb 0.55 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.81 3koc n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3koc s ASN 35 N -1.00 4.66 0.00 4.39 0.01 -1.20 -1.15 114.94 120.65 3koc s ASN 35 Ca 0.00 2.45 0.00 0.00 -0.71 0.00 0.00 52.86 54.60 3koc s ASN 35 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 3koc s ASN 35 CO 0.00 -1.96 0.00 0.61 -1.51 0.00 0.00 177.10 174.24 3koc n GLY 36 N 0.58 0.20 2.88 0.66 0.00 0.19 -2.73 105.19 106.97 3koc n GLY 36 Ca 0.14 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 1.16 -0.08 0.99 1.43 -0.62 -0.66 118.68 120.91 3koc s LEU 37 Ca 0.00 -0.16 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 3koc s LEU 37 Cb 0.00 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 3koc s LEU 37 CO 0.00 -0.09 0.40 -0.51 0.23 0.00 0.00 176.35 176.38 3koc s ILE 38 N 1.26 5.15 -0.18 -0.59 2.07 -0.42 -0.81 121.20 127.68 3koc s ILE 38 Ca -0.05 0.81 -0.00 0.00 -1.41 0.00 0.00 60.65 59.99 3koc s ILE 38 Cb -0.14 -3.73 0.04 0.00 0.13 0.00 0.00 42.46 38.77 3koc s ILE 38 CO -0.02 0.45 -0.06 0.00 -1.91 0.00 0.00 174.94 173.40 3koc s PHE 40 N 1.56 2.94 -0.36 0.00 0.08 -0.14 -0.70 117.98 121.36 3koc s PHE 40 Ca -0.01 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 3koc s PHE 40 Cb -0.16 -3.75 0.03 0.00 -0.57 0.00 0.00 43.02 38.57 3koc s PHE 40 CO -0.08 -1.15 0.18 -1.17 -0.10 0.00 0.00 175.22 172.90 3koc s LEU 41 N 3.25 4.59 -0.01 -0.37 2.96 0.40 -1.48 118.68 128.02 3koc s LEU 41 Ca 0.23 -1.03 -0.21 0.00 -0.22 0.00 0.00 54.13 52.91 3koc s LEU 41 Cb -0.15 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 3koc s LEU 41 CO 0.16 -0.36 0.60 -0.83 -1.32 0.00 0.00 176.35 174.60 3koc s GLY 42 N 1.51 2.61 -0.26 7.98 0.00 -0.40 -1.49 107.32 117.27 3koc s GLY 42 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 44.72 44.69 3koc s GLY 42 CO 0.06 0.77 0.08 -0.42 0.00 0.00 0.00 173.10 173.58 3koc s ILE 43 N -0.15 4.30 0.55 0.90 1.01 -1.26 -2.11 121.20 124.44 3koc s ILE 43 Ca 0.31 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.55 3koc s ILE 43 Cb -0.18 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.17 3koc s ILE 43 CO 0.17 0.28 1.01 -2.28 0.00 0.00 0.00 174.94 174.12 3koc s HIS 44 N 1.60 3.39 0.57 3.97 5.65 -1.26 -1.20 115.29 128.02 3koc s HIS 44 Ca 0.06 1.44 0.26 0.00 0.25 0.00 0.00 55.06 57.07 3koc s HIS 44 Cb -0.16 -2.82 1.64 0.00 -1.18 0.00 0.00 32.58 30.07 3koc s HIS 44 CO 0.04 -0.58 2.20 -0.22 -0.65 0.00 0.00 174.74 175.52 3koc h LYS 45 N 0.55 0.00 -0.46 2.88 3.64 -1.48 -2.88 116.57 118.81 3koc h LYS 45 Ca -0.46 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.60 3koc h LYS 45 Cb 1.19 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.79 3koc h LYS 45 CO 0.61 0.00 -0.42 0.09 -2.27 0.00 0.00 179.45 177.45 3koc n ASN 46 N -4.04 3.65 -4.73 4.20 3.02 -1.26 -4.91 115.26 111.19 3koc n ASN 46 Ca -0.02 -3.81 -0.41 0.00 -0.03 0.00 0.00 54.58 50.31 3koc n ASN 46 Cb 0.14 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 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 -3.11 7.50 0.10 6.41 1.01 -1.09 -5.03 116.67 122.46 3koc s ASP 47 Ca 0.47 1.87 0.01 0.00 0.71 0.00 0.00 52.55 55.61 3koc s ASP 47 Cb 0.41 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 3koc s ASP 47 CO -0.01 -0.03 0.23 0.42 0.21 0.00 0.00 175.17 175.99 3koc s THR 48 N -0.31 5.27 0.57 -1.27 -4.23 -1.26 -4.96 115.64 109.45 3koc s THR 48 Ca 0.46 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 60.47 3koc s THR 48 Cb -0.25 -3.63 0.07 0.00 1.34 0.00 0.00 72.50 70.03 3koc s THR 48 CO 0.31 0.04 1.16 -0.25 -0.54 0.00 0.00 174.62 175.34 3koc h TRP 49 N 2.69 0.00 -0.41 3.99 2.91 -2.00 1.60 115.95 124.73 3koc h TRP 49 Ca -0.47 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.41 3koc h TRP 49 Cb 1.18 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.82 3koc h TRP 49 CO 0.58 0.00 -0.30 0.93 -1.03 0.00 0.00 178.44 178.62 3koc h GLU 50 N 0.00 0.93 -0.39 2.65 4.39 -1.99 -2.29 114.58 117.88 3koc h GLU 50 Ca 0.00 -0.45 -0.02 0.00 0.34 0.00 0.00 59.36 59.23 3koc h GLU 50 Cb 1.57 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.20 3koc h GLU 50 CO 0.00 1.11 0.15 -0.44 -1.16 0.00 0.00 179.01 178.67 3koc h ASP 51 N 0.76 0.55 0.00 1.42 3.32 0.20 -1.82 116.42 