#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ko7 s ARG 2 N 0.00 1.29 -0.12 3.17 0.52 0.32 -1.10 118.95 123.02 3ko7 s ARG 2 Ca 0.00 -1.07 -0.10 0.00 -0.52 0.00 0.00 55.73 54.04 3ko7 s ARG 2 Cb 0.00 -1.50 0.04 0.00 0.52 0.00 0.00 34.95 34.00 3ko7 s ARG 2 CO 0.00 0.37 0.32 0.54 0.02 0.00 0.00 175.30 176.54 3ko7 s VAL 3 N -0.98 -0.01 -0.24 3.52 0.11 -0.62 -0.01 120.40 122.17 3ko7 s VAL 3 Ca 0.08 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 3ko7 s VAL 3 Cb -0.09 -0.46 0.02 0.00 -1.53 0.00 0.00 36.38 34.32 3ko7 s VAL 3 CO 0.03 0.02 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.06 3ko7 s VAL 4 N 0.56 2.91 -0.16 2.04 1.01 -0.80 -2.24 120.40 123.72 3ko7 s VAL 4 Ca -0.03 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 3ko7 s VAL 4 Cb -0.05 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3ko7 s VAL 4 CO -0.03 0.24 0.06 -0.63 0.00 0.00 0.00 175.10 174.74 3ko7 s ILE 5 N 1.34 4.81 -0.04 2.22 1.01 -0.13 -1.29 121.20 129.12 3ko7 s ILE 5 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3ko7 s ILE 5 Cb -0.16 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3ko7 s ILE 5 CO -0.05 0.51 -0.13 -1.10 0.00 0.00 0.00 174.94 174.17 3ko7 s GLN 6 N -0.04 1.52 -0.03 2.79 -0.21 -0.52 -1.26 119.66 121.90 3ko7 s GLN 6 Ca 0.06 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 54.68 3ko7 s GLN 6 Cb -0.12 -1.32 -0.03 0.00 1.00 0.00 0.00 33.01 32.54 3ko7 s GLN 6 CO 0.01 0.15 1.06 0.50 -2.12 0.00 0.00 175.29 174.89 3ko7 s ARG 7 N 0.25 4.46 0.14 2.91 3.52 -0.85 -1.94 118.95 127.44 3ko7 s ARG 7 Ca -0.06 1.51 0.10 0.00 -0.13 0.00 0.00 55.73 57.15 3ko7 s ARG 7 Cb -0.12 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3ko7 s ARG 7 CO 0.02 -0.24 -0.23 0.14 -0.81 0.00 0.00 175.30 174.18 3ko7 s VAL 8 N 1.54 2.06 -1.25 7.11 -7.23 0.10 -0.82 120.40 121.90 3ko7 s VAL 8 Ca 0.53 -1.78 0.26 0.00 -1.81 0.00 0.00 61.98 59.17 3ko7 s VAL 8 Cb -0.22 -1.88 0.13 0.00 0.56 0.00 0.00 36.38 34.97 3ko7 s VAL 8 CO 0.24 -0.06 1.53 0.29 -0.31 0.00 0.00 175.10 176.79 3ko7 n LYS 9 N 0.72 0.28 0.00 4.82 5.02 0.47 -2.11 118.16 127.36 3ko7 n LYS 9 Ca -0.16 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 3ko7 n LYS 9 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3ko7 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ko7 n GLY 10 N 1.44 2.80 3.56 0.72 0.00 -1.19 -2.89 105.19 109.63 3ko7 n GLY 10 Ca 0.08 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 3ko7 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ko7 s ALA 11 N -2.00 -1.69 -0.17 4.61 0.00 -0.72 -0.39 121.76 121.39 3ko7 s ALA 11 Ca 0.00 2.19 0.01 0.00 0.00 0.00 0.00 51.96 54.16 3ko7 s ALA 11 Cb 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 23.12 21.84 3ko7 s ALA 11 CO 0.00 -0.35 -0.19 0.42 0.00 0.00 0.00 175.76 175.64 3ko7 s ILE 12 N 1.43 2.19 -0.22 0.00 1.01 0.24 -2.00 121.20 123.85 3ko7 s ILE 12 Ca -0.09 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.60 3ko7 s ILE 12 Cb -0.06 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3ko7 s ILE 12 CO -0.16 0.53 0.02 -0.22 0.00 0.00 0.00 174.94 175.11 3ko7 s LEU 13 N 1.18 3.31 0.14 2.97 0.20 0.09 -0.23 118.68 126.34 3ko7 s LEU 13 Ca 0.02 -0.21 0.10 0.00 0.69 0.00 0.00 54.13 54.73 3ko7 s LEU 