#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 0.77 -0.03 2.12 0.52 -0.11 -0.95 118.95 121.27 3koc s ARG 2 Ca 0.00 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 3koc s ARG 2 Cb 0.00 -0.74 0.03 0.00 0.52 0.00 0.00 34.95 34.76 3koc s ARG 2 CO 0.00 0.12 0.07 0.54 0.02 0.00 0.00 175.30 176.05 3koc s VAL 3 N 0.09 -0.04 -0.38 3.52 0.11 -0.90 -0.39 120.40 122.41 3koc s VAL 3 Ca -0.01 0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 59.07 3koc s VAL 3 Cb -0.06 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 3koc s VAL 3 CO 0.00 0.07 0.26 -0.69 -3.33 0.00 0.00 175.10 171.41 3koc s VAL 4 N 0.89 5.16 -0.07 2.04 1.01 0.01 -2.22 120.40 127.22 3koc s VAL 4 Ca -0.07 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 3koc s VAL 4 Cb -0.10 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 3koc s VAL 4 CO -0.03 -0.19 0.40 -0.63 0.00 0.00 0.00 175.10 174.64 3koc s ILE 5 N 1.68 5.15 0.00 2.22 1.01 -0.53 0.13 121.20 130.86 3koc s ILE 5 Ca 0.05 0.79 0.04 0.00 0.00 0.00 0.00 60.65 61.53 3koc s ILE 5 Cb -0.18 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3koc s ILE 5 CO 0.10 0.47 -0.13 -1.10 0.00 0.00 0.00 174.94 174.27 3koc s GLN 6 N -0.25 1.02 -0.03 2.79 -0.21 -0.64 0.18 119.66 122.51 3koc s GLN 6 Ca 0.23 -0.54 -0.23 0.00 0.02 0.00 0.00 55.36 54.84 3koc s GLN 6 Cb -0.15 -0.99 -0.04 0.00 1.00 0.00 0.00 33.01 32.82 3koc s GLN 6 CO 0.10 0.27 0.67 0.50 -2.12 0.00 0.00 175.29 174.71 3koc s ARG 7 N -0.51 4.41 0.09 2.91 3.52 -0.38 -1.57 118.95 127.42 3koc s ARG 7 Ca 0.04 0.85 0.04 0.00 -0.13 0.00 0.00 55.73 56.53 3koc s ARG 7 Cb -0.06 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 3koc s ARG 7 CO -0.00 0.19 -0.11 0.14 -0.81 0.00 0.00 175.30 174.71 3koc s VAL 8 N 0.36 1.02 -2.91 7.11 -7.23 0.25 -0.47 120.40 118.54 3koc s VAL 8 Ca 0.35 -1.55 0.24 0.00 -1.81 0.00 0.00 61.98 59.21 3koc s VAL 8 Cb -0.18 -1.29 0.21 0.00 0.56 0.00 0.00 36.38 35.68 3koc s VAL 8 CO 0.18 -0.46 1.29 0.29 -0.31 0.00 0.00 175.10 176.10 3koc n LYS 9 N 0.75 2.21 0.00 4.82 5.02 -0.51 -2.16 118.16 128.29 3koc n LYS 9 Ca -0.17 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 3koc n LYS 9 Cb 0.57 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.34 2.91 3.50 0.72 0.00 -1.15 -2.98 105.19 109.53 3koc n GLY 10 Ca 0.14 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.51 -0.19 4.61 0.00 -0.34 -0.82 121.76 121.52 3koc s ALA 11 Ca 0.00 1.84 -0.01 0.00 0.00 0.00 0.00 51.96 53.80 3koc s ALA 11 Cb 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 23.12 22.09 3koc s ALA 11 CO 0.00 -0.30 -0.03 0.42 0.00 0.00 0.00 175.76 175.84 3koc s ILE 12 N 0.82 1.08 -0.21 0.00 1.01 0.05 -1.22 121.20 122.72 3koc s ILE 12 Ca -0.04 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3koc s ILE 12 Cb -0.05 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 41.03 3koc s ILE 12 CO -0.07 0.01 0.15 -0.22 0.00 0.00 0.00 174.94 174.82 3koc s LEU 13 N 1.63 4.17 0.15 2.97 0.20 0.14 -1.76 118.68 126.18 3koc s LEU 13 Ca -0.01 0.20 0.07 0.00 0.69 0.00 0.00 54.13 55.08 3koc s LEU 13 Cb -0.16 -2.12 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 3koc s LEU 13 CO -0.07 0.13 -0.15 -0.44 -0.29 0.00 0.00 176.35 175.52 3koc s SER 14 N 0.65 2.31 0.39 3.68 0.01 0.53 -0.92 113.70 120.34 3koc s SER 14 Ca 0.08 -0.88 0.04 0.00 1.31 0.00 0.00 55.95 56.51 3koc s SER 14 Cb -0.12 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 3koc s SER 14 CO 0.01 -0.13 0.16 0.68 0.41 0.00 0.00 173.24 174.38 3koc s VAL 15 N -2.34 0.44 0.35 3.43 -7.23 -0.66 0.14 120.40 114.54 3koc s VAL 15 Ca 0.14 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.06 3koc s VAL 15 Cb -0.04 -2.38 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 3koc s VAL 15 CO 0.05 0.00 0.99 -0.13 -0.31 0.00 0.00 175.10 175.69 3koc s ARG 16 N -3.66 4.42 0.00 4.82 0.52 -1.26 -1.01 118.95 122.79 3koc s ARG 16 Ca 0.28 1.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 3koc s ARG 16 Cb 0.03 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.81 3koc s ARG 16 CO 0.17 0.12 0.00 -1.91 0.02 0.00 0.00 175.30 173.70 3koc n GLU 26 N 0.29 0.00 -4.05 3.54 2.13 -1.26 -4.72 120.64 116.58 3koc n GLU 26 Ca 0.03 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.64 3koc n GLU 26 Cb 0.50 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.17 3koc n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3koc s LEU 27 N 0.00 3.92 -0.02 4.31 1.43 -1.26 -5.12 118.68 121.93 3koc s LEU 27 Ca 0.00 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3koc s LEU 27 Cb 0.00 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.75 3koc s LEU 27 CO 0.00 -0.07 -0.11 -0.70 0.23 0.00 0.00 176.35 175.69 3koc s GLU 28 N -3.89 1.09 0.32 1.70 2.12 -0.18 -4.96 118.70 114.89 3koc s GLU 28 Ca 0.34 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.99 3koc s GLU 28 Cb -0.08 -1.01 -0.10 0.00 0.26 0.00 0.00 34.13 33.20 3koc s GLU 28 CO 0.26 0.18 1.22 0.42 -0.54 0.00 0.00 175.26 176.81 3koc s ILE 29 N 0.00 3.02 0.00 -3.70 1.01 -1.26 -1.66 121.20 118.61 3koc s ILE 29 Ca -0.00 