120.84 3koc h ASP 51 Ca 0.08 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3koc h ASP 51 Cb 0.88 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3koc h ASP 51 CO 0.08 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.17 3koc n ALA 52 N -2.31 -0.17 -0.26 3.45 0.00 -1.15 -2.69 120.51 117.39 3koc n ALA 52 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 3koc n ALA 52 Cb 0.15 0.24 0.03 0.00 0.00 0.00 0.00 19.45 19.88 3koc n ALA 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3koc n LEU 53 N -2.14 -0.42 -0.09 0.00 4.77 -0.86 0.62 117.00 118.88 3koc n LEU 53 Ca 0.00 1.18 0.07 0.00 -0.03 0.00 0.00 56.01 57.23 3koc n LEU 53 Cb 0.00 -0.28 0.43 0.00 -2.33 0.00 0.00 43.42 41.24 3koc n LEU 53 CO 0.00 -1.06 1.19 0.22 -1.33 0.00 0.00 177.39 176.40 3koc h TYR 54 N 0.00 0.57 0.00 -1.77 3.20 -1.16 0.21 116.97 118.02 3koc h TYR 54 Ca 0.24 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 3koc h TYR 54 Cb 0.41 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3koc h TYR 54 CO -0.59 0.31 -0.00 0.82 -1.64 0.00 0.00 178.16 177.06 3koc h ILE 55 N 0.57 1.66 -0.45 1.81 1.08 0.40 -1.87 117.51 120.70 3koc h ILE 55 Ca 0.25 -2.03 0.09 0.00 -0.39 0.00 0.00 64.86 62.78 3koc h ILE 55 Cb 0.24 3.02 -0.08 0.00 -3.07 0.00 0.00 36.82 36.94 3koc h ILE 55 CO -0.07 0.52 -0.09 0.40 -0.69 0.00 0.00 178.15 178.22 3koc h ILE 56 N -0.88 0.57 0.00 -0.67 2.04 -0.98 0.77 117.51 118.36 3koc h ILE 56 Ca -0.00 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3koc h ILE 56 Cb 0.86 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3koc h ILE 56 CO 0.00 0.00 -0.14 -0.09 0.00 0.00 0.00 178.15 177.92 3koc h ARG 57 N 0.02 0.00 0.07 2.37 2.43 -0.62 -1.46 114.38 117.19 3koc h ARG 57 Ca 0.22 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.06 3koc h ARG 57 Cb 0.33 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3koc h ARG 57 CO -0.44 0.14 -1.82 0.87 -1.51 0.00 0.00 179.97 177.21 3koc h LYS 58 N 0.00 0.15 -0.59 0.20 1.79 -0.67 -3.14 116.57 114.31 3koc h LYS 58 Ca -0.00 -0.25 -0.05 0.00 -2.18 0.00 0.00 60.65 58.16 3koc h LYS 58 Cb 0.53 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 3koc h LYS 58 CO 0.02 0.89 0.15 0.00 -1.08 0.00 0.00 179.45 179.43 3koc h LEU 60 N 0.87 0.00 0.00 0.00 3.38 -1.41 -3.38 115.31 114.77 3koc h LEU 60 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3koc h LEU 60 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3koc h LEU 60 CO -0.00 0.55 -1.09 0.59 0.09 0.00 0.00 178.44 178.58 3koc n ASN 61 N -3.01 1.86 -4.71 -0.43 3.02 -1.19 -4.06 115.26 106.75 3koc n ASN 61 Ca -0.05 -0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 53.81 3koc n ASN 61 Cb 0.80 1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 41.23 3koc n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3koc s LEU 62 N -3.24 4.38 -0.59 3.41 1.43 -0.90 -4.65 118.68 118.51 3koc s LEU 62 Ca -0.01 2.81 -0.24 0.00 -1.03 0.00 0.00 54.13 55.65 3koc s LEU 62 Cb 0.07 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.75 3koc s LEU 62 CO 0.41 -0.97 0.99 -0.13 0.23 0.00 0.00 176.35 176.88 3koc s ARG 63 N 1.67 3.28 0.00 1.70 0.52 -1.26 -4.09 118.95 120.77 3koc s ARG 63 Ca 0.76 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.62 3koc s ARG 63 Cb -0.48 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 30.89 3koc s ARG 63 CO 0.33 -1.63 0.93 1.28 0.02 0.00 0.00 175.30 176.23 3koc n LEU 64 N 7.74 1.81 -4.34 2.53 4.77 0.06 -4.36 117.00 125.21 3koc n LEU 64 Ca 0.01 -1.81 -0.26 0.00 -0.03 0.00 0.00 56.01 53.92 3koc n LEU 64 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 3koc n LEU 64 CO 0.65 0.45 -0.54 0.26 -1.33 0.00 0.00 177.39 176.88 3koc s TRP 65 N -0.86 2.04 0.42 -1.77 0.51 -0.69 -4.87 118.94 113.72 3koc s TRP 65 Ca 0.00 -0.40 -0.14 0.00 -2.12 0.00 0.00 56.10 53.44 3koc s TRP 65 Cb 0.00 -1.11 -0.08 0.00 -0.81 0.00 0.00 33.47 31.47 3koc s TRP 65 CO 0.00 0.28 0.84 -0.80 -0.51 0.00 0.00 176.95 176.76 3koc s ASN 66 N -2.02 6.66 -0.22 2.95 0.01 -1.26 -1.46 114.94 119.61 3koc s ASN 66 Ca 0.11 1.35 -0.04 0.00 -0.71 0.00 0.00 52.86 53.57 3koc s ASN 66 Cb -0.10 -2.41 0.09 0.00 0.41 0.00 0.00 41.25 39.24 3koc s ASN 66 CO 0.05 -0.40 0.16 0.21 -1.51 0.00 0.00 177.10 175.62 3koc s ASN 67 N -2.81 2.16 