13 Cb -0.14 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.73 3ko7 s LEU 13 CO -0.09 0.03 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.37 3ko7 s SER 14 N 1.23 3.80 0.42 3.68 0.01 0.18 -0.69 113.70 122.31 3ko7 s SER 14 Ca 0.04 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 56.72 3ko7 s SER 14 Cb -0.15 -0.48 -0.07 0.00 0.21 0.00 0.00 66.02 65.54 3ko7 s SER 14 CO 0.02 0.15 0.09 0.68 0.41 0.00 0.00 173.24 174.59 3ko7 s VAL 15 N -1.33 2.10 -0.13 3.43 -7.23 0.26 -0.76 120.40 116.75 3ko7 s VAL 15 Ca 0.19 -1.87 -0.27 0.00 -1.81 0.00 0.00 61.98 58.23 3ko7 s VAL 15 Cb -0.10 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 3ko7 s VAL 15 CO 0.10 0.00 0.90 -0.13 -0.31 0.00 0.00 175.10 175.66 3ko7 s ARG 16 N -3.80 4.37 0.06 4.82 0.52 -1.26 0.76 118.95 124.42 3ko7 s ARG 16 Ca 0.37 1.17 -0.23 0.00 -0.52 0.00 0.00 55.73 56.52 3ko7 s ARG 16 Cb 0.07 -3.55 -0.14 0.00 0.52 0.00 0.00 34.95 31.85 3ko7 s ARG 16 CO 0.20 -0.28 1.55 1.57 0.02 0.00 0.00 175.30 178.36 3ko7 h LYS 17 N 7.17 0.13 -6.23 3.54 5.09 -2.00 -3.46 116.57 120.81 3ko7 h LYS 17 Ca -0.31 -0.03 -0.57 0.00 0.09 0.00 0.00 60.65 59.83 3ko7 h LYS 17 Cb 1.15 -0.02 -0.04 0.00 0.10 0.00 0.00 32.23 33.42 3ko7 h LYS 17 CO 0.84 0.31 -0.24 -0.51 -2.09 0.00 0.00 179.45 177.75 3ko7 s LEU 27 N -9.74 4.26 -0.17 7.07 1.43 -1.26 -5.30 118.68 114.97 3ko7 s LEU 27 Ca -0.14 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3ko7 s LEU 27 Cb 0.05 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.96 3ko7 s LEU 27 CO 0.69 0.05 -0.17 -0.70 0.23 0.00 0.00 176.35 176.45 3ko7 s GLU 28 N -2.50 2.60 0.23 1.70 2.12 0.23 -4.90 118.70 118.17 3ko7 s GLU 28 Ca 0.41 -0.70 -0.31 0.00 0.36 0.00 0.00 54.97 54.73 3ko7 s GLU 28 Cb -0.12 -2.33 -0.11 0.00 0.26 0.00 0.00 34.13 31.83 3ko7 s GLU 28 CO 0.22 -0.23 1.55 0.42 -0.54 0.00 0.00 175.26 176.68 3ko7 s ILE 29 N 1.39 2.43 0.00 -3.70 1.01 -1.26 -0.57 121.20 120.50 3ko7 s ILE 29 Ca 0.05 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.03 3ko7 s ILE 29 Cb -0.13 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.12 3ko7 s ILE 29 CO -0.12 0.04 0.00 2.30 0.00 0.00 0.00 174.94 177.16 3ko7 n ILE 30 N 3.06 0.00 -3.95 2.92 -5.35 0.13 -4.90 119.36 111.27 3ko7 n ILE 30 Ca 0.11 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.46 3ko7 n ILE 30 Cb 0.38 -0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.14 3ko7 n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3ko7 s SER 31 N -2.19 0.18 -0.01 7.28 0.01 -1.09 -5.01 113.70 112.87 3ko7 s SER 31 Ca 0.00 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.19 3ko7 s SER 31 Cb 0.00 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.23 3ko7 s SER 31 CO 0.00 -0.02 -0.02 -1.61 0.41 0.00 0.00 173.24 172.01 3ko7 s GLU 32 N -0.19 0.23 0.06 12.44 2.02 -1.26 -0.73 118.70 131.26 3ko7 s GLU 32 Ca -0.01 -0.04 0.04 0.00 0.02 0.00 0.00 54.97 54.98 3ko7 s GLU 32 Cb -0.02 -0.28 -0.03 0.00 0.10 0.00 0.00 34.13 33.91 3ko7 s GLU 32 CO -0.00 -0.00 -0.13 0.96 0.02 0.00 0.00 175.26 176.11 3ko7 s ILE 33 N 0.27 0.97 0.00 -1.63 -4.36 -0.85 -4.99 121.20 110.61 3ko7 s ILE 33 Ca -0.02 -1.20 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3ko7 s ILE 33 Cb -0.05 -0.95 0.00 0.00 1.25 0.00 0.00 42.46 