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.66 3koc s ILE 29 Cb -0.08 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.75 3koc s ILE 29 CO 0.00 0.23 0.35 2.30 0.00 0.00 0.00 174.94 177.83 3koc n ILE 30 N 0.87 0.03 -3.64 2.92 -5.35 -0.10 -4.94 119.36 109.16 3koc n ILE 30 Ca -0.00 -0.04 -0.09 0.00 -0.27 0.00 0.00 62.75 62.35 3koc n ILE 30 Cb 0.43 1.31 -0.07 0.00 -1.74 0.00 0.00 39.64 39.57 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 -0.03 -0.45 -0.15 7.28 0.01 -1.16 -4.95 113.70 114.25 3koc s SER 31 Ca 0.00 0.86 -0.08 0.00 1.31 0.00 0.00 55.95 58.05 3koc s SER 31 Cb 0.00 0.87 0.06 0.00 0.21 0.00 0.00 66.02 67.16 3koc s SER 31 CO 0.00 -0.15 0.35 -1.61 0.41 0.00 0.00 173.24 172.24 3koc s GLU 32 N 0.20 0.32 0.18 12.44 2.02 -1.26 0.24 118.70 132.84 3koc s GLU 32 Ca 0.03 0.73 0.11 0.00 0.02 0.00 0.00 54.97 55.86 3koc s GLU 32 Cb -0.05 -0.03 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 3koc s GLU 32 CO -0.06 -0.17 -0.24 0.96 0.02 0.00 0.00 175.26 175.77 3koc s ILE 33 N 1.50 2.26 0.00 -1.63 -4.36 -0.36 -4.98 121.20 113.64 3koc s ILE 33 Ca -0.08 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3koc s ILE 33 Cb -0.09 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.56 3koc s ILE 33 CO -0.11 -0.10 0.00 0.29 0.24 0.00 0.00 174.94 175.25 3koc n LYS 34 N 0.40 3.44 -1.63 0.37 4.76 -1.26 -1.19 118.16 123.04 3koc n LYS 34 Ca -0.14 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.83 3koc n LYS 34 Cb 0.56 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.71 3koc n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3koc n ASN 35 N 0.00 2.20 0.00 4.39 3.02 -1.16 -2.94 115.26 120.76 3koc n ASN 35 Ca 0.00 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 3koc n ASN 35 Cb 0.00 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.85 3koc n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3koc n GLY 36 N 2.40 -0.55 3.47 7.41 0.00 -0.92 -2.78 105.19 114.22 3koc n GLY 36 Ca 0.15 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 2.70 -0.39 0.99 1.43 -0.74 -0.58 118.68 122.08 3koc s LEU 37 Ca 0.00 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3koc s LEU 37 Cb 0.00 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.70 3koc s LEU 37 CO 0.00 0.32 0.24 -0.51 0.23 0.00 0.00 176.35 176.64 3koc s ILE 38 N -0.78 4.74 -0.30 -0.59 2.07 -0.61 -1.10 121.20 124.63 3koc s ILE 38 Ca 0.12 -0.87 -0.17 0.00 -1.41 0.00 0.00 60.65 58.33 3koc s ILE 38 Cb -0.11 -3.68 -0.02 0.00 0.13 0.00 0.00 42.46 38.79 3koc s ILE 38 CO 0.02 -0.29 0.45 0.00 -1.91 0.00 0.00 174.94 173.20 3koc s PHE 40 N 2.23 3.21 -0.16 0.00 0.08 0.12 -1.93 117.98 121.52 3koc s PHE 40 Ca 0.17 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.25 3koc s PHE 40 Cb -0.16 -2.67 -0.00 0.00 -0.57 0.00 0.00 43.02 39.63 3koc s PHE 40 CO 0.11 -0.41 -0.15 -1.17 -0.10 0.00 0.00 175.22 173.50 3koc s LEU 41 N 2.03 2.47 -0.13 -0.37 2.96 -0.28 -0.81 118.68 124.55 3koc s LEU 41 Ca 0.12 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3koc s LEU 41 Cb -0.16 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3koc s LEU 41 CO 0.12 0.07 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.30 3koc s GLY 42 N 0.88 1.63 -0.24 7.98 0.00 0.47 0.22 107.32 118.26 3koc s GLY 42 Ca -0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.70 3koc s GLY 42 CO -0.01 -0.20 0.23 -0.42 0.00 0.00 0.00 173.10 172.70 3koc s ILE 43 N 0.22 5.30 0.47 0.90 1.01 -1.26 -0.93 121.20 126.91 3koc s ILE 43 Ca -0.06 0.33 -0.21 0.00 0.00 0.00 0.00 60.65 60.71 3koc s ILE 43 Cb -0.15 -3.57 -0.08 0.00 0.01 0.00 0.00 42.46 38.67 3koc s ILE 43 CO 0.04 0.30 1.07 -2.28 0.00 0.00 0.00 174.94 174.08 3koc s HIS 44 N 1.26 2.98 0.31 3.97 2.46 -1.26 -1.48 115.29 123.54 3koc s HIS 44 Ca 0.11 1.58 0.08 0.00 0.47 0.00 0.00 55.06 57.30 3koc s HIS 44 Cb -0.14 -3.16 0.89 0.00 -0.13 0.00 0.00 32.58 30.04 3koc s HIS 44 CO 0.06 -1.01 1.66 1.57 -2.47 0.00 0.00 174.74 174.55 3koc h LYS 45 N 1.78 0.27 -0.69 2.88 -0.00 -1.54 -1.56 116.57 117.70 3koc h LYS 45 Ca -0.49 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 3koc h LYS 45 Cb 1.23 -0.06 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 3koc h LYS 45 CO 0.60 0.18 0.00 0.09 -0.00 0.00 0.00 179.45 180.31 3koc n ASN 46 N -5.14 4.09 -4.70 7.07 3.02 -1.26 -4.85 115.26 113.50 3koc n ASN 46 Ca 0.26 -2.16 -0.44 0.00 -0.03 0.00 0.00 54.58 52.22 3koc n ASN 46 Cb 0.83 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 3koc n ASN 46 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3koc n ASP 47 N 1.38 3.10 -4.80 6.41 8.00 -0.59 -5.01 116.55 125.04 3koc n ASP 47 Ca 0.24 1.15 -0.23 0.00 0.71 0.00 0.00 54.79 56.66 3koc n ASP 47 Cb 0.70 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.26 3koc n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3koc s THR 48 N -0.16 2.44 0.59 -3.53 -4.23 -1.26 -5.01 115.64 104.48 3koc s THR 48 Ca 0.65 -1.54 0.28 0.00 -1.18 0.00 0.00 61.69 59.91 3koc s THR 48 Cb -0.59 -2.98 0.36 0.00 1.34 0.00 0.00 72.50 70.63 3koc s THR 48 CO 0.51 0.00 2.10 -0.25 -0.54 0.00 0.00 174.62 176.44 3koc h TRP 49 N 1.24 0.00 -0.15 3.99 -0.00 -2.00 -1.46 115.95 117.56 3koc h TRP 49 Ca -0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.46 3koc h TRP 49 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.41 3koc h TRP 49 CO 0.59 0.00 0.05 0.93 -0.00 0.00 0.00 178.44 180.01 3koc h GLU 50 N 0.00 0.24 -0.06 2.65 4.39 -1.99 0.29 114.58 120.10 3koc h GLU 50 Ca 0.09 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.75 3koc h GLU 50 Cb 0.48 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 3koc h GLU 50 CO -0.00 0.36 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.57 3koc h ASP 51 N 0.07 -0.61 -0.65 1.42 3.32 -1.66 -1.65 116.42 116.66 3koc h ASP 51 Ca 0.05 0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.26 3koc h ASP 51 Cb 0.22 0.24 -0.11 0.00 0.22 0.00 0.00 39.33 39.90 3koc h ASP 51 CO -0.00 -0.17 -0.47 0.00 -1.72 0.00 0.00 179.24 176.89 3koc h ALA 52 N -1.01 -0.37 -0.90 3.45 0.00 -1.47 -1.41 119.26 117.55 3koc h ALA 52 Ca 0.01 0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.26 3koc h ALA 52 Cb 0.24 1.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 3koc h ALA 52 CO -0.16 -0.86 0.39 -0.07 0.00 0.00 0.00 179.25 178.55 3koc h LEU 53 N -0.20 0.31 0.09 0.00 3.38 -0.60 -0.67 115.31 117.62 3koc h LEU 53 Ca 0.18 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 3koc h LEU 53 Cb 0.55 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3koc h LEU 53 CO -0.73 -0.01 -0.04 0.22 0.09 0.00 0.00 178.44 177.96 3koc h TYR 54 N 0.39 -0.11 0.09 1.13 3.20 -0.31 0.58 116.97 121.94 3koc h TYR 54 Ca 0.56 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.44 3koc h TYR 54 Cb 1.07 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.33 3koc h TYR 54 CO -0.14 0.15 -0.50 0.82 -1.64 0.00 0.00 178.16 176.85 3koc h ILE 55 N -0.36 0.00 -0.76 1.81 1.08 -0.61 0.25 117.51 118.92 3koc h ILE 55 Ca -0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.63 3koc h ILE 55 Cb 0.30 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.92 3koc h ILE 55 CO 0.02 0.00 -0.03 0.40 -0.69 0.00 0.00 178.15 177.85 3koc h ILE 56 N -0.69 0.32 -0.46 -0.67 2.04 -1.11 0.68 117.51 117.61 3koc h ILE 56 Ca -0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3koc h ILE 56 Cb 0.70 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3koc h ILE 56 CO -0.28 0.01 0.23 -0.09 0.00 0.00 0.00 178.15 178.03 3koc h ARG 57 N 0.08 0.66 0.24 2.37 2.43 0.95 -2.26 114.38 118.85 3koc h ARG 57 Ca 0.41 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3koc h ARG 57 Cb 0.70 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3koc h ARG 57 CO -0.69 0.54 -0.12 0.87 -1.51 0.00 0.00 179.97 179.07 3koc h LYS 58 N 0.61 -0.31 -0.81 0.20 1.79 0.12 -1.65 116.57 116.51 3koc h LYS 58 Ca 0.16 0.02 0.20 0.00 -2.18 0.00 0.00 60.65 58.85 3koc h LYS 58 Cb 0.09 0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 30.68 3koc h LYS 58 CO -0.02 -0.04 0.13 0.00 -1.08 0.00 0.00 179.45 178.44 3koc h LEU 60 N 0.18 0.60 0.00 0.00 3.38 -1.38 -3.39 115.31 114.70 3koc h LEU 60 Ca 0.47 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3koc h LEU 60 Cb 0.88 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3koc h LEU 60 CO -0.64 1.09 -1.51 0.59 0.09 0.00 0.00 178.44 178.07 3koc n ASN 61 N -4.29 0.47 -4.66 -0.43 3.02 -0.63 -3.66 115.26 105.08 3koc n ASN 61 Ca -0.07 -0.43 -0.47 0.00 -0.03 0.00 0.00 54.58 53.58 3koc n ASN 61 Cb 0.55 1.49 -0.04 0.00 -0.61 0.00 0.00 39.78 41.16 3koc n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3koc n LEU 62 N -1.92 3.01 -4.37 3.41 4.77 0.35 -4.65 117.00 117.59 3koc n LEU 62 Ca -0.00 1.07 -0.45 0.00 -0.03 0.00 0.00 56.01 56.59 3koc n LEU 62 Cb 0.46 -1.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.13 3koc n LEU 62 CO 0.44 -0.32 0.49 -0.13 -1.33 0.00 0.00 177.39 176.54 3koc s ARG 63 N 1.49 3.29 0.00 3.23 0.52 -1.26 -4.01 118.95 122.21 3koc s ARG 63 Ca 0.82 -1.75 0.13 0.00 -0.52 0.00 0.00 55.73 54.41 3koc s ARG 63 Cb -0.71 -4.43 0.10 0.00 0.52 0.00 0.00 34.95 30.42 3koc s ARG 63 CO 0.42 -1.50 0.90 1.28 0.02 0.00 0.00 175.30 176.43 3koc n LEU 64 N 5.63 2.05 -4.63 2.53 4.77 0.04 -3.76 117.00 123.63 3koc n LEU 64 Ca 0.02 -0.99 -0.30 0.00 -0.03 0.00 0.00 56.01 54.72 3koc n LEU 64 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3koc n LEU 64 CO 0.50 0.38 -0.38 0.26 -1.33 0.00 0.00 177.39 176.82 3koc s TRP 65 N -1.12 2.85 0.78 -1.77 0.51 -0.84 -4.73 118.94 114.62 3koc s TRP 65 Ca 0.15 -0.10 -0.11 0.00 -2.12 0.00 0.00 56.10 53.92 3koc s TRP 65 Cb 0.11 -1.47 0.06 0.00 -0.81 0.00 0.00 33.47 31.36 3koc s TRP 65 CO 0.17 0.46 1.09 -0.80 -0.51 0.00 0.00 176.95 177.36 3koc s ASN 66 N -2.32 4.45 -0.34 2.95 -0.87 -1.26 -0.93 114.94 116.62 3koc s ASN 66 Ca 0.24 1.74 0.01 0.00 -1.57 0.00 0.00 52.86 53.27 3koc s ASN 66 Cb -0.11 -2.45 0.11 0.00 -0.02 0.00 0.00 41.25 38.77 3koc s ASN 66 CO 0.16 -2.05 0.12 0.21 -2.57 0.00 0.00 177.10 172.96 3koc s ASN 67 N -3.46 4.10 0.68 -1.22 3.04 0.47 -4.66 114.94 113.91 3koc s ASN 67 Ca 0.61 -1.94 0.00 0.00 0.04 0.00 0.00 52.86 51.57 3koc s ASN 67 Cb -0.17 -1.05 0.00 0.00 -1.54 0.00 0.00 41.25 38.49 