#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ko3 s ARG 2 N 0.00 1.93 -0.06 3.17 0.52 -0.64 -1.23 118.95 122.63 3ko3 s ARG 2 Ca 0.00 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 3ko3 s ARG 2 Cb 0.00 -1.60 -0.00 0.00 0.52 0.00 0.00 34.95 33.87 3ko3 s ARG 2 CO 0.00 0.15 -0.19 0.54 0.02 0.00 0.00 175.30 175.82 3ko3 s VAL 3 N 0.32 1.60 -0.25 3.52 0.11 -0.16 0.11 120.40 125.65 3ko3 s VAL 3 Ca -0.10 -0.79 -0.09 0.00 -2.93 0.00 0.00 61.98 58.07 3ko3 s VAL 3 Cb -0.14 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 3ko3 s VAL 3 CO 0.04 0.46 0.12 -0.69 -3.33 0.00 0.00 175.10 171.70 3ko3 s VAL 4 N 0.14 4.83 -0.14 2.04 1.01 0.67 -1.30 120.40 127.65 3ko3 s VAL 4 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 3ko3 s VAL 4 Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 3ko3 s VAL 4 CO 0.04 0.32 -0.05 -0.63 0.00 0.00 0.00 175.10 174.78 3ko3 s ILE 5 N 1.49 3.82 -0.03 2.22 1.01 -0.32 -0.12 121.20 129.27 3ko3 s ILE 5 Ca 0.06 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3ko3 s ILE 5 Cb -0.15 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 3ko3 s ILE 5 CO 0.06 0.51 -0.16 -1.10 0.00 0.00 0.00 174.94 174.26 3ko3 s GLN 6 N 0.16 1.57 -0.17 2.79 -0.21 -0.33 -1.36 119.66 122.11 3ko3 s GLN 6 Ca -0.02 -0.57 -0.29 0.00 0.02 0.00 0.00 55.36 54.50 3ko3 s GLN 6 Cb -0.14 -1.41 -0.01 0.00 1.00 0.00 0.00 33.01 32.45 3ko3 s GLN 6 CO 0.03 0.26 1.25 0.50 -2.12 0.00 0.00 175.29 175.20 3ko3 s ARG 7 N -0.05 4.23 0.14 2.91 3.52 -0.68 -1.36 118.95 127.66 3ko3 s ARG 7 Ca -0.01 1.63 0.08 0.00 -0.13 0.00 0.00 55.73 57.30 3ko3 s ARG 7 Cb -0.10 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 3ko3 s ARG 7 CO 0.01 -0.71 -0.08 0.14 -0.81 0.00 0.00 175.30 173.86 3ko3 s VAL 8 N 3.49 3.38 -0.40 7.11 -7.23 0.41 -0.36 120.40 126.80 3ko3 s VAL 8 Ca 0.54 -1.41 0.22 0.00 -1.81 0.00 0.00 61.98 59.52 3ko3 s VAL 8 Cb -0.21 -2.63 -0.16 0.00 0.56 0.00 0.00 36.38 33.94 3ko3 s VAL 8 CO 0.14 0.00 0.88 0.29 -0.31 0.00 0.00 175.10 176.10 3ko3 n LYS 9 N 0.35 0.44 0.00 4.82 5.02 -0.53 -1.70 118.16 126.56 3ko3 n LYS 9 Ca -0.12 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3ko3 n LYS 9 Cb 0.54 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3ko3 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ko3 n GLY 10 N 1.31 1.11 3.34 0.72 0.00 -1.21 -1.73 105.19 108.71 3ko3 n GLY 10 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 3ko3 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ko3 s ALA 11 N -2.00 -1.11 -0.26 4.61 0.00 0.61 -1.23 121.76 122.38 3ko3 s ALA 11 Ca 0.00 0.62 -0.04 0.00 0.00 0.00 0.00 51.96 52.54 3ko3 s ALA 11 Cb 0.00 0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.30 3ko3 s ALA 11 CO 0.00 -0.32 0.11 0.42 0.00 0.00 0.00 175.76 175.97 3ko3 s ILE 12 N -1.46 0.08 -0.09 0.00 1.01 -0.92 -1.21 121.20 118.61 3ko3 s ILE 12 Ca -0.12 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.68 3ko3 s ILE 12 Cb -0.03 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 3ko3 s ILE 12 CO 0.05 -0.58 0.44 -0.22 0.00 0.00 0.00 174.94 174.63 3ko3 s LEU 13 N 2.03 4.32 0.06 2.97 0.20 0.40 -2.04 118.68 126.62 3ko3 s LEU 13 Ca 0.07 0.82 0.03 0.00 0.69 0.00 0.00 54.13 55.73 3ko3 s LEU 13 Cb -0.16 -2.63 -0.03 0.00 -0.43 0.00 0.00 46.19 42.94 3ko3 s LEU 13 CO -0.27 0.10 -0.09 -0.44 -0.29 0.00 0.00 176.35 175.35 3ko3 s SER 14 N 0.17 1.08 0.13 3.68 0.01 0.01 -1.86 113.70 116.92 3ko3 s SER 14 Ca 0.24 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.94 3ko3 s SER 14 Cb -0.15 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 3ko3 s SER 14 CO 0.10 -0.20 -0.14 0.68 0.41 0.00 0.00 173.24 174.09 3ko3 s VAL 15 N -1.61 1.36 0.02 3.43 -7.23 -0.36 0.68 120.40 116.70 3ko3 s VAL 15 Ca -0.06 -1.74 -0.35 0.00 -1.81 0.00 0.00 61.98 58.03 3ko3 s VAL 15 Cb -0.08 -1.56 -0.14 0.00 0.56 0.00 0.00 36.38 35.16 3ko3 s VAL 15 CO 0.00 -0.41 1.65 0.54 -0.31 0.00 0.00 175.10 176.57 3ko3 n ARG 16 N 0.51 1.88 -0.13 4.82 1.74 -1.25 0.12 116.66 124.35 3ko3 n ARG 16 Ca -0.15 0.68 -0.17 0.00 -0.77 0.00 0.00 57.85 57.44 3ko3 n ARG 16 Cb 0.57 -2.45 -0.12 0.00 -1.02 0.00 0.00 32.46 29.44 3ko3 n ARG 16 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3ko3 n LYS 17 N 4.47 0.66 -0.54 5.56 2.85 -1.26 -4.77 118.16 125.12 3ko3 n LYS 17 Ca 0.20 0.13 -0.22 0.00 -1.05 0.00 0.00 58.31 57.37 3ko3 n LYS 17 Cb 0.26 -1.52 -0.04 0.00 -0.65 0.00 0.00 35.03 33.08 3ko3 n LYS 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3ko3 n LYS 25 N -3.20 0.00 -1.81 -1.58 0.00 -1.26 -5.06 118.16 105.25 3ko3 n LYS 25 Ca -0.44 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.47 3ko3 n LYS 25 Cb 1.01 -0.50 0.02 0.00 0.00 0.00 0.00 35.03 35.55 3ko3 n LYS 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3ko3 s GLU 26 N 1.32 3.71 -0.06 1.64 2.56 -1.26 -5.03 118.70 121.56 3ko3 s GLU 26 Ca 0.37 2.41 -0.09 0.00 0.00 0.00 0.00 54.97 57.66 3ko3 s GLU 26 Cb -0.50 -2.67 0.02 0.00 2.00 0.00 0.00 34.13 32.98 3ko3 s GLU 26 CO 0.26 -0.80 0.24 -0.51 -0.56 0.00 0.00 175.26 173.89 3ko3 s LEU 27 N -2.70 1.12 -0.17 2.70 1.43 -1.26 -4.65 118.68 115.15 3ko3 s LEU 27 Ca 0.61 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.96 3ko3 s LEU 27 Cb -0.44 0.88 -0.03 0.00 0.03 0.00 0.00 46.19 46.64 3ko3 s LEU 27 CO 0.56 -0.20 -0.01 -0.70 0.23 0.00 0.00 176.35 176.24 3ko3 s GLU 28 N -0.38 3.71 -0.16 1.70 2.12 0.12 -4.87 118.70 120.94 3ko3 s GLU 28 Ca -0.05 -0.49 -0.29 0.00 0.36 0.00 0.00 54.97 54.50 3ko3 s GLU 28 Cb -0.03 -3.01 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3ko3 s GLU 28 CO 0.01 0.19 1.10 0.42 -0.54 0.00 0.00 175.26 176.44 3ko3 s ILE 29 N 0.53 4.57 -0.16 -3.70 1.01 -1.26 -1.22 121.20 120.97 3ko3 s ILE 29 Ca -0.01 1.88 0.02 0.00 0.00 0.00 0.00 60.65 62.54 3ko3 s ILE 29 Cb -0.14 -4.