#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kod s ARG 2 N 0.00 2.43 0.04 2.12 0.52 0.20 -2.02 118.95 122.24 3kod s ARG 2 Ca 0.00 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 3kod s ARG 2 Cb 0.00 -2.45 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 3kod s ARG 2 CO 0.00 0.51 -0.06 0.54 0.02 0.00 0.00 175.30 176.31 3kod s VAL 3 N -1.41 0.39 -0.37 3.52 0.11 -0.24 -0.26 120.40 122.14 3kod s VAL 3 Ca 0.25 -1.18 0.04 0.00 -2.93 0.00 0.00 61.98 58.16 3kod s VAL 3 Cb -0.11 -0.68 0.11 0.00 -1.53 0.00 0.00 36.38 34.16 3kod s VAL 3 CO 0.18 -0.53 0.09 -0.69 -3.33 0.00 0.00 175.10 170.82 3kod s VAL 4 N -1.86 2.23 0.08 2.04 1.01 -0.96 -3.06 120.40 119.88 3kod s VAL 4 Ca -0.08 -2.45 -0.26 0.00 0.00 0.00 0.00 61.98 59.20 3kod s VAL 4 Cb -0.07 -2.63 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 3kod s VAL 4 CO -0.02 -0.64 0.79 -0.63 0.00 0.00 0.00 175.10 174.61 3kod s ILE 5 N 0.75 4.61 -0.03 2.22 1.01 -0.78 -2.14 121.20 126.84 3kod s ILE 5 Ca 0.12 1.70 -0.01 0.00 0.00 0.00 0.00 60.65 62.47 3kod s ILE 5 Cb -0.20 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.15 3kod s ILE 5 CO -0.08 0.40 0.04 -1.10 0.00 0.00 0.00 174.94 174.20 3kod s GLN 6 N -0.34 0.05 0.19 2.79 -0.21 -0.65 -1.13 119.66 120.35 3kod s GLN 6 Ca 0.39 0.25 -0.30 0.00 0.02 0.00 0.00 55.36 55.71 3kod s GLN 6 Cb -0.22 -0.45 -0.08 0.00 1.00 0.00 0.00 33.01 33.26 3kod s GLN 6 CO 0.25 -0.24 1.27 0.50 -2.12 0.00 0.00 175.29 174.94 3kod s ARG 7 N 1.60 4.42 -0.00 2.91 3.52 -0.19 -2.25 118.95 128.96 3kod s ARG 7 Ca -0.02 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 57.57 3kod s ARG 7 Cb -0.13 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 3kod s ARG 7 CO -0.03 -0.20 -0.01 0.14 -0.81 0.00 0.00 175.30 174.39 3kod s VAL 8 N 0.11 0.10 -0.61 7.11 -7.23 0.10 -0.55 120.40 119.44 3kod s VAL 8 Ca 0.56 -0.05 0.24 0.00 -1.81 0.00 0.00 61.98 60.92 3kod s VAL 8 Cb -0.35 -0.10 0.26 0.00 0.56 0.00 0.00 36.38 36.75 3kod s VAL 8 CO 0.37 0.03 1.74 0.29 -0.31 0.00 0.00 175.10 177.22 3kod n LYS 9 N 3.09 0.21 0.00 4.82 4.76 -0.36 -0.79 118.16 129.90 3kod n LYS 9 Ca -0.13 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 3kod n LYS 9 Cb 0.59 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 3kod n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kod n GLY 10 N 0.55 2.51 3.11 0.72 0.00 -0.77 -2.30 105.19 109.00 3kod n GLY 10 Ca 0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 3kod n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kod s ALA 11 N -2.00 0.81 -0.25 4.61 0.00 -0.77 0.31 121.76 124.48 3kod s ALA 11 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3kod s ALA 11 Cb 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.18 3kod s ALA 11 CO 0.00 0.05 -0.04 0.42 0.00 0.00 0.00 175.76 176.19 3kod s ILE 12 N -1.36 1.61 -0.16 0.00 1.01 0.12 -1.62 121.20 120.79 3kod s ILE 12 Ca -0.07 -1.36 -0.17 0.00 0.00 0.00 0.00 60.65 59.05 3kod s ILE 12 Cb -0.10 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3kod s ILE 12 CO 0.01 -0.17 0.44 -0.22 0.00 0.00 0.00 174.94 175.01 3kod s LEU 13 N 1.34 4.21 0.00 2.97 0.20 0.12 -1.63 118.68 125.89 3kod s LEU 13 Ca -0.04 0.67 0.00 0.00 0.69 0.00 0.00 54.13 55.45 3kod s LEU 13 Cb -0.19 -2.61 -0.00 0.00 -0.43 0.00 0.00 46.19 42.96 3kod s LEU 13 CO -0.07 -0.05 -0.01 -0.94 -0.29 0.00 0.00 176.35 174.99 3kod s SER 14 N 0.84 0.14 0.44 3.68 1.04 0.14 -1.05 113.70 118.92 3kod s SER 14 Ca 0.23 -0.05 0.08 0.00 0.48 0.00 0.00 55.95 56.68 3kod s SER 14 Cb -0.15 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.96 3kod s SER 14 CO 0.09 -0.00 0.42 0.68 0.98 0.00 0.00 173.24 175.40 3kod s VAL 15 N -0.11 2.54 -0.10 5.02 -7.23 -0.49 -1.31 120.40 118.73 3kod s VAL 15 Ca -0.01 -1.32 -0.26 0.00 -1.81 0.00 0.00 61.98 58.59 3kod s VAL 15 Cb -0.01 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 3kod s VAL 15 CO -0.00 0.00 0.82 -0.13 -0.31 0.00 0.00 175.10 175.48 3kod s ARG 16 N -4.19 4.41 0.08 4.82 0.52 -1.26 -1.21 118.95 122.12 3kod s ARG 16 Ca 0.48 1.06 -0.00 0.00 -0.52 0.00 0.00 55.73 56.75 3kod s ARG 16 Cb -0.04 -3.50 0.02 0.00 0.52 0.00 0.00 34.95 31.95 3kod s ARG 16 CO 0.28 -0.13 0.11 0.36 0.02 0.00 0.00 175.30 175.94 3kod n LYS 17 N 4.43 0.40 -3.99 3.54 -0.00 -1.10 -4.97 118.16 116.48 3kod n LYS 17 Ca 0.03 -0.27 -0.31 0.00 -0.00 0.00 0.00 58.31 57.76 3kod n LYS 17 Cb 0.50 -0.08 -0.15 0.00 -0.00 0.00 0.00 35.03 35.30 3kod n LYS 17 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3kod s GLU 18 N -2.80 1.68 0.07 -1.58 2.02 -1.26 -5.02 118.70 111.81 3kod s GLU 18 Ca 0.07 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 52.90 3kod s GLU 18 Cb -0.00 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.97 3kod s GLU 18 CO 0.05 -1.01 0.11 0.09 0.02 0.00 0.00 175.26 174.52 3kod n ASN 23 N 3.83 0.00 0.00 -0.19 3.02 -1.26 -5.15 115.26 115.51 3kod n ASN 23 Ca 0.04 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3kod n ASN 23 Cb 0.38 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 3kod n ASN 23 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 3kod n GLU 24 N -0.74 1.87 0.00 3.52 -0.00 -1.26 -5.09 120.64 118.94 3kod n GLU 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3kod n GLU 24 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.55 3kod n GLU 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3kod n LYS 25 N 0.00 0.00 0.00 3.44 3.00 -1.26 -5.11 118.16 118.23 3kod n LYS 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3kod n LYS 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3kod n LYS 25 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3kod n GLU 26 N 0.00 0.00 -3.66 1.64 2.13 -1.26 -5.11 120.64 114.38 3kod n GLU 26 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 3kod n GLU 26 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 3kod n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3kod s LEU 27 N 0.00 4.30 -0.00 4.31 1.43 -1.26 -2.71 118.68 124.75 3kod s LEU 27 Ca 0.00 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 3kod s LEU 27 Cb 0.00 -3.