42.71 3ko7 s ILE 33 CO -0.01 -0.22 0.00 0.29 0.24 0.00 0.00 174.94 175.24 3ko7 n LYS 34 N 1.43 2.01 -1.71 0.37 4.76 -1.26 -1.75 118.16 122.00 3ko7 n LYS 34 Ca -0.21 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.83 3ko7 n LYS 34 Cb 0.54 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.76 3ko7 n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ko7 n ASN 35 N 0.00 2.55 0.00 4.39 3.02 -1.14 -3.18 115.26 120.90 3ko7 n ASN 35 Ca 0.00 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3ko7 n ASN 35 Cb 0.00 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 3ko7 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ko7 n GLY 36 N 0.80 -0.05 3.25 7.41 0.00 -0.90 -2.28 105.19 113.43 3ko7 n GLY 36 Ca 0.08 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 3ko7 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ko7 s LEU 37 N 0.00 2.06 -0.19 0.99 1.43 -0.29 -0.72 118.68 121.96 3ko7 s LEU 37 Ca 0.00 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 3ko7 s LEU 37 Cb 0.00 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 3ko7 s LEU 37 CO 0.00 0.26 0.07 -0.51 0.23 0.00 0.00 176.35 176.40 3ko7 s ILE 38 N -0.56 4.83 -0.20 -0.59 2.07 -0.82 -0.42 121.20 125.52 3ko7 s ILE 38 Ca 0.08 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 3ko7 s ILE 38 Cb -0.09 -3.19 0.04 0.00 0.13 0.00 0.00 42.46 39.35 3ko7 s ILE 38 CO -0.00 0.44 -0.12 0.00 -1.91 0.00 0.00 174.94 173.34 3ko7 s PHE 40 N 1.34 3.17 -0.40 0.00 0.08 -0.41 -0.44 117.98 121.31 3ko7 s PHE 40 Ca -0.01 0.51 -0.08 0.00 0.12 0.00 0.00 56.93 57.46 3ko7 s PHE 40 Cb -0.16 -3.16 0.07 0.00 -0.57 0.00 0.00 43.02 39.20 3ko7 s PHE 40 CO -0.09 -0.60 0.22 -1.17 -0.10 0.00 0.00 175.22 173.48 3ko7 s LEU 41 N 2.79 4.97 -0.31 -0.37 2.96 0.15 -1.91 118.68 126.95 3ko7 s LEU 41 Ca 0.27 -1.43 -0.20 0.00 -0.22 0.00 0.00 54.13 52.55 3ko7 s LEU 41 Cb -0.14 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 3ko7 s LEU 41 CO 0.14 -0.49 0.63 -0.83 -1.32 0.00 0.00 176.35 174.49 3ko7 s GLY 42 N 1.92 1.77 -0.34 7.98 0.00 0.99 -1.03 107.32 118.61 3ko7 s GLY 42 Ca 0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 3ko7 s GLY 42 CO 0.02 1.47 0.44 -0.42 0.00 0.00 0.00 173.10 174.61 3ko7 s ILE 43 N 2.64 5.10 0.53 0.90 1.01 -1.26 -0.52 121.20 129.59 3ko7 s ILE 43 Ca 0.25 0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.98 3ko7 s ILE 43 Cb -0.15 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 3ko7 s ILE 43 CO 0.12 -0.12 1.03 -2.28 0.00 0.00 0.00 174.94 173.70 3ko7 s HIS 44 N 2.21 3.07 0.21 3.97 5.65 -1.26 -2.19 115.29 126.94 3ko7 s HIS 44 Ca 0.16 1.54 -0.10 0.00 0.25 0.00 0.00 55.06 56.91 3ko7 s HIS 44 Cb -0.16 -3.00 0.24 0.00 -1.18 0.00 0.00 32.58 28.49 3ko7 s HIS 44 CO 0.12 -0.84 1.78 -0.22 -0.65 0.00 0.00 174.74 174.94 3ko7 h LYS 45 N 1.09 0.55 -1.02 2.88 3.64 -1.07 -2.78 116.57 119.86 3ko7 h LYS 45 Ca -0.48 -0.03 -0.48 0.00 -1.27 0.00 0.00 60.65 58.39 3ko7 h LYS 45 Cb 1.21 -0.12 -0.27 0.00 -0.41 0.00 0.00 32.23 32.64 3ko7 h LYS 45 CO 0.59 0.37 0.61 0.09 -2.27 0.00 0.00 179.45 178.83 3ko7 n ASN 46 N -4.87 4.24 -4.73 4.20 4.13 -1.26 -4.90 115.26 112.07 3ko7 n ASN 46 Ca 0.08 -3.45 -0.41 0.00 1.68 0.00 0.00 54.58 52.48 3ko7 n ASN 46 Cb 0.21 -0.83 -0.05 0.00 -1.54 