1.68 -1.22 3.04 -0.88 -4.86 114.94 112.05 3koc s ASN 67 Ca 0.55 -0.62 0.00 0.00 0.04 0.00 0.00 52.86 52.84 3koc s ASN 67 Cb -0.10 0.03 0.00 0.00 -1.54 0.00 0.00 41.25 39.64 3koc s ASN 67 CO 0.26 -0.36 0.00 0.47 -3.04 0.00 0.00 177.10 174.42 3koc n ASP 68 N 5.29 0.00 -1.18 -4.21 10.43 -1.26 -1.42 116.55 124.20 3koc n ASP 68 Ca -0.06 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.38 3koc n ASP 68 Cb 0.48 0.00 0.30 0.00 1.84 0.00 0.00 41.12 43.73 3koc n ASP 68 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3koc n ASN 69 N 10.26 4.35 -4.90 -2.24 3.02 -1.26 -4.95 115.26 119.55 3koc n ASN 69 Ca 0.00 -2.88 -0.25 0.00 -0.03 0.00 0.00 54.58 51.42 3koc n ASN 69 Cb 0.00 -0.56 -0.04 0.00 -0.61 0.00 0.00 39.78 38.57 3koc n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3koc s LYS 70 N -2.60 3.25 0.07 3.52 1.02 -0.51 -5.13 119.74 119.37 3koc s LYS 70 Ca 0.45 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.80 3koc s LYS 70 Cb 0.34 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 3koc s LYS 70 CO 0.12 0.50 -0.23 0.95 -0.92 0.00 0.00 175.35 175.77 3koc s THR 71 N -1.79 1.87 -1.18 2.17 -4.23 -1.26 -2.07 115.64 109.15 3koc s THR 71 Ca 0.33 -1.39 -0.05 0.00 -1.18 0.00 0.00 61.69 59.40 3koc s THR 71 Cb -0.10 -1.63 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 3koc s THR 71 CO 0.27 0.17 0.85 0.79 -0.54 0.00 0.00 174.62 176.16 3koc n TRP 72 N 1.55 -2.14 -0.02 3.99 7.02 -1.24 -4.94 117.44 121.66 3koc n TRP 72 Ca -0.18 0.81 -0.03 0.00 -1.02 0.00 0.00 57.50 57.09 3koc n TRP 72 Cb 0.53 -4.34 -0.01 0.00 -2.42 0.00 0.00 31.31 25.07 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 -3.07 1.60 -4.70 -0.99 2.03 -0.61 -4.82 116.55 105.98 3koc n ASP 73 Ca -0.20 0.02 -0.35 0.00 0.52 0.00 0.00 54.79 54.78 3koc n ASP 73 Cb 0.65 -0.07 -0.09 0.00 -0.72 0.00 0.00 41.12 40.88 3koc n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3koc s LYS 74 N -2.06 3.21 0.69 -0.67 -0.14 -0.53 -4.80 119.74 115.43 3koc s LYS 74 Ca -0.04 -0.36 0.03 0.00 -1.36 0.00 0.00 55.97 54.24 3koc s LYS 74 Cb 0.01 -2.91 0.12 0.00 -1.68 0.00 0.00 37.83 33.37 3koc s LYS 74 CO 0.06 0.65 0.95 0.54 -0.76 0.00 0.00 175.35 176.78 3koc s ASN 75 N -0.71 4.51 0.43 2.83 2.20 -1.26 -0.76 114.94 122.18 3koc s ASN 75 Ca 0.12 -0.56 0.20 0.00 -0.94 0.00 0.00 52.86 51.68 3koc s ASN 75 Cb -0.12 0.17 0.98 0.00 -2.00 0.00 0.00 41.25 40.29 3koc s ASN 75 CO 0.02 -1.76 1.89 1.62 -2.94 0.00 0.00 177.10 175.93 3koc h VAL 76 N -0.35 0.87 0.02 3.54 3.04 -1.73 -2.79 116.25 118.85 3koc h VAL 76 Ca -0.34 -1.06 -0.09 0.00 -1.01 0.00 0.00 66.70 64.21 3koc h VAL 76 Cb 1.27 1.63 0.01 0.00 -2.01 0.00 0.00 31.29 32.19 3koc h VAL 76 CO 0.39 0.26 -0.37 0.11 -1.01 0.00 0.00 177.57 176.96 3koc h LYS 77 N 0.00 0.22 -0.90 4.17 1.57 -1.85 0.89 116.57 120.66 3koc h LYS 77 Ca -0.00 -0.26 0.21 0.00 -1.87 0.00 0.00 60.65 58.73 3koc h LYS 77 Cb 0.61 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.88 3koc h LYS 77 CO 0.04 1.01 0.43 -0.44 -0.57 0.00 0.00 179.45 179.91 3koc h ASP 78 N -0.46 0.41 -0.54 0.86 3.32 -1.83 0.18 116.42 118.36 3koc h ASP 78 Ca -0.05 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3koc h ASP 78 Cb 1.15 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3koc h ASP 78 CO 0.07 0.06 0.00 0.18 -1.72 0.00 0.00 179.24 177.83 3koc n LEU 79 N -4.99 4.41 -4.22 1.55 4.77 -1.13 -4.93 117.00 112.45 3koc n LEU 79 Ca 0.22 -2.23 -0.35 0.00 -0.03 0.00 0.00 56.01 53.62 3koc n LEU 79 Cb 0.62 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3koc n LEU 79 CO 0.15 0.67 -0.08 0.59 -1.33 0.00 0.00 177.39 177.38 3koc n ASN 80 N 0.83 -2.62 -4.78 -1.43 4.13 0.64 -4.97 115.26 107.05 3koc n ASN 80 Ca 0.23 -1.04 -0.22 0.00 1.68 0.00 0.00 54.58 55.22 3koc n ASN 80 Cb 0.86 -2.65 0.09 0.00 -1.54 0.00 0.00 39.78 36.55 3koc n ASN 80 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3koc s TYR 81 N -3.42 1.60 0.35 3.10 2.02 0.30 -5.04 117.35 116.27 3koc s TYR 81 Ca 0.62 -0.39 0.09 0.00 -0.37 0.00 0.00 57.07 57.03 3koc s TYR 81 Cb -0.34 -2.77 -0.06 0.00 -0.40 0.00 0.00 41.96 38.39 3koc s TYR 81 CO 0.94 -1.52 0.00 -1.21 -1.57 0.00 0.00 175.55 172.19 3koc s GLU 82 N -4.99 2.04 -0.05 -0.62 2.02 -1.10 -4.74 118.70 111.25 3koc s GLU 82 Ca 0.65 -1.79 0.02 0.00 