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.01 3ko3 s ILE 29 CO 0.02 -0.10 -0.12 0.00 0.00 0.00 0.00 174.94 174.74 3ko3 n ILE 30 N 5.02 0.90 -4.39 2.92 0.13 -0.78 -5.00 119.36 118.17 3ko3 n ILE 30 Ca 0.11 -0.37 -0.22 0.00 -1.10 0.00 0.00 62.75 61.18 3ko3 n ILE 30 Cb 0.47 -1.02 -0.13 0.00 -0.84 0.00 0.00 39.64 38.11 3ko3 n ILE 30 CO 0.00 0.00 0.00 -0.44 2.80 0.00 0.00 176.55 178.91 3ko3 s SER 31 N -5.44 1.98 -0.02 9.51 0.01 -1.14 -5.03 113.70 113.58 3ko3 s SER 31 Ca -0.20 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.49 3ko3 s SER 31 Cb 0.05 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.16 3ko3 s SER 31 CO 0.38 0.05 0.11 -0.70 0.41 0.00 0.00 173.24 173.49 3ko3 s GLU 32 N -1.32 0.28 0.01 12.44 2.12 -1.26 -0.46 118.70 130.51 3ko3 s GLU 32 Ca 0.03 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.23 3ko3 s GLU 32 Cb -0.09 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.42 3ko3 s GLU 32 CO 0.02 -0.05 -0.01 0.96 -0.54 0.00 0.00 175.26 175.63 3ko3 s ILE 33 N -0.63 0.06 0.00 -3.70 -4.36 -0.35 -4.98 121.20 107.23 3ko3 s ILE 33 Ca -0.07 -0.33 0.00 0.00 -0.26 0.00 0.00 60.65 59.99 3ko3 s ILE 33 Cb -0.04 -0.11 0.00 0.00 1.25 0.00 0.00 42.46 43.55 3ko3 s ILE 33 CO 0.00 -0.17 0.00 0.29 0.24 0.00 0.00 174.94 175.30 3ko3 n LYS 34 N 2.55 2.93 -1.56 0.37 4.76 -1.26 -0.28 118.16 125.67 3ko3 n LYS 34 Ca -0.16 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.85 3ko3 n LYS 34 Cb 0.58 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.77 3ko3 n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ko3 n ASN 35 N 0.00 0.72 0.00 4.39 3.02 -0.71 -3.31 115.26 119.38 3ko3 n ASN 35 Ca 0.00 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 3ko3 n ASN 35 Cb 0.00 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 3ko3 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ko3 n GLY 36 N 1.36 0.25 3.05 7.41 0.00 -0.69 -1.95 105.19 114.62 3ko3 n GLY 36 Ca 0.10 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.68 3ko3 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ko3 s LEU 37 N 0.00 1.74 -0.11 0.99 1.43 -0.74 -0.44 118.68 121.54 3ko3 s LEU 37 Ca 0.00 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3ko3 s LEU 37 Cb 0.00 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 3ko3 s LEU 37 CO 0.00 0.07 0.26 -0.51 0.23 0.00 0.00 176.35 176.40 3ko3 s ILE 38 N 0.42 5.31 -0.25 -0.59 2.07 -0.47 -1.54 121.20 126.15 3ko3 s ILE 38 Ca -0.10 0.48 0.00 0.00 -1.41 0.00 0.00 60.65 59.63 3ko3 s ILE 38 Cb -0.14 -3.57 0.07 0.00 0.13 0.00 0.00 42.46 38.96 3ko3 s ILE 38 CO 0.03 0.51 -0.01 0.00 -1.91 0.00 0.00 174.94 173.56 3ko3 s PHE 40 N 1.43 3.06 -0.31 0.00 0.08 0.82 -0.10 117.98 122.96 3ko3 s PHE 40 Ca -0.01 0.63 -0.03 0.00 0.12 0.00 0.00 56.93 57.64 3ko3 s PHE 40 Cb -0.18 -3.64 0.05 0.00 -0.57 0.00 0.00 43.02 38.67 3ko3 s PHE 40 CO -0.09 -0.85 0.02 -1.17 -0.10 0.00 0.00 175.22 173.02 3ko3 s LEU 41 N 3.42 3.95 0.00 -0.37 0.20 0.17 -0.24 118.68 125.81 3ko3 s LEU 41 Ca 0.36 -1.24 -0.13 0.00 0.69 0.00 0.00 54.13 53.81 3ko3 s LEU 41 Cb -0.12 -1.74 -0.05 0.00 -0.43 0.00 0.00 46.19 43.85 3ko3 s LEU 41 CO 0.20 -0.27 0.37 -0.83 -0.29 0.00 0.00 176.35 175.53 3ko3 s GLY 42 N 1.28 2.41 -0.08 7.98 0.00 0.31 -0.45 107.32 118.77 3ko3 s GLY 42 Ca -0.05 -0.31 0.04 0.00 0.00 0.00 0.00 44.72 44.40 3ko3 s GLY 42 CO -0.00 0.00 -0.20 -0.42 0.00 0.00 0.00 173.10 172.47 3ko3 s ILE 43 N -1.15 2.45 -0.13 0.90 1.01 -1.26 -1.63 121.20 121.40 3ko3 s ILE 43 Ca 0.25 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3ko3 s ILE 43 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3ko3 s ILE 43 CO 0.13 0.56 0.09 -2.28 0.00 0.00 0.00 174.94 173.45 3ko3 s HIS 44 N -0.12 3.42 0.63 3.97 2.46 -1.26 -1.17 115.29 123.22 3ko3 s HIS 44 Ca -0.04 0.36 0.30 0.00 0.47 0.00 0.00 55.06 56.15 3ko3 s HIS 44 Cb -0.14 -1.94 1.62 0.00 -0.13 0.00 0.00 32.58 31.99 3ko3 s HIS 44 CO 0.04 0.55 1.97 1.57 -2.47 0.00 0.00 174.74 176.39 3ko3 h LYS 45 N 5.43 0.00 -1.56 2.88 2.10 -1.61 -0.70 116.57 123.11 3ko3 h LYS 45 Ca -0.50 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.49 3ko3 h LYS 45 Cb 1.20 0.00 -0.35 0.00 -0.90 0.00 0.00 32.23 32.18 3ko3 h LYS 45 CO 0.61 0.00 0.10 0.09 -2.00 0.00 0.00 179.45 178.25 3ko3 n ASN 46 N -3.35 6.10 -4.54 7.07 3.02 -1.26 -4.90 115.26 117.40 3ko3 n ASN 46 Ca 0.02 -3.78 -0.40 0.00 -0.03 0.00 0.00 54.58 50.39 3ko3 n ASN 46 Cb 0.45 -0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 3ko3 n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ko3 s ASP 47 N -2.45 6.07 0.90 6.41 1.01 -0.27 -4.99 116.67 123.35 3ko3 s ASP 47 Ca 0.52 -0.35 -0.12 0.00 0.71 0.00 0.00 52.55 53.30 3ko3 s ASP 47 Cb 0.43 -2.14 0.13 0.00 1.01 0.00 0.00 42.92 42.34 3ko3 s ASP 47 CO -0.23 -0.22 1.14 0.42 0.21 0.00 0.00 175.17 176.49 3ko3 s THR 48 N 1.76 2.03 0.43 -1.27 -4.23 -1.26 -4.96 115.64 108.14 3ko3 s THR 48 Ca 0.07 0.01 0.22 0.00 -1.18 0.00 0.00 