#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ko5 s ARG 2 N 0.00 2.52 -0.02 2.12 0.52 -0.16 -0.49 118.95 123.44 3ko5 s ARG 2 Ca 0.00 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.36 3ko5 s ARG 2 Cb 0.00 -2.21 0.01 0.00 0.52 0.00 0.00 34.95 33.28 3ko5 s ARG 2 CO 0.00 0.44 -0.02 0.54 0.02 0.00 0.00 175.30 176.28 3ko5 s VAL 3 N -0.30 0.27 -0.24 3.52 0.11 0.33 0.11 120.40 124.20 3ko5 s VAL 3 Ca 0.01 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 3ko5 s VAL 3 Cb -0.13 -0.30 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 3ko5 s VAL 3 CO 0.02 0.13 0.08 -0.69 -3.33 0.00 0.00 175.10 171.31 3ko5 s VAL 4 N 0.54 4.55 -0.17 2.04 1.01 -0.05 -1.05 120.40 127.27 3ko5 s VAL 4 Ca -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3ko5 s VAL 4 Cb -0.09 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 3ko5 s VAL 4 CO -0.01 0.36 -0.05 -0.63 0.00 0.00 0.00 175.10 174.77 3ko5 s ILE 5 N 1.31 3.65 -0.07 2.22 1.01 0.49 -0.38 121.20 129.44 3ko5 s ILE 5 Ca 0.05 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.32 3ko5 s ILE 5 Cb -0.15 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 3ko5 s ILE 5 CO 0.04 0.48 -0.24 -1.10 0.00 0.00 0.00 174.94 174.12 3ko5 s GLN 6 N 0.61 2.64 -0.06 2.79 -0.21 0.20 -0.50 119.66 125.13 3ko5 s GLN 6 Ca -0.03 -0.88 -0.30 0.00 0.02 0.00 0.00 55.36 54.17 3ko5 s GLN 6 Cb -0.15 -2.16 -0.02 0.00 1.00 0.00 0.00 33.01 31.68 3ko5 s GLN 6 CO 0.03 0.31 1.06 0.50 -2.12 0.00 0.00 175.29 175.07 3ko5 s ARG 7 N -0.00 4.43 0.15 2.91 3.52 -0.81 -1.60 118.95 127.55 3ko5 s ARG 7 Ca -0.08 1.49 0.08 0.00 -0.13 0.00 0.00 55.73 57.09 3ko5 s ARG 7 Cb -0.15 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3ko5 s ARG 7 CO 0.05 -0.30 -0.18 0.14 -0.81 0.00 0.00 175.30 174.20 3ko5 s VAL 8 N 1.82 1.77 -0.83 7.11 -7.23 -0.04 -0.40 120.40 122.60 3ko5 s VAL 8 Ca 0.51 -1.84 0.24 0.00 -1.81 0.00 0.00 61.98 59.08 3ko5 s VAL 8 Cb -0.21 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 3ko5 s VAL 8 CO 0.21 -0.28 1.23 0.29 -0.31 0.00 0.00 175.10 176.24 3ko5 n LYS 9 N 0.44 0.13 0.00 4.82 5.02 -0.51 -2.01 118.16 126.05 3ko5 n LYS 9 Ca -0.14 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3ko5 n LYS 9 Cb 0.56 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 3ko5 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ko5 n GLY 10 N 1.44 1.36 3.13 0.72 0.00 -1.14 -2.59 105.19 108.10 3ko5 n GLY 10 Ca 0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 3ko5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ko5 s ALA 11 N -2.00 -0.63 -0.19 4.61 0.00 -0.72 -1.10 121.76 121.73 3ko5 s ALA 11 Ca 0.00 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3ko5 s ALA 11 Cb 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.69 3ko5 s ALA 11 CO 0.00 -0.14 -0.09 0.42 0.00 0.00 0.00 175.76 175.95 3ko5 s ILE 12 N 0.37 1.51 -0.24 0.00 1.01 0.41 -1.40 121.20 122.87 3ko5 s ILE 12 Ca -0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 3ko5 s ILE 12 Cb -0.03 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3ko5 s ILE 12 CO -0.02 0.15 0.06 -0.22 0.00 0.00 0.00 174.94 174.91 3ko5 s LEU 13 N 1.45 3.42 0.21 2.97 0.20 -0.01 -0.62 118.68 126.30 3ko5 s LEU 13 Ca -0.01 -0.19 0.10 0.00 0.69 0.00 0.00 54.13 54.72 3ko5 s LEU 13 Cb -0.16 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 3ko5 s LEU 13 CO -0.08 -0.01 -0.14 -0.44 -0.29 0.00 0.00 176.35 175.39 3ko5 s SER 14 N 1.44 3.94 0.27 3.68 0.01 0.65 -0.98 113.70 122.73 3ko5 s SER 14 Ca 0.05 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.60 3ko5 s SER 14 Cb -0.15 -0.53 -0.06 0.00 0.21 0.00 0.00 66.02 65.49 3ko5 s SER 14 CO 0.03 0.09 0.05 0.68 0.41 0.00 0.00 173.24 174.50 3ko5 s VAL 15 N -1.89 0.94 0.32 3.43 -7.23 0.39 -1.02 120.40 115.35 3ko5 s VAL 15 Ca 0.25 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.13 3ko5 s VAL 15 Cb -0.08 -2.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 3ko5 s VAL 15 CO 0.14 -0.10 1.16 -0.13 -0.31 0.00 0.00 175.10 175.85 3ko5 s ARG 16 N -3.93 4.42 0.00 4.82 0.52 -1.26 0.18 118.95 123.70 3ko5 s ARG 16 Ca 0.34 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.44 3ko5 s ARG 16 Cb 0.07 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.53 3ko5 s ARG 16 CO 0.13 -0.01 0.00 1.17 0.02 0.00 0.00 175.30 176.61 3ko5 n LYS 17 N 0.79 0.00 -0.25 3.54 4.81 -1.26 -4.79 118.16 121.00 3ko5 n LYS 17 Ca 0.01 0.27 0.10 0.00 -0.87 0.00 0.00 58.31 57.81 3ko5 n LYS 17 Cb 0.45 -0.94 0.20 0.00 0.02 0.00 0.00 35.03 34.76 3ko5 n LYS 17 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3ko5 n LYS 25 N -0.67 -0.06 0.20 1.64 0.00 -1.26 -4.11 118.16 113.90 3ko5 n LYS 25 Ca 0.00 1.07 0.09 0.00 0.00 0.00 0.00 58.31 59.46 3ko5 n LYS 25 Cb 0.31 -1.68 0.25 0.00 0.00 0.00 0.00 35.03 33.90 3ko5 n LYS 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 3ko5 h GLU 26 N 0.00 0.00 -5.95 1.64 4.81 -2.01 -3.44 114.58 109.63 3ko5 h GLU 26 Ca 0.42 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 59.01 3ko5 h GLU 26 Cb 0.85 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.15 3ko5 h GLU 26 CO -0.67 0.22 -0.54 -0.51 -0.73 0.00 0.00 179.01 176.78 3ko5 s LEU 27 N -6.43 4.10 -0.10 1.64 1.43 -1.26 -4.48 118.68 113.57 3ko5 s LEU 27 Ca 0.04 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 3ko5 s LEU 27 Cb 0.08 