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 3kod s LEU 27 CO 0.00 0.11 -0.04 -1.83 0.23 0.00 0.00 176.35 174.82 3kod s GLU 28 N -2.33 0.32 -0.10 1.70 -1.05 -0.35 -4.94 118.70 111.95 3kod s GLU 28 Ca 0.37 -0.15 -0.17 0.00 -0.15 0.00 0.00 54.97 54.86 3kod s GLU 28 Cb -0.13 -0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.21 3kod s GLU 28 CO 0.22 0.08 0.45 0.42 0.95 0.00 0.00 175.26 177.38 3kod s ILE 29 N -0.12 5.17 0.00 1.83 1.01 -1.26 -1.39 121.20 126.43 3kod s ILE 29 Ca 0.01 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.57 3kod s ILE 29 Cb -0.02 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3kod s ILE 29 CO -0.00 0.37 0.00 2.30 0.00 0.00 0.00 174.94 177.61 3kod n ILE 30 N 3.39 0.00 -3.86 2.92 -5.35 -0.22 -4.98 119.36 111.25 3kod n ILE 30 Ca -0.08 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 3kod n ILE 30 Cb 0.52 0.23 -0.11 0.00 -1.74 0.00 0.00 39.64 38.53 3kod n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3kod s SER 31 N -1.93 -0.02 -0.03 7.28 0.01 -1.11 -5.01 113.70 112.89 3kod s SER 31 Ca 0.00 -0.04 -0.10 0.00 1.31 0.00 0.00 55.95 57.13 3kod s SER 31 Cb 0.00 0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.47 3kod s SER 31 CO 0.00 -0.22 0.22 -1.61 0.41 0.00 0.00 173.24 172.04 3kod s GLU 32 N -0.76 0.47 0.05 12.44 2.02 -1.26 -0.70 118.70 130.95 3kod s GLU 32 Ca -0.08 -0.10 0.01 0.00 0.02 0.00 0.00 54.97 54.81 3kod s GLU 32 Cb -0.05 0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.36 3kod s GLU 32 CO 0.01 -0.11 -0.06 0.96 0.02 0.00 0.00 175.26 176.08 3kod s ILE 33 N -0.88 0.42 0.00 -1.63 -4.36 -0.64 -4.90 121.20 109.21 3kod s ILE 33 Ca -0.10 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 3kod s ILE 33 Cb -0.05 -0.85 0.00 0.00 1.25 0.00 0.00 42.46 42.81 3kod s ILE 33 CO 0.02 -0.59 0.00 0.29 0.24 0.00 0.00 174.94 174.90 3kod n LYS 34 N 1.03 0.00 -1.77 0.37 4.76 -1.26 -1.84 118.16 119.45 3kod n LYS 34 Ca -0.20 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.83 3kod n LYS 34 Cb 0.57 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.76 3kod n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3kod n ASN 35 N 0.00 3.68 0.00 4.39 3.02 -0.97 -1.85 115.26 123.53 3kod n ASN 35 Ca 0.00 1.22 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 3kod n ASN 35 Cb 0.00 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.57 3kod n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kod n GLY 36 N 0.52 -0.24 3.40 7.41 0.00 0.03 -1.80 105.19 114.50 3kod n GLY 36 Ca 0.02 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 3kod n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kod s LEU 37 N 0.00 2.38 -0.06 0.99 1.43 -0.40 -0.72 118.68 122.31 3kod s LEU 37 Ca 0.00 -0.81 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 3kod s LEU 37 Cb 0.00 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 3kod s LEU 37 CO 0.00 0.13 -0.21 -0.51 0.23 0.00 0.00 176.35 175.99 3kod s ILE 38 N -1.42 2.43 -0.10 -0.59 2.07 -0.95 -1.49 121.20 121.15 3kod s ILE 38 Ca 0.17 -0.94 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 3kod s ILE 38 Cb -0.09 -1.91 0.02 0.00 0.13 0.00 0.00 42.46 40.61 3kod s ILE 38 CO 0.08 0.57 -0.09 0.00 -1.91 0.00 0.00 174.94 173.59 3kod s PHE 40 N 1.35 3.55 -0.45 0.00 0.08 -0.91 -2.36 117.98 119.24 3kod s PHE 40 Ca -0.02 -1.70 -0.23 0.00 0.12 0.00 0.00 56.93 55.10 3kod s PHE 40 Cb -0.14 -3.81 0.03 0.00 -0.57 0.00 0.00 43.02 38.53 3kod s PHE 40 CO -0.04 -1.00 0.78 -1.17 -0.10 0.00 0.00 175.22 173.69 3kod s LEU 41 N 0.77 4.27 -0.24 -0.37 0.20 -0.33 -2.27 118.68 120.70 3kod s LEU 41 Ca 0.12 -0.14 -0.13 0.00 0.69 0.00 0.00 54.13 54.67 3kod s LEU 41 Cb -0.19 -2.94 -0.04 0.00 -0.43 0.00 0.00 46.19 42.59 3kod s LEU 41 CO -0.04 -0.92 0.28 -0.83 -0.29 0.00 0.00 176.35 174.55 3kod s GLY 42 N 2.16 1.98 -0.36 7.98 0.00 0.64 0.84 107.32 120.56 3kod s GLY 42 Ca 0.29 -0.80 -0.07 0.00 0.00 0.00 0.00 44.72 44.14 3kod s GLY 42 CO 0.22 0.68 0.14 -0.42 0.00 0.00 0.00 173.10 173.73 3kod s ILE 43 N 1.46 3.82 0.38 0.90 1.01 -1.26 -0.63 121.20 126.88 3kod s ILE 43 Ca 0.12 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.26 3kod s ILE 43 Cb -0.15 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 3kod s ILE 43 CO 0.08 -0.28 1.13 -2.28 0.00 0.00 0.00 174.94 173.58 3kod s HIS 44 N 1.38 3.20 0.43 3.97 2.46 -1.26 -0.42 115.29 125.06 3kod s HIS 44 Ca -0.00 1.60 0.09 0.00 0.47 0.00 0.00 55.06 57.22 3kod s HIS 44 Cb -0.20 -3.30 0.95 0.00 -0.13 0.00 0.00 32.58 29.89 3kod s HIS 44 CO 0.02 -1.01 2.08 1.57 -2.47 0.00 0.00 174.74 174.93 3kod h