61.69 60.81 3ko3 s THR 48 Cb -0.17 -2.79 0.24 0.00 1.34 0.00 0.00 72.50 71.12 3ko3 s THR 48 CO 0.11 -0.01 2.03 -0.25 -0.54 0.00 0.00 174.62 175.95 3ko3 h TRP 49 N -1.43 0.00 -0.88 3.99 2.91 -2.01 -2.64 115.95 115.88 3ko3 h TRP 49 Ca -0.50 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 59.50 3ko3 h TRP 49 Cb 1.33 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.94 3ko3 h TRP 49 CO 0.30 0.16 0.47 0.93 -1.03 0.00 0.00 178.44 179.27 3ko3 h GLU 50 N 0.00 1.24 0.26 2.65 4.39 -1.95 -1.73 114.58 119.44 3ko3 h GLU 50 Ca -0.00 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.55 3ko3 h GLU 50 Cb 0.34 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 3ko3 h GLU 50 CO 0.02 0.91 -0.32 -0.44 -1.16 0.00 0.00 179.01 178.02 3ko3 h ASP 51 N 1.24 -0.89 -0.78 1.42 3.32 -1.75 -2.18 116.42 116.81 3ko3 h ASP 51 Ca 0.31 0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.62 3ko3 h ASP 51 Cb 0.04 0.31 -0.14 0.00 0.22 0.00 0.00 39.33 39.77 3ko3 h ASP 51 CO -0.05 -0.44 -0.01 0.00 -1.72 0.00 0.00 179.24 177.02 3ko3 h ALA 52 N -0.07 0.79 0.00 3.45 0.00 -1.51 -2.51 119.26 119.41 3ko3 h ALA 52 Ca -0.00 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3ko3 h ALA 52 Cb 0.60 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ko3 h ALA 52 CO -0.10 -0.43 -0.23 1.25 0.00 0.00 0.00 179.25 179.73 3ko3 h LEU 53 N 0.09 0.00 0.05 0.00 5.85 -0.96 -1.44 115.31 118.89 3ko3 h LEU 53 Ca 0.42 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.90 3ko3 h LEU 53 Cb 0.75 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3ko3 h LEU 53 CO -0.70 0.23 -1.15 0.22 -0.34 0.00 0.00 178.44 176.71 3ko3 h TYR 54 N 0.00 0.19 0.06 1.25 3.20 -0.96 -1.72 116.97 118.99 3ko3 h TYR 54 Ca -0.00 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3ko3 h TYR 54 Cb 0.68 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3ko3 h TYR 54 CO 0.00 1.12 -0.03 0.82 -1.64 0.00 0.00 178.16 178.43 3ko3 h ILE 55 N 0.03 1.23 -0.63 1.81 1.08 -1.26 -2.45 117.51 117.32 3ko3 h ILE 55 Ca -0.08 -1.08 0.07 0.00 -0.39 0.00 0.00 64.86 63.37 3ko3 h ILE 55 Cb 1.87 1.93 -0.06 0.00 -3.07 0.00 0.00 36.82 37.49 3ko3 h ILE 55 CO 0.15 0.27 0.33 0.40 -0.69 0.00 0.00 178.15 178.61 3ko3 h ILE 56 N -0.57 0.92 -0.49 -0.67 2.04 -1.36 0.52 117.51 117.90 3ko3 h ILE 56 Ca -0.01 -0.21 0.07 0.00 1.00 0.00 0.00 64.86 65.71 3ko3 h ILE 56 Cb 0.50 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3ko3 h ILE 56 CO 0.01 0.11 0.18 -0.09 0.00 0.00 0.00 178.15 178.36 3ko3 h ARG 57 N 0.60 0.34 0.17 2.37 2.43 -1.32 -1.87 114.38 117.10 3ko3 h ARG 57 Ca 0.29 -0.02 -0.31 0.00 -0.81 0.00 0.00 59.98 59.13 3ko3 h ARG 57 Cb 0.23 -0.08 0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3ko3 h ARG 57 CO -0.21 0.23 -1.33 0.87 -1.51 0.00 0.00 179.97 178.03 3ko3 h LYS 58 N 0.35 0.56 -0.97 0.20 1.79 -0.81 -1.07 116.57 116.63 3ko3 h LYS 58 Ca 0.24 -0.83 0.08 0.00 -2.18 0.00 0.00 60.65 57.96 3ko3 h LYS 58 Cb 0.25 0.29 -0.07 0.00 -1.58 0.00 0.00 32.23 31.12 3ko3 h LYS 58 CO -0.24 1.38 0.62 0.00 -1.08 0.00 0.00 179.45 180.13 3ko3 h LEU 60 N 1.08 0.00 0.00 0.00 3.38 -1.08 -3.39 115.31 115.30 3ko3 h LEU 60 Ca 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3ko3 h LEU 60 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3ko3 h LEU 60 CO -0.18 0.00 -0.74 0.59 0.09 0.00 0.00 178.44 178.21 3ko3 n ASN 61 N -2.91 3.68 -4.76 -0.43 4.13 -0.43 -4.13 115.26 110.42 3ko3 n ASN 61 Ca 0.04 -0.04 -0.41 0.00 1.68 0.00 0.00 54.58 55.84 3ko3 n ASN 61 Cb 0.52 0.81 -0.01 0.00 -1.54 0.00 0.00 39.78 39.56 3ko3 n ASN 61 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ko3 n LEU 62 N -1.18 4.54 -4.33 3.41 4.77 -0.30 -4.58 117.00 119.32 3ko3 n LEU 62 Ca 0.00 1.19 -0.47 0.00 -0.03 0.00 0.00 56.01 56.70 3ko3 n LEU 62 Cb 0.00 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 39.47 3ko3 n LEU 62 CO 0.00 0.13 0.45 -0.13 -1.33 0.00 0.00 177.39 176.51 3ko3 s ARG 63 N -1.39 3.62 0.00 3.23 0.52 -1.26 -4.19 118.95 119.49 3ko3 s ARG 63 Ca 0.58 -2.47 0.11 0.00 -0.52 0.00 0.00 55.73 53.44 3ko3 s ARG 63 Cb -0.49 -4.45 -0.04 0.00 0.52 0.00 0.00 34.95 30.50 3ko3 s ARG 63 CO 0.57 -1.30 0.62 1.28 0.02 0.00 0.00 175.30 176.49 3ko3 n LEU 64 N 4.00 1.07 -4.68 2.53 4.77 -0.05 -3.44 117.00 121.20 3ko3 n LEU 64 Ca 0.14 -0.69 -0.32 0.00 -0.03 0.00 0.00 56.01 55.12 3ko3 n LEU 64 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 3ko3 n LEU 64 CO 0.34 0.22 -0.33 0.26 -1.33 0.00 0.00 177.39 176.55 3ko3 s TRP 65 N -1.64 3.04 -0.11 -1.77 0.51 -0.93 -4.80 118.94 113.24 3ko3 s TRP 65 Ca 0.08 0.04 -0.25 0.00 -2.12 0.00 0.00 56.10 53.85 3ko3 s TRP 65 Cb 0.09 -1.63 -0.02 0.00 -0.81 0.00 0.00 33.47 31.10 3ko3 s TRP 65 CO 0.33 0.46 0.79 -0.80 -0.51 0.00 0.00 176.95 177.23 3ko3 s ASN 66 N -1.77 7.00 -1.34 2.95 -0.87 -1.26 -0.78 114.94 118.87 3ko3 s ASN 66 Ca 0.21 1.22 -0.12 0.00 -1.57 0.00 0.00 52.86 52.61 3ko3 s ASN 66 Cb -0.12 -2.45 0.12 0.00 -0.02 0.00 0.00 41.25 38.78 3ko3 s ASN 66 CO 0.13 -0.28 1.95 -3.20 -2.57 0.00 0.00 177.10 173.13 3ko3 n ASN 67 N 4.56 4.67 -0.06 -1.22 5.15 -0.32 -4.81 115.26 123.24 3ko3 n ASN 67 Ca 0.02 -3.00 0.00 0.00 -0.60 0.00 0.00 54.58 51.01 3ko3 n ASN 67 Cb 0.50 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 3ko3 n ASN 67 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3ko3 n ASP 68 N 5.03 0.00 0.00 1.20 9.92 -1.26 -2.46 