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.83 3ko5 s LEU 27 CO 0.67 0.25 -0.11 -0.70 0.23 0.00 0.00 176.35 176.69 3ko5 s GLU 28 N -1.96 1.74 0.04 1.70 2.12 0.13 -4.84 118.70 117.62 3ko5 s GLU 28 Ca 0.26 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 3ko5 s GLU 28 Cb -0.12 -1.60 -0.06 0.00 0.26 0.00 0.00 34.13 32.62 3ko5 s GLU 28 CO 0.18 -0.12 1.25 0.42 -0.54 0.00 0.00 175.26 176.45 3ko5 s ILE 29 N 1.19 3.93 -0.02 -3.70 1.01 -1.26 -0.46 121.20 121.89 3ko5 s ILE 29 Ca -0.04 1.36 0.02 0.00 0.00 0.00 0.00 60.65 61.99 3ko5 s ILE 29 Cb -0.14 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 3ko5 s ILE 29 CO -0.03 0.07 0.02 2.30 0.00 0.00 0.00 174.94 177.30 3ko5 n ILE 30 N 4.14 0.11 -3.88 2.92 -5.35 -0.15 -4.96 119.36 112.19 3ko5 n ILE 30 Ca 0.10 -0.08 -0.10 0.00 -0.27 0.00 0.00 62.75 62.40 3ko5 n ILE 30 Cb 0.45 -0.55 -0.09 0.00 -1.74 0.00 0.00 39.64 37.72 3ko5 n ILE 30 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ko5 s SER 31 N -2.98 0.09 -0.28 7.28 1.04 -1.14 -5.05 113.70 112.66 3ko5 s SER 31 Ca -0.01 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 55.77 3ko5 s SER 31 Cb 0.01 0.26 0.09 0.00 0.10 0.00 0.00 66.02 66.48 3ko5 s SER 31 CO 0.09 -0.53 0.79 -0.70 0.98 0.00 0.00 173.24 173.87 3ko5 s GLU 32 N -2.53 0.71 0.27 4.02 2.12 -1.26 -0.83 118.70 121.19 3ko5 s GLU 32 Ca -0.05 0.95 0.08 0.00 0.36 0.00 0.00 54.97 56.31 3ko5 s GLU 32 Cb -0.01 0.29 -0.05 0.00 0.26 0.00 0.00 34.13 34.61 3ko5 s GLU 32 CO -0.04 -0.10 -0.11 0.96 -0.54 0.00 0.00 175.26 175.42 3ko5 s ILE 33 N 0.71 1.91 0.00 -3.70 -4.36 -0.49 -4.99 121.20 110.29 3ko5 s ILE 33 Ca -0.02 -2.22 0.00 0.00 -0.26 0.00 0.00 60.65 58.15 3ko5 s ILE 33 Cb -0.05 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.33 3ko5 s ILE 33 CO -0.06 -0.39 0.00 0.29 0.24 0.00 0.00 174.94 175.02 3ko5 n LYS 34 N -0.56 0.23 -1.70 0.37 4.76 -1.26 -1.75 118.16 118.24 3ko5 n LYS 34 Ca -0.06 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.95 3ko5 n LYS 34 Cb 0.62 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.80 3ko5 n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ko5 n ASN 35 N 0.00 2.84 0.00 4.39 3.02 -1.07 -2.90 115.26 121.54 3ko5 n ASN 35 Ca 0.00 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 3ko5 n ASN 35 Cb 0.00 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.69 3ko5 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ko5 n GLY 36 N 1.01 -0.04 3.15 7.41 0.00 -0.85 -1.81 105.19 114.06 3ko5 n GLY 36 Ca 0.06 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 3ko5 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ko5 s LEU 37 N 0.00 1.97 -0.21 0.99 1.43 -0.25 -0.86 118.68 121.75 3ko5 s LEU 37 Ca 0.00 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3ko5 s LEU 37 Cb 0.00 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 3ko5 s LEU 37 CO 0.00 0.18 0.20 -0.51 0.23 0.00 0.00 176.35 176.46 3ko5 s ILE 38 N -0.19 5.35 -0.25 -0.59 2.07 -0.63 -0.66 121.20 126.30 3ko5 s ILE 38 Ca 0.02 0.32 0.03 0.00 -1.41 0.00 0.00 60.65 59.60 3ko5 s ILE 38 Cb -0.09 -3.54 0.06 0.00 0.13 0.00 0.00 42.46 39.01 3ko5 s ILE 38 CO 0.01 0.37 -0.12 0.00 -1.91 0.00 0.00 174.94 173.29 3ko5 s PHE 40 N 1.12 3.10 -0.19 0.00 0.08 0.49 -0.79 117.98 121.80 3ko5 s PHE 40 Ca -0.07 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.92 3ko5 s PHE 40 Cb -0.19 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 39.00 3ko5 s PHE 40 CO -0.06 -0.79 -0.02 -1.17 -0.10 0.00 0.00 175.22 173.08 3ko5 s LEU 41 N 2.70 3.18 -0.18 -0.37 2.96 0.65 -0.87 118.68 126.74 3ko5 s LEU 41 Ca 0.21 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.86 3ko5 s LEU 41 Cb -0.15 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3ko5 s LEU 41 CO 0.17 0.09 0.00 -0.83 -1.32 0.00 0.00 176.35 174.47 3ko5 s GLY 42 N 0.83 1.77 -0.26 7.98 0.00 0.31 0.88 107.32 118.82 3ko5 s GLY 42 Ca -0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 3ko5 s GLY 42 CO 0.02 0.09 0.11 -0.42 0.00 0.00 0.00 173.10 172.89 3ko5 s ILE 43 N 0.62 4.56 0.42 0.90 1.01 -1.26 -0.99 121.20 126.47 3ko5 s ILE 43 Ca -0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 3ko5 s ILE 43 Cb -0.14 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 39.06 3ko5 s ILE 43 CO 0.02 0.28 0.96 -2.28 0.00 0.00 0.00 174.94 173.93 3ko5 s HIS 44 N 1.65 3.33 0.24 3.97 5.65 -1.26 -1.52 115.29 127.34 3ko5 s HIS 44 Ca 0.06 1.63 -0.08 0.00 0.25 0.00 0.00 55.06 56.93 3ko5 s HIS 44 Cb -0.16 -2.89 0.38 0.00 -1.18 0.00 0.00 32.58 28.74 3ko5 s HIS 44 CO 0.06 -0.15 1.35 1.63 -0.65 0.00 0.00 174.74 176.97 3ko5 n LYS 45 N -0.50 -0.09 -0.81 2.88 5.02 -0.90 -1.95 118.16 121.81 3ko5 n LYS 45 Ca 0.07 1.35 0.00 0.00 -2.02 0.00 0.00 58.31 57.71 3ko5 n LYS 45 Cb 0.53 -2.01 0.29 0.00 -0.02 0.00 0.00 35.03 33.82 3ko5 n LYS 45 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ko5 n ASN 46 N -5.40 4.40 -4.77 4.39 3.02 -1.26 -4.84 115.26 110.80 3ko5 n ASN 46 Ca 0.13 -3.19 -0.41 0.00 -0.03 0.00 0.00 54.58 51.08 3ko5 n ASN 46 Cb 0.43 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 38.92 3ko5 n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ko5 s ASP 47 N -1.46 6.53 0.38 6.41 1.01 -0.82 -5.03 116.67 123.68 3ko5 s ASP 47 Ca 0.50 2.87 0.08 0.00 0.71 0.00 0.00 52.55 56.71 3ko5 s ASP 47 Cb 0.40 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 