3koc s ASN 67 CO 0.56 -0.38 0.00 0.47 -3.04 0.00 0.00 177.10 174.71 3koc n ASP 68 N 4.46 0.00 0.13 -4.21 10.43 -1.26 -0.67 116.55 125.43 3koc n ASP 68 Ca 0.01 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.14 3koc n ASP 68 Cb 0.40 0.00 -0.16 0.00 1.84 0.00 0.00 41.12 43.21 3koc n ASP 68 CO 0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 177.20 175.00 3koc h ASN 69 N 0.00 0.75 -3.19 -2.24 -0.00 -2.03 -3.46 115.58 105.41 3koc h ASN 69 Ca 0.00 -0.87 -0.53 0.00 -0.00 0.00 0.00 56.30 54.89 3koc h ASN 69 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.08 3koc h ASN 69 CO 0.00 1.70 0.56 -0.54 -0.00 0.00 0.00 177.43 179.15 3koc s LYS 70 N -2.60 4.43 0.59 6.67 3.01 0.15 -5.05 119.74 126.95 3koc s LYS 70 Ca -0.10 1.77 -0.01 0.00 -1.01 0.00 0.00 55.97 56.61 3koc s LYS 70 Cb 0.05 -3.35 0.04 0.00 -1.01 0.00 0.00 37.83 33.55 3koc s LYS 70 CO 0.92 -0.26 0.84 0.95 0.51 0.00 0.00 175.35 178.31 3koc s THR 71 N 1.08 2.69 -0.99 2.17 -4.23 -1.26 0.18 115.64 115.28 3koc s THR 71 Ca 0.59 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.50 3koc s THR 71 Cb -0.29 -3.06 0.01 0.00 1.34 0.00 0.00 72.50 70.50 3koc s THR 71 CO 0.29 -0.05 0.17 0.79 -0.54 0.00 0.00 174.62 175.28 3koc n TRP 72 N -2.51 -0.90 -0.08 3.99 7.02 -1.24 -4.82 117.44 118.92 3koc n TRP 72 Ca 0.07 0.28 -0.15 0.00 -1.02 0.00 0.00 57.50 56.69 3koc n TRP 72 Cb 0.60 -1.92 -0.06 0.00 -2.42 0.00 0.00 31.31 27.51 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 -1.65 1.49 -4.72 -0.99 2.03 -0.10 -4.77 116.55 107.83 3koc n ASP 73 Ca -0.17 0.13 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 3koc n ASP 73 Cb 0.45 -0.40 -0.08 0.00 -0.72 0.00 0.00 41.12 40.36 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 -2.28 2.92 0.57 -0.67 -0.14 -0.95 -4.85 119.74 114.33 3koc s LYS 74 Ca -0.21 -0.53 0.03 0.00 -1.36 0.00 0.00 55.97 53.90 3koc s LYS 74 Cb 0.08 -2.76 0.06 0.00 -1.68 0.00 0.00 37.83 33.53 3koc s LYS 74 CO 0.28 0.64 0.79 0.54 -0.76 0.00 0.00 175.35 176.85 3koc s ASN 75 N -1.53 5.09 0.35 2.83 2.20 -1.26 -0.78 114.94 121.84 3koc s ASN 75 Ca 0.20 -0.32 0.07 0.00 -0.94 0.00 0.00 52.86 51.87 3koc s ASN 75 Cb -0.12 -0.42 0.77 0.00 -2.00 0.00 0.00 41.25 39.49 3koc s ASN 75 CO 0.10 -1.28 1.89 1.62 -2.94 0.00 0.00 177.10 176.49 3koc h VAL 76 N 0.05 0.89 -0.24 3.54 3.04 -1.69 -1.95 116.25 119.88 3koc h VAL 76 Ca -0.38 -0.25 -0.06 0.00 -1.01 0.00 0.00 66.70 64.99 3koc h VAL 76 Cb 1.28 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.64 3koc h VAL 76 CO 0.46 0.14 -0.10 0.11 -1.01 0.00 0.00 177.57 177.17 3koc h LYS 77 N 0.74 0.49 -0.95 4.17 1.57 -1.85 -0.21 116.57 120.54 3koc h LYS 77 Ca 0.42 -0.21 0.16 0.00 -1.87 0.00 0.00 60.65 59.15 3koc h LYS 77 Cb 0.59 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 3koc h LYS 77 CO -0.18 0.75 0.60 -0.44 -0.57 0.00 0.00 179.45 179.60 3koc h ASP 78 N 0.22 0.71 -0.14 0.86 3.32 -1.70 0.26 116.42 119.95 3koc h ASP 78 Ca 0.06 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3koc h ASP 78 Cb 0.59 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3koc h ASP 78 CO 0.03 0.32 0.00 0.18 -1.72 0.00 0.00 179.24 178.06 3koc n LEU 79 N -4.62 1.96 -3.58 1.55 4.77 -1.18 -4.94 117.00 110.96 3koc n LEU 79 Ca 0.20 -0.77 -0.21 0.00 -0.03 0.00 0.00 56.01 55.20 3koc n LEU 79 Cb 0.51 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.58 3koc n LEU 79 CO 0.27 0.38 0.10 -3.20 -1.33 0.00 0.00 177.39 173.61 3koc n ASN 80 N 0.52 -3.10 -5.01 -1.43 2.85 0.91 -5.02 115.26 104.97 3koc n ASN 80 Ca 0.17 -0.66 -0.17 0.00 -0.11 0.00 0.00 54.58 53.81 3koc n ASN 80 Cb 0.40 -4.75 0.01 0.00 1.24 0.00 0.00 39.78 36.68 3koc n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3koc s TYR 81 N -3.42 2.76 0.33 1.20 2.02 -0.10 -5.03 117.35 115.11 3koc s TYR 81 Ca 0.20 -0.41 0.07 0.00 -0.37 0.00 0.00 57.07 56.56 3koc s TYR 81 Cb -0.09 -2.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 3koc s TYR 81 CO 0.76 -0.44 0.32 -1.21 -1.57 0.00 0.00 175.55 173.41 3koc s GLU 82 N -4.36 2.83 -0.03 -0.62 2.02 -1.12 -4.72 118.70 112.71 3koc s GLU 82 Ca 0.55 -1.21 0.04 0.00 0.02 0.00 0.00 54.97 54.37 3koc s GLU 82 Cb -0.10 -2.56 -0.00 0.00 0.10 0.00 0.00 34.13 31.57 3koc s GLU 82 CO 0.33 0.11 -0.15 -0.51 0.02 0.00 0.00 175.26 175.07 3koc s LEU 83 N -4.02 1.92 -0.32 1.80 1.02 0.30 -1.79 118.68 117.59 3koc s LEU 83 Ca 0.41 -0.29 -0.08 0.00 0.02 0.00 0.00 54.13 54.19 3koc s LEU 83 Cb -0.07 -0.82 0.02 0.00 0.02 0.00 0.00 46.19 45.34 3koc s LEU 83 CO 0.27 0.15 0.12 -0.22 0.02 0.00 0.00 176.35 176.69 3koc s LEU 84 N -0.06 4.16 -0.37 1.79 2.96 -0.26 -0.97 118.68 125.93 3koc s LEU 84 Ca -0.00 -0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 52.96 3koc s LEU 84 Cb -0.09 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.69 3koc s LEU 84 CO 0.01 -0.26 0.22 -0.63 -1.32 0.00 0.00 176.35 174.38 3koc s ILE 85 N 1.51 4.85 -0.11 6.68 -1.09 -0.72 -0.97 121.20 131.34 3koc s ILE 85 Ca 0.02 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 57.82 3koc s ILE 85 Cb -0.18 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.06 3koc s ILE 