116.55 128.97 3ko3 n ASP 68 Ca 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 3ko3 n ASP 68 Cb 0.38 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 3ko3 n ASP 68 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3ko3 n ASN 69 N 0.01 0.00 -4.44 -2.24 2.85 -1.26 -5.12 115.26 105.06 3ko3 n ASN 69 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 3ko3 n ASN 69 Cb 0.00 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 40.88 3ko3 n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3ko3 s LYS 70 N 0.00 2.36 0.83 1.20 1.02 -1.03 -5.13 119.74 118.99 3ko3 s LYS 70 Ca 0.00 -0.78 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 3ko3 s LYS 70 Cb 0.00 -2.28 0.09 0.00 -0.52 0.00 0.00 37.83 35.12 3ko3 s LYS 70 CO 0.00 0.60 1.10 0.95 -0.92 0.00 0.00 175.35 177.08 3ko3 s THR 71 N -0.73 2.86 -0.77 2.17 -4.23 -1.26 -1.17 115.64 112.51 3ko3 s THR 71 Ca 0.12 0.28 -0.14 0.00 -1.18 0.00 0.00 61.69 60.77 3ko3 s THR 71 Cb -0.10 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.79 3ko3 s THR 71 CO 0.01 -0.37 0.48 0.79 -0.54 0.00 0.00 174.62 174.99 3ko3 n TRP 72 N -3.57 -1.26 0.00 3.99 7.02 -1.26 -4.79 117.44 117.57 3ko3 n TRP 72 Ca 0.07 0.32 0.00 0.00 -1.02 0.00 0.00 57.50 56.87 3ko3 n TRP 72 Cb 0.56 -2.05 0.00 0.00 -2.42 0.00 0.00 31.31 27.40 3ko3 n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ko3 n ASP 73 N -1.60 2.82 -4.54 -0.99 2.03 -0.17 -4.77 116.55 109.33 3ko3 n ASP 73 Ca -0.16 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.82 3ko3 n ASP 73 Cb 0.47 0.19 -0.12 0.00 -0.72 0.00 0.00 41.12 40.95 3ko3 n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ko3 s LYS 74 N -1.61 2.52 0.56 -0.67 -0.14 0.04 -4.88 119.74 115.56 3ko3 s LYS 74 Ca 0.00 -0.71 0.09 0.00 -1.36 0.00 0.00 55.97 53.99 3ko3 s LYS 74 Cb 0.00 -2.45 0.08 0.00 -1.68 0.00 0.00 37.83 33.78 3ko3 s LYS 74 CO 0.00 0.61 0.74 0.54 -0.76 0.00 0.00 175.35 176.48 3ko3 s ASN 75 N -1.11 5.08 0.29 2.83 2.20 -1.26 -0.87 114.94 122.10 3ko3 s ASN 75 Ca 0.14 -0.87 -0.01 0.00 -0.94 0.00 0.00 52.86 51.19 3ko3 s ASN 75 Cb -0.11 0.26 0.47 0.00 -2.00 0.00 0.00 41.25 39.87 3ko3 s ASN 75 CO 0.04 -1.28 1.91 0.58 -2.94 0.00 0.00 177.10 175.41 3ko3 h VAL 76 N 0.26 1.10 0.09 3.54 2.07 -1.76 -2.87 116.25 118.68 3ko3 h VAL 76 Ca -0.31 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3ko3 h VAL 76 Cb 1.29 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3ko3 h VAL 76 CO 0.43 0.20 -0.04 0.11 0.02 0.00 0.00 177.57 178.28 3ko3 h LYS 77 N 1.10 -0.12 -0.93 1.57 1.57 -1.87 0.25 116.57 118.14 3ko3 h LYS 77 Ca 0.39 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.45 3ko3 h LYS 77 Cb 0.14 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3ko3 h LYS 77 CO -0.14 0.35 0.77 -0.44 -0.57 0.00 0.00 179.45 179.42 3ko3 h ASP 78 N -0.66 0.00 -0.28 0.86 3.32 -1.87 0.79 116.42 118.59 3ko3 h ASP 78 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ko3 h ASP 78 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3ko3 h ASP 78 CO 0.02 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 3ko3 n LEU 79 N -3.95 2.80 -3.79 1.55 4.77 -1.15 -4.98 117.00 112.24 3ko3 n LEU 79 Ca 0.20 -1.59 -0.28 0.00 -0.03 0.00 0.00 56.01 54.31 3ko3 n LEU 79 Cb 1.09 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 42.04 3ko3 n LEU 79 CO 0.35 0.64 0.16 -3.20 -1.33 0.00 0.00 177.39 174.00 3ko3 n ASN 80 N 0.82 -5.27 -4.74 -1.43 5.15 0.27 -4.97 115.26 105.09 3ko3 n ASN 80 Ca 0.12 -0.69 -0.23 0.00 -0.60 0.00 0.00 54.58 53.18 3ko3 n ASN 80 Cb 0.43 -4.31 0.10 0.00 -0.53 0.00 0.00 39.78 35.47 3ko3 n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3ko3 s TYR 81 N -3.32 1.58 0.31 1.20 2.02 0.81 -5.02 117.35 114.93 3ko3 s TYR 81 Ca 0.62 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 57.05 3ko3 s TYR 81 Cb -0.30 -2.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 3ko3 s TYR 81 CO 0.79 -1.60 0.12 -1.21 -1.57 0.00 0.00 175.55 172.09 3ko3 s GLU 82 N -5.05 2.44 -0.01 -0.62 2.02 -0.82 -4.78 118.70 111.88 3ko3 s GLU 82 Ca 0.65 -1.44 0.01 0.00 0.02 0.00 0.00 54.97 54.21 3ko3 s GLU 82 Cb -0.05 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3ko3 s GLU 82 CO 0.43 0.21 -0.02 -0.51 0.02 0.00 0.00 175.26 175.39 3ko3 s LEU 83 N -3.81 1.84 -0.33 1.80 1.02 -0.28 -1.80 118.68 117.11 3ko3 s LEU 83 Ca 0.36 -0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.47 3ko3 s LEU 83 Cb -0.04 -0.15 0.08 0.00 0.02 0.00 0.00 46.19 46.10 3ko3 s LEU 83 CO 0.22 0.01 0.05 -0.22 0.02 0.00 0.00 176.35 176.43 3ko3 s LEU 84 N 0.15 4.44 -0.31 1.79 2.96 -0.59 -0.58 118.68 126.54 3ko3 s LEU 84 Ca -0.01 -1.76 -0.21 0.00 -0.22 0.00 0.00 54.13 51.92 3ko3 s LEU 84 Cb -0.04 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 3ko3 s LEU 84 CO -0.00 -0.36 0.68 -0.63 -1.32 0.00 0.00 176.35 174.72 3ko3 s ILE 85 N 1.09 4.89 -0.15 6.68 -1.09 -0.62 -1.52 121.20 130.47 3ko3 s ILE 85 Ca 0.03 0.95 0.02 0.00 -2.23 0.00 0.00 60.65 59.41 3ko3 s ILE 85 Cb -0.20 -4.05 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 3ko3 s ILE 85 CO -0.05 -0.18 -0.20 -0.69 -1.23 0.00 0.00 174.94 172.59 3ko3 s VAL 86 N 2.72 1.97 0.02 2.92 1.01 0.85 -2.66 120.40 127.23 3ko3 s VAL 86 Ca 0.27 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3ko3 s VAL 86 Cb -0.15 -1.77 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 3ko3 s VAL 86 CO 0.12 0.53 