0.00 0.00 39.78 37.57 3ko7 n ASN 46 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3ko7 s ASP 47 N -1.08 7.51 0.23 6.41 1.01 -1.05 -4.99 116.67 124.70 3ko7 s ASP 47 Ca 0.51 1.84 0.05 0.00 0.71 0.00 0.00 52.55 55.66 3ko7 s ASP 47 Cb 0.43 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 3ko7 s ASP 47 CO 0.08 -0.04 0.28 0.42 0.21 0.00 0.00 175.17 176.12 3ko7 s THR 48 N -0.20 4.95 0.50 -1.27 -4.23 -1.26 -4.99 115.64 109.14 3ko7 s THR 48 Ca 0.46 -1.09 0.27 0.00 -1.18 0.00 0.00 61.69 60.15 3ko7 s THR 48 Cb -0.24 -3.66 0.46 0.00 1.34 0.00 0.00 72.50 70.40 3ko7 s THR 48 CO 0.30 -0.29 1.87 -0.25 -0.54 0.00 0.00 174.62 175.71 3ko7 h TRP 49 N 1.49 0.19 -0.91 3.99 -0.00 -1.99 0.59 115.95 119.30 3ko7 h TRP 49 Ca -0.50 0.01 0.09 0.00 -0.00 0.00 0.00 58.89 58.48 3ko7 h TRP 49 Cb 1.23 -0.06 -0.07 0.00 -0.00 0.00 0.00 29.16 30.26 3ko7 h TRP 49 CO 0.50 0.04 0.56 0.93 -0.00 0.00 0.00 178.44 180.47 3ko7 h GLU 50 N 0.13 0.92 -0.26 2.65 4.39 -1.99 0.13 114.58 120.56 3ko7 h GLU 50 Ca 0.46 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 60.00 3ko7 h GLU 50 Cb 1.60 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 3ko7 h GLU 50 CO -0.07 0.61 -0.26 -0.44 -1.16 0.00 0.00 179.01 177.69 3ko7 h ASP 51 N 0.95 0.51 0.14 1.42 3.32 -0.21 -2.47 116.42 120.09 3ko7 h ASP 51 Ca 0.42 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3ko7 h ASP 51 Cb 0.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3ko7 h ASP 51 CO -0.22 0.76 -0.07 0.00 -1.72 0.00 0.00 179.24 177.99 3ko7 h ALA 52 N 1.28 -0.19 -0.97 3.45 0.00 -0.93 -3.00 119.26 118.91 3ko7 h ALA 52 Ca 0.06 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.94 3ko7 h ALA 52 Cb 0.69 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3ko7 h ALA 52 CO 0.05 -0.44 0.61 -0.07 0.00 0.00 0.00 179.25 179.41 3ko7 h LEU 53 N -0.53 0.81 -1.12 0.00 3.38 -0.69 -0.84 115.31 116.31 3ko7 h LEU 53 Ca -0.02 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3ko7 h LEU 53 Cb 0.42 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3ko7 h LEU 53 CO 0.03 0.40 0.00 0.22 0.09 0.00 0.00 178.44 179.18 3ko7 h TYR 54 N 0.85 0.64 0.08 1.13 3.20 -1.43 -1.49 116.97 119.95 3ko7 h TYR 54 Ca 0.49 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 3ko7 h TYR 54 Cb 0.64 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3ko7 h TYR 54 CO -0.00 0.61 -0.04 0.82 -1.64 0.00 0.00 178.16 177.91 3ko7 h ILE 55 N 0.58 1.19 0.46 1.81 1.08 -1.04 -2.84 117.51 118.75 3ko7 h ILE 55 Ca 0.12 -1.08 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 3ko7 h ILE 55 Cb 0.37 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 3ko7 h ILE 55 CO 0.01 0.26 -0.48 0.40 -0.69 0.00 0.00 178.15 177.65 3ko7 h ILE 56 N -0.61 0.06 -0.86 -0.67 2.04 -1.16 0.35 117.51 116.66 3ko7 h ILE 56 Ca -0.01 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.07 3ko7 h ILE 56 Cb 0.51 0.06 -0.14 0.00 -0.74 0.00 0.00 36.82 36.50 3ko7 h ILE 56 CO 0.02 0.00 0.17 -0.09 0.00 0.00 0.00 178.15 178.25 3ko7 h ARG 57 N -0.96 0.17 -0.12 2.37 2.43 -1.38 0.27 114.38 117.15 3ko7 h ARG 57 Ca -0.05 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.90 3ko7 h ARG 57 Cb 0.84 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3ko7 h ARG 57 CO -0.07 0.11 -0.78 0.87 -1.51 0.00 0.00 179.97 178.59 3ko7 h LYS 58 N 0.17 0.64 -0.41 0.20 1.79 -1.21 -0.41 116.57 117.34 3ko7 h LYS 58 Ca 0.53 -0.53 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 3ko7 h LYS 58 Cb 1.04 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 3ko7 h LYS 58 CO -0.68 1.15 0.10 0.00 -1.08 0.00 0.00 179.45 178.95 3ko7 h LEU 60 N 0.53 0.37 0.00 0.00 3.38 -0.95 -3.39 115.31 115.25 3ko7 h LEU 60 Ca 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3ko7 h LEU 60 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ko7 h LEU 60 CO 0.00 0.97 -1.25 0.59 0.09 0.00 0.00 178.44 178.84 3ko7 n ASN 61 N -3.81 1.55 -4.74 -0.43 3.02 -0.17 -3.61 115.26 107.07 3ko7 n ASN 61 Ca -0.04 -0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 53.83 3ko7 n ASN 61 Cb 0.70 1.39 -0.01 0.00 -0.61 0.00 0.00 39.78 41.25 3ko7 n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ko7 n LEU 62 N -1.73 4.22 -4.39 3.41 4.77 -0.66 -4.66 117.00 117.97 3ko7 n LEU 62 Ca -0.01 1.17 -0.45 0.00 -0.03 0.00 0.00 56.01 56.69 3ko7 n LEU 62 Cb 0.29 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.78 3ko7 n LEU 62 CO 0.27 0.01 0.61 -0.13 -1.33 0.00 0.00 177.39 176.81 3ko7 s ARG 63 N -1.03 3.41 0.00 3.23 0.52 -1.26 -4.16 118.95 119.65 3ko7 s ARG 63 Ca 0.61 -1.84 0.11 0.00 -0.52 0.00 0.00 55.73 54.09 3ko7 s ARG 63 Cb -0.52 -4.54 0.21 0.00 0.52 0.00 0.00 34.95 30.63 3ko7 s ARG 63 CO 0.54 -1.54 1.08 1.28 0.02 0.00 0.00 175.30 176.68 3ko7 n LEU 64 N 5.64 2.50 -4.41 2.53 4.77 -0.53 -3.91 117.00 123.59 3ko7 n LEU 64 Ca 0.09 -1.57 -0.28 0.00 -0.03 0.00 0.00 56.01 54.22 3ko7 n LEU 64 Cb 0.46 -0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 3ko7 n LEU 64 CO 0.48 0.58 -0.55 0.26 -1.33 0.00 0.00 177.39 176.82 3ko7 s TRP 65 N -0.97 2.33 0.21 -1.77 0.51 -0.62 -4.86 118.94 113.77 3ko7 s TRP 65 Ca 0.19 -0.36 -0.30 0.00 -2.12 0.00 0.00 56.10 53.51 3ko7 s TRP 65 Cb 0.11 -1.22 -0.08 0.00 -0.81 0.00 0.00 33.47 31.47 3ko7 s TRP 65 CO 0.15 0.40 1.04 -0.80 -0.51 0.00 0.00 176.95 177.24 3ko7 s ASN 66 N -2.30 7.39 -0.20 2.95 0.01 -1.26 -1.11 114.94 120.41 3ko7 s ASN 66 Ca 0.17 2.07 -0.00 0.00 -0.71 0.00 0.00 52.86 54.39 3ko7 s ASN 66 Cb -0.09 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.01 3ko7 s ASN 66 CO 0.08 -0.09 -0.04 0.21 -1.51 0.00 0.00 177.10 175.75 3ko7 s ASN 67 N -0.56 3.25 1.55 -1.22 3.84 -0.97 -4.85 114.94 115.98 3ko7 s ASN 67 Ca 0.46 -0.89 0.00 0.00 0.21 0.00 0.00 52.86 52.64 3ko7 s ASN 67 Cb -0.29 -0.97 0.00 0.00 -0.55 0.00 0.00 41.25 39.45 3ko7 s ASN 67 CO 0.35 -0.22 0.00 0.47 -2.79 0.00 0.00 177.10 174.91 3ko7 n ASP 68 N 4.82 0.00 -0.51 -4.21 10.43 -1.26 -1.51 116.55 124.30 3ko7 n ASP 68 Ca -0.12 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.29 3ko7 n ASP 68 Cb 0.46 0.00 0.12 0.00 1.84 0.00 0.00 41.12 43.54 3ko7 n ASP 68 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ko7 n ASN 69 N 10.44 2.67 -4.90 -2.24 3.02 -1.26 -4.96 115.26 118.03 3ko7 n ASN 69 Ca 0.00 -1.94 -0.34 0.00 -0.03 0.00 0.00 54.58 52.28 3ko7 n ASN 69 Cb 0.00 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 3ko7 n ASN 69 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3ko7 s LYS 70 N -0.98 3.47 0.20 3.52 1.02 -0.57 -5.12 119.74 121.28 3ko7 