85 CO 0.04 -0.17 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.72 3koc s VAL 86 N 1.62 2.62 -0.13 2.92 1.01 -0.81 -3.22 120.40 124.41 3koc s VAL 86 Ca 0.04 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 3koc s VAL 86 Cb -0.18 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3koc s VAL 86 CO 0.08 0.54 1.14 -0.55 0.00 0.00 0.00 175.10 176.31 3koc s SER 87 N 0.25 7.07 -0.32 3.32 0.15 -1.26 -1.12 113.70 121.79 3koc s SER 87 Ca -0.12 1.63 0.01 0.00 0.70 0.00 0.00 55.95 58.16 3koc s SER 87 Cb -0.16 -2.55 0.10 0.00 -1.71 0.00 0.00 66.02 61.70 3koc s SER 87 CO 0.07 -0.62 0.09 -1.58 1.20 0.00 0.00 173.24 172.39 3koc s GLN 88 N 2.72 0.95 0.28 5.44 2.00 0.60 -4.85 119.66 126.81 3koc s GLN 88 Ca 0.51 -1.34 0.26 0.00 -2.00 0.00 0.00 55.36 52.79 3koc s GLN 88 Cb -0.20 -2.36 0.82 0.00 0.80 0.00 0.00 33.01 32.07 3koc s GLN 88 CO 0.16 -0.98 1.75 0.27 -0.50 0.00 0.00 175.29 175.99 3koc h PHE 89 N 7.91 0.00 0.00 1.67 -5.15 -1.95 -2.98 116.94 116.44 3koc h PHE 89 Ca -0.10 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.67 3koc h PHE 89 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.18 3koc h PHE 89 CO 0.39 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 176.95 3koc n THR 90 N -2.44 0.26 0.16 0.88 -2.24 -1.26 -2.90 114.28 106.74 3koc n THR 90 Ca 0.04 0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.90 3koc n THR 90 Cb 0.39 -0.85 0.32 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.05 -3.93 3.22 3.38 -1.93 -1.29 115.31 114.81 3koc h LEU 91 Ca 0.00 -0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.37 3koc h LEU 91 Cb 0.05 -0.01 -0.29 0.00 0.09 0.00 0.00 40.66 40.49 3koc h LEU 91 CO 0.00 0.44 0.60 0.49 0.09 0.00 0.00 178.44 180.07 3koc n PHE 92 N -4.06 2.98 -2.56 1.13 3.72 -1.14 -4.84 117.46 112.69 3koc n PHE 92 Ca -0.02 -2.48 -0.41 0.00 -0.05 0.00 0.00 57.45 54.49 3koc n PHE 92 Cb 0.44 -1.13 -0.03 0.00 -0.94 0.00 0.00 39.48 37.81 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 -1.85 1.22 0.12 1.37 0.00 -0.49 -4.15 107.32 103.54 3koc s GLY 93 Ca 0.60 -2.17 -0.31 0.00 0.00 0.00 0.00 44.72 42.84 3koc s GLY 93 CO 0.03 2.69 1.42 0.21 0.00 0.00 0.00 173.10 177.44 3koc s ASN 94 N 4.85 6.79 0.00 1.64 3.84 0.55 -4.80 114.94 127.81 3koc s ASN 94 Ca 0.45 2.36 0.00 0.00 0.21 0.00 0.00 52.86 55.88 3koc s ASN 94 Cb -0.01 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 3koc s ASN 94 CO -0.07 -0.68 0.77 0.35 -2.79 0.00 0.00 177.10 174.67 3koc n THR 95 N 3.97 0.56 0.00 -5.21 -2.24 -1.26 -1.81 114.28 108.29 3koc n THR 95 Ca 0.12 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3koc n THR 95 Cb 0.42 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3koc n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3koc n LYS 96 N -0.28 0.00 -2.63 -0.78 4.01 -1.26 -4.39 118.16 112.83 3koc n LYS 96 Ca 0.00 0.42 -0.43 0.00 -0.51 0.00 0.00 58.31 57.79 3koc n LYS 96 Cb 0.33 -1.34 -0.03 0.00 -0.51 0.00 0.00 35.03 33.49 3koc n LYS 96 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 3koc s LYS 97 N -2.35 3.54 0.00 1.97 -2.85 -1.26 -4.79 119.74 114.00 3koc s LYS 97 Ca 0.00 0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 3koc s LYS 97 Cb 0.00 -3.99 0.00 0.00 -2.06 0.00 0.00 37.83 31.78 3koc s LYS 97 CO 0.00 -1.57 0.00 0.41 0.10 0.00 0.00 175.35 174.29 3koc n GLY 98 N 5.01 -0.50 2.51 0.59 0.00 -1.26 -4.64 105.19 106.91 3koc n GLY 98 Ca 0.08 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.20 7.60 -3.90 1.61 5.03 -1.26 -4.82 115.26 118.31 3koc n ASN 99 Ca 0.00 -3.77 -0.24 0.00 0.87 0.00 0.00 54.58 51.44 3koc n ASN 99 Cb 0.00 -1.02 -0.17 0.00 -1.02 0.00 0.00 39.78 37.57 3koc n ASN 99 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3koc s LYS 100 N -3.80 1.21 -0.43 3.52 1.02 -1.26 -5.11 119.74 114.87 3koc s LYS 100 Ca 0.59 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 3koc s LYS 100 Cb 0.48 -1.25 0.02 0.00 -0.52 0.00 0.00 37.83 36.56 3koc s LYS 100 CO -0.15 -0.17 1.20 -1.25 -0.92 0.00 0.00 175.35 174.06 3koc s PRO 101 N 1.37 3.74 -0.15 -1.68 0.04 -1.26 -4.80 135.00 132.27 3koc s PRO 101 Ca -0.03 0.75 -0.26 0.00 0.04 0.00 0.00 61.00 61.51 3koc s PRO 101 Cb -0.14 -3.91 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 3koc s PRO 101 CO -0.03 -1.35 0.86 0.34 0.04 0.00 0.00 177.00 176.85 3koc s ASP 102 N 2.71 7.02 -0.74 6.66 2.15 -0.75 -4.89 116.67 128.83 3koc s ASP 102 Ca 0.51 1.25 -0.00 0.00 0.43 0.00 0.00 52.55 54.74 3koc s ASP 102 Cb -0.10 -2.47 0.38 0.00 -0.30 0.00 0.00 42.92 40.43 3koc s ASP 102 CO 0.29 -0.38 1.82 0.49 -0.17 0.00 0.00 175.17 177.22 3koc n PHE 103 N 5.04 3.09 0.20 -5.34 3.72 -1.26 -0.33 117.46 122.57 3koc n PHE 103 Ca 0.05 -2.54 -0.08 0.00 -0.05 0.00 0.00 57.45 54.82 3koc n PHE 103 Cb 0.49 -0.96 -0.04 0.00 -0.94 0.00 0.00 39.48 38.03 3koc n PHE 103 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3koc h HIS 104 N 2.81 -0.50 0.00 1.38 -0.00 -1.94 -3.29 115.15 113.60 3koc h HIS 104 Ca 0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.87 3koc h HIS 104 Cb 0.31 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 3koc h