0.02 0.00 0.00 54.97 53.86 3koc s GLU 82 Cb -0.06 -1.89 0.02 0.00 0.10 0.00 0.00 34.13 32.30 3koc s GLU 82 CO 0.43 0.12 -0.08 -0.51 0.02 0.00 0.00 175.26 175.24 3koc s LEU 83 N -3.71 1.48 -0.31 1.80 1.02 -0.61 -1.59 118.68 116.76 3koc s LEU 83 Ca 0.35 -0.19 -0.08 0.00 0.02 0.00 0.00 54.13 54.22 3koc s LEU 83 Cb 0.01 -0.59 0.01 0.00 0.02 0.00 0.00 46.19 45.63 3koc s LEU 83 CO 0.19 -0.01 0.12 -0.22 0.02 0.00 0.00 176.35 176.44 3koc s LEU 84 N 0.78 4.02 -0.26 1.79 2.96 0.01 -1.17 118.68 126.81 3koc s LEU 84 Ca -0.13 -0.67 -0.08 0.00 -0.22 0.00 0.00 54.13 53.03 3koc s LEU 84 Cb -0.15 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3koc s LEU 84 CO 0.02 -0.21 0.08 -0.63 -1.32 0.00 0.00 176.35 174.28 3koc s ILE 85 N 1.54 4.32 -0.11 6.68 -1.09 0.17 -0.81 121.20 131.89 3koc s ILE 85 Ca 0.03 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.23 3koc s ILE 85 Cb -0.17 -3.05 0.01 0.00 -1.58 0.00 0.00 42.46 37.67 3koc s ILE 85 CO 0.04 0.29 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.20 3koc s VAL 86 N 1.61 1.54 -0.13 2.92 1.01 0.12 -3.79 120.40 123.67 3koc s VAL 86 Ca 0.06 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3koc s VAL 86 Cb -0.15 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3koc s VAL 86 CO 0.04 0.45 1.28 -0.55 0.00 0.00 0.00 175.10 176.31 3koc s SER 87 N 0.97 6.95 -0.50 3.32 0.15 -1.26 -0.46 113.70 122.87 3koc s SER 87 Ca -0.07 1.76 0.04 0.00 0.70 0.00 0.00 55.95 58.38 3koc s SER 87 Cb -0.15 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 61.78 3koc s SER 87 CO -0.02 -0.74 0.35 -1.58 1.20 0.00 0.00 173.24 172.46 3koc s GLN 88 N 3.24 1.42 0.41 5.44 2.00 -0.55 -4.86 119.66 126.77 3koc s GLN 88 Ca 0.56 -2.39 0.13 0.00 -2.00 0.00 0.00 55.36 51.66 3koc s GLN 88 Cb -0.23 -2.22 0.86 0.00 0.80 0.00 0.00 33.01 32.22 3koc s GLN 88 CO 0.17 -1.29 1.91 0.27 -0.50 0.00 0.00 175.29 175.86 3koc h PHE 89 N 5.93 0.03 0.00 1.67 -5.15 -1.94 -2.78 116.94 114.70 3koc h PHE 89 Ca 0.15 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.91 3koc h PHE 89 Cb 0.87 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.03 3koc h PHE 89 CO 0.45 0.28 0.04 0.25 -2.00 0.00 0.00 178.31 177.33 3koc n THR 90 N -4.23 0.91 0.22 0.88 -2.24 -1.26 -0.22 114.28 108.34 3koc n THR 90 Ca -0.02 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 3koc n THR 90 Cb 0.31 -1.26 0.43 0.00 -2.10 0.00 0.00 70.33 67.71 3koc n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3koc h LEU 91 N 0.00 0.00 -1.90 3.22 3.38 -1.92 -2.54 115.31 115.55 3koc h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3koc h LEU 91 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3koc h LEU 91 CO 0.00 0.19 0.00 0.49 0.09 0.00 0.00 178.44 179.21 3koc n PHE 92 N -3.29 0.70 -1.92 1.13 3.72 0.69 -4.80 117.46 113.70 3koc n PHE 92 Ca 0.01 -0.35 -0.26 0.00 -0.05 0.00 0.00 57.45 56.80 3koc n PHE 92 Cb 0.45 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.99 -0.07 0.09 1.37 0.00 -0.96 -4.36 107.32 102.40 3koc s GLY 93 Ca 0.34 -1.12 -0.31 0.00 0.00 0.00 0.00 44.72 43.63 3koc s GLY 93 CO 0.23 3.68 1.86 -2.01 0.00 0.00 0.00 173.10 176.86 3koc n ASN 94 N 14.90 4.00 -0.21 1.64 2.85 -0.71 -4.69 115.26 133.04 3koc n ASN 94 Ca 0.38 0.97 0.08 0.00 -0.11 0.00 0.00 54.58 55.90 3koc n ASN 94 Cb 0.47 -1.52 0.11 0.00 1.24 0.00 0.00 39.78 40.08 3koc n ASN 94 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3koc n THR 95 N 4.86 1.48 0.11 -0.44 -2.24 -1.26 -0.33 114.28 116.46 3koc n THR 95 Ca 0.19 -1.83 -0.03 0.00 -2.27 0.00 0.00 64.05 60.11 3koc n THR 95 Cb 0.37 -0.07 0.16 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.07 0.13 -4.78 -0.78 6.56 -1.96 -3.41 116.57 112.41 3koc h LYS 96 Ca -0.00 -0.09 -0.67 0.00 -1.06 0.00 0.00 60.65 58.83 3koc h LYS 96 Cb 1.10 0.01 -0.37 0.00 -0.57 0.00 0.00 32.23 32.40 3koc h LYS 96 CO 0.00 0.67 -0.74 -1.59 -2.06 0.00 0.00 179.45 175.73 3koc s LYS 97 N -3.77 2.10 0.26 3.15 -2.85 -1.26 -5.05 119.74 112.33 3koc s LYS 97 Ca -0.03 -1.48 0.00 0.00 -1.00 0.00 0.00 55.97 53.46 3koc s LYS 97 Cb 0.13 -3.07 0.00 0.00 -2.06 0.00 0.00 37.83 32.83 3koc s LYS 97 CO 0.78 -0.69 0.00 0.41 0.10 0.00 0.00 175.35 175.94 3koc n GLY 98 N 4.44 -2.21 0.62 0.59 0.00 -1.26 -4.61 105.19 102.76 3koc n GLY 98 Ca -0.09 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.39 1.86 -4.34 1.61 5.03 -1.26 -4.74 115.26 110.03 3koc n ASN 99 Ca -0.02 -1.73 -0.42 0.00 0.87 0.00 0.00 54.58 53.28 3koc n ASN 99 Cb 0.38 -0.11 -0.09 0.00 -1.02 0.00 0.00 39.78 38.93 3koc n ASN 99 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3koc s LYS 100 N -1.78 2.78 0.37 3.52 2.20 -1.26 -5.05 119.74 120.52 3koc s LYS 100 Ca 0.33 -1.33 -0.27 0.00 -0.36 0.00 0.00 55.97 54.33 3koc s LYS 100 Cb 0.18 -3.89 -0.11 0.00 -1.51 0.00 0.00 37.83 32.50 3koc s LYS 100 CO 0.27 -0.92 1.36 -2.30 -0.36 0.00 0.00 175.35 173.40 3koc n PRO 101 N 5.04 2.28 -3.98 4.03 -0.02 -1.26 -4.90 135.00 136.18 3koc n PRO 101 Ca -0.11 0.80 -0.34 0.00 -2.02 0.00 0.00 63.50 61.83 3koc n PRO 101 Cb 0.44 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 3koc n PRO 101 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3koc s ASP 102 N -0.29 4.67 -0.29 2.55 2.15 0.55 -4.90 116.67 121.10 3koc s ASP 102 Ca 0.56 -1.31 0.02 0.00 0.43 0.00 0.00 52.55 52.25 3koc s ASP 102 Cb -0.52 -1.64 0.39 0.00 -0.30 0.00 0.00 42.92 40.85 3koc s ASP 102 CO 0.62 -0.22 1.61 0.49 -0.17 0.00 0.00 175.17 177.50 3koc n PHE 103 N 4.54 1.89 -0.12 -5.34 3.72 -1.26 -1.73 117.46 119.15 3koc n PHE 103 Ca -0.14 -1.42 -0.04 0.00 -0.05 0.00 0.00 57.45 55.80 3koc n PHE 103 Cb 0.43 -0.72 0.16 0.00 -0.94 0.00 0.00 39.48 38.41 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 0.72 0.87 0.00 1.38 3.86 -1.95 -2.65 115.15 117.38 3koc h HIS 104 Ca 0.39 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.49 3koc h HIS 104 Cb 2.01 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 30.23 3koc h HIS 104 CO 0.98 0.77 -0.03 -0.07 0.86 0.00 0.00 177.93 180.43 3koc h LEU 105 N 0.78 0.00 -9.52 2.43 3.38 -1.80 -3.45 115.31 107.14 3koc h LEU 105 Ca 0.16 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.60 3koc h LEU 105 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 3koc h LEU 105 CO 0.01 0.03 0.57 0.00 0.09 0.00 0.00 178.44 179.15 3koc s ALA 106 N -3.94 3.41 0.38 1.53 0.00 -1.00 -1.37 121.76 120.77 3koc s ALA 106 Ca -0.02 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 3koc s ALA 106 Cb 0.11 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 3koc s ALA 106 CO 0.51 -0.43 1.33 1.17 0.00 0.00 0.00 175.76 178.34 3koc n LYS 107 N 3.71 2.19 -1.74 0.00 4.81 -0.34 -4.63 118.16 122.16 3koc n LYS 107 Ca 0.08 0.77 -0.41 0.00 -0.87 0.00 0.00 58.31 57.89 3koc n LYS 107 Cb 0.46 -2.43 0.01 0.00 0.02 0.00 0.00 35.03 33.09 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 0.34 2.20 -0.33 1.64 0.00 -1.26 -4.75 120.64 118.48 3koc n GLU 108 Ca 0.04 0.78 0.17 0.00 0.00 0.00 0.00 57.16 58.15 3koc n GLU 108 Cb 0.38 -2.53 0.37 0.00 0.00 0.00 0.00 31.44 29.66 3koc n GLU 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3koc h PRO 109 N 2.34 0.47 0.47 5.31 0.11 -1.98 0.58 132.00 139.30 3koc h PRO 109 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3koc h PRO 109 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3koc h PRO 109 CO 0.61 0.31 -0.23 -0.91 -0.21 0.00 0.00 178.00 177.57 3koc h ASN 110 N 0.48 -0.53 -0.22 -2.05 2.35 -2.00 -0.96 115.58 112.65 3koc h ASN 110 Ca 0.62 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 56.45 3koc h ASN 110 Cb 1.21 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.71 3koc h ASN 110 CO -0.51 -0.17 0.16 -0.33 -1.65 0.00 0.00 177.43 174.93 3koc h GLU 111 N -1.06 0.00 0.88 0.81 5.08 -1.94 -2.10 114.58 116.26 3koc h GLU 111 Ca -0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3koc h GLU 111 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3koc h GLU 111 CO 0.11 0.00 -0.42 0.00 -1.00 0.00 0.00 179.01 177.69 3koc h ALA 112 N 1.88 -1.19 -0.54 3.43 0.00 -0.84 -2.44 119.26 119.56 3koc h ALA 112 Ca 0.10 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3koc h ALA 112 Cb 0.43 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 3koc h ALA 112 CO -0.00 -1.15 -0.05 1.25 0.00 0.00 0.00 179.25 179.30 3koc h LEU 113 N -1.22 -0.33 -0.84 0.00 5.85 -0.47 0.19 115.31 118.49 3koc h LEU 113 Ca -0.12 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3koc h LEU 113 Cb 0.91 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3koc h LEU 113 CO 0.20 -0.12 