LYS 45 N 2.78 0.41 -0.93 2.88 -0.00 -1.52 -1.19 116.57 119.01 3kod h LYS 45 Ca -0.48 -0.03 -0.33 0.00 -0.00 0.00 0.00 60.65 59.81 3kod h LYS 45 Cb 1.23 -0.09 -0.19 0.00 -0.00 0.00 0.00 32.23 33.17 3kod h LYS 45 CO 0.63 0.28 0.41 0.09 -0.00 0.00 0.00 179.45 180.87 3kod n ASN 46 N -4.48 3.86 -4.74 7.07 3.02 -1.26 -4.85 115.26 113.87 3kod n ASN 46 Ca 0.02 -3.17 -0.41 0.00 -0.03 0.00 0.00 54.58 50.99 3kod n ASN 46 Cb 0.07 -0.75 -0.04 0.00 -0.61 0.00 0.00 39.78 38.46 3kod n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3kod s ASP 47 N -0.79 7.15 0.01 6.41 1.01 -0.45 -5.01 116.67 125.00 3kod s ASP 47 Ca 0.45 2.21 0.01 0.00 0.71 0.00 0.00 52.55 55.94 3kod s ASP 47 Cb 0.37 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 3kod s ASP 47 CO 0.10 -0.30 0.05 0.42 0.21 0.00 0.00 175.17 175.64 3kod s THR 48 N -0.31 4.45 0.38 -1.27 -4.23 -1.26 -4.98 115.64 108.42 3kod s THR 48 Ca 0.50 -0.55 0.16 0.00 -1.18 0.00 0.00 61.69 60.62 3kod s THR 48 Cb -0.32 -3.03 0.16 0.00 1.34 0.00 0.00 72.50 70.65 3kod s THR 48 CO 0.37 0.32 1.41 -0.25 -0.54 0.00 0.00 174.62 175.94 3kod h TRP 49 N 4.07 0.00 -0.39 3.99 2.91 -1.99 1.24 115.95 125.78 3kod h TRP 49 Ca -0.49 0.00 0.05 0.00 1.13 0.00 0.00 58.89 59.58 3kod h TRP 49 Cb 1.18 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.78 3kod h TRP 49 CO 0.62 0.00 0.12 0.93 -1.03 0.00 0.00 178.44 179.08 3kod h GLU 50 N 0.00 0.26 0.05 2.65 4.39 -2.00 -1.32 114.58 118.61 3kod h GLU 50 Ca 0.00 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kod h GLU 50 Cb 0.94 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 3kod h GLU 50 CO 0.00 0.17 -0.23 -0.44 -1.16 0.00 0.00 179.01 177.35 3kod h ASP 51 N 0.27 -0.70 -0.33 1.42 3.32 0.12 -2.44 116.42 118.07 3kod h ASP 51 Ca 0.18 0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.40 3kod h ASP 51 Cb 0.18 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3kod h ASP 51 CO -0.20 -0.24 0.80 0.00 -1.72 0.00 0.00 179.24 177.87 3kod h ALA 52 N -1.11 2.10 0.13 3.45 0.00 -1.48 -1.52 119.26 120.84 3kod h ALA 52 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kod h ALA 52 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kod h ALA 52 CO -0.13 -0.97 -0.06 -0.07 0.00 0.00 0.00 179.25 178.02 3kod h LEU 53 N 0.00 -0.15 0.32 0.00 4.07 -0.74 -3.15 115.31 115.66 3kod h LEU 53 Ca 0.16 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.78 3kod h LEU 53 Cb 1.75 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 43.50 3kod h LEU 53 CO -0.00 0.44 -0.51 0.22 -1.08 0.00 0.00 178.44 177.51 3kod h TYR 54 N -0.94 -1.44 0.00 1.13 3.20 -1.16 -0.47 116.97 117.30 3kod h TYR 54 Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3kod h TYR 54 Cb 0.48 0.58 0.00 0.00 1.54 0.00 0.00 36.73 39.34 3kod h TYR 54 CO 0.09 -0.63 0.00 -0.89 -1.64 0.00 0.00 178.16 175.09 3kod n ILE 55 N -5.53 0.00 -0.25 1.81 2.08 -1.19 -0.32 119.36 115.97 3kod n ILE 55 Ca -0.10 1.32 -0.11 0.00 0.56 0.00 0.00 62.75 64.42 3kod n ILE 55 Cb 0.44 -1.81 -0.07 0.00 -0.75 0.00 0.00 39.64 37.45 3kod n ILE 55 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3kod h ILE 56 N 0.00 0.03 -0.35 1.39 2.04 -1.48 -1.05 117.51 118.10 3kod h ILE 56 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3kod h ILE 56 Cb 0.00 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.03 3kod h ILE 56 CO 0.00 0.00 -0.22 -0.09 0.00 0.00 0.00 178.15 177.84 3kod h ARG 57 N -0.22 -0.17 0.43 2.37 2.43 -0.63 -2.75 114.38 115.83 3kod h ARG 57 Ca 0.15 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3kod h ARG 57 Cb 0.54 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3kod h ARG 57 CO -0.74 -0.11 -0.31 0.87 -1.51 0.00 0.00 179.97 178.17 3kod h LYS 58 N -0.18 -0.68 -0.90 0.20 1.57 0.55 -0.37 116.57 116.76 3kod h LYS 58 Ca 0.17 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 59.10 3kod h LYS 58 Cb 0.45 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 32.79 3kod h LYS 58 CO -0.45 -0.45 -0.48 0.00 -0.57 0.00 0.00 179.45 177.50 3kod h LEU 60 N 0.00 0.90 -0.09 0.00 3.38 -1.48 -3.18 115.31 114.83 3kod h LEU 60 Ca 0.20 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3kod h LEU 60 Cb 0.42 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kod h LEU 60 CO -0.86 0.77 -0.30 0.78 0.09 0.00 0.00 178.44 178.92 3kod h ASN 61 N 0.97 0.42 -1.61 -0.43 -0.26 0.18 -3.38 115.58 111.47 3kod h ASN 61 Ca 0.24 -0.61 -0.71 0.00 -0.56 0.00 0.00 56.30 54.65 3kod h ASN 61 Cb 0.10 -0.12 0.01 0.00 -1.06 0.00 0.00 38.32 37.25 3kod h ASN 61 CO -0.03 0.96 0.97 0.18 -1.06 0.00 0.00 177.43 178.45 3kod n LEU 62 N -4.43 2.58 -4.58 1.61 4.77 0.40 -4.78 117.00 112.57 3kod n LEU 62 Ca -0.08 1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 56.51 3kod n LEU 62 Cb 0.48 -1.19 -0.06 0.00 -2.33 0.00 0.00 43.42 40.33 3kod n LEU 62 CO 0.42 -0.36 0.51 -0.13 -1.33 0.00 0.00 177.39 176.49 3kod s ARG 63 N 3.81 3.74 0.00 3.23 0.52 -1.26 -4.37 118.95 124.62 3kod s ARG 63 Ca 0.98 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 3kod s ARG 63 Cb -0.99 -3.80 0.00 0.00 0.52 0.00 0.00 34.95 30.67 3kod s ARG 63 CO 0.63 -0.80 0.00 1.28 0.02 0.00 0.00 175.30 176.43 3kod n LEU 64 N 6.27 0.53 -4.70 2.53 4.77 0.22 -4.60 117.00 122.01 3kod n LEU 64 Ca 0.02 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 3kod n LEU 64 