HIS 104 CO 1.12 -0.31 0.00 1.28 -0.00 0.00 0.00 177.93 180.01 3koc n LEU 105 N -4.36 0.00 -4.73 0.26 4.77 -1.26 -4.75 117.00 106.93 3koc n LEU 105 Ca -0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 3koc n LEU 105 Cb 0.21 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 3koc n LEU 105 CO 0.16 0.00 0.75 0.00 -1.33 0.00 0.00 177.39 176.98 3koc s ALA 106 N -2.00 3.32 0.73 -1.18 0.00 -1.24 -1.67 121.76 119.72 3koc s ALA 106 Ca 0.10 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 3koc s ALA 106 Cb 0.05 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3koc s ALA 106 CO 0.08 -0.16 1.15 1.63 0.00 0.00 0.00 175.76 178.46 3koc n LYS 107 N 2.65 0.58 -2.71 0.00 4.01 -0.55 -4.49 118.16 117.64 3koc n LYS 107 Ca 0.03 0.26 -0.40 0.00 -0.51 0.00 0.00 58.31 57.69 3koc n LYS 107 Cb 0.47 -2.39 -0.05 0.00 -0.51 0.00 0.00 35.03 32.55 3koc n LYS 107 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3koc s GLU 108 N -3.62 4.78 0.05 1.97 -6.30 -1.26 -4.76 118.70 109.56 3koc s GLU 108 Ca 0.76 1.51 -0.10 0.00 -2.50 0.00 0.00 54.97 54.64 3koc s GLU 108 Cb -0.34 -3.31 -0.02 0.00 0.00 0.00 0.00 34.13 30.46 3koc s GLU 108 CO 0.47 0.37 0.53 -2.30 0.02 0.00 0.00 175.26 174.35 3koc n PRO 109 N 1.98 -0.14 -0.08 4.30 -0.02 -1.26 0.10 135.00 139.88 3koc n PRO 109 Ca -0.00 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.87 3koc n PRO 109 Cb 0.48 -0.76 -0.05 0.00 -0.02 0.00 0.00 33.50 33.14 3koc n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3koc h ASN 110 N 0.00 0.61 -0.24 2.55 2.35 -1.98 0.66 115.58 119.53 3koc h ASN 110 Ca 0.05 -0.46 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 3koc h ASN 110 Cb 0.13 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3koc h ASN 110 CO -0.30 0.94 0.06 -0.33 -1.65 0.00 0.00 177.43 176.15 3koc h GLU 111 N 0.29 0.37 0.10 0.81 5.08 -1.82 -2.52 114.58 116.89 3koc h GLU 111 Ca 0.05 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3koc h GLU 111 Cb 0.75 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3koc h GLU 111 CO 0.05 0.47 -0.37 0.00 -1.00 0.00 0.00 179.01 178.17 3koc h ALA 112 N 0.88 -0.62 -0.56 3.43 0.00 -0.19 0.28 119.26 122.48 3koc h ALA 112 Ca 0.07 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.04 3koc h ALA 112 Cb 0.26 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.55 3koc h ALA 112 CO -0.00 -0.91 -0.20 1.25 0.00 0.00 0.00 179.25 179.38 3koc h LEU 113 N -0.58 -0.71 -0.72 0.00 5.85 0.35 0.28 115.31 119.77 3koc h LEU 113 Ca 0.03 0.19 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 3koc h LEU 113 Cb 0.62 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3koc h LEU 113 CO -0.23 -0.23 -0.55 -0.29 -0.34 0.00 0.00 178.44 176.80 3koc h ILE 114 N -0.07 1.36 -0.17 4.05 6.09 -1.23 -2.75 117.51 124.80 3koc h ILE 114 Ca 0.26 -1.84 -0.04 0.00 -1.37 0.00 0.00 64.86 61.86 3koc h ILE 114 Cb 0.47 1.90 -0.00 0.00 0.47 0.00 0.00 36.82 39.65 3koc h ILE 114 CO -0.61 0.55 -0.07 0.15 -3.07 0.00 0.00 178.15 175.10 3koc h PHE 115 N 0.20 0.39 -0.73 2.19 3.57 0.21 -2.14 116.94 120.63 3koc h PHE 115 Ca 0.00 -0.09 0.16 0.00 3.53 0.00 0.00 57.97 61.58 3koc h PHE 115 Cb 1.03 -0.09 -0.12 0.00 2.79 0.00 0.00 35.95 39.55 3koc h PHE 115 CO 0.02 0.64 0.06 -0.92 -2.23 0.00 0.00 178.31 175.88 3koc h TYR 116 N 0.03 0.06 -0.30 0.41 3.20 -0.47 -1.67 116.97 118.22 3koc h TYR 116 Ca 0.04 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 3koc h TYR 116 Cb 0.53 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3koc h TYR 116 CO 0.06 -0.19 -0.29 -0.91 -1.64 0.00 0.00 178.16 175.19 3koc h ASN 117 N 0.15 0.65 -0.33 -2.11 4.21 -1.32 -0.26 115.58 116.56 3koc h ASN 117 Ca 0.41 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3koc h ASN 117 Cb 0.71 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 3koc h ASN 117 CO -0.60 0.91 0.22 0.11 -1.29 0.00 0.00 177.43 176.78 3koc h LYS 118 N 0.54 0.44 -0.22 0.81 1.57 -0.66 0.16 116.57 119.20 3koc h LYS 118 Ca 0.07 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3koc h LYS 118 Cb 0.78 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.92 3koc h LYS 118 CO 0.06 0.29 -0.24 0.82 -0.57 0.00 0.00 179.45 179.81 3koc h ILE 119 N 0.45 0.39 -0.47 1.86 2.04 -0.98 -1.24 117.51 119.57 3koc h ILE 119 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 3koc h ILE 119 Cb -0.05 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3koc h ILE 119 CO -0.03 0.00 0.31 0.40 0.00 0.00 0.00 178.15 178.84 3koc h ILE 120 N -0.26 1.03 0.27 -0.67 1.08 -0.36 0.22 117.51 118.81 3koc h ILE 120 Ca 0.13 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3koc h ILE 120 Cb 0.46 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 3koc h ILE 120 CO -0.37 0.09 -0.13 0.44 -0.69 0.00 0.00 178.15 177.49 3koc h ASP 121 N 0.50 -0.30 -0.87 1.72 3.32 -0.60 -2.43 116.42 117.76 3koc h ASP 121 Ca 0.19 -0.18 0.10 0.00 0.02 0.00 0.00 57.03 57.17 3koc h ASP 121 Cb 0.15 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 3koc h ASP 121 CO -0.05 0.03 0.56 -0.08 -1.72 0.00 0.00 179.24 177.98 3koc h GLU 122 N -0.66 0.80 0.71 3.56 4.57 0.01 0.14 