3ko5 s ASP 47 CO 0.11 -0.74 0.17 0.42 0.21 0.00 0.00 175.17 175.33 3ko5 s THR 48 N -0.85 2.67 0.55 -1.27 -4.23 -1.26 -5.01 115.64 106.24 3ko5 s THR 48 Ca 0.54 -1.68 0.23 0.00 -1.18 0.00 0.00 61.69 59.59 3ko5 s THR 48 Cb -0.44 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 70.76 3ko5 s THR 48 CO 0.55 -0.09 2.13 -0.25 -0.54 0.00 0.00 174.62 176.42 3ko5 h TRP 49 N 1.47 0.00 -0.28 3.99 2.91 -1.99 -0.98 115.95 121.07 3ko5 h TRP 49 Ca -0.43 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.51 3ko5 h TRP 49 Cb 1.25 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 3ko5 h TRP 49 CO 0.62 0.00 -0.19 0.93 -1.03 0.00 0.00 178.44 178.77 3ko5 h GLU 50 N 0.00 0.50 -0.26 2.65 4.39 -1.98 0.94 114.58 120.82 3ko5 h GLU 50 Ca 0.07 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3ko5 h GLU 50 Cb 0.30 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3ko5 h GLU 50 CO -0.00 0.67 -0.02 -0.44 -1.16 0.00 0.00 179.01 178.06 3ko5 h ASP 51 N 0.45 0.47 -0.60 1.42 3.32 -1.58 -2.28 116.42 117.62 3ko5 h ASP 51 Ca 0.07 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3ko5 h ASP 51 Cb 0.59 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3ko5 h ASP 51 CO 0.04 0.68 0.38 0.00 -1.72 0.00 0.00 179.24 178.62 3ko5 h ALA 52 N 0.80 0.76 -0.88 3.45 0.00 -1.23 -2.48 119.26 119.68 3ko5 h ALA 52 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ko5 h ALA 52 Cb 0.46 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3ko5 h ALA 52 CO 0.02 0.21 0.58 -0.07 0.00 0.00 0.00 179.25 179.99 3ko5 h LEU 53 N 0.81 1.01 -0.43 0.00 3.38 -0.78 -2.12 115.31 117.18 3ko5 h LEU 53 Ca 0.22 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3ko5 h LEU 53 Cb -0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3ko5 h LEU 53 CO -0.04 0.73 0.24 0.22 0.09 0.00 0.00 178.44 179.68 3ko5 h TYR 54 N 1.19 0.58 -0.09 1.13 3.20 -1.18 -1.60 116.97 120.20 3ko5 h TYR 54 Ca 0.32 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.20 3ko5 h TYR 54 Cb -0.13 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3ko5 h TYR 54 CO -0.01 0.43 -0.04 0.82 -1.64 0.00 0.00 178.16 177.72 3ko5 h ILE 55 N 0.56 0.87 -0.26 1.81 1.08 -1.13 -1.87 117.51 118.57 3ko5 h ILE 55 Ca 0.15 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 3ko5 h ILE 55 Cb 0.04 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 3ko5 h ILE 55 CO -0.03 0.00 0.13 0.40 -0.69 0.00 0.00 178.15 177.96 3ko5 h ILE 56 N -0.03 1.14 -0.71 -0.67 2.04 -1.31 -0.43 117.51 117.55 3ko5 h ILE 56 Ca 0.05 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.57 3ko5 h ILE 56 Cb 0.10 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3ko5 h ILE 56 CO -0.11 0.14 0.41 -0.09 0.00 0.00 0.00 178.15 178.50 3ko5 h ARG 57 N 0.29 0.74 -0.16 2.37 2.43 -1.20 -1.27 114.38 117.58 3ko5 h ARG 57 Ca 0.09 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3ko5 h ARG 57 Cb 0.11 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3ko5 h ARG 57 CO -0.01 0.49 -0.37 0.87 -1.51 0.00 0.00 179.97 179.44 3ko5 h LYS 58 N 0.76 0.54 -0.99 0.20 1.79 -1.10 -0.67 116.57 117.10 3ko5 h LYS 58 Ca 0.31 -0.36 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3ko5 h LYS 58 Cb 0.17 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.82 3ko5 h LYS 58 CO -0.17 0.98 0.64 0.00 -1.08 0.00 0.00 179.45 179.81 3ko5 h LEU 60 N 1.34 0.00 0.00 0.00 3.38 -1.23 -3.39 115.31 115.42 3ko5 h LEU 60 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3ko5 h LEU 60 Cb -0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3ko5 h LEU 60 CO -0.08 0.71 -0.43 0.59 0.09 0.00 0.00 178.44 179.33 3ko5 n ASN 61 N -3.21 0.56 -4.69 -0.43 3.02 -0.26 -3.95 115.26 106.29 3ko5 n ASN 61 Ca -0.01 -0.63 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 3ko5 n ASN 61 Cb 0.84 1.03 -0.03 0.00 -0.61 0.00 0.00 39.78 41.01 3ko5 n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ko5 s LEU 62 N -2.45 4.36 -0.91 3.41 1.43 0.50 -4.72 118.68 120.30 3ko5 s LEU 62 Ca 0.02 2.41 -0.21 0.00 -1.03 0.00 0.00 54.13 55.33 3ko5 s LEU 62 Cb 0.06 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.80 3ko5 s LEU 62 CO 0.32 -0.83 1.22 -0.13 0.23 0.00 0.00 176.35 177.16 3ko5 s ARG 63 N 2.29 3.51 0.00 1.70 0.52 -1.26 -4.20 118.95 121.50 3ko5 s ARG 63 Ca 0.71 -1.35 0.13 0.00 -0.52 0.00 0.00 55.73 54.69 3ko5 s ARG 63 Cb -0.38 -4.93 0.22 0.00 0.52 0.00 0.00 34.95 30.38 3ko5 s ARG 63 CO 0.31 -1.94 1.10 1.28 0.02 0.00 0.00 175.30 176.06 3ko5 n LEU 64 N 7.62 2.56 -4.45 2.53 4.77 -0.77 -3.85 117.00 125.41 3ko5 n LEU 64 Ca 0.22 -1.49 -0.30 0.00 -0.03 0.00 0.00 56.01 54.41 3ko5 n LEU 64 Cb 0.49 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.33 3ko5 n LEU 64 CO 0.58 0.57 -0.50 0.26 -1.33 0.00 0.00 177.39 176.97 3ko5 s TRP 65 N -1.03 2.51 0.71 -1.77 0.51 -0.76 -4.85 118.94 114.25 3ko5 s TRP 65 Ca 0.21 -0.28 -0.13 0.00 -2.12 0.00 0.00 56.10 53.78 3ko5 s TRP 65 Cb 0.12 -1.40 0.03 0.00 -0.81 0.00 0.00 33.47 31.41 3ko5 s TRP 65 CO 0.17 0.30 1.10 -0.80 -0.51 0.00 0.00 176.95 177.21 3ko5 s ASN 66 N -1.73 4.84 -0.23 2.95 0.01 -1.26 -0.96 114.94 118.56 3ko5 s ASN 66 Ca 0.16 1.90 -0.03 0.00 -0.71 0.00 0.00 52.86 54.18 3ko5 s ASN 66 Cb -0.10 -2.54 0.11 0.00 0.41 0.00 0.00 41.25 39.13 3ko5 s ASN 66 CO 0.07 -1.81 0.28 0.21 -1.51 0.00 0.00 177.10 174.34 3ko5 s ASN 67 N -2.99 1.12 