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3kod n LEU 64 CO 0.52 0.09 0.68 0.26 -1.33 0.00 0.00 177.39 177.61 3kod s TRP 65 N -1.50 3.59 -0.39 -1.77 0.51 -0.84 -4.61 118.94 113.94 3kod s TRP 65 Ca 0.00 1.59 -0.27 0.00 -2.12 0.00 0.00 56.10 55.30 3kod s TRP 65 Cb 0.00 -3.10 -0.04 0.00 -0.81 0.00 0.00 33.47 29.52 3kod s TRP 65 CO 0.00 -0.08 2.03 -0.80 -0.51 0.00 0.00 176.95 177.58 3kod s ASN 66 N 1.03 5.39 0.17 2.95 0.01 -1.26 -2.24 114.94 120.98 3kod s ASN 66 Ca 0.49 1.22 -0.31 0.00 -0.71 0.00 0.00 52.86 53.55 3kod s ASN 66 Cb -0.20 -2.52 -0.09 0.00 0.41 0.00 0.00 41.25 38.86 3kod s ASN 66 CO 0.23 -2.12 1.46 0.21 -1.51 0.00 0.00 177.10 175.37 3kod s ASN 67 N 8.16 6.71 -0.99 -1.22 2.47 -0.81 -4.86 114.94 124.41 3kod s ASN 67 Ca 0.86 2.50 -0.22 0.00 0.42 0.00 0.00 52.86 56.42 3kod s ASN 67 Cb -0.22 -2.60 -0.26 0.00 -1.45 0.00 0.00 41.25 36.72 3kod s ASN 67 CO 0.30 -0.72 2.47 -0.90 -3.72 0.00 0.00 177.10 174.53 3kod n ASP 68 N 3.55 -0.39 0.00 -4.21 5.75 -1.26 -0.37 116.55 119.61 3kod n ASP 68 Ca 0.11 -0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 3kod n ASP 68 Cb 0.40 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 3kod n ASP 68 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3kod n ASN 69 N 8.49 0.00 -4.81 -1.12 6.94 -1.26 -5.09 115.26 118.41 3kod n ASN 69 Ca 0.66 0.00 -0.38 0.00 -0.02 0.00 0.00 54.58 54.84 3kod n ASN 69 Cb 0.07 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.43 3kod n ASN 69 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 3kod s LYS 70 N 0.00 4.15 0.37 -3.83 0.00 0.50 -5.08 119.74 115.84 3kod s LYS 70 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 55.97 56.57 3kod s LYS 70 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 37.83 34.54 3kod s LYS 70 CO 0.00 0.63 0.66 0.95 0.00 0.00 0.00 175.35 177.58 3kod s THR 71 N -1.02 4.96 -0.94 3.79 -4.23 -1.26 -1.92 115.64 115.01 3kod s THR 71 Ca 0.28 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 3kod s THR 71 Cb -0.19 -3.78 0.12 0.00 1.34 0.00 0.00 72.50 69.99 3kod s THR 71 CO 0.17 -0.53 0.30 0.79 -0.54 0.00 0.00 174.62 174.82 3kod n TRP 72 N -1.46 -1.51 -0.07 3.99 7.02 -1.26 -4.84 117.44 119.32 3kod n TRP 72 Ca -0.01 0.34 -0.07 0.00 -1.02 0.00 0.00 57.50 56.75 3kod n TRP 72 Cb 0.55 -1.39 -0.04 0.00 -2.42 0.00 0.00 31.31 28.01 3kod n TRP 72 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3kod h ASP 73 N -0.43 0.00 -2.02 -0.99 3.58 -1.74 -3.41 116.42 111.39 3kod h ASP 73 Ca -0.30 -0.18 -0.45 0.00 0.42 0.00 0.00 57.03 56.52 3kod h ASP 73 Cb 1.16 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 3kod h ASP 73 CO 0.45 0.81 -0.40 -0.54 -2.88 0.00 0.00 179.24 176.68 3kod s LYS 74 N -2.04 3.27 0.43 0.28 -0.14 -0.95 -4.72 119.74 115.86 3kod s LYS 74 Ca -0.13 -0.89 0.03 0.00 -1.36 0.00 0.00 55.97 53.63 3kod s LYS 74 Cb 0.01 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 3kod s LYS 74 CO 0.26 0.27 0.06 0.54 -0.76 0.00 0.00 175.35 175.72 3kod s ASN 75 N -4.05 3.30 0.14 2.83 2.20 -1.26 0.72 114.94 118.81 3kod s ASN 75 Ca 0.39 -1.59 -0.22 0.00 -0.94 0.00 0.00 52.86 50.50 3kod s ASN 75 Cb -0.09 0.32 -0.01 0.00 -2.00 0.00 0.00 41.25 39.47 3kod s ASN 75 CO 0.30 -0.80 1.66 0.58 -2.94 0.00 0.00 177.10 175.90 3kod h VAL 76 N 1.69 0.56 0.10 3.54 2.07 -1.76 -1.62 116.25 120.82 3kod h VAL 76 Ca -0.40 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3kod h VAL 76 Cb 1.28 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3kod h VAL 76 CO 0.68 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 178.30 3kod h LYS 77 N -0.19 -0.17 -0.88 1.57 6.56 -1.83 -1.41 116.57 120.22 3kod h LYS 77 Ca 0.11 0.01 0.18 0.00 -1.06 0.00 0.00 60.65 59.88 3kod h LYS 77 Cb 0.35 0.04 -0.17 0.00 -0.57 0.00 0.00 32.23 31.88 3kod h LYS 77 CO -0.27 -0.11 -0.21 -0.44 -2.06 0.00 0.00 179.45 176.35 3kod h ASP 78 N -0.17 -0.81 -0.02 0.86 3.32 -1.78 -2.43 116.42 115.39 3kod h ASP 78 Ca -0.00 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kod h ASP 78 Cb 0.16 0.54 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3kod h ASP 78 CO -0.00 -0.29 0.00 0.18 -1.72 0.00 0.00 179.24 177.41 3kod n LEU 79 N -5.56 1.77 -2.97 1.55 4.77 -0.66 -4.92 117.00 110.99 3kod n LEU 79 Ca 0.13 -0.60 -0.19 0.00 -0.03 0.00 0.00 56.01 55.33 3kod n LEU 79 Cb 0.45 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3kod n LEU 79 CO -0.06 0.30 0.20 -3.20 -1.33 0.00 0.00 177.39 173.29 3kod n ASN 80 N 0.39 -5.40 -4.76 -1.43 5.15 -0.80 -5.01 115.26 103.41 3kod n ASN 80 Ca 0.18 -0.43 -0.29 0.00 -0.60 0.00 0.00 54.58 53.44 3kod n ASN 80 Cb 0.40 -4.12 -0.07 0.00 -0.53 0.00 0.00 39.78 35.47 3kod n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3kod s TYR 81 N -3.26 3.12 0.48 1.20 2.02 -0.60 -5.04 117.35 115.27 3kod s TYR 81 Ca 0.45 0.02 0.04 0.00 -0.37 0.00 0.00 57.07 57.22 3kod s TYR 81 Cb -0.20 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3kod s TYR 81 CO 0.58 0.51 0.67 -1.21 -1.57 0.00 0.00 175.55 174.53 3kod s GLU 82 N -2.55 2.72 0.11 -0.62 2.02 -0.75 -4.65 118.70 114.98 3kod s GLU 82 Ca 0.29 -0.96 0.06 0.00 0.02 0.00 0.00 54.97 54.38 3kod s GLU 82 Cb -0.11 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 3kod s GLU 82 CO 0.21 -0.47 -0.14 -0.51 0.02 0.00 0.00 175.26 174.38 3kod s LEU 83 N -4.55 2.37 -0.07 1.80 1.02 -1.06 -1.27 118.68 116.92 3kod s LEU 83 Ca 