114.58 123.70 3koc h GLU 122 Ca -0.04 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3koc h GLU 122 Cb 0.46 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3koc h GLU 122 CO 0.06 0.53 -0.39 0.74 -1.18 0.00 0.00 179.01 178.77 3koc h PHE 123 N 0.83 -1.04 -0.20 0.92 0.04 -0.61 0.33 116.94 117.20 3koc h PHE 123 Ca 0.41 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.22 3koc h PHE 123 Cb 0.45 0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 3koc h PHE 123 CO -0.00 -0.61 0.16 0.87 -0.60 0.00 0.00 178.31 178.13 3koc h LYS 124 N -1.02 0.00 0.19 1.51 1.57 -0.71 0.19 116.57 118.29 3koc h LYS 124 Ca -0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3koc h LYS 124 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3koc h LYS 124 CO 0.12 0.00 -0.09 0.87 -0.57 0.00 0.00 179.45 179.78 3koc h LYS 125 N 0.00 -0.25 0.00 3.15 1.57 -0.45 -3.16 116.57 117.43 3koc h LYS 125 Ca 0.10 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3koc h LYS 125 Cb 0.41 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3koc h LYS 125 CO -0.00 0.15 -0.24 1.96 -0.57 0.00 0.00 179.45 180.75 3koc h GLN 126 N -0.77 0.00 0.00 3.15 4.20 0.67 -3.42 115.11 118.94 3koc h GLN 126 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3koc h GLN 126 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3koc h GLN 126 CO 0.04 0.24 0.00 0.98 -0.67 0.00 0.00 178.83 179.42 3koc n TYR 127 N -3.50 0.00 -3.69 2.96 4.19 0.56 -5.08 117.16 112.60 3koc n TYR 127 Ca -0.00 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.06 3koc n TYR 127 Cb 0.40 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 40.15 3koc n TYR 127 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 3koc s ASN 128 N 0.37 -0.44 0.46 2.98 3.84 -1.19 -4.94 114.94 116.01 3koc s ASN 128 Ca 0.00 0.67 0.15 0.00 0.21 0.00 0.00 52.86 53.88 3koc s ASN 128 Cb 0.00 0.71 1.08 0.00 -0.55 0.00 0.00 41.25 42.49 3koc s ASN 128 CO 0.00 -0.33 2.02 -0.78 -2.79 0.00 0.00 177.10 175.22 3koc h ASP 129 N 4.48 0.28 0.92 -4.21 3.58 -1.92 -2.93 116.42 116.62 3koc h ASP 129 Ca -0.28 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 56.97 3koc h ASP 129 Cb 1.17 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 42.13 3koc h ASP 129 CO 0.29 0.18 -1.16 0.44 -2.88 0.00 0.00 179.24 176.12 3koc h ASP 130 N 0.32 0.00 0.44 2.28 5.19 -1.97 -3.31 116.42 119.36 3koc h ASP 130 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3koc h ASP 130 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3koc h ASP 130 CO -0.05 0.80 -0.03 0.29 -3.12 0.00 0.00 179.24 177.13 3koc n LYS 131 N -3.15 0.58 -3.63 3.56 4.76 -1.11 -4.64 118.16 114.53 3koc n LYS 131 Ca -0.06 -0.07 -0.40 0.00 -2.87 0.00 0.00 58.31 54.92 3koc n LYS 131 Cb 0.90 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.49 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 -2.47 4.26 0.18 -0.18 -1.09 -1.24 -0.54 121.20 120.11 3koc s ILE 132 Ca 0.31 -1.14 0.06 0.00 -2.23 0.00 0.00 60.65 57.65 3koc s ILE 132 Cb 0.20 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 3koc s ILE 132 CO 0.45 -0.33 0.12 -0.54 -1.23 0.00 0.00 174.94 173.41 3koc s LYS 133 N 1.47 2.81 0.25 2.79 3.01 -0.15 -5.01 119.74 124.91 3koc s LYS 133 Ca 0.02 -0.94 0.01 0.00 -1.01 0.00 0.00 55.97 54.05 3koc s LYS 133 Cb -0.21 -2.58 -0.05 0.00 -1.01 0.00 0.00 37.83 33.98 3koc s LYS 133 CO 0.04 0.47 0.10 0.96 0.51 0.00 0.00 175.35 177.43 3koc s ILE 134 N -1.79 0.45 0.53 2.17 -4.36 -1.26 -1.76 121.20 115.18 3koc s ILE 134 Ca 0.31 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.77 3koc s ILE 134 Cb -0.10 -2.61 0.05 0.00 1.25 0.00 0.00 42.46 41.05 3koc s ILE 134 CO 0.23 -0.00 0.54 -0.83 0.24 0.00 0.00 174.94 175.11 3koc s GLY 135 N -3.28 2.10 -0.56 6.27 0.00 -1.20 -4.74 107.32 105.91 3koc s GLY 135 Ca 0.38 -1.67 -0.26 0.00 0.00 0.00 0.00 44.72 43.17 3koc s GLY 135 CO 0.13 -1.80 1.05 1.25 0.00 0.00 0.00 173.10 173.72 3koc s LYS 136 N -4.39 3.41 0.25 2.90 2.20 -1.26 -4.95 119.74 117.90 3koc s LYS 136 Ca 0.46 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 3koc s LYS 136 Cb -0.04 -4.03 -0.15 0.00 -1.51 0.00 0.00 37.83 32.10 3koc s LYS 136 CO 0.29 -1.56 1.00 0.34 -0.36 0.00 0.00 175.35 175.06 3koc n PHE 137 N 7.86 1.11 -1.26 4.03 7.35 -1.26 -2.12 117.46 133.16 3koc n PHE 137 Ca 0.05 0.72 -0.09 0.00 -0.76 0.00 0.00 57.45 57.37 3koc n PHE 137 Cb 0.48 -2.23 -0.04 0.00 0.35 0.00 0.00 39.48 38.04 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 1.50 0.91 3.42 7.13 0.00 -1.26 -4.97 105.19 111.92 3koc n GLY 138 Ca 0.12 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.40 3.57 -0.15 1.61 0.02 -0.90 -5.08 114.94 111.60 3koc s ASN 139 Ca 0.00 -0.52 -0.29 0.00 -1.02 0.00 0.00 52.86 51.03 3koc s ASN 139 Cb 0.00 -0.47 -0.05 0.00 0.02 0.00 0.00 41.25 40.75 3koc s ASN 139 CO 0.00 0.24 1.94 -0.47 0.02 0.00 0.00 177.10 178.83 3koc s TYR 140 N -0.92 1.53 0.03 2.20 5.04 -1.26 -4.90 117.35 119.07 3koc s TYR 140 Ca 0.14 0.27 0.06 0.00 -2.44 0.00 0.00 57.07 55.09 3koc s TYR 140 Cb -0.10 -4.04 -0.03 0.00 0.35 0.00 0.00 41.96 38.13 3koc s TYR 140 CO 0.05 -4.08 -0.12 -1.64 -1.34 0.00 0.00 175.55 168.41 3koc s MET 141 N 5.26 2.27 -0.26 4.97 -1.94 -1.26 -4.14 119.30 124.20 3koc s MET 141 Ca 0.87 -0.88 -0.07 0.00 -1.71 0.00 0.00 55.69 53.89 3koc s MET 141 Cb -0.33 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.16 3koc s MET 141 CO 0.35 0.56 0.08 1.21 -0.01 0.00 0.00 175.02 177.21 3koc s ASN 142 N -1.54 5.15 -0.22 3.03 2.47 0.12 -4.97 114.94 118.99 3koc s ASN 142 Ca 0.17 -0.30 0.01 0.00 0.42 0.00 0.00 52.86 53.16 3koc s ASN 142 Cb -0.11 -1.92 0.04 0.00 -1.45 0.00 0.00 41.25 37.81 3koc s ASN 142 CO 0.07 -0.07 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.61 3koc s ILE 143 N 1.60 2.21 -0.31 -5.21 1.01 -1.26 -0.35 121.20 118.90 3koc s ILE 143 Ca 0.06 -1.21 -0.22 0.00 0.00 0.00 0.00 60.65 59.28 3koc s ILE 143 Cb -0.15 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 3koc s ILE 143 CO 0.04 0.28 0.70 -1.81 0.00 0.00 0.00 174.94 174.15 3koc s ASP 144 N 1.22 6.57 -0.10 3.58 1.11 -0.72 -4.94 116.67 123.40 3koc s ASP 144 Ca -0.01 0.52 0.01 0.00 0.18 0.00 0.00 52.55 53.25 3koc s ASP 144 Cb -0.16 -2.36 0.02 0.00 1.07 0.00 0.00 42.92 41.48 3koc s ASP 144 CO -0.09 -0.55 -0.13 -0.69 1.18 0.00 0.00 175.17 174.90 3koc s VAL 145 N 2.77 1.29 -0.62 -1.27 1.01 -1.26 -0.77 120.40 121.54 3koc s VAL 145 Ca 0.28 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3koc s VAL 145 Cb -0.15 -1.20 0.08 0.00 0.00 0.00 0.00 36.38 35.11 3koc s VAL 145 CO 0.12 0.40 0.86 -0.89 0.00 0.00 0.00 175.10 175.60 3koc s THR 146 N 1.02 4.51 -0.04 3.92 2.01 0.00 -5.01 115.64 122.06 3koc s THR 146 Ca -0.07 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 3koc s THR 146 Cb -0.15 -4.59 -0.04 0.00 0.01 0.00 0.00 72.50 67.73 3koc s THR 146 CO -0.01 -1.30 1.31 0.20 -0.69 0.00 0.00 174.62 174.14 3koc s ASN 147 N 3.54 6.94 -1.04 3.53 0.01 -1.26 -1.42 114.94 125.24 3koc s ASN 147 Ca 0.19 1.96 -0.05 0.00 -0.71 0.00 0.00 52.86 54.25 3koc s ASN 147 Cb -0.19 -2.56 0.27 0.00 0.41 0.00 0.00 41.25 39.19 3koc s ASN 147 CO 0.10 -0.67 1.12 -0.67 -1.51 0.00 0.00 177.10 175.47 3koc n ASP 148 N 5.42 5.38 0.00 -1.22 2.03 0.38 -4.64 116.55 123.90 3koc n ASP 148 Ca 0.12 -3.17 0.00 0.00 0.52 0.00 0.00 54.79 52.26 3koc n ASP 148 Cb 0.45 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 3koc n ASP 148 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3koc n GLY 149 N 2.17 -1.97 3.79 0.27 0.00 -1.26 -4.13 105.19 104.05 3koc n GLY 149 Ca 0.24 0.64 -0.31 0.00 0.00 0.00 0.00 46.02 46.59 3koc n GLY 149 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3koc s PRO 150 N 0.00 2.62 -0.21 1.61 0.02 -1.26 -5.16 135.00 132.62 3koc s PRO 150 Ca 0.00 1.14 -0.00 0.00 0.02 0.00 0.00 61.00 62.16 3koc s PRO 150 Cb 0.00 -1.94 0.06 0.00 0.02 0.00 0.00 34.50 32.63 3koc s PRO 150 CO 0.00 -1.36 -0.04 0.08 -0.33 0.00 0.00 177.00 175.35 3koc s VAL 151 N -2.82 1.29 -0.18 3.83 1.01 -1.26 -5.04 120.40 117.23 3koc s VAL 151 Ca 0.61 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 3koc s VAL 151 Cb -0.17 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 3koc s VAL 151 CO 0.52 -0.06 -0.08 -0.89 0.00 0.00 0.00 175.10 174.59 3koc s THR 152 N 1.52 3.21 0.13 3.92 2.01 -1.26 -1.25 115.64 123.92 3koc s THR 152 Ca -0.04 -0.57 0.05 0.00 0.31 0.00 0.00 61.69 61.45 3koc s THR 152 Cb -0.18 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3koc s THR 152 CO -0.07 0.47 0.06 -0.63 -0.69 0.00 0.00 174.62 173.76 3koc s ILE 153 N 0.98 4.20 -0.03 1.82 -1.09 0.13 -4.96 121.20 122.25 3koc s ILE 153 Ca -0.01 -1.08 0.04 0.00 -2.23 0.00 0.00 60.65 57.37 3koc s ILE 153 Cb -0.15 -3.08 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 3koc s ILE 153 CO -0.00 -0.01 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.07 3koc s TYR 154 N -1.57 1.46 -0.09 3.97 5.04 -1.26 -1.46 117.35 123.44 3koc s TYR 154 Ca 0.29 -0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.53 3koc s TYR 154 Cb -0.11 -0.97 0.05 0.00 0.35 0.00 0.00 41.96 41.28 3koc s TYR 154 CO 0.21 -0.09 0.17 0.42 -1.34 0.00 0.00 175.55 174.92 3koc s ILE 155 N -0.12 -0.27 -0.23 3.14 1.01 -0.94 -5.04 121.20 118.75 3koc s ILE 155 Ca 0.01 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 3koc s ILE 155 Cb -0.09 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.08 3koc s ILE 155 CO 0.01 0.14 -0.05 -0.62 0.00 0.00 0.00 174.94 174.42 3koc s ASP 156 N 2.25 4.26 0.22 3.58 -1.08 -1.26 -2.11 116.67 122.53 3koc s ASP 156 Ca 0.02 -0.52 0.23 0.00 -0.52 0.00 0.00 52.55 51.76 3koc s ASP 156 Cb -0.12 -1.71 0.92 0.00 -1.46 0.00 0.00 42.92 40.55 3koc s ASP 156 CO -0.06 -0.05 1.68 0.35 0.52 0.00 0.00 175.17 177.61 3koc n THR 157 N 4.77 0.82 -2.04 1.71 -2.24 -0.12 -3.14 114.28 114.03 3koc n THR 157 Ca -0.18 0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 3koc n THR 157 Cb 0.50 -1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.13 2.94 -1.75 4.78 8.25 -1.26 -4.86 115.22 121.19 3koc n HIS 158 Ca 0.03 -2.86 0.00 0.00 -0.26 0.00 0.00 57.72 54.62 3koc n HIS 158 Cb 0.24 -2.11 0.00 0.00 1.12 0.00 0.00 29.99 29.24 3koc n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73