1.57 -0.55 0.00 0.00 0.00 175.10 176.77 3ko3 s SER 87 N 1.09 6.70 -0.44 3.32 0.15 -1.26 0.44 113.70 123.70 3ko3 s SER 87 Ca -0.01 2.31 0.02 0.00 0.70 0.00 0.00 55.95 58.97 3ko3 s SER 87 Cb -0.14 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.75 3ko3 s SER 87 CO -0.07 -0.84 0.25 -1.10 1.20 0.00 0.00 173.24 172.68 3ko3 s GLN 88 N 2.87 1.23 0.57 5.44 -1.52 0.40 -4.79 119.66 123.86 3ko3 s GLN 88 Ca 0.70 -1.99 0.33 0.00 -1.95 0.00 0.00 55.36 52.45 3ko3 s GLN 88 Cb -0.36 -2.21 1.70 0.00 -0.22 0.00 0.00 33.01 31.93 3ko3 s GLN 88 CO 0.30 -1.19 2.14 0.27 -0.25 0.00 0.00 175.29 176.56 3ko3 h PHE 89 N 6.64 0.00 0.00 0.91 -5.15 -1.95 -2.82 116.94 114.58 3ko3 h PHE 89 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3ko3 h PHE 89 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.09 3ko3 h PHE 89 CO 0.47 0.06 0.00 0.25 -2.00 0.00 0.00 178.31 177.09 3ko3 n THR 90 N -3.41 0.03 0.22 0.88 -2.24 -1.26 -2.02 114.28 106.48 3ko3 n THR 90 Ca -0.02 0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 3ko3 n THR 90 Cb 0.20 -0.81 0.24 0.00 -2.10 0.00 0.00 70.33 67.86 3ko3 n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ko3 h LEU 91 N 0.00 0.00 -2.26 3.22 3.38 -1.90 -2.30 115.31 115.45 3ko3 h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ko3 h LEU 91 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ko3 h LEU 91 CO 0.00 0.09 0.00 0.49 0.09 0.00 0.00 178.44 179.11 3ko3 n PHE 92 N -3.13 0.88 -1.54 1.13 3.72 -0.85 -4.89 117.46 112.78 3ko3 n PHE 92 Ca 0.03 -0.41 -0.41 0.00 -0.05 0.00 0.00 57.45 56.61 3ko3 n PHE 92 Cb 0.52 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.97 3ko3 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ko3 n GLY 93 N 1.33 0.39 3.77 1.37 0.00 -0.87 -4.56 105.19 106.63 3ko3 n GLY 93 Ca 0.20 0.79 -0.38 0.00 0.00 0.00 0.00 46.02 46.63 3ko3 n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ko3 s ASN 94 N 10.03 6.77 0.00 1.61 2.47 -0.69 -4.89 114.94 130.24 3ko3 s ASN 94 Ca 1.05 0.91 0.00 0.00 0.42 0.00 0.00 52.86 55.24 3ko3 s ASN 94 Cb -0.44 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 3ko3 s ASN 94 CO 0.35 0.13 0.41 0.35 -3.72 0.00 0.00 177.10 174.62 3ko3 n THR 95 N 2.87 0.15 0.15 -5.21 -2.24 -1.26 -2.18 114.28 106.55 3ko3 n THR 95 Ca -0.10 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 3ko3 n THR 95 Cb 0.52 1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.92 3ko3 n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ko3 h LYS 96 N 0.00 -0.36 -0.48 -0.78 1.57 -2.00 -3.29 116.57 111.24 3ko3 h LYS 96 Ca 0.00 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3ko3 h LYS 96 Cb 0.35 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 3ko3 h LYS 96 CO 0.00 -0.07 -0.47 -0.22 -0.57 0.00 0.00 179.45 178.12 3ko3 h LYS 97 N -0.63 -0.30 0.00 3.15 1.63 -1.98 -3.47 116.57 114.97 3ko3 h LYS 97 Ca -0.04 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3ko3 h LYS 97 Cb 0.45 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 3ko3 h LYS 97 CO 0.06 -0.20 0.00 0.41 -3.45 0.00 0.00 179.45 176.27 3ko3 n GLY 98 N -1.40 2.36 0.07 5.01 0.00 -1.24 -5.06 105.19 104.92 3ko3 n GLY 98 Ca -0.01 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.67 3ko3 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ko3 n ASN 99 N 0.00 0.31 -4.49 1.61 3.02 -1.26 -4.60 115.26 109.85 3ko3 n ASN 99 Ca 0.00 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.26 3ko3 n ASN 99 Cb 0.00 1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 40.21 3ko3 n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko3 s LYS 100 N -3.05 3.40 0.07 3.52 2.20 -1.26 -4.99 119.74 119.63 3ko3 s LYS 100 Ca -0.06 -1.15 -0.30 0.00 -0.36 0.00 0.00 55.97 54.09 3ko3 s LYS 100 Cb 0.10 -4.72 -0.06 0.00 -1.51 0.00 0.00 37.83 31.64 3ko3 s LYS 100 CO 0.85 -1.93 1.19 -1.25 -0.36 0.00 0.00 175.35 173.84 3ko3 s PRO 101 N 4.00 4.45 -0.06 4.03 0.04 -1.26 -4.99 135.00 141.20 3ko3 s PRO 101 Ca 0.33 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.09 3ko3 s PRO 101 Cb -0.08 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 3ko3 s PRO 101 CO -0.01 -0.22 0.13 0.16 0.04 0.00 0.00 177.00 177.10 3ko3 s ASP 102 N 0.94 6.11 -0.75 6.66 1.47 -0.93 -4.79 116.67 125.38 3ko3 s ASP 102 Ca 0.58 0.33 0.03 0.00 1.18 0.00 0.00 52.55 54.67 3ko3 s ASP 102 Cb -0.29 -1.89 0.28 0.00 -0.34 0.00 0.00 42.92 40.67 3ko3 s ASP 102 CO 0.30 0.33 0.99 0.49 0.68 0.00 0.00 175.17 177.96 3ko3 n PHE 103 N 1.51 3.36 0.08 2.11 3.72 -1.26 -1.70 117.46 125.27 3ko3 n PHE 103 Ca -0.16 -3.72 -0.16 0.00 -0.05 0.00 0.00 57.45 53.37 3ko3 n PHE 103 Cb 0.54 -0.73 -0.14 0.00 -0.94 0.00 0.00 39.48 38.20 3ko3 n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ko3 h HIS 104 N 4.29 0.45 -0.00 1.38 3.86 -1.97 -3.36 115.15 119.79 3ko3 h HIS 104 Ca 0.21 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3ko3 h HIS 104 Cb 0.61 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3ko3 h HIS 104 CO 0.83 1.32 -0.04 1.28 0.86 0.00 0.00 177.93 182.18 3ko3 n LEU 105 N -3.47 0.51 -4.67 2.43 4.77 -1.26 -4.83 117.00 110.48 3ko3 n LEU 105 Ca -0.12 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.33 3ko3 n LEU 105 Cb 1.03 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 42.02 3ko3 n LEU 105 CO 0.52 0.09 0.93 0.00 -1.33 0.00 0.00 177.39 177.59 3ko3 s ALA 106 N -2.20 3.62 -0.34 -1.18 