1.35 -1.22 3.84 0.10 -4.72 114.94 112.42 3ko5 s ASN 67 Ca 0.64 -0.20 0.00 0.00 0.21 0.00 0.00 52.86 53.51 3ko5 s ASN 67 Cb -0.19 0.61 0.00 0.00 -0.55 0.00 0.00 41.25 41.12 3ko5 s ASN 67 CO 0.48 -0.33 0.00 0.47 -2.79 0.00 0.00 177.10 174.93 3ko5 n ASP 68 N 5.33 0.00 0.00 -4.21 10.43 -1.26 -0.96 116.55 125.88 3ko5 n ASP 68 Ca -0.04 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.44 3ko5 n ASP 68 Cb 0.49 0.00 0.59 0.00 1.84 0.00 0.00 41.12 44.04 3ko5 n ASP 68 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ko5 n ASN 69 N 7.30 0.00 -4.55 -2.24 3.02 -1.26 -4.85 115.26 112.68 3ko5 n ASN 69 Ca 0.00 0.24 -0.34 0.00 -0.03 0.00 0.00 54.58 54.45 3ko5 n ASN 69 Cb 0.00 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.65 3ko5 n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ko5 s LYS 70 N -2.81 3.56 0.30 3.52 1.02 -0.14 -5.11 119.74 120.08 3ko5 s LYS 70 Ca 0.18 -0.48 -0.00 0.00 0.02 0.00 0.00 55.97 55.69 3ko5 s LYS 70 Cb 0.17 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 3ko5 s LYS 70 CO 0.43 0.34 0.50 0.95 -0.92 0.00 0.00 175.35 176.66 3ko5 s THR 71 N 0.10 5.13 -1.18 2.17 -4.23 -1.26 0.03 115.64 116.40 3ko5 s THR 71 Ca 0.00 -0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 59.80 3ko5 s THR 71 Cb -0.13 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.91 3ko5 s THR 71 CO 0.02 -0.44 0.74 0.79 -0.54 0.00 0.00 174.62 175.19 3ko5 n TRP 72 N -1.43 -1.63 0.00 3.99 7.02 -1.24 -4.88 117.44 119.27 3ko5 n TRP 72 Ca -0.05 0.24 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 3ko5 n TRP 72 Cb 0.55 -3.08 0.00 0.00 -2.42 0.00 0.00 31.31 26.37 3ko5 n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ko5 n ASP 73 N -2.38 4.11 -4.20 -0.99 2.03 -0.14 -4.83 116.55 110.15 3ko5 n ASP 73 Ca -0.10 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 54.93 3ko5 n ASP 73 Cb 0.57 0.33 -0.16 0.00 -0.72 0.00 0.00 41.12 41.15 3ko5 n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ko5 s LYS 74 N -1.86 1.86 0.55 -0.67 -0.14 -0.79 -4.91 119.74 113.78 3ko5 s LYS 74 Ca 0.00 -0.73 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 3ko5 s LYS 74 Cb 0.00 -1.70 0.04 0.00 -1.68 0.00 0.00 37.83 34.49 3ko5 s LYS 74 CO 0.00 0.37 0.77 0.54 -0.76 0.00 0.00 175.35 176.27 3ko5 s ASN 75 N -0.27 5.24 0.37 2.83 2.20 -1.26 -1.84 114.94 122.22 3ko5 s ASN 75 Ca 0.02 -0.10 0.11 0.00 -0.94 0.00 0.00 52.86 51.95 3ko5 s ASN 75 Cb -0.10 -0.76 0.88 0.00 -2.00 0.00 0.00 41.25 39.27 3ko5 s ASN 75 CO 0.01 -1.16 1.88 1.62 -2.94 0.00 0.00 177.10 176.51 3ko5 h VAL 76 N 0.09 0.82 -0.16 3.54 3.04 -1.74 -2.03 116.25 119.81 3ko5 h VAL 76 Ca -0.41 -0.21 -0.18 0.00 -1.01 0.00 0.00 66.70 64.88 3ko5 h VAL 76 Cb 1.29 0.15 0.01 0.00 -2.01 0.00 0.00 31.29 30.73 3ko5 h VAL 76 CO 0.50 0.11 -0.62 0.11 -1.01 0.00 0.00 177.57 176.67 3ko5 h LYS 77 N 0.62 0.70 -0.65 4.17 1.57 -1.85 -0.08 116.57 121.04 3ko5 h LYS 77 Ca 0.43 -0.54 0.17 0.00 -1.87 0.00 0.00 60.65 58.84 3ko5 h LYS 77 Cb 0.75 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 3ko5 h LYS 77 CO -0.18 1.16 0.45 -0.44 -0.57 0.00 0.00 179.45 179.87 3ko5 h ASP 78 N 0.39 0.10 -0.44 0.86 3.32 -1.69 -1.95 116.42 117.01 3ko5 h ASP 78 Ca -0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3ko5 h ASP 78 Cb 1.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3ko5 h ASP 78 CO 0.13 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.88 3ko5 n LEU 79 N -4.39 3.19 -3.35 1.55 4.77 -1.17 -4.95 117.00 112.65 3ko5 n LEU 79 Ca 0.12 -1.91 -0.24 0.00 -0.03 0.00 0.00 56.01 53.96 3ko5 n LEU 79 Cb 0.64 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3ko5 n LEU 79 CO 0.36 0.78 0.05 0.59 -1.33 0.00 0.00 177.39 177.84 3ko5 n ASN 80 N 0.91 -5.39 -4.79 -1.43 5.03 -0.73 -4.99 115.26 103.87 3ko5 n ASN 80 Ca 0.15 -0.44 -0.24 0.00 0.87 0.00 0.00 54.58 54.93 3ko5 n ASN 80 Cb 0.48 -4.34 0.08 0.00 -1.02 0.00 0.00 39.78 34.98 3ko5 n ASN 80 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3ko5 s TYR 81 N -3.16 2.31 0.31 3.10 2.02 -0.05 -5.04 117.35 116.83 3ko5 s TYR 81 Ca 0.44 0.04 0.08 0.00 -0.37 0.00 0.00 57.07 57.26 3ko5 s TYR 81 Cb -0.21 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.24 3ko5 s TYR 81 CO 0.54 -1.47 0.15 -1.21 -1.57 0.00 0.00 175.55 171.99 3ko5 s GLU 82 N -5.12 2.52 -0.06 -0.62 2.02 -0.75 -4.74 118.70 111.95 3ko5 s GLU 82 Ca 0.63 -1.38 0.03 0.00 0.02 0.00 0.00 54.97 54.26 3ko5 s GLU 82 Cb -0.08 -2.30 0.01 0.00 0.10 0.00 0.00 34.13 31.86 3ko5 s GLU 82 CO 0.43 0.22 -0.14 -0.51 0.02 0.00 0.00 175.26 175.29 3ko5 s LEU 83 N -3.83 1.72 -0.33 1.80 1.02 0.06 -1.10 118.68 118.02 3ko5 s LEU 83 Ca 0.36 -0.32 -0.08 0.00 0.02 0.00 0.00 54.13 54.11 3ko5 s LEU 83 Cb -0.05 -0.87 0.02 0.00 0.02 0.00 0.00 46.19 45.31 3ko5 s LEU 83 CO 0.23 0.06 0.13 -0.22 0.02 0.00 0.00 176.35 176.57 3ko5 s LEU 84 N 0.53 4.28 -0.26 1.79 2.96 0.16 0.11 118.68 128.26 3ko5 s LEU 84 Ca -0.13 -0.92 -0.08 0.00 -0.22 0.00 0.00 54.13 52.79 3ko5 s LEU 84 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3ko5 s LEU 84 CO 0.04 -0.29 0.09 -0.63 -1.32 0.00 0.00 176.35 174.23 3ko5 s ILE 85 N 1.49 4.40 -0.11 6.68 -1.09 0.67 -0.78 121.20 132.47 3ko5 s ILE 85 Ca 0.01 -0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.25 3ko5 s ILE 85 Cb -0.18 -3.09 0.01 0.00 -1.58 0.00 0.00 42.46 37.61 3ko5 s ILE 85 CO 0.04 0.29 