0.53 -0.29 -0.34 0.00 0.00 178.44 178.42 3koc h ILE 114 N 0.07 1.11 -0.04 4.05 6.09 -1.53 0.92 117.51 128.19 3koc h ILE 114 Ca 0.27 -0.35 -0.01 0.00 -1.37 0.00 0.00 64.86 63.40 3koc h ILE 114 Cb 0.43 -0.00 -0.00 0.00 0.47 0.00 0.00 36.82 37.72 3koc h ILE 114 CO -0.50 0.19 -0.01 0.15 -3.07 0.00 0.00 178.15 174.91 3koc h PHE 115 N 1.02 0.08 -0.67 2.19 3.57 -0.72 -2.33 116.94 120.08 3koc h PHE 115 Ca 0.34 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.92 3koc h PHE 115 Cb 0.04 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 3koc h PHE 115 CO -0.03 0.44 0.31 -0.92 -2.23 0.00 0.00 178.31 175.88 3koc h TYR 116 N -0.30 0.55 -0.82 0.41 3.20 -0.57 -0.87 116.97 118.58 3koc h TYR 116 Ca 0.01 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.97 3koc h TYR 116 Cb 0.41 -0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 3koc h TYR 116 CO 0.06 0.18 0.49 -0.91 -1.64 0.00 0.00 178.16 176.34 3koc h ASN 117 N 0.53 0.76 0.24 -2.11 4.21 -0.68 -1.05 115.58 117.48 3koc h ASN 117 Ca 0.33 0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.80 3koc h ASN 117 Cb 0.37 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 3koc h ASN 117 CO -0.28 0.48 -0.28 0.11 -1.29 0.00 0.00 177.43 176.16 3koc h LYS 118 N 0.89 0.07 -0.35 0.81 1.57 -0.69 -1.36 116.57 117.51 3koc h LYS 118 Ca 0.36 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 59.02 3koc h LYS 118 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3koc h LYS 118 CO -0.19 0.36 -0.22 0.82 -0.57 0.00 0.00 179.45 179.65 3koc h ILE 119 N 0.07 1.27 -0.01 1.86 2.04 -0.01 -2.29 117.51 120.43 3koc h ILE 119 Ca 0.01 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 3koc h ILE 119 Cb 0.54 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3koc h ILE 119 CO 0.04 0.42 -0.01 0.40 0.00 0.00 0.00 178.15 179.00 3koc h ILE 120 N 0.59 1.41 -0.89 -0.67 1.08 -0.44 -1.67 117.51 116.91 3koc h ILE 120 Ca 0.09 -1.21 0.18 0.00 -0.39 0.00 0.00 64.86 63.52 3koc h ILE 120 Cb 0.69 2.21 -0.17 0.00 -3.07 0.00 0.00 36.82 36.48 3koc h ILE 120 CO 0.05 0.32 -0.22 0.44 -0.69 0.00 0.00 178.15 178.05 3koc h ASP 121 N -0.48 -0.83 -0.14 1.72 3.32 -1.26 -0.10 116.42 118.65 3koc h ASP 121 Ca 0.00 0.27 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3koc h ASP 121 Cb 0.53 0.55 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3koc h ASP 121 CO 0.00 -0.29 -0.27 -0.08 -1.72 0.00 0.00 179.24 176.88 3koc h GLU 122 N -0.00 0.43 -0.88 3.56 4.57 -1.33 0.14 114.58 121.06 3koc h GLU 122 Ca 0.43 -0.27 0.21 0.00 -1.18 0.00 0.00 59.36 58.54 3koc h GLU 122 Cb 0.65 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.15 3koc h GLU 122 CO -0.91 0.87 0.37 0.74 -1.18 0.00 0.00 179.01 178.90 3koc h PHE 123 N 0.03 0.61 0.38 0.92 0.04 -0.81 0.14 116.94 118.25 3koc h PHE 123 Ca 0.01 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 3koc h PHE 123 Cb 0.86 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.88 3koc h PHE 123 CO 0.10 -0.05 -0.18 0.87 -0.60 0.00 0.00 178.31 178.45 3koc h LYS 124 N 0.39 -0.49 -0.85 1.51 1.57 -0.53 -0.79 116.57 117.37 3koc h LYS 124 Ca 0.54 0.03 0.22 0.00 -1.87 0.00 0.00 60.65 59.57 3koc h LYS 124 Cb 1.01 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 33.30 3koc h LYS 124 CO -0.52 -0.18 0.24 0.87 -0.57 0.00 0.00 179.45 179.28 3koc h LYS 125 N -0.87 0.23 0.07 3.15 1.57 -0.28 -2.85 116.57 117.59 3koc h LYS 125 Ca -0.05 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 3koc h LYS 125 Cb 0.54 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.82 3koc h LYS 125 CO 0.09 0.15 -0.78 1.96 -0.57 0.00 0.00 179.45 180.30 3koc h GLN 126 N 0.24 0.40 0.00 3.15 4.20 -0.73 -3.45 115.11 118.91 3koc h GLN 126 Ca 0.53 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3koc h GLN 126 Cb 1.03 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3koc h GLN 126 CO -0.62 1.20 0.00 0.98 -0.67 0.00 0.00 178.83 179.72 3koc n TYR 127 N -4.12 0.00 -3.71 2.96 9.36 -0.31 -5.10 117.16 116.25 3koc n TYR 127 Ca -0.12 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 60.97 3koc n TYR 127 Cb 0.78 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.39 3koc n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3koc s ASN 128 N -0.63 -0.50 0.34 2.98 3.04 -1.16 -4.97 114.94 114.04 3koc s ASN 128 Ca 0.00 0.95 0.13 0.00 0.04 0.00 0.00 52.86 53.98 3koc s ASN 128 Cb 0.00 0.95 1.10 0.00 -1.54 0.00 0.00 41.25 41.76 3koc s ASN 128 CO 0.00 -0.17 1.60 -0.78 -3.04 0.00 0.00 177.10 174.71 3koc h ASP 129 N 5.60 0.11 0.07 -4.21 1.82 -1.90 0.96 116.42 118.87 3koc h ASP 129 Ca -0.28 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 3koc h ASP 129 Cb 1.18 0.31 0.00 0.00 0.68 0.00 0.00 39.33 41.50 3koc h ASP 129 CO 0.22 -0.35 -0.07 -0.67 -1.61 0.00 0.00 179.24 176.76 3koc n ASP 130 N -5.28 1.31 -0.00 2.28 2.03 -1.26 -4.07 116.55 111.56 3koc n ASP 130 Ca 0.32 -1.30 0.09 0.00 0.52 0.00 0.00 54.79 54.42 3koc n ASP 130 Cb 1.05 0.04 -0.11 0.00 -0.72 0.00 0.00 41.12 41.38 3koc n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3koc n LYS 131 N -0.10 0.89 -3.43 -0.67 4.76 0.32 -4.84 118.16 115.09 3koc n LYS 131 Ca 0.17 -0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 55.15 3koc n LYS 131 Cb 0.35 -1.38 -0.09 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.82 5.24 -0.01 -0.18 -1.09 -1.18 -1.57 121.20 119.58 3koc s ILE 132 Ca 0.05 -0.70 -0.01 0.00 -2.23 0.00 0.00 60.65 57.76 3koc s ILE 132 Cb 0.14 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 3koc s ILE 132 CO 0.76 -0.37 0.11 -0.54 -1.23 0.00 0.00 174.94 173.67 3koc s LYS 133 N 1.72 3.17 0.06 2.79 3.01 -0.32 -5.02 119.74 125.15 3koc s LYS 133 Ca 0.06 -0.44 0.00 0.00 -1.01 0.00 0.00 55.97 54.58 3koc s LYS 133 Cb -0.20 -2.93 -0.00 0.00 -1.01 0.00 0.00 37.83 33.70 3koc s LYS 133 CO 0.10 0.65 0.01 0.44 0.51 0.00 0.00 175.35 177.07 3koc n ILE 134 N 1.11 0.00 -2.91 2.17 -5.35 -1.26 -0.66 119.36 112.47 3koc n ILE 134 Ca -0.12 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 3koc n ILE 134 Cb 0.53 0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 3koc n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3koc n GLY 135 N 2.68 7.57 3.22 3.28 0.00 -1.25 -4.79 105.19 115.90 3koc n GLY 135 Ca -0.01 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3koc n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3koc s LYS 136 N 1.09 2.48 0.18 1.61 2.20 -1.26 -5.06 119.74 120.98 3koc s LYS 136 Ca 0.00 -1.72 -0.33 0.00 -0.36 0.00 0.00 55.97 53.56 3koc s LYS 136 Cb 0.00 -3.89 -0.15 0.00 -1.51 0.00 0.00 37.83 32.28 3koc s LYS 136 CO 0.00 -1.15 1.20 0.34 -0.36 0.00 0.00 175.35 175.37 3koc n PHE 137 N 4.90 1.41 -2.21 4.03 7.35 -1.26 -2.54 117.46 129.13 3koc n PHE 137 Ca -0.08 0.65 -0.12 0.00 -0.76 0.00 0.00 57.45 57.14 3koc n PHE 137 Cb 0.41 -2.30 -0.01 0.00 0.35 0.00 0.00 39.48 37.93 3koc n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3koc n GLY 138 N 2.05 -0.10 3.08 7.13 0.00 -1.26 -5.02 105.19 111.07 3koc n GLY 138 Ca 0.15 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 3koc n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3koc s ASN 139 N -2.46 1.09 0.13 1.61 0.02 -1.05 -5.11 114.94 109.17 3koc s ASN 139 Ca 0.00 -0.50 -0.31 0.00 -1.02 0.00 0.00 52.86 51.03 3koc s ASN 139 Cb 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 41.25 41.15 3koc s ASN 139 CO 0.00 -0.12 1.84 0.00 0.02 0.00 0.00 177.10 178.84 3koc n TYR 140 N 1.64 2.63 -4.90 2.20 9.36 -1.26 -4.93 117.16 121.90 3koc n TYR 140 Ca -0.21 -0.14 -0.28 0.00 3.32 0.00 0.00 57.90 60.59 3koc n TYR 140 Cb 0.55 -2.73 -0.15 0.00 -0.63 0.00 0.00 39.34 36.38 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 2.67 1.69 -0.17 2.98 -1.94 -1.26 -4.25 119.30 119.02 3koc s MET 141 Ca 0.82 -0.96 -0.04 0.00 -1.71 0.00 0.00 55.69 53.79 3koc s MET 141 Cb -0.48 -1.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.56 3koc s MET 141 CO 0.37 0.47 -0.02 1.21 -0.01 0.00 0.00 175.02 177.04 3koc s ASN 142 N -0.99 4.89 -0.18 3.03 2.47 0.82 -4.99 114.94 119.99 3koc s ASN 142 Ca 0.09 -0.13 -0.01 0.00 0.42 0.00 0.00 52.86 53.23 3koc s ASN 142 Cb -0.09 -1.81 0.05 0.00 -1.45 0.00 0.00 41.25 37.94 3koc s ASN 142 CO 0.01 0.14 -0.02 -0.63 -3.72 0.00 0.00 177.10 172.88 3koc s ILE 143 N 0.55 0.92 -0.09 -5.21 1.01 -1.26 0.91 121.20 118.03 3koc s ILE 143 Ca -0.02 -0.62 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 3koc s ILE 143 Cb -0.14 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 3koc s ILE 143 CO 0.02 -0.00 0.75 -1.81 0.00 0.00 0.00 174.94 