0.00 -1.26 -1.83 121.76 118.58 3ko3 s ALA 106 Ca 0.38 0.29 -0.38 0.00 0.00 0.00 0.00 51.96 52.25 3ko3 s ALA 106 Cb 0.21 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.65 3ko3 s ALA 106 CO 0.40 -0.97 2.02 1.17 0.00 0.00 0.00 175.76 178.38 3ko3 n LYS 107 N 6.05 1.00 -1.43 0.00 4.81 -0.31 -4.60 118.16 123.67 3ko3 n LYS 107 Ca 0.12 0.32 -0.53 0.00 -0.87 0.00 0.00 58.31 57.34 3ko3 n LYS 107 Cb 0.46 -2.22 -0.06 0.00 0.02 0.00 0.00 35.03 33.24 3ko3 n LYS 107 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3ko3 n GLU 108 N 7.10 0.00 -0.29 1.64 0.00 -1.26 -4.29 120.64 123.54 3ko3 n GLU 108 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.53 3ko3 n GLU 108 Cb 0.16 -1.25 0.04 0.00 0.00 0.00 0.00 31.44 30.39 3ko3 n GLU 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3ko3 n PRO 109 N 1.25 -0.17 0.16 5.31 -0.02 -1.26 -0.67 135.00 139.59 3ko3 n PRO 109 Ca 0.19 1.16 -0.14 0.00 -2.02 0.00 0.00 63.50 62.69 3ko3 n PRO 109 Cb 0.16 -1.72 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 3ko3 n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ko3 h ASN 110 N 0.00 -0.68 0.84 2.55 -0.26 -2.01 -0.05 115.58 115.97 3ko3 h ASN 110 Ca 0.27 0.07 -0.16 0.00 -0.56 0.00 0.00 56.30 55.92 3ko3 h ASN 110 Cb 0.46 0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.94 3ko3 h ASN 110 CO -0.75 -0.36 -0.75 -0.33 -1.06 0.00 0.00 177.43 174.19 3ko3 h GLU 111 N -0.51 0.00 0.19 0.81 5.08 -1.87 -3.13 114.58 115.14 3ko3 h GLU 111 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3ko3 h GLU 111 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3ko3 h GLU 111 CO -0.08 0.75 -0.33 0.00 -1.00 0.00 0.00 179.01 178.35 3ko3 h ALA 112 N 1.25 -0.61 -0.32 3.43 0.00 -0.59 -1.77 119.26 120.65 3ko3 h ALA 112 Ca -0.01 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3ko3 h ALA 112 Cb 1.37 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 19.59 3ko3 h ALA 112 CO 0.10 -0.89 -0.21 1.25 0.00 0.00 0.00 179.25 179.50 3ko3 h LEU 113 N -0.60 -0.70 -0.43 0.00 5.85 -1.02 0.35 115.31 118.77 3ko3 h LEU 113 Ca 0.01 0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.96 3ko3 h LEU 113 Cb 0.59 0.35 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 3ko3 h LEU 113 CO -0.15 -0.24 -0.32 0.40 -0.34 0.00 0.00 178.44 177.79 3ko3 h ILE 114 N -0.17 0.23 0.01 4.05 2.04 -1.51 0.25 117.51 122.41 3ko3 h ILE 114 Ca 0.17 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.05 3ko3 h ILE 114 Cb 0.43 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3ko3 h ILE 114 CO -0.43 0.00 -0.16 0.15 0.00 0.00 0.00 178.15 177.71 3ko3 h PHE 115 N -0.23 -0.42 -0.35 1.37 3.04 -0.46 0.34 116.94 120.23 3ko3 h PHE 115 Ca 0.19 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.23 3ko3 h PHE 115 Cb 0.53 0.19 -0.08 0.00 2.56 0.00 0.00 35.95 39.15 3ko3 h PHE 115 CO -0.55 -0.24 -0.24 -0.92 -2.02 0.00 0.00 178.31 174.35 3ko3 h TYR 116 N -0.27 -0.62 -0.30 0.41 -0.00 -0.01 0.40 116.97 116.57 3ko3 h TYR 116 Ca 0.05 0.05 -0.02 0.00 -0.00 0.00 0.00 58.73 58.81 3ko3 h TYR 116 Cb 0.34 0.33 -0.02 0.00 -0.00 0.00 0.00 36.73 37.38 3ko3 h TYR 116 CO -0.21 -0.31 0.11 -0.91 -0.00 0.00 0.00 178.16 176.84 3ko3 h ASN 117 N -0.19 0.38 0.15 -2.11 2.35 -0.56 0.52 115.58 116.12 3ko3 h ASN 117 Ca 0.17 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.70 3ko3 h ASN 117 Cb 0.46 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 3ko3 h ASN 117 CO -0.47 0.36 -0.73 0.50 -1.65 0.00 0.00 177.43 175.44 3ko3 h LYS 118 N 0.42 0.51 0.08 0.81 3.64 0.02 0.23 116.57 122.28 3ko3 h LYS 118 Ca 0.11 -0.41 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3ko3 h LYS 118 Cb 0.11 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3ko3 h LYS 118 CO -0.01 1.04 -0.04 0.82 -2.27 0.00 0.00 179.45 178.99 3ko3 h ILE 119 N 0.35 0.98 -0.88 2.00 2.04 0.55 -1.95 117.51 120.61 3ko3 h ILE 119 Ca -0.03 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.62 3ko3 h ILE 119 Cb 1.32 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 3ko3 h ILE 119 CO 0.13 0.06 0.58 0.40 0.00 0.00 0.00 178.15 179.32 3ko3 h ILE 120 N -0.21 1.19 -0.36 -0.67 1.08 0.13 0.16 117.51 118.82 3ko3 h ILE 120 Ca -0.01 -0.39 -0.15 0.00 -0.39 0.00 0.00 64.86 63.92 3ko3 h ILE 120 Cb 0.18 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 3ko3 h ILE 120 CO 0.02 0.21 -0.36 0.44 -0.69 0.00 0.00 178.15 177.77 3ko3 h ASP 121 N 1.15 0.95 -0.36 1.72 3.32 -0.55 -2.24 116.42 120.40 3ko3 h ASP 121 Ca 0.33 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3ko3 h ASP 121 Cb -0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 3ko3 h ASP 121 CO -0.09 1.22 0.10 -0.08 -1.72 0.00 0.00 179.24 178.67 3ko3 h GLU 122 N 0.69 0.56 -0.49 3.56 4.57 -0.88 -1.31 114.58 121.28 3ko3 h GLU 122 Ca 0.06 -0.13 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 3ko3 h GLU 122 Cb 0.95 -0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 29.37 3ko3 h GLU 122 CO 0.09 0.60 -0.48 0.74 -1.18 0.00 0.00 179.01 178.78 3ko3 h PHE 123 N 0.43 -1.42 0.17 0.92 0.04 -0.64 0.65 116.94 117.09 3ko3 h PHE 123 Ca 0.11 0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.96 3ko3 h PHE 123 Cb 0.28 0.69 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 3ko3 h PHE 123 CO 0.01 -0.45 -0.13 0.87 -0.60 0.00 0.00 178.31 178.02 3ko3 h LYS 124 N -0.30 -0.29 0.00 1.51 1.57 -1.31 0.89 116.57 118.64 3ko3 h LYS 124 Ca 0.14 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3ko3 h LYS 124 Cb 0.58 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3ko3 h LYS 124 CO -0.64 -0.20 -0.10 -0.22 -0.57 0.00 0.00 179.45 177.73 3ko3 h LYS 125 N -0.30 0.00 0.00 3.15 3.64 -0.96 0.22 116.57 122.31 3ko3 h LYS 125 Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3ko3 h LYS 125 Cb 0.