0.55 -0.76 -0.00 0.00 0.02 0.00 0.00 54.13 53.94 3kod s LEU 83 Cb -0.10 -0.53 0.02 0.00 0.02 0.00 0.00 46.19 45.60 3kod s LEU 83 CO 0.36 -0.13 -0.04 -0.22 0.02 0.00 0.00 176.35 176.33 3kod s LEU 84 N -2.28 1.02 -0.13 1.79 2.96 -0.55 -0.24 118.68 121.26 3kod s LEU 84 Ca 0.06 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3kod s LEU 84 Cb -0.06 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.07 3kod s LEU 84 CO 0.03 -0.12 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.13 3kod s ILE 85 N 1.53 1.74 -0.13 6.68 -1.09 -1.03 -0.03 121.20 128.87 3kod s ILE 85 Ca -0.01 -0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 57.59 3kod s ILE 85 Cb -0.13 -1.57 0.06 0.00 -1.58 0.00 0.00 42.46 39.25 3kod s ILE 85 CO -0.04 0.49 0.17 -0.69 -1.23 0.00 0.00 174.94 173.64 3kod s VAL 86 N 0.96 -0.25 -0.19 2.92 1.01 -0.99 -4.05 120.40 119.80 3kod s VAL 86 Ca -0.06 0.13 -0.32 0.00 0.00 0.00 0.00 61.98 61.73 3kod s VAL 86 Cb -0.15 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 3kod s VAL 86 CO -0.03 -0.03 2.10 -0.24 0.00 0.00 0.00 175.10 176.91 3kod n SER 87 N 5.32 3.11 -4.02 3.32 2.88 -1.26 -1.18 113.62 121.78 3kod n SER 87 Ca -0.05 0.52 -0.33 0.00 -1.33 0.00 0.00 58.87 57.68 3kod n SER 87 Cb 0.50 -1.43 -0.10 0.00 -0.75 0.00 0.00 64.21 62.43 3kod n SER 87 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3kod s GLN 88 N 5.56 2.67 0.32 -1.46 -1.52 0.25 -4.84 119.66 120.64 3kod s GLN 88 Ca 1.00 -3.03 0.25 0.00 -1.95 0.00 0.00 55.36 51.63 3kod s GLN 88 Cb -0.57 -3.65 1.10 0.00 -0.22 0.00 0.00 33.01 29.67 3kod s GLN 88 CO 0.44 -1.23 1.76 0.27 -0.25 0.00 0.00 175.29 176.29 3kod h PHE 89 N 6.13 0.00 0.00 0.91 -5.15 -1.90 -3.13 116.94 113.79 3kod h PHE 89 Ca 0.08 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.85 3kod h PHE 89 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.01 3kod h PHE 89 CO 0.68 0.00 0.00 1.79 -2.00 0.00 0.00 178.31 178.78 3kod h THR 90 N 0.00 0.00 -0.49 0.88 1.35 -1.94 -3.10 112.91 109.61 3kod h THR 90 Ca 0.00 -0.63 0.14 0.00 -0.55 0.00 0.00 66.41 65.37 3kod h THR 90 Cb 0.33 1.59 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 3kod h THR 90 CO 0.00 0.00 0.42 -0.07 -0.25 0.00 0.00 175.52 175.62 3kod h LEU 91 N 0.00 0.00 -3.57 3.87 3.38 -1.95 0.62 115.31 117.66 3kod h LEU 91 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 3kod h LEU 91 Cb 0.67 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.19 3kod h LEU 91 CO 0.00 0.00 0.50 0.49 0.09 0.00 0.00 178.44 179.52 3kod n PHE 92 N -4.04 2.43 -2.13 1.13 3.72 -1.17 -4.86 117.46 112.53 3kod n PHE 92 Ca 0.09 -1.53 -0.42 0.00 -0.05 0.00 0.00 57.45 55.54 3kod n PHE 92 Cb 0.62 -0.79 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 3kod n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3kod s GLY 93 N -0.83 1.87 -0.16 1.37 0.00 0.21 -3.93 107.32 105.84 3kod s GLY 93 Ca 0.46 1.10 -0.15 0.00 0.00 0.00 0.00 44.72 46.13 3kod s GLY 93 CO 0.09 2.47 0.33 0.21 0.00 0.00 0.00 173.10 176.20 3kod s ASN 94 N 1.42 6.48 -0.14 1.64 2.47 0.24 -4.85 114.94 122.19 3kod s ASN 94 Ca 0.66 0.56 0.09 0.00 0.42 0.00 0.00 52.86 54.59 3kod s ASN 94 Cb -0.37 -2.20 -0.15 0.00 -1.45 0.00 0.00 41.25 37.08 3kod s ASN 94 CO 0.30 0.07 -0.00 0.35 -3.72 0.00 0.00 177.10 174.09 3kod n THR 95 N 3.66 0.94 -0.42 -5.21 -2.24 -1.26 -2.60 114.28 107.15 3kod n THR 95 Ca -0.11 -0.52 0.37 0.00 -2.27 0.00 0.00 64.05 61.52 3kod n THR 95 Cb 0.52 -0.75 0.63 0.00 -2.10 0.00 0.00 70.33 68.62 3kod n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kod n LYS 96 N -2.62 -0.04 0.00 -0.78 5.02 -1.26 -1.33 118.16 117.15 3kod n LYS 96 Ca -0.24 1.22 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 3kod n LYS 96 Cb 0.91 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 3kod n LYS 96 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kod n LYS 97 N -4.72 0.00 0.00 1.97 5.02 -1.26 -5.02 118.16 114.15 3kod n LYS 97 Ca 0.38 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 3kod n LYS 97 Cb 1.45 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 3kod n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kod n GLY 98 N -0.94 1.69 0.00 0.72 0.00 -0.44 -5.00 105.19 101.22 3kod n GLY 98 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.54 3kod n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kod n ASN 99 N 0.00 0.00 -4.06 1.61 3.02 -1.26 -4.57 115.26 110.00 3kod n ASN 99 Ca 0.00 -1.22 -0.24 0.00 -0.03 0.00 0.00 54.58 53.10 3kod n ASN 99 Cb 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.01 3kod n ASN 99 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kod s LYS 100 N -2.00 1.45 0.01 3.52 3.01 -1.26 -5.15 119.74 119.31 3kod s LYS 100 Ca 0.12 -0.45 -0.12 0.00 -1.01 0.00 0.00 55.97 54.52 3kod s LYS 100 Cb 0.06 -1.27 -0.05 0.00 -1.01 0.00 0.00 37.83 35.55 3kod s LYS 100 CO 0.10 0.14 0.36 -1.25 0.51 0.00 0.00 175.35 175.21 3kod s PRO 101 N 0.25 3.78 0.08 -1.68 0.04 -1.26 -4.85 135.00 131.36 3kod s PRO 101 Ca -0.06 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.29 3kod s PRO 101 Cb -0.11 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 3kod s PRO 101 CO 0.02 0.66 -0.16 -0.51 0.04 0.00 0.00 177.00 177.05 3kod s ASP 102 N -1.32 4.01 -0.13 6.66 1.11 -1.07 -4.83 116.67 121.11 3kod s ASP 102 Ca 0.26 -0.45 0.15 0.00 0.18 0.00 0.00 52.55 52.68 