s LYS 70 Ca 0.18 -0.27 0.08 0.00 0.02 0.00 0.00 55.97 55.99 3ko7 s LYS 70 Cb 0.10 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 3ko7 s LYS 70 CO 0.13 0.67 0.01 0.95 -0.92 0.00 0.00 175.35 176.18 3ko7 s THR 71 N -1.32 3.69 -1.13 2.17 -4.23 -1.26 -2.29 115.64 111.27 3ko7 s THR 71 Ca 0.27 -1.52 -0.24 0.00 -1.18 0.00 0.00 61.69 59.02 3ko7 s THR 71 Cb -0.13 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 70.84 3ko7 s THR 71 CO 0.18 -0.17 0.74 0.79 -0.54 0.00 0.00 174.62 175.62 3ko7 n TRP 72 N -0.32 -1.78 0.00 3.99 7.02 -1.24 -4.90 117.44 120.21 3ko7 n TRP 72 Ca -0.09 0.37 0.00 0.00 -1.02 0.00 0.00 57.50 56.76 3ko7 n TRP 72 Cb 0.56 -3.19 0.00 0.00 -2.42 0.00 0.00 31.31 26.26 3ko7 n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ko7 n ASP 73 N -2.46 3.31 -4.52 -0.99 2.03 -0.27 -4.82 116.55 108.83 3ko7 n ASP 73 Ca -0.11 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.86 3ko7 n ASP 73 Cb 0.59 0.18 -0.12 0.00 -0.72 0.00 0.00 41.12 41.05 3ko7 n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ko7 s LYS 74 N -1.74 3.13 0.69 -0.67 -0.14 -0.57 -4.89 119.74 115.55 3ko7 s LYS 74 Ca 0.00 -0.57 -0.02 0.00 -1.36 0.00 0.00 55.97 54.02 3ko7 s LYS 74 Cb 0.00 -2.69 0.10 0.00 -1.68 0.00 0.00 37.83 33.56 3ko7 s LYS 74 CO 0.00 0.46 0.96 0.54 -0.76 0.00 0.00 175.35 176.55 3ko7 s ASN 75 N -0.25 4.56 0.25 2.83 2.20 -1.26 -1.46 114.94 121.81 3ko7 s ASN 75 Ca 0.03 -0.15 -0.01 0.00 -0.94 0.00 0.00 52.86 51.79 3ko7 s ASN 75 Cb -0.13 -0.37 0.30 0.00 -2.00 0.00 0.00 41.25 39.05 3ko7 s ASN 75 CO 0.03 -1.70 1.69 1.62 -2.94 0.00 0.00 177.10 175.79 3ko7 h VAL 76 N -0.45 1.26 -0.07 3.54 3.04 -1.75 -2.73 116.25 119.09 3ko7 h VAL 76 Ca -0.39 -1.25 -0.01 0.00 -1.01 0.00 0.00 66.70 64.04 3ko7 h VAL 76 Cb 1.28 1.20 -0.00 0.00 -2.01 0.00 0.00 31.29 31.76 3ko7 h VAL 76 CO 0.45 0.41 0.01 0.11 -1.01 0.00 0.00 177.57 177.55 3ko7 h LYS 77 N 0.59 0.11 -0.59 4.17 1.57 -1.84 0.93 116.57 121.51 3ko7 h LYS 77 Ca 0.09 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.96 3ko7 h LYS 77 Cb 0.66 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.86 3ko7 h LYS 77 CO 0.05 0.32 0.05 -0.44 -0.57 0.00 0.00 179.45 178.86 3ko7 h ASP 78 N -0.11 -0.15 -0.11 0.86 3.32 -1.81 -0.24 116.42 118.18 3ko7 h ASP 78 Ca 0.02 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ko7 h ASP 78 Cb 0.26 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3ko7 h ASP 78 CO 0.00 -0.06 0.00 0.18 -1.72 0.00 0.00 179.24 177.64 3ko7 n LEU 79 N -5.21 1.39 -2.90 1.55 4.77 -1.06 -4.92 117.00 110.61 3ko7 n LEU 79 Ca 0.08 -0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 55.31 3ko7 n LEU 79 Cb 0.33 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 3ko7 n LEU 79 CO 0.14 0.27 0.05 -3.20 -1.33 0.00 0.00 177.39 173.32 3ko7 n ASN 80 N 0.12 -5.83 -4.86 -1.43 2.85 -0.10 -5.00 115.26 101.00 3ko7 n ASN 80 Ca 0.17 -0.32 -0.23 0.00 -0.11 0.00 0.00 54.58 54.09 3ko7 n ASN 80 Cb 0.30 -4.61 0.07 0.00 1.24 0.00 0.00 39.78 36.78 3ko7 n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3ko7 s TYR 81 N -3.17 2.51 0.24 1.20 2.02 0.29 -5.03 117.35 115.42 3ko7 s TYR 81 Ca 0.34 0.04 0.08 0.00 -0.37 0.00 0.00 57.07 57.16 3ko7 s TYR 81 Cb -0.15 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 