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.14 3ko5 s VAL 86 N 1.62 1.85 0.13 2.92 1.01 0.03 -3.91 120.40 124.06 3ko5 s VAL 86 Ca 0.06 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 3ko5 s VAL 86 Cb -0.15 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 3ko5 s VAL 86 CO 0.04 0.51 1.33 -0.55 0.00 0.00 0.00 175.10 176.43 3ko5 s SER 87 N 0.62 6.90 -0.39 3.32 0.15 -1.26 -0.25 113.70 122.79 3ko5 s SER 87 Ca -0.13 2.29 0.02 0.00 0.70 0.00 0.00 55.95 58.84 3ko5 s SER 87 Cb -0.16 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.71 3ko5 s SER 87 CO 0.03 -0.58 0.28 -1.58 1.20 0.00 0.00 173.24 172.60 3ko5 s GLN 88 N 0.71 0.78 0.57 5.44 2.00 0.25 -4.81 119.66 124.60 3ko5 s GLN 88 Ca 0.61 -1.76 0.32 0.00 -2.00 0.00 0.00 55.36 52.53 3ko5 s GLN 88 Cb -0.35 -1.43 1.72 0.00 0.80 0.00 0.00 33.01 33.75 3ko5 s GLN 88 CO 0.32 -1.30 2.16 0.27 -0.50 0.00 0.00 175.29 176.25 3ko5 h PHE 89 N 6.32 0.00 0.00 1.67 -5.15 -1.95 -2.79 116.94 115.03 3ko5 h PHE 89 Ca 0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 3ko5 h PHE 89 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.11 3ko5 h PHE 89 CO 0.36 0.06 0.00 1.79 -2.00 0.00 0.00 178.31 178.52 3ko5 h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.94 -1.15 112.91 112.06 3ko5 h THR 90 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3ko5 h THR 90 Cb 0.22 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3ko5 h THR 90 CO 0.01 0.00 0.00 -0.07 -0.25 0.00 0.00 175.52 175.21 3ko5 h LEU 91 N 0.00 0.00 -3.34 3.87 3.38 -1.88 -0.30 115.31 117.04 3ko5 h LEU 91 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ko5 h LEU 91 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ko5 h LEU 91 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 3ko5 n PHE 92 N -2.84 1.61 -1.93 1.13 3.72 -0.43 -4.93 117.46 113.79 3ko5 n PHE 92 Ca -0.01 -0.71 -0.43 0.00 -0.05 0.00 0.00 57.45 56.26 3ko5 n PHE 92 Cb 0.19 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.33 3ko5 n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ko5 s GLY 93 N -1.06 0.78 -0.14 1.37 0.00 -0.12 -4.42 107.32 103.72 3ko5 s GLY 93 Ca 0.50 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 45.32 3ko5 s GLY 93 CO 0.17 3.36 1.00 0.21 0.00 0.00 0.00 173.10 177.84 3ko5 s ASN 94 N 6.36 7.18 -0.09 1.64 3.84 0.28 -4.77 114.94 129.37 3ko5 s ASN 94 Ca 0.83 1.45 0.13 0.00 0.21 0.00 0.00 52.86 55.49 3ko5 s ASN 94 Cb -0.25 -2.54 0.20 0.00 -0.55 0.00 0.00 41.25 38.11 3ko5 s ASN 94 CO 0.34 -0.50 1.09 0.35 -2.79 0.00 0.00 177.10 175.59 3ko5 n THR 95 N 4.77 1.41 0.19 -5.21 -2.24 -1.26 -0.88 114.28 111.06 3ko5 n THR 95 Ca 0.09 -1.67 0.08 0.00 -2.27 0.00 0.00 64.05 60.28 3ko5 n THR 95 Cb 0.48 0.01 0.11 0.00 -2.10 0.00 0.00 70.33 68.83 3ko5 n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ko5 h LYS 96 N 0.00 0.00 -3.69 -0.78 1.57 -1.95 -3.40 116.57 108.31 3ko5 h LYS 96 Ca 0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 3ko5 h LYS 96 Cb 1.00 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.94 3ko5 h LYS 96 CO 0.00 0.21 -0.48 0.21 -0.57 0.00 0.00 179.45 178.82 3ko5 s LYS 97 N -3.11 2.28 0.88 3.15 2.47 -1.26 -5.04 119.74 119.11 3ko5 s LYS 97 Ca 0.06 -2.44 0.00 0.00 -1.56 0.00 0.00 55.97 52.02 3ko5 s LYS 97 Cb 0.06 -3.57 0.00 0.00 -1.46 0.00 0.00 37.83 32.86 3ko5 s LYS 97 CO 0.70 -1.13 0.00 0.41 0.16 0.00 0.00 175.35 175.49 3ko5 n GLY 98 N 3.54 -1.94 0.76 5.54 0.00 -1.26 -4.59 105.19 107.24 3ko5 n GLY 98 Ca 0.06 -1.36 0.08 0.00 0.00 0.00 0.00 46.02 44.79 3ko5 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ko5 n ASN 99 N -0.52 2.86 -4.51 1.61 3.02 -1.26 -4.79 115.26 111.66 3ko5 n ASN 99 Ca 0.00 -1.85 -0.41 0.00 -0.03 0.00 0.00 54.58 52.29 3ko5 n ASN 99 Cb 0.05 -0.19 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 3ko5 n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko5 s LYS 100 N -1.10 3.36 0.50 3.52 2.20 -1.26 -5.07 119.74 121.89 3ko5 s LYS 100 Ca 0.26 -0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 54.93 3ko5 s LYS 100 Cb 0.15 -3.86 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 3ko5 s LYS 100 CO 0.20 -0.55 1.28 -2.14 -0.36 0.00 0.00 175.35 173.79 3ko5 s PRO 101 N 1.77 3.45 -0.17 4.03 0.02 -1.26 -4.89 135.00 137.94 3ko5 s PRO 101 Ca 0.07 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.14 3ko5 s PRO 101 Cb -0.18 -2.36 -0.00 0.00 0.02 0.00 0.00 34.50 31.98 3ko5 s PRO 101 CO 0.11 -0.89 -0.13 0.34 -0.33 0.00 0.00 177.00 176.10 3ko5 s ASP 102 N -1.08 3.76 -0.07 2.53 2.15 -0.05 -4.87 116.67 119.03 3ko5 s ASP 102 Ca 0.67 -0.47 0.14 0.00 0.43 0.00 0.00 52.55 53.32 3ko5 s ASP 102 Cb -0.36 -1.60 0.44 0.00 -0.30 0.00 0.00 42.92 41.10 3ko5 s ASP 102 CO 0.43 0.05 1.36 0.49 -0.17 0.00 0.00 175.17 177.33 3ko5 n PHE 103 N 4.27 0.75 0.03 -5.34 3.72 -1.26 0.10 117.46 119.73 3ko5 n PHE 103 Ca -0.19 -0.64 0.20 0.00 -0.05 0.00 0.00 57.45 56.77 3ko5 n PHE 103 Cb 0.51 -0.15 0.71 0.00 -0.94 0.00 0.00 39.48 39.62 3ko5 n PHE 103 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 3ko5 h HIS 104 N 2.24 0.00 0.00 1.38 2.07 -1.96 -0.29 115.15 118.60 3ko5 h HIS 104 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3ko5 h HIS 104 Cb 1.