3kod s ASP 102 Cb -0.15 -0.67 0.34 0.00 1.07 0.00 0.00 42.92 43.51 3kod s ASP 102 CO 0.14 0.21 1.17 0.49 1.18 0.00 0.00 175.17 178.36 3kod n PHE 103 N 1.09 0.00 0.11 4.23 3.72 -1.25 -0.60 117.46 124.76 3kod n PHE 103 Ca -0.15 -1.03 0.06 0.00 -0.05 0.00 0.00 57.45 56.28 3kod n PHE 103 Cb 0.52 -0.18 0.33 0.00 -0.94 0.00 0.00 39.48 39.21 3kod n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kod n HIS 104 N -0.84 0.41 0.24 1.38 8.25 -1.26 -1.49 115.22 121.90 3kod n HIS 104 Ca 0.14 0.21 0.03 0.00 -0.26 0.00 0.00 57.72 57.84 3kod n HIS 104 Cb 0.75 -0.74 0.03 0.00 1.12 0.00 0.00 29.99 31.15 3kod n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kod n LEU 105 N -1.92 1.62 -4.71 2.41 4.32 -1.26 -4.94 117.00 112.53 3kod n LEU 105 Ca -0.01 -1.08 -0.38 0.00 -0.02 0.00 0.00 56.01 54.52 3kod n LEU 105 Cb 0.15 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 41.87 3kod n LEU 105 CO 0.05 0.34 0.19 0.00 -1.22 0.00 0.00 177.39 176.76 3kod s ALA 106 N -0.58 3.49 0.21 -1.18 0.00 -0.56 -1.55 121.76 121.59 3kod s ALA 106 Ca 0.08 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.52 3kod s ALA 106 Cb 0.06 -2.69 -0.16 0.00 0.00 0.00 0.00 23.12 20.32 3kod s ALA 106 CO 0.08 -0.11 0.73 1.63 0.00 0.00 0.00 175.76 178.10 3kod n LYS 107 N 3.95 0.45 -1.98 0.00 4.76 0.44 -4.54 118.16 121.24 3kod n LYS 107 Ca -0.06 0.16 -0.40 0.00 -2.87 0.00 0.00 58.31 55.14 3kod n LYS 107 Cb 0.51 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 3kod n LYS 107 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3kod s GLU 108 N -1.05 3.93 0.21 1.97 2.02 -1.26 -4.56 118.70 119.96 3kod s GLU 108 Ca 0.65 2.25 -0.14 0.00 0.02 0.00 0.00 54.97 57.76 3kod s GLU 108 Cb -0.88 -2.76 0.25 0.00 0.10 0.00 0.00 34.13 30.83 3kod s GLU 108 CO 0.57 -0.56 1.35 -2.30 0.02 0.00 0.00 175.26 174.34 3kod n PRO 109 N 0.11 -0.18 0.05 0.39 -0.02 -1.26 0.77 135.00 134.86 3kod n PRO 109 Ca 0.04 1.34 0.03 0.00 -2.02 0.00 0.00 63.50 62.88 3kod n PRO 109 Cb 0.43 -1.99 0.39 0.00 -0.02 0.00 0.00 33.50 32.31 3kod n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3kod h ASN 110 N 0.00 0.37 0.03 2.55 -0.26 -2.00 -2.63 115.58 113.64 3kod h ASN 110 Ca 0.32 -0.05 -0.37 0.00 -0.56 0.00 0.00 56.30 55.65 3kod h ASN 110 Cb 0.54 -0.10 -0.07 0.00 -1.06 0.00 0.00 38.32 37.64 3kod h ASN 110 CO -0.87 0.39 -2.38 -0.62 -1.06 0.00 0.00 177.43 172.90 3kod n GLU 111 N -4.37 0.67 -0.24 0.81 1.02 -0.58 -3.89 120.64 114.07 3kod n GLU 111 Ca 0.01 0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 3kod n GLU 111 Cb 0.17 -1.54 0.04 0.00 -0.02 0.00 0.00 31.44 30.09 3kod n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kod h ALA 112 N 0.59 0.88 -0.94 0.62 0.00 0.27 -3.10 119.26 117.57 3kod h ALA 112 Ca -0.54 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 54.35 3kod h ALA 112 Cb 2.10 -0.25 -0.12 0.00 0.00 0.00 0.00 17.79 19.51 3kod h ALA 112 CO -0.01 0.59 0.48 1.25 0.00 0.00 0.00 179.25 181.56 3kod h LEU 113 N 0.99 0.49 0.05 0.00 5.85 -1.59 -0.47 115.31 120.64 3kod h LEU 113 Ca 0.21 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 3kod h LEU 113 Cb 0.36 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3kod h LEU 113 CO 0.00 0.06 -0.03 0.40 -0.34 0.00 0.00 178.44 178.54 3kod h ILE 114 N 0.50 1.12 0.03 4.05 2.04 -1.65 -2.96 117.51 120.64 3kod h ILE 114 Ca 0.59 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3kod h ILE 114 Cb 1.09 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 3kod h ILE 114 CO -0.49 0.15 -0.51 0.15 0.00 0.00 0.00 178.15 177.45 3kod h PHE 115 N -0.34 -1.50 -0.65 1.37 -0.00 -1.05 -0.20 116.94 114.56 3kod h PHE 115 Ca -0.01 0.05 0.13 0.00 -0.00 0.00 0.00 57.97 58.14 3kod h PHE 115 Cb 0.30 0.65 -0.12 0.00 -0.00 0.00 0.00 35.95 36.78 3kod h PHE 115 CO 0.01 -0.56 -0.21 -0.92 -0.00 0.00 0.00 178.31 176.63 3kod h TYR 116 N -0.67 -0.51 -0.97 0.41 5.03 -1.49 0.35 116.97 119.12 3kod h TYR 116 Ca 0.01 0.06 0.15 0.00 2.58 0.00 0.00 58.73 61.53 3kod h TYR 116 Cb 0.70 0.33 -0.09 0.00 1.55 0.00 0.00 36.73 39.22 3kod h TYR 116 CO -0.49 -0.32 0.61 -0.91 -1.32 0.00 0.00 178.16 175.73 3kod h ASN 117 N -0.05 0.80 0.31 -2.11 2.35 -1.22 0.16 115.58 115.83 3kod h ASN 117 Ca 0.30 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 3kod h ASN 117 Cb 0.51 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3kod h ASN 117 CO -0.69 0.38 -0.15 0.11 -1.65 0.00 0.00 177.43 175.43 3kod h LYS 118 N 0.84 -0.40 -0.66 0.81 1.57 0.14 -3.03 116.57 115.84 3kod h LYS 118 Ca 0.51 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.40 3kod h LYS 118 Cb 0.69 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.02 3kod h LYS 118 CO -0.28 -0.20 0.32 0.82 -0.57 0.00 0.00 179.45 179.54 3kod h ILE 119 N -0.51 0.86 -0.87 1.86 2.04 0.45 -1.99 117.51 119.34 3kod h ILE 119 Ca -0.04 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.71 3kod h ILE 119 Cb 0.38 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 3kod h ILE 119 CO 0.07 0.10 0.57 0.40 0.00 0.00 0.00 178.15 179.29 3kod h ILE 120 N 0.56 1.01 -0.02 -0.67 1.08 -0.65 0.45 117.51 119.27 3kod h ILE 120 Ca 0.32 -0.31 -0.18 0.00 -0.39 0.00 0.00 64.86 64.29 3kod h ILE 120 Cb 0.32 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 3kod h ILE 120 CO -0.25 0.17 -0.79 0.44 -0.69 0.00 0.00 178.15 177.02 3kod h ASP 121 N 0.92 0.27 -0.25 