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3ko3 h LYS 125 CO -0.01 0.10 -1.23 0.94 -2.27 0.00 0.00 179.45 176.98 3ko3 n GLN 126 N -3.68 0.62 0.00 1.90 7.27 0.23 -4.79 117.38 118.93 3ko3 n GLN 126 Ca -0.02 0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3ko3 n GLN 126 Cb 0.21 -1.78 0.00 0.00 2.41 0.00 0.00 30.24 31.09 3ko3 n GLN 126 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 3ko3 n TYR 127 N -2.65 0.00 0.00 3.69 9.36 0.25 -5.05 117.16 122.76 3ko3 n TYR 127 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 3ko3 n TYR 127 Cb 0.60 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.31 3ko3 n TYR 127 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3ko3 n ASN 128 N -0.77 0.00 0.00 2.98 5.15 0.04 -5.04 115.26 117.62 3ko3 n ASN 128 Ca 0.00 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.12 3ko3 n ASN 128 Cb 0.00 0.00 0.76 0.00 -0.53 0.00 0.00 39.78 40.01 3ko3 n ASN 128 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3ko3 n ASP 129 N 0.00 0.00 0.06 1.20 3.85 -1.21 -2.21 116.55 118.24 3ko3 n ASP 129 Ca 0.00 -0.47 0.13 0.00 -0.71 0.00 0.00 54.79 53.74 3ko3 n ASP 129 Cb 0.00 -0.15 0.49 0.00 -1.35 0.00 0.00 41.12 40.11 3ko3 n ASP 129 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3ko3 n ASP 130 N -1.15 0.45 -0.00 -1.12 2.03 -1.26 -3.81 116.55 111.69 3ko3 n ASP 130 Ca 0.17 0.55 0.03 0.00 0.52 0.00 0.00 54.79 56.06 3ko3 n ASP 130 Cb 0.16 -0.67 -0.04 0.00 -0.72 0.00 0.00 41.12 39.85 3ko3 n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ko3 n LYS 131 N -1.93 4.42 -3.19 -0.67 4.76 -0.94 -4.88 118.16 115.73 3ko3 n LYS 131 Ca 0.06 -0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.08 3ko3 n LYS 131 Cb 0.37 -0.85 -0.07 0.00 -1.84 0.00 0.00 35.03 32.64 3ko3 n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ko3 s ILE 132 N -1.71 4.97 0.05 -0.18 -1.09 -1.24 -1.13 121.20 120.88 3ko3 s ILE 132 Ca 0.02 0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.90 3ko3 s ILE 132 Cb 0.05 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 3ko3 s ILE 132 CO 0.28 -0.25 0.09 -0.54 -1.23 0.00 0.00 174.94 173.29 3ko3 s LYS 133 N 2.52 2.98 0.26 2.79 -0.14 0.26 -4.96 119.74 123.44 3ko3 s LYS 133 Ca 0.21 -0.61 0.10 0.00 -1.36 0.00 0.00 55.97 54.31 3ko3 s LYS 133 Cb -0.15 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 33.16 3ko3 s LYS 133 CO 0.14 0.59 -0.04 0.96 -0.76 0.00 0.00 175.35 176.24 3ko3 s ILE 134 N -1.34 3.29 0.00 2.17 -4.36 -1.26 -1.59 121.20 118.11 3ko3 s ILE 134 Ca 0.28 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3ko3 s ILE 134 Cb -0.12 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.85 3ko3 s ILE 134 CO 0.20 -0.34 0.00 0.61 0.24 0.00 0.00 174.94 175.65 3ko3 n GLY 135 N -0.73 1.07 2.86 6.27 0.00 -1.09 -4.77 105.19 108.80 3ko3 n GLY 135 Ca -0.07 -1.22 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 3ko3 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ko3 s LYS 136 N 1.10 0.30 0.00 1.61 -0.14 -1.26 -5.05 119.74 116.30 3ko3 s LYS 136 Ca 0.00 0.38 0.00 0.00 -1.36 0.00 0.00 55.97 54.99 3ko3 s LYS 136 Cb 0.00 -0.71 0.00 0.00 -1.68 0.00 0.00 37.83 35.44 3ko3 s LYS 136 CO 0.00 -0.68 0.99 0.34 -0.76 0.00 0.00 175.35 175.24 3ko3 n PHE 137 N 5.35 0.00 1.43 3.18 7.35 -1.26 -2.35 117.46 131.15 3ko3 n PHE 137 Ca -0.04 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.76 3ko3 n PHE 137 Cb 0.50 -0.49 0.62 0.00 0.35 0.00 0.00 39.48 40.46 3ko3 n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ko3 n GLY 138 N -1.00 -0.71 3.47 7.13 0.00 -1.26 -4.91 105.19 107.91 3ko3 n GLY 138 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3ko3 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ko3 s ASN 139 N -1.94 3.82 0.26 1.61 0.01 -0.99 -5.10 114.94 112.60 3ko3 s ASN 139 Ca 0.32 -0.48 -0.30 0.00 -0.71 0.00 0.00 52.86 51.69 3ko3 s ASN 139 Cb 0.14 -0.58 -0.11 0.00 0.41 0.00 0.00 41.25 41.12 3ko3 s ASN 139 CO 0.24 0.23 1.53 -0.47 -1.51 0.00 0.00 177.10 177.12 3ko3 s TYR 140 N -1.00 2.91 0.09 2.20 5.04 -1.26 -4.85 117.35 120.47 3ko3 s TYR 140 Ca 0.16 0.86 0.04 0.00 -2.44 0.00 0.00 57.07 55.69 3ko3 s TYR 140 Cb -0.10 -3.95 -0.03 0.00 0.35 0.00 0.00 41.96 38.22 3ko3 s TYR 140 CO 0.07 -3.19 -0.11 -1.64 -1.34 0.00 0.00 175.55 169.33 3ko3 s MET 141 N -0.22 0.83 -0.23 4.97 -1.94 -1.26 -3.95 119.30 117.48 3ko3 s MET 141 Ca 0.63 -1.07 0.01 0.00 -1.71 0.00 0.00 55.69 53.54 3ko3 s MET 141 Cb -0.45 -0.62 0.04 0.00 2.01 0.00 0.00 34.83 35.81 3ko3 s MET 141 CO 0.44 0.11 -0.12 1.21 -0.01 0.00 0.00 175.02 176.65 3ko3 s ASN 142 N -2.18 4.04 -0.26 3.03 2.47 0.21 -4.96 114.94 117.30 3ko3 s ASN 142 Ca 0.02 -1.01 0.02 0.00 0.42 0.00 0.00 52.86 52.31 3ko3 s ASN 142 Cb -0.06 -1.57 0.06 0.00 -1.45 0.00 0.00 41.25 38.23 3ko3 s ASN 142 CO 0.01 -0.12 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.54 3ko3 s ILE 143 N 1.23 2.26 -0.75 -5.21 1.01 -1.26 -0.81 121.20 117.68 3ko3 s ILE 143 Ca -0.02 -1.60 -0.22 0.00 