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.04 3ko5 h HIS 104 CO 0.39 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.53 3ko5 n LEU 105 N -4.25 0.00 -4.75 6.12 4.77 -1.26 -4.77 117.00 112.87 3ko5 n LEU 105 Ca 0.09 0.22 -0.40 0.00 -0.03 0.00 0.00 56.01 55.89 3ko5 n LEU 105 Cb 0.59 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 3ko5 n LEU 105 CO 0.35 -0.02 0.45 0.00 -1.33 0.00 0.00 177.39 176.84 3ko5 s ALA 106 N -2.44 3.39 0.19 -1.18 0.00 -0.12 -2.11 121.76 119.48 3ko5 s ALA 106 Ca 0.30 0.26 -0.32 0.00 0.00 0.00 0.00 51.96 52.20 3ko5 s ALA 106 Cb 0.19 -2.97 -0.15 0.00 0.00 0.00 0.00 23.12 20.19 3ko5 s ALA 106 CO 0.40 0.09 1.28 1.17 0.00 0.00 0.00 175.76 178.70 3ko5 n LYS 107 N 2.71 1.52 -1.68 0.00 4.81 -0.58 -4.59 118.16 120.35 3ko5 n LYS 107 Ca -0.03 0.54 -0.43 0.00 -0.87 0.00 0.00 58.31 57.52 3ko5 n LYS 107 Cb 0.50 -2.12 -0.01 0.00 0.02 0.00 0.00 35.03 33.42 3ko5 n LYS 107 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3ko5 n GLU 108 N 1.98 2.04 -0.35 1.64 0.00 -1.26 -4.57 120.64 120.12 3ko5 n GLU 108 Ca 0.14 0.72 0.02 0.00 0.00 0.00 0.00 57.16 58.04 3ko5 n GLU 108 Cb 0.27 -2.28 0.08 0.00 0.00 0.00 0.00 31.44 29.50 3ko5 n GLU 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3ko5 n PRO 109 N 0.73 -0.16 -0.13 5.31 -0.02 -1.26 -0.45 135.00 139.02 3ko5 n PRO 109 Ca 0.06 1.44 -0.09 0.00 -2.02 0.00 0.00 63.50 62.89 3ko5 n PRO 109 Cb 0.35 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 3ko5 n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ko5 h ASN 110 N 0.00 0.54 0.16 2.55 2.35 -2.00 0.18 115.58 119.35 3ko5 h ASN 110 Ca 0.38 -0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.82 3ko5 h ASN 110 Cb 0.61 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3ko5 h ASN 110 CO -0.94 0.57 -0.47 -0.33 -1.65 0.00 0.00 177.43 174.62 3ko5 h GLU 111 N 0.47 0.37 -0.67 0.81 5.08 -1.83 -3.08 114.58 115.74 3ko5 h GLU 111 Ca 0.13 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3ko5 h GLU 111 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3ko5 h GLU 111 CO -0.01 0.77 0.09 0.00 -1.00 0.00 0.00 179.01 178.86 3ko5 h ALA 112 N 1.20 0.90 -0.28 3.43 0.00 -0.19 -2.58 119.26 121.74 3ko5 h ALA 112 Ca 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3ko5 h ALA 112 Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ko5 h ALA 112 CO 0.08 0.67 0.03 1.25 0.00 0.00 0.00 179.25 181.28 3ko5 h LEU 113 N 1.03 0.46 -0.72 0.00 5.85 -0.64 0.18 115.31 121.48 3ko5 h LEU 113 Ca 0.20 -0.28 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 3ko5 h LEU 113 Cb 0.46 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3ko5 h LEU 113 CO 0.02 0.63 0.13 -0.29 -0.34 0.00 0.00 178.44 178.58 3ko5 h ILE 114 N 0.29 1.26 -0.41 4.05 6.09 -1.58 -0.57 117.51 126.63 3ko5 h ILE 114 Ca 0.08 -1.01 -0.06 0.00 -1.37 0.00 0.00 64.86 62.50 3ko5 h ILE 114 Cb 0.37 0.60 -0.02 0.00 0.47 0.00 0.00 36.82 38.25 3ko5 h ILE 114 CO 0.01 0.38 0.04 0.15 -3.07 0.00 0.00 178.15 175.66 3ko5 h PHE 115 N 1.04 0.76 -0.19 2.19 3.57 -1.32 -1.74 116.94 121.26 3ko5 h PHE 115 Ca 0.21 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3ko5 h PHE 115 Cb 0.42 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 3ko5 h PHE 115 CO 0.03 0.75 0.00 -0.92 -2.23 0.00 0.00 178.31 175.94 3ko5 h TYR 116 N 0.55 -0.00 -0.36 0.41 3.20 -0.47 -1.31 116.97 118.99 3ko5 h TYR 116 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3ko5 h TYR 116 Cb 0.42 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3ko5 h TYR 116 CO 0.03 -0.02 0.03 -0.91 -1.64 0.00 0.00 178.16 175.64 3ko5 h ASN 117 N 0.06 0.51 -0.61 -2.11 2.35 -0.99 -0.01 115.58 114.78 3ko5 h ASN 117 Ca 0.09 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3ko5 h ASN 117 Cb 0.11 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3ko5 h ASN 117 CO -0.14 0.56 0.30 0.11 -1.65 0.00 0.00 177.43 176.60 3ko5 h LYS 118 N 0.52 0.88 -0.42 0.81 1.57 -1.12 -1.14 116.57 117.67 3ko5 h LYS 118 Ca 0.12 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3ko5 h LYS 118 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3ko5 h LYS 118 CO 0.01 0.71 0.22 0.82 -0.57 0.00 0.00 179.45 180.63 3ko5 h ILE 119 N 0.84 1.17 -0.40 1.86 2.04 -0.29 -1.58 117.51 121.15 3ko5 h ILE 119 Ca 0.21 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3ko5 h ILE 119 Cb 0.11 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3ko5 h ILE 119 CO -0.03 0.18 0.23 0.40 0.00 0.00 0.00 178.15 178.93 3ko5 h ILE 120 N 0.55 1.14 -0.65 -0.67 1.08 -0.92 -0.98 117.51 117.06 3ko5 h ILE 120 Ca 0.15 -0.35 0.07 0.00 -0.39 0.00 0.00 64.86 64.33 3ko5 h ILE 120 Cb 0.09 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 3ko5 h ILE 120 CO -0.02 0.15 0.35 0.44 -0.69 0.00 0.00 178.15 178.37 3ko5 h ASP 121 N 0.52 0.49 -0.10 1.72 3.32 -1.07 -2.02 116.42 119.29 3ko5 h ASP 121 Ca 0.14 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3ko5 h ASP 121 Cb 0.04 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3ko5 h ASP 121 CO -0.02 0.31 -0.26 -0.08 -1.72 0.00 0.00 179.24 177.47 3ko5 h GLU 122 N 0.63 0.54 -0.24 3.56 4.57 -0.96 -1.26 114.58 121.42 3ko5 h GLU 122 Ca 0.30 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3ko5 h GLU 122 Cb 0.23 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3ko5 h GLU 122 CO -0.20 0.75 0.12 0.74 -1.18 0.00 0.00 179.01 179.24 3ko5 h PHE 123 N 0.48 0.21 -0.48 0.92 0.04 -0.74 -0.14 116.94 117.22 3ko5 h PHE 123 Ca 0.07 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 3ko5 h PHE 123 Cb 0.70 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 3ko5 h PHE 123 CO 0.03 0.12 0.10 0.87 -0.60 0.00 0.00 178.31 178.83 3ko5 h LYS 124 N 0.25 0.78 -0.46 1.51 1.57 -1.20 -0.06 116.57 118.97 3ko5 h LYS 124 Ca 0.10 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3ko5 h LYS 124 Cb 0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3ko5 h LYS 124 CO -0.07 0.77 0.27 -0.22 -0.57 0.00 0.00 179.45 179.63 3ko5 h LYS 125 N 0.66 0.53 0.00 3.15 3.64 -1.14 -2.91 116.57 120.50 3ko5 h LYS 125 Ca 0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3ko5 h LYS 125 Cb 0.