1.72 5.19 -1.27 -2.03 116.42 120.97 3kod h ASP 121 Ca 0.39 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3kod h ASP 121 Cb 0.32 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3kod h ASP 121 CO -0.16 0.95 0.00 1.21 -3.12 0.00 0.00 179.24 178.12 3kod n GLU 122 N -3.73 2.01 -0.12 3.56 4.07 -0.46 0.67 120.64 126.64 3kod n GLU 122 Ca -0.03 -1.08 -0.26 0.00 -0.06 0.00 0.00 57.16 55.73 3kod n GLU 122 Cb 0.75 -1.47 -0.09 0.00 -0.06 0.00 0.00 31.44 30.57 3kod n GLU 122 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3kod n PHE 123 N 0.28 0.00 -0.37 4.31 3.72 0.03 -4.28 117.46 121.15 3kod n PHE 123 Ca 0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.48 3kod n PHE 123 Cb 0.40 -0.86 0.12 0.00 -0.94 0.00 0.00 39.48 38.20 3kod n PHE 123 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3kod h LYS 124 N -0.86 1.27 0.00 -1.08 1.57 -1.28 -1.49 116.57 114.69 3kod h LYS 124 Ca -0.60 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.10 3kod h LYS 124 Cb 1.52 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 3kod h LYS 124 CO -0.37 0.84 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.11 3kod h LYS 125 N 1.31 0.00 -0.21 3.15 3.64 -0.00 -1.45 116.57 123.00 3kod h LYS 125 Ca 0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3kod h LYS 125 Cb -0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3kod h LYS 125 CO -0.10 0.02 0.00 1.04 -2.27 0.00 0.00 179.45 178.15 3kod n GLN 126 N -4.08 2.21 0.00 1.90 6.02 -0.65 -4.89 117.38 117.88 3kod n GLN 126 Ca -0.03 -2.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 3kod n GLN 126 Cb 0.11 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.92 3kod n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3kod n TYR 127 N 1.28 0.00 -3.64 1.08 4.19 -0.67 -5.07 117.16 114.33 3kod n TYR 127 Ca 0.15 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.37 3kod n TYR 127 Cb 0.55 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.38 3kod n TYR 127 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3kod s ASN 128 N 1.00 -0.08 0.41 2.98 2.20 -0.63 -5.00 114.94 115.82 3kod s ASN 128 Ca 0.00 -0.17 0.29 0.00 -0.94 0.00 0.00 52.86 52.04 3kod s ASN 128 Cb 0.00 0.21 1.13 0.00 -2.00 0.00 0.00 41.25 40.59 3kod s ASN 128 CO 0.00 -0.38 1.84 -2.24 -2.94 0.00 0.00 177.10 173.38 3kod h ASP 129 N 2.00 0.00 0.15 3.54 -0.00 -1.94 -3.19 116.42 116.98 3kod h ASP 129 Ca -0.29 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.58 3kod h ASP 129 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.53 3kod h ASP 129 CO 0.28 0.00 -0.61 -0.78 -0.00 0.00 0.00 179.24 178.13 3kod h ASP 130 N 0.00 0.52 -0.49 4.15 3.58 -1.95 -3.33 116.42 118.90 3kod h ASP 130 Ca 0.00 -0.30 -0.20 0.00 0.42 0.00 0.00 57.03 56.96 3kod h ASP 130 Cb 0.49 -0.15 -0.12 0.00 1.72 0.00 0.00 39.33 41.28 3kod h ASP 130 CO 0.00 1.00 0.10 0.29 -2.88 0.00 0.00 179.24 177.75 3kod n LYS 131 N -3.91 2.41 -4.48 0.28 4.76 -1.21 -4.84 118.16 111.18 3kod n LYS 131 Ca -0.03 -3.07 -0.24 0.00 -2.87 0.00 0.00 58.31 52.10 3kod n LYS 131 Cb 0.63 -1.94 -0.17 0.00 -1.84 0.00 0.00 35.03 31.72 3kod n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kod s ILE 132 N -3.13 1.02 0.35 -0.18 -1.09 -1.25 -2.55 121.20 114.38 3kod s ILE 132 Ca 0.47 -0.41 0.09 0.00 -2.23 0.00 0.00 60.65 58.58 3kod s ILE 132 Cb 0.41 -0.95 -0.07 0.00 -1.58 0.00 0.00 42.46 40.27 3kod s ILE 132 CO 0.05 0.33 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.47 3kod s LYS 133 N 0.75 1.84 0.00 2.79 3.01 0.67 -4.94 119.74 123.85 3kod s LYS 133 Ca -0.13 -1.96 0.00 0.00 -1.01 0.00 0.00 55.97 52.87 3kod s LYS 133 Cb -0.15 -1.70 0.00 0.00 -1.01 0.00 0.00 37.83 34.97 3kod s LYS 133 CO 0.03 0.12 0.00 0.44 0.51 0.00 0.00 175.35 176.45 3kod n ILE 134 N -0.81 0.00 -3.96 2.17 -5.35 -1.26 -2.45 119.36 107.69 3kod n ILE 134 Ca -0.05 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.31 3kod n ILE 134 Cb 0.64 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.52 3kod n ILE 134 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kod s GLY 135 N -0.20 0.94 -0.17 3.28 0.00 -1.26 -4.62 107.32 105.29 3kod s GLY 135 Ca 0.00 -1.14 -0.29 0.00 0.00 0.00 0.00 44.72 43.29 3kod s GLY 135 CO 0.00 -0.67 1.72 0.54 0.00 0.00 0.00 173.10 174.69 3kod s LYS 136 N -2.84 3.81 0.00 2.90 -0.14 -1.26 -4.93 119.74 117.28 3kod s LYS 136 Ca 0.23 1.87 0.00 0.00 -1.36 0.00 0.00 55.97 56.72 3kod s LYS 136 Cb -0.02 -4.08 0.00 0.00 -1.68 0.00 0.00 37.83 32.05 3kod s LYS 136 CO 0.16 -1.28 0.53 0.34 -0.76 0.00 0.00 175.35 174.33 3kod n PHE 137 N 8.52 0.00 -1.36 3.18 7.35 -1.26 -2.38 117.46 131.52 3kod n PHE 137 Ca 0.20 0.00 -0.28 0.00 -0.76 0.00 0.00 57.45 56.61 3kod n PHE 137 Cb 0.44 -0.03 0.12 0.00 0.35 0.00 0.00 39.48 40.37 3kod n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kod n GLY 138 N -0.96 5.39 3.91 7.13 0.00 -1.26 -4.69 105.19 114.71 3kod n GLY 138 Ca 0.00 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 3kod n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kod s ASN 139 N -1.84 6.42 0.09 1.61 0.01 -1.00 -5.06 114.94 115.18 3kod s ASN 139 Ca 0.60 0.46 -0.31 0.00 -0.71 0.00 0.00 52.86 52.90 3kod s ASN 139 Cb 0.49 -2.03 -0.09 0.00 0.41 0.00 0.00 41.25 40.02 3kod s ASN 139 CO 0.03 0.02 1.77 -0.47 -1.51 0.00 0.00 177.10 176.95 3kod s TYR 140 N -1.74 2.18 0.48 2.20 