173.90 3koc s ASP 144 N 1.70 7.00 -0.12 3.58 1.01 0.60 -4.93 116.67 125.51 3koc s ASP 144 Ca -0.00 1.22 0.01 0.00 0.71 0.00 0.00 52.55 54.48 3koc s ASP 144 Cb -0.16 -2.43 0.02 0.00 1.01 0.00 0.00 42.92 41.36 3koc s ASP 144 CO -0.07 -0.19 -0.12 -0.69 0.21 0.00 0.00 175.17 174.30 3koc s VAL 145 N 1.14 1.37 -0.80 -1.27 1.01 -1.26 -0.59 120.40 120.00 3koc s VAL 145 Ca 0.39 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 3koc s VAL 145 Cb -0.18 -1.30 0.14 0.00 0.00 0.00 0.00 36.38 35.04 3koc s VAL 145 CO 0.18 0.42 0.93 -0.89 0.00 0.00 0.00 175.10 175.74 3koc s THR 146 N 1.40 4.89 -0.05 3.92 2.01 0.04 -5.00 115.64 122.85 3koc s THR 146 Ca 0.01 -1.49 -0.30 0.00 0.31 0.00 0.00 61.69 60.23 3koc s THR 146 Cb -0.13 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.70 3koc s THR 146 CO -0.07 -1.31 1.36 0.20 -0.69 0.00 0.00 174.62 174.11 3koc s ASN 147 N 3.34 6.89 -0.47 3.53 0.01 -1.26 -0.73 114.94 126.24 3koc s ASN 147 Ca 0.23 1.99 -0.10 0.00 -0.71 0.00 0.00 52.86 54.28 3koc s ASN 147 Cb -0.12 -2.55 0.12 0.00 0.41 0.00 0.00 41.25 39.10 3koc s ASN 147 CO -0.03 -0.72 0.35 -0.62 -1.51 0.00 0.00 177.10 174.56 3koc s ASP 148 N 1.98 5.73 0.00 -1.22 2.15 -0.08 -4.65 116.67 120.58 3koc s ASP 148 Ca 0.62 -1.88 0.00 0.00 0.43 0.00 0.00 52.55 51.72 3koc s ASP 148 Cb -0.29 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3koc s ASP 148 CO 0.24 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 3koc n GLY 149 N 4.93 2.11 3.91 2.66 0.00 -1.26 -3.52 105.19 114.02 3koc n GLY 149 Ca -0.08 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 3koc n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3koc s PRO 150 N 0.00 3.24 -0.22 1.61 0.04 -1.26 -5.17 135.00 133.24 3koc s PRO 150 Ca 0.00 0.15 -0.00 0.00 0.04 0.00 0.00 61.00 61.19 3koc s PRO 150 Cb 0.00 -2.30 0.06 0.00 0.04 0.00 0.00 34.50 32.30 3koc s PRO 150 CO 0.00 -0.48 -0.03 0.08 0.04 0.00 0.00 177.00 176.61 3koc s VAL 151 N -2.90 1.29 -0.15 -0.36 1.01 -1.23 -5.02 120.40 113.03 3koc s VAL 151 Ca 0.51 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3koc s VAL 151 Cb -0.10 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3koc s VAL 151 CO 0.46 -0.12 -0.11 -0.89 0.00 0.00 0.00 175.10 174.44 3koc s THR 152 N 1.51 3.18 -0.09 3.92 2.01 -1.26 -1.89 115.64 123.02 3koc s THR 152 Ca -0.05 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.39 3koc s THR 152 Cb -0.18 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 69.96 3koc s THR 152 CO -0.07 0.51 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.51 3koc s ILE 153 N 0.55 2.00 -0.07 1.82 -1.09 0.51 -4.95 121.20 119.96 3koc s ILE 153 Ca -0.07 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.39 3koc s ILE 153 Cb -0.15 -1.73 -0.02 0.00 -1.58 0.00 0.00 42.46 38.98 3koc s ILE 153 CO 0.03 0.55 -0.13 -0.47 -1.23 0.00 0.00 174.94 173.69 3koc s TYR 154 N 0.32 2.76 -0.04 3.97 5.04 -1.26 -0.92 117.35 127.22 3koc s TYR 154 Ca -0.17 -0.27 -0.01 0.00 -2.44 0.00 0.00 57.07 54.18 3koc s TYR 154 Cb -0.17 -1.70 0.03 0.00 0.35 0.00 0.00 41.96 40.46 3koc s TYR 154 CO 0.08 0.09 0.02 0.42 -1.34 0.00 0.00 175.55 174.83 3koc s ILE 155 N -0.44 0.08 -0.24 3.14 1.01 -0.86 -5.01 121.20 118.89 3koc s ILE 155 Ca 0.05 0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 3koc s ILE 155 Cb -0.12 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 3koc s ILE 155 CO 0.02 0.17 0.02 -0.62 0.00 0.00 0.00 174.94 174.53 3koc s ASP 156 N 1.59 4.74 -0.23 3.58 -1.08 -1.26 -1.33 116.67 122.67 3koc s ASP 156 Ca -0.02 -0.33 -0.00 0.00 -0.52 0.00 0.00 52.55 51.67 3koc s ASP 156 Cb -0.13 -1.83 0.17 0.00 -1.46 0.00 0.00 42.92 39.67 3koc s ASP 156 CO -0.03 -0.04 1.93 0.35 0.52 0.00 0.00 175.17 177.90 3koc n THR 157 N 4.86 2.50 -1.66 1.71 -2.24 -0.50 -3.46 114.28 115.49 3koc n THR 157 Ca -0.17 -1.30 -0.06 0.00 -2.27 0.00 0.00 64.05 60.25 3koc n THR 157 Cb 0.51 -1.31 0.15 0.00 -2.10 0.00 0.00 70.33 67.58 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 0.53 1.14 -0.73 4.78 8.25 -1.26 -4.68 115.22 123.26 3koc n HIS 158 Ca 0.23 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.90 3koc n HIS 158 Cb 0.60 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3koc n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73