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3ko5 h LYS 125 CO 0.00 0.35 0.00 1.96 -2.27 0.00 0.00 179.45 179.49 3ko5 h GLN 126 N 0.54 0.00 0.00 1.90 4.20 -0.80 -3.45 115.11 117.50 3ko5 h GLN 126 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3ko5 h GLN 126 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3ko5 h GLN 126 CO -0.09 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.05 3ko5 n TYR 127 N -3.06 0.00 -3.75 2.96 9.36 -0.05 -5.08 117.16 117.54 3ko5 n TYR 127 Ca 0.04 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.13 3ko5 n TYR 127 Cb 0.49 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.10 3ko5 n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3ko5 s ASN 128 N 1.00 -0.36 0.20 2.98 3.84 -1.11 -4.94 114.94 116.56 3ko5 s ASN 128 Ca 0.00 0.68 -0.15 0.00 0.21 0.00 0.00 52.86 53.60 3ko5 s ASN 128 Cb 0.00 0.70 0.21 0.00 -0.55 0.00 0.00 41.25 41.60 3ko5 s ASN 128 CO 0.00 -0.13 1.61 -0.78 -2.79 0.00 0.00 177.10 175.02 3ko5 h ASP 129 N 5.55 -0.74 0.34 -4.21 3.58 -1.90 -1.23 116.42 117.80 3ko5 h ASP 129 Ca -0.26 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.38 3ko5 h ASP 129 Cb 1.19 0.44 0.00 0.00 1.72 0.00 0.00 39.33 42.68 3ko5 h ASP 129 CO 0.29 -0.24 0.00 0.47 -2.88 0.00 0.00 179.24 176.88 3ko5 n ASP 130 N -5.44 0.00 -0.77 2.28 8.00 -1.26 -2.15 116.55 117.21 3ko5 n ASP 130 Ca 0.07 0.21 0.10 0.00 0.71 0.00 0.00 54.79 55.88 3ko5 n ASP 130 Cb 0.34 -0.35 0.08 0.00 -0.02 0.00 0.00 41.12 41.17 3ko5 n ASP 130 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ko5 n LYS 131 N -1.35 1.67 -3.89 -1.24 4.76 -0.47 -4.90 118.16 112.74 3ko5 n LYS 131 Ca 0.06 -1.65 -0.35 0.00 -2.87 0.00 0.00 58.31 53.49 3ko5 n LYS 131 Cb 0.13 -1.37 -0.14 0.00 -1.84 0.00 0.00 35.03 31.82 3ko5 n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ko5 s ILE 132 N -1.59 3.23 0.10 -0.18 -1.09 -0.91 -0.76 121.20 119.99 3ko5 s ILE 132 Ca 0.23 -0.97 0.06 0.00 -2.23 0.00 0.00 60.65 57.74 3ko5 s ILE 132 Cb 0.16 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.33 3ko5 s ILE 132 CO 0.24 0.12 -0.06 -0.54 -1.23 0.00 0.00 174.94 173.47 3ko5 s LYS 133 N 1.37 2.28 0.33 2.79 3.01 0.29 -4.99 119.74 124.82 3ko5 s LYS 133 Ca 0.00 -0.96 0.03 0.00 -1.01 0.00 0.00 55.97 54.04 3ko5 s LYS 133 Cb -0.17 -2.39 -0.04 0.00 -1.01 0.00 0.00 37.83 34.22 3ko5 s LYS 133 CO -0.02 0.52 0.14 0.96 0.51 0.00 0.00 175.35 177.46 3ko5 s ILE 134 N -1.25 0.50 0.00 2.17 -4.36 -1.26 -0.24 121.20 116.76 3ko5 s ILE 134 Ca 0.23 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 3ko5 s ILE 134 Cb -0.11 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.08 3ko5 s ILE 134 CO 0.15 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.94 3ko5 n GLY 135 N -0.66 0.90 2.62 6.27 0.00 -1.25 -4.69 105.19 108.37 3ko5 n GLY 135 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3ko5 n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ko5 s LYS 136 N 3.87 0.39 0.23 1.61 2.20 -1.26 -5.04 119.74 121.73 3ko5 s LYS 136 Ca 0.00 -0.72 -0.31 0.00 -0.36 0.00 0.00 55.97 54.58 3ko5 s LYS 136 Cb 0.00 -1.49 -0.13 0.00 -1.51 0.00 0.00 37.83 34.69 3ko5 s LYS 136 CO 0.00 -0.99 1.41 0.34 -0.36 0.00 0.00 175.35 175.75 3ko5 n PHE 137 N 5.10 2.15 -0.94 4.03 7.35 -1.26 -2.13 117.46 131.75 3ko5 n PHE 137 Ca -0.05 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 3ko5 n PHE 137 Cb 0.42 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.79 3ko5 n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ko5 n GLY 138 N 2.22 0.49 3.52 7.13 0.00 -1.26 -5.00 105.19 112.29 3ko5 n GLY 138 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3ko5 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ko5 s ASN 139 N -2.27 4.09 0.33 1.61 0.01 -0.91 -5.10 114.94 112.69 3ko5 s ASN 139 Ca 0.00 -0.49 -0.29 0.00 -0.71 0.00 0.00 52.86 51.37 3ko5 s ASN 139 Cb 0.00 -0.66 -0.11 0.00 0.41 0.00 0.00 41.25 40.89 3ko5 s ASN 139 CO 0.00 0.18 1.57 -0.47 -1.51 0.00 0.00 177.10 176.86 3ko5 s TYR 140 N -1.17 2.66 -0.01 2.20 5.04 -1.26 -4.88 117.35 119.93 3ko5 s TYR 140 Ca 0.19 0.91 0.03 0.00 -2.44 0.00 0.00 57.07 55.77 3ko5 s TYR 140 Cb -0.11 -4.08 -0.01 0.00 0.35 0.00 0.00 41.96 38.12 3ko5 s TYR 140 CO 0.12 -3.44 -0.09 -1.64 -1.34 0.00 0.00 175.55 169.15 3ko5 s MET 141 N -1.15 0.76 -0.31 4.97 -1.94 -1.26 -4.34 119.30 116.03 3ko5 s MET 141 Ca 0.59 -0.34 -0.08 0.00 -1.71 0.00 0.00 55.69 54.15 3ko5 s MET 141 Cb -0.48 -0.74 0.01 0.00 2.01 0.00 0.00 34.83 35.63 3ko5 s MET 141 CO 0.55 0.20 0.12 1.21 -0.01 0.00 0.00 175.02 177.09 3ko5 s ASN 142 N -0.24 5.37 -0.31 3.03 2.47 -0.19 -4.97 114.94 120.10 3ko5 s ASN 142 Ca 0.04 -0.69 0.02 0.00 0.42 0.00 0.00 52.86 52.64 