0.00 0.00 0.00 60.65 58.81 3ko3 s ILE 143 Cb -0.17 -2.33 0.08 0.00 0.01 0.00 0.00 42.46 40.06 3ko3 s ILE 143 CO -0.07 -0.03 1.04 -1.81 0.00 0.00 0.00 174.94 174.07 3ko3 s ASP 144 N 1.12 6.30 -0.14 3.58 1.11 -0.87 -4.92 116.67 122.85 3ko3 s ASP 144 Ca -0.08 -1.24 -0.16 0.00 0.18 0.00 0.00 52.55 51.24 3ko3 s ASP 144 Cb -0.20 -2.43 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 3ko3 s ASP 144 CO -0.05 -1.37 0.39 -0.69 1.18 0.00 0.00 175.17 174.63 3ko3 s VAL 145 N 3.85 5.24 -0.59 -1.27 1.01 -1.26 -2.18 120.40 125.20 3ko3 s VAL 145 Ca 0.26 0.76 -0.21 0.00 0.00 0.00 0.00 61.98 62.79 3ko3 s VAL 145 Cb -0.13 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.59 3ko3 s VAL 145 CO 0.05 0.35 0.83 -0.89 0.00 0.00 0.00 175.10 175.44 3ko3 s THR 146 N 0.59 4.56 -0.30 3.92 2.01 -0.37 -5.02 115.64 121.02 3ko3 s THR 146 Ca 0.21 -0.42 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 3ko3 s THR 146 Cb -0.14 -4.54 0.01 0.00 0.01 0.00 0.00 72.50 67.84 3ko3 s THR 146 CO 0.07 -1.19 0.95 0.20 -0.69 0.00 0.00 174.62 173.96 3ko3 s ASN 147 N 3.32 6.84 -0.78 3.53 0.01 -1.26 -1.45 114.94 125.15 3ko3 s ASN 147 Ca 0.20 0.92 -0.19 0.00 -0.71 0.00 0.00 52.86 53.08 3ko3 s ASN 147 Cb -0.18 -2.49 0.12 0.00 0.41 0.00 0.00 41.25 39.11 3ko3 s ASN 147 CO 0.11 -0.75 0.95 -0.62 -1.51 0.00 0.00 177.10 175.29 3ko3 s ASP 148 N 1.59 6.43 0.00 -1.22 2.15 0.51 -4.51 116.67 121.63 3ko3 s ASP 148 Ca 0.40 -1.72 0.00 0.00 0.43 0.00 0.00 52.55 51.65 3ko3 s ASP 148 Cb -0.13 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 3ko3 s ASP 148 CO 0.13 -1.11 0.00 0.61 -0.17 0.00 0.00 175.17 174.63 3ko3 n GLY 149 N 5.25 2.12 3.93 2.66 0.00 -1.26 -3.38 105.19 114.51 3ko3 n GLY 149 Ca 0.09 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 3ko3 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko3 s PRO 150 N 0.00 1.28 -0.16 1.61 0.04 -1.26 -5.17 135.00 131.34 3ko3 s PRO 150 Ca 0.00 -0.35 -0.02 0.00 0.04 0.00 0.00 61.00 60.67 3ko3 s PRO 150 Cb 0.00 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.62 3ko3 s PRO 150 CO 0.00 -1.96 -0.00 0.08 0.04 0.00 0.00 177.00 175.16 3ko3 s VAL 151 N -3.65 0.68 -0.17 -0.36 1.01 -1.22 -5.01 120.40 111.68 3ko3 s VAL 151 Ca 0.68 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3ko3 s VAL 151 Cb -0.07 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.33 3ko3 s VAL 151 CO 0.50 0.00 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 3ko3 s THR 152 N 1.81 2.07 0.05 3.92 2.01 -1.26 -1.69 115.64 122.56 3ko3 s THR 152 Ca 0.01 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.12 3ko3 s THR 152 Cb -0.15 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 3ko3 s THR 152 CO -0.07 0.54 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.70 3ko3 s ILE 153 N 1.23 3.60 -0.07 1.82 -1.09 -0.46 -4.98 121.20 121.25 3ko3 s ILE 153 Ca 0.03 -0.98 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 3ko3 s ILE 153 Cb -0.13 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.13 3ko3 s ILE 153 CO -0.11 0.26 -0.10 -0.47 -1.23 0.00 0.00 174.94 173.28 3ko3 s TYR 154 N -1.12 1.32 -0.12 3.97 6.14 -1.26 -1.17 117.35 125.11 3ko3 s TYR 154 Ca 0.20 -0.50 0.03 0.00 0.64 0.00 0.00 57.07 57.44 3ko3 s TYR 154 Cb -0.11 -1.01 0.01 0.00 0.42 0.00 0.00 41.96 41.27 3ko3 s TYR 154 CO 0.11 -0.29 -0.20 0.42 0.64 0.00 0.00 175.55 176.24 3ko3 s ILE 155 N 0.86 1.81 -0.20 3.14 1.01 -0.42 -4.98 121.20 122.42 3ko3 s ILE 155 Ca -0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 3ko3 s ILE 155 Cb -0.15 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3ko3 s ILE 155 CO 0.01 0.50 -0.02 -0.62 0.00 0.00 0.00 174.94 174.82 3ko3 s ASP 156 N 0.76 4.71 0.35 3.58 -1.08 -1.26 -0.99 116.67 122.74 3ko3 s ASP 156 Ca -0.10 -0.23 0.18 0.00 -0.52 0.00 0.00 52.55 51.88 3ko3 s ASP 156 Cb -0.16 -1.80 0.49 0.00 -1.46 0.00 0.00 42.92 39.99 3ko3 s ASP 156 CO 0.01 0.07 1.64 0.71 0.52 0.00 0.00 175.17 178.12 3ko3 h THR 157 N 5.41 0.86 0.00 1.71 1.35 -1.56 -2.96 112.91 117.71 3ko3 h THR 157 Ca -0.36 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 3ko3 h THR 157 Cb 1.18 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3ko3 h THR 157 CO 0.61 0.40 0.00 1.41 -0.25 0.00 0.00 175.52 177.69 3ko3 n HIS 158 N -3.41 0.00 1.05 4.73 8.25 -1.26 0.21 115.22 124.78 3ko3 n HIS 158 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 3ko3 n HIS 158 Cb 0.58 -0.37 0.21 0.00 1.12 0.00 0.00 29.99 31.54 3ko3 n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ko3 n ASP 159 N -1.37 0.73 -4.75 0.41 8.00 -1.12 -4.93 116.55 113.53 3ko3 n ASP 159 Ca 0.05 -0.53 -0.31 0.00 0.71 0.00 0.00 54.79 54.71 3ko3 n ASP 159 Cb 0.12 0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 3ko3 n ASP 159 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ko3 s ILE 160 N -2.88 4.46 -0.41 0.53 1.09 0.13 -5.08 121.20 119.04 3ko3 s ILE 160 Ca 0.13 -0.68 -0.29 0.00 -1.10 0.00 0.00 60.65 58.72 3ko3 s ILE 160 Cb 0.18 -3.10 0.01 0.00 -1.06 0.00 0.00 42.46 38.49 3ko3 s ILE 160 CO 0.69 0.22 1.39 0.54 -0.10 0.00 0.00 174.94 177.67 3ko3 s ASN 161 N -2.09 6.37 0.00 3.58 4.22 -1.26 -5.00 114.94 120.76 3ko3 s ASN 161 Ca 0.26 0.82 0.00 0.00 -2.14 0.00 0.00 52.86 51.80 3ko3 s ASN 161 Cb -0.12 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 39.87 3ko3 s ASN 161 CO 0.18 -1.40 0.00 0.00 -2.04 0.00 0.00 177.10 173.83