5.04 -1.26 -4.93 117.35 119.32 3kod s TYR 140 Ca 0.39 0.07 0.05 0.00 -2.44 0.00 0.00 57.07 55.14 3kod s TYR 140 Cb -0.12 -4.10 -0.01 0.00 0.35 0.00 0.00 41.96 38.08 3kod s TYR 140 CO 0.27 -4.55 0.20 -1.64 -1.34 0.00 0.00 175.55 168.49 3kod s MET 141 N 2.85 2.22 -0.17 4.97 -1.94 -1.26 -4.31 119.30 121.66 3kod s MET 141 Ca 0.79 -2.07 -0.04 0.00 -1.71 0.00 0.00 55.69 52.66 3kod s MET 141 Cb -0.43 -1.88 0.08 0.00 2.01 0.00 0.00 34.83 34.61 3kod s MET 141 CO 0.35 -0.34 0.22 1.21 -0.01 0.00 0.00 175.02 176.45 3kod s ASN 142 N -4.01 1.07 -0.27 3.03 3.04 -0.42 -5.00 114.94 112.37 3kod s ASN 142 Ca 0.29 0.03 0.02 0.00 0.04 0.00 0.00 52.86 53.24 3kod s ASN 142 Cb 0.02 0.42 0.07 0.00 -1.54 0.00 0.00 41.25 40.22 3kod s ASN 142 CO 0.16 -0.30 -0.03 -0.63 -3.04 0.00 0.00 177.10 173.26 3kod s ILE 143 N 2.34 1.83 -0.18 -5.21 1.01 -1.26 -0.69 121.20 119.04 3kod s ILE 143 Ca 0.05 -1.61 -0.29 0.00 0.00 0.00 0.00 60.65 58.80 3kod s ILE 143 Cb -0.14 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 3kod s ILE 143 CO -0.10 -0.24 1.40 -1.81 0.00 0.00 0.00 174.94 174.19 3kod s ASP 144 N 1.22 6.74 -0.12 3.58 1.01 -0.65 -4.87 116.67 123.58 3kod s ASP 144 Ca -0.02 1.67 0.02 0.00 0.71 0.00 0.00 52.55 54.94 3kod s ASP 144 Cb -0.19 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.20 3kod s ASP 144 CO -0.08 -0.94 -0.21 -0.69 0.21 0.00 0.00 175.17 173.46 3kod s VAL 145 N 4.07 2.30 -0.82 -1.27 1.01 -1.26 0.16 120.40 124.58 3kod s VAL 145 Ca 0.61 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 3kod s VAL 145 Cb -0.23 -1.92 0.13 0.00 0.00 0.00 0.00 36.38 34.36 3kod s VAL 145 CO 0.21 0.55 0.99 -0.89 0.00 0.00 0.00 175.10 175.96 3kod s THR 146 N 0.52 4.79 0.03 3.92 2.01 0.15 -4.99 115.64 122.07 3kod s THR 146 Ca -0.13 -1.42 -0.30 0.00 0.31 0.00 0.00 61.69 60.15 3kod s THR 146 Cb -0.17 -4.68 -0.08 0.00 0.01 0.00 0.00 72.50 67.58 3kod s THR 146 CO 0.05 -1.38 1.76 0.20 -0.69 0.00 0.00 174.62 174.56 3kod s ASN 147 N 3.45 6.56 -0.77 3.53 0.01 -1.26 -1.22 114.94 125.24 3kod s ASN 147 Ca 0.26 2.49 -0.17 0.00 -0.71 0.00 0.00 52.86 54.73 3kod s ASN 147 Cb -0.10 -2.55 0.15 0.00 0.41 0.00 0.00 41.25 39.16 3kod s ASN 147 CO -0.04 -0.96 0.86 -0.62 -1.51 0.00 0.00 177.10 174.83 3kod s ASP 148 N 3.30 6.50 0.00 -1.22 2.15 0.29 -4.68 116.67 123.00 3kod s ASP 148 Ca 0.79 -2.00 0.00 0.00 0.43 0.00 0.00 52.55 51.77 3kod s ASP 148 Cb -0.39 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3kod s ASP 148 CO 0.35 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 175.02 3kod n GLY 149 N 4.95 2.41 3.73 2.66 0.00 -1.26 -3.51 105.19 114.17 3kod n GLY 149 Ca 0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3kod n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kod s PRO 150 N 0.00 -0.00 -0.21 1.61 0.04 -1.26 -5.16 135.00 130.02 3kod s PRO 150 Ca 0.00 0.02 -0.04 0.00 0.04 0.00 0.00 61.00 61.02 3kod s PRO 150 Cb 0.00 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.88 3kod s PRO 150 CO 0.00 -2.92 0.10 0.08 0.04 0.00 0.00 177.00 174.30 3kod s VAL 151 N -3.26 0.00 -0.42 -0.36 1.01 -1.23 -4.99 120.40 111.16 3kod s VAL 151 Ca 0.69 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3kod s VAL 151 Cb -0.11 -0.77 0.12 0.00 0.00 0.00 0.00 36.38 35.62 3kod s VAL 151 CO 0.55 -0.42 0.16 -0.89 0.00 0.00 0.00 175.10 174.51 3kod s THR 152 N 2.09 2.00 0.24 3.92 2.01 -1.26 -1.03 115.64 123.61 3kod s THR 152 Ca 0.04 -2.58 -0.24 0.00 0.31 0.00 0.00 61.69 59.22 3kod s THR 152 Cb -0.16 -2.44 -0.09 0.00 0.01 0.00 0.00 72.50 69.83 3kod s THR 152 CO -0.17 -0.74 0.82 -0.63 -0.69 0.00 0.00 174.62 173.21 3kod s ILE 153 N 0.49 4.36 -0.15 1.82 -1.09 -0.29 -4.94 121.20 121.40 3kod s ILE 153 Ca 0.14 1.64 -0.00 0.00 -2.23 0.00 0.00 60.65 60.20 3kod s ILE 153 Cb -0.22 -4.03 0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3kod s ILE 153 CO -0.06 0.30 -0.07 -0.47 -1.23 0.00 0.00 174.94 173.41 3kod s TYR 154 N -1.41 1.72 -0.15 3.97 6.14 -1.26 -1.86 117.35 124.49 3kod s TYR 154 Ca 0.43 -1.03 0.02 0.00 0.64 0.00 0.00 57.07 57.13 3kod s TYR 154 Cb -0.20 -1.33 0.02 0.00 0.42 0.00 0.00 41.96 40.86 3kod s TYR 154 CO 0.24 -0.60 -0.20 0.42 0.64 0.00 0.00 175.55 176.05 3kod s ILE 155 N 1.63 1.98 -0.20 3.14 1.01 -1.17 -5.03 121.20 122.55 3kod s ILE 155 Ca 0.02 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 3kod s ILE 155 Cb -0.14 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.57 3kod s ILE 155 CO -0.08 0.53 -0.15 -0.62 0.00 0.00 0.00 174.94 174.62 3kod s ASP 156 N 1.07 3.54 0.34 3.58 -1.08 -1.26 -1.08 116.67 121.77 3kod s ASP 156 Ca -0.01 -0.62 0.17 0.00 -0.52 0.00 0.00 52.55 51.56 3kod s ASP 156 Cb -0.14 -1.56 0.50 0.00 -1.46 0.00 0.00 42.92 40.26 3kod s ASP 156 CO -0.07 -0.02 1.65 0.71 0.52 0.00 0.00 175.17 177.96 3kod h THR 157 N 5.92 0.98 0.00 1.71 1.35 -1.81 -2.75 112.91 118.30 3kod h THR 157 Ca -0.43 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 3kod h THR 157 Cb 1.14 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 3kod h THR 157 CO 0.62 0.44 0.00 1.41 -0.25 0.00 0.00 175.52 177.74 3kod n HIS 158 N -3.50 0.00 0.98 4.73 8.25 -1.26 -4.99 115.22 119.43 3kod n HIS 158 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3kod n HIS 158 Cb 0.58 -0.02 0.10 0.00 1.12 0.00 0.00 29.99 31.77 3kod n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73