3ko5 s ASN 142 Cb -0.04 -1.94 0.08 0.00 -1.45 0.00 0.00 41.25 37.90 3ko5 s ASN 142 CO -0.00 -0.22 0.00 -0.63 -3.72 0.00 0.00 177.10 172.53 3ko5 s ILE 143 N 1.54 2.51 -0.60 -5.21 1.01 -1.26 -0.25 121.20 118.95 3ko5 s ILE 143 Ca 0.03 -1.87 -0.28 0.00 0.00 0.00 0.00 60.65 58.53 3ko5 s ILE 143 Cb -0.17 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3ko5 s ILE 143 CO 0.04 -0.31 1.28 -1.81 0.00 0.00 0.00 174.94 174.14 3ko5 s ASP 144 N 1.16 6.30 -0.18 3.58 1.01 0.21 -4.88 116.67 123.86 3ko5 s ASP 144 Ca 0.00 0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.30 3ko5 s ASP 144 Cb -0.20 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 3ko5 s ASP 144 CO -0.05 -1.61 -0.03 -0.69 0.21 0.00 0.00 175.17 173.00 3ko5 s VAL 145 N 5.45 3.83 -0.80 -1.27 1.01 -1.26 -0.44 120.40 126.92 3ko5 s VAL 145 Ca 0.45 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 3ko5 s VAL 145 Cb -0.09 -2.71 0.15 0.00 0.00 0.00 0.00 36.38 33.74 3ko5 s VAL 145 CO 0.24 0.46 0.90 -0.89 0.00 0.00 0.00 175.10 175.80 3ko5 s THR 146 N 0.76 5.00 0.16 3.92 2.01 -0.26 -5.02 115.64 122.21 3ko5 s THR 146 Ca -0.01 -1.65 -0.31 0.00 0.31 0.00 0.00 61.69 60.04 3ko5 s THR 146 Cb -0.14 -4.61 -0.09 0.00 0.01 0.00 0.00 72.50 67.67 3ko5 s THR 146 CO 0.02 -1.26 1.40 0.20 -0.69 0.00 0.00 174.62 174.29 3ko5 s ASN 147 N 3.20 6.78 -0.64 3.53 0.01 -1.26 -1.42 114.94 125.13 3ko5 s ASN 147 Ca 0.22 2.43 -0.08 0.00 -0.71 0.00 0.00 52.86 54.73 3ko5 s ASN 147 Cb -0.12 -2.60 0.17 0.00 0.41 0.00 0.00 41.25 39.11 3ko5 s ASN 147 CO -0.04 -0.66 0.51 -0.62 -1.51 0.00 0.00 177.10 174.78 3ko5 s ASP 148 N 0.84 5.80 0.00 -1.22 2.15 0.47 -4.68 116.67 120.03 3ko5 s ASP 148 Ca 0.63 -2.55 0.00 0.00 0.43 0.00 0.00 52.55 51.06 3ko5 s ASP 148 Cb -0.38 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3ko5 s ASP 148 CO 0.34 -0.52 0.00 0.61 -0.17 0.00 0.00 175.17 175.43 3ko5 n GLY 149 N 4.01 2.47 3.80 2.66 0.00 -1.26 -3.26 105.19 113.62 3ko5 n GLY 149 Ca 0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 3ko5 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko5 s PRO 150 N 0.00 1.92 -0.19 1.61 0.04 -1.26 -5.16 135.00 131.96 3ko5 s PRO 150 Ca 0.00 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.59 3ko5 s PRO 150 Cb 0.00 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.68 3ko5 s PRO 150 CO 0.00 -1.71 -0.03 0.08 0.04 0.00 0.00 177.00 175.38 3ko5 s VAL 151 N -3.19 1.03 -0.18 -0.36 1.01 -1.20 -5.04 120.40 112.46 3ko5 s VAL 151 Ca 0.61 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3ko5 s VAL 151 Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.91 3ko5 s VAL 151 CO 0.54 -0.03 -0.13 -0.89 0.00 0.00 0.00 175.10 174.59 3ko5 s THR 152 N 1.64 2.76 -0.09 3.92 2.01 -1.26 -1.92 115.64 122.70 3ko5 s THR 152 Ca -0.01 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.28 3ko5 s THR 152 Cb -0.17 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 3ko5 s THR 152 CO -0.07 0.50 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.59 3ko5 s ILE 153 N 1.07 3.07 -0.11 1.82 -1.09 0.34 -4.97 121.20 121.33 3ko5 s ILE 153 Ca -0.00 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 57.76 3ko5 s ILE 153 Cb -0.15 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 3ko5 s ILE 153 CO -0.03 0.56 -0.23 -0.47 -1.23 0.00 0.00 174.94 173.53 3ko5 s TYR 154 N -0.19 2.59 -0.06 3.97 5.04 -1.26 -0.38 117.35 127.06 3ko5 s TYR 154 Ca 0.00 -1.11 0.02 0.00 -2.44 0.00 0.00 57.07 53.55 3ko5 s TYR 154 Cb -0.13 -1.74 0.01 0.00 0.35 0.00 0.00 41.96 40.45 3ko5 s TYR 154 CO 0.03 -0.46 -0.12 0.42 -1.34 0.00 0.00 175.55 174.09 3ko5 s ILE 155 N 0.45 1.08 -0.20 3.14 1.01 -0.22 -5.01 121.20 121.45 3ko5 s ILE 155 Ca -0.16 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3ko5 s ILE 155 Cb -0.17 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.33 3ko5 s ILE 155 CO 0.06 0.34 -0.17 -0.62 0.00 0.00 0.00 174.94 174.55 3ko5 s ASP 156 N 0.68 3.45 0.14 3.58 -1.08 -1.26 -0.51 116.67 121.66 3ko5 s ASP 156 Ca -0.14 -0.84 0.22 0.00 -0.52 0.00 0.00 52.55 51.27 3ko5 s ASP 156 Cb -0.16 -1.48 0.87 0.00 -1.46 0.00 0.00 42.92 40.69 3ko5 s ASP 156 CO 0.03 -0.05 1.67 0.35 0.52 0.00 0.00 175.17 177.70 3ko5 n THR 157 N 4.58 0.74 0.19 1.71 -2.24 0.36 -2.29 114.28 117.33 3ko5 n THR 157 Ca -0.19 0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.75 3ko5 n THR 157 Cb 0.48 -0.93 0.38 0.00 -2.10 0.00 0.00 70.33 68.16 3ko5 n THR 157 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3ko5 h HIS 158 N 0.00 0.00 0.00 4.78 6.17 -1.96 -1.74 115.15 122.41 3ko5 h HIS 158 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 3ko5 h HIS 158 Cb 0.41 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 3ko5 h HIS 158 CO 0.00 0.36 -0.05 -0.44 0.71 0.00 0.00 177.93 178.51 3ko5 h ASP 159 N 0.00 0.00 -2.84 3.26 3.32 -1.85 -3.42 116.42 114.89 3ko5 h ASP 159 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 3ko5 h ASP 159 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3ko5 h ASP 159 CO 0.05 0.05 -0.28 -0.63 -1.72 0.00 0.00 179.24 176.71 3ko5 s ILE 160 N -3.96 5.16 -2.82 0.35 -1.09 -0.65 -5.14 121.20 113.05 3ko5 s ILE 160 Ca -0.02 -0.37 0.25 0.00 -2.23 0.00 0.00 60.65 58.29 3ko5 s ILE 160 Cb 0.11 -3.77 0.32 0.00 -1.58 0.00 0.00 42.46 37.54 3ko5 s ILE 160 CO 0.53 -0.29 1.44 0.59 -1.23 0.00 0.00 174.94 175.97