3ko7 s TYR 81 CO 0.42 -1.28 0.13 -1.21 -1.57 0.00 0.00 175.55 172.04 3ko7 s GLU 82 N -5.01 2.74 -0.03 -0.62 2.02 -0.96 -4.71 118.70 112.11 3ko7 s GLU 82 Ca 0.61 -1.13 0.07 0.00 0.02 0.00 0.00 54.97 54.54 3ko7 s GLU 82 Cb -0.09 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 3ko7 s GLU 82 CO 0.42 0.40 -0.25 -0.51 0.02 0.00 0.00 175.26 175.34 3ko7 s LEU 83 N -3.69 2.10 -0.33 1.80 1.02 0.42 -1.13 118.68 118.87 3ko7 s LEU 83 Ca 0.32 -0.46 -0.02 0.00 0.02 0.00 0.00 54.13 53.99 3ko7 s LEU 83 Cb -0.08 -1.36 0.06 0.00 0.02 0.00 0.00 46.19 44.83 3ko7 s LEU 83 CO 0.23 0.30 0.05 -0.22 0.02 0.00 0.00 176.35 176.73 3ko7 s LEU 84 N -0.50 4.22 -0.33 1.79 2.96 0.44 0.24 118.68 127.50 3ko7 s LEU 84 Ca 0.07 -1.45 -0.15 0.00 -0.22 0.00 0.00 54.13 52.38 3ko7 s LEU 84 Cb -0.11 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 3ko7 s LEU 84 CO 0.00 -0.32 0.36 -0.63 -1.32 0.00 0.00 176.35 174.44 3ko7 s ILE 85 N 1.22 5.17 -0.14 6.68 -1.09 -0.62 0.15 121.20 132.58 3ko7 s ILE 85 Ca -0.02 0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 3ko7 s ILE 85 Cb -0.20 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 3ko7 s ILE 85 CO -0.02 -0.04 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.75 3ko7 s VAL 86 N 2.02 2.07 0.07 2.92 1.01 0.42 -3.56 120.40 125.35 3ko7 s VAL 86 Ca 0.12 -0.98 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 3ko7 s VAL 86 Cb -0.16 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 3ko7 s VAL 86 CO 0.11 0.55 1.27 -0.55 0.00 0.00 0.00 175.10 176.48 3ko7 s SER 87 N 0.83 6.99 -0.42 3.32 0.15 -1.26 0.34 113.70 123.64 3ko7 s SER 87 Ca -0.07 2.11 0.02 0.00 0.70 0.00 0.00 55.95 58.71 3ko7 s SER 87 Cb -0.15 -2.58 0.15 0.00 -1.71 0.00 0.00 66.02 61.73 3ko7 s SER 87 CO -0.02 -0.54 0.28 -1.58 1.20 0.00 0.00 173.24 172.58 3ko7 s GLN 88 N 1.19 0.99 0.65 5.44 2.00 -0.20 -4.77 119.66 124.96 3ko7 s GLN 88 Ca 0.61 -1.91 0.41 0.00 -2.00 0.00 0.00 55.36 52.47 3ko7 s GLN 88 Cb -0.32 -1.75 2.25 0.00 0.80 0.00 0.00 33.01 34.00 3ko7 s GLN 88 CO 0.29 -1.26 2.33 0.27 -0.50 0.00 0.00 175.29 176.41 3ko7 h PHE 89 N 6.36 0.00 0.00 1.67 -5.15 -1.95 -2.71 116.94 115.16 3ko7 h PHE 89 Ca 0.12 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.89 3ko7 h PHE 89 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.09 3ko7 h PHE 89 CO 0.41 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 176.98 3ko7 n THR 90 N -3.22 0.83 0.16 0.88 -2.24 -1.26 -1.64 114.28 107.78 3ko7 n THR 90 Ca -0.03 0.22 0.09 0.00 -2.27 0.00 0.00 64.05 62.06 3ko7 n THR 90 Cb 0.09 -1.14 0.59 0.00 -2.10 0.00 0.00 70.33 67.77 3ko7 n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ko7 h LEU 91 N 0.00 0.11 -3.52 3.22 3.38 -1.88 0.18 115.31 116.80 3ko7 h LEU 91 Ca 0.00 -0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 3ko7 h LEU 91 Cb 0.37 -0.03 -0.21 0.00 0.09 0.00 0.00 40.66 40.88 3ko7 h LEU 91 CO 0.00 0.08 0.52 0.49 0.09 0.00 0.00 178.44 179.62 3ko7 n PHE 92 N -4.51 2.18 -2.58 1.13 3.72 -0.65 -4.80 117.46 111.95 3ko7 n PHE 92 Ca 0.00 -1.86 -0.41 0.00 -0.05 0.00 0.00 57.45 55.13 3ko7 n PHE 92 Cb 0.15 -0.92 -0.03 0.00 -0.94 0.00 0.00 39.48 37.74 3ko7 n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ko7 s GLY 93 N -0.62 1.26 -0.09 1.37 0.00 0.63 -4.16 107.32 105.70 3ko7 s GLY 93 Ca 0.42 -2.19 -0.30 0.00 0.00 0.00 0.00 44.72 42.65 3ko7 s GLY 93 CO 0.04 2.64 1.56 0.21 0.00 0.00 0.00 173.10 177.55 3ko7 s ASN 94 N 4.75 6.70 0.00 1.64 3.84 0.23 -4.74 114.94 127.37 3ko7 s ASN 94 Ca 0.44 2.06 0.05 0.00 0.21 0.00 0.00 52.86 55.62 3ko7 s ASN 94 Cb -0.01 -2.53 0.13 0.00 -0.55 0.00 0.00 41.25 38.28 3ko7 s ASN 94 CO -0.07 -0.92 1.02 0.35 -2.79 0.00 0.00 177.10 174.69 3ko7 n THR 95 N 5.54 0.76 -0.30 -5.21 -2.24 -1.26 -1.26 114.28 110.30 3ko7 n THR 95 Ca 0.17 -0.88 0.01 0.00 -2.27 0.00 0.00 64.05 61.07 3ko7 n THR 95 Cb 0.43 0.65 0.19 0.00 -2.10 0.00 0.00 70.33 69.51 3ko7 n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ko7 h LYS 96 N 1.05 1.12 -4.93 -0.78 6.56 -1.95 -3.38 116.57 114.26 3ko7 h LYS 96 Ca 0.00 -0.07 -0.67 0.00 -1.06 0.00 0.00 60.65 58.85 3ko7 h LYS 96 Cb 0.52 -0.25 -0.36 0.00 -0.57 0.00 0.00 32.23 31.57 3ko7 h LYS 96 CO 0.00 0.74 -0.82 -1.59 -2.06 0.00 0.00 179.45 175.73 3ko7 s LYS 97 N -5.97 2.48 0.12 3.15 -2.85 -1.26 -5.05 119.74 110.36 3ko7 s LYS 97 Ca -0.12 -1.19 0.00 0.00 -1.00 0.00 0.00 55.97 53.67 3ko7 s LYS 97 Cb 0.18 -2.80 0.00 0.00 -2.06 0.00 0.00 37.83 33.16 3ko7 s LYS 97 CO 0.80 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 176.20 3ko7 n GLY 98 N 4.49 -2.95 0.16 0.59 0.00 -1.26 -4.73 105.19 101.50 3ko7 n GLY 98 Ca -0.16 -1.27 0.14 0.00 0.00 0.00 0.00 46.02 44.73 3ko7 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ko7 n ASN 99 N -1.98 0.50 -4.55 1.61 5.03 -1.26 -4.68 115.26 109.93 3ko7 n ASN 99 Ca -0.01 -1.23 -0.42 0.00 0.87 0.00 0.00 54.58 53.79 3ko7 n ASN 99 Cb 0.11 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.80 3ko7 n ASN 99 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3ko7 s LYS 100 N -1.99 3.55 0.40 3.52 2.20 -1.26 -5.03 119.74 121.13 3ko7 s LYS 100 Ca 0.42 -0.07 -0.27 0.00 -0.36 0.00 0.00 55.97 55.69 3ko7 s LYS 100 Cb 0.20 -3.86 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 3ko7 s LYS 100 CO 0.33 -0.85 1.38 -2.14 -0.36 0.00 0.00 175.35 173.71 3ko7 s PRO 101 N 2.82 4.01 -0.19 4.03 0.02 -1.26 -4.88 135.00 139.55 3ko7 s PRO 101 Ca 0.25 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3ko7 s PRO 101 Cb -0.14 -2.84 0.01 0.00 0.02 0.00 0.00 34.50 31.55 3ko7 s PRO 101 CO 0.17 -0.52 -0.17 0.34 -0.33 0.00 0.00 177.00 176.49 3ko7 s ASP 102 N -0.49 3.38 -0.71 2.53 2.15 -0.39 -4.91 116.67 118.23 3ko7 s ASP 102 Ca 0.55 -0.59 0.02 0.00 0.43 0.00 0.00 52.55 52.97 3ko7 s ASP 102 Cb -0.42 -1.53 0.35 0.00 -0.30 0.00 0.00 42.92 41.02 3ko7 s ASP 102 CO 0.55 0.00 1.37 0.49 -0.17 0.00 0.00 175.17 177.41 3ko7 n PHE 103 N 4.61 3.43 0.05 -5.34 3.72 -1.26 -0.60 117.46 122.07 3ko7 n PHE 103 Ca -0.20 -3.19 0.00 0.00 -0.05 0.00 0.00 57.45 54.01 3ko7 n PHE 103 Cb 0.50 -0.69 -0.06 0.00 -0.94 0.00 0.00 39.48 38.29 3ko7 n PHE 103 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 3ko7 h HIS 104 N 3.21 0.00 0.00 1.38 2.07 -1.96 -3.33 115.15 116.52 3ko7 h HIS 104 Ca 0.34 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.74 3ko7 h HIS 104 Cb 0.47 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.44 3ko7 h HIS 104 CO 1.02 0.57 -0.58 -0.07 -3.07 0.00 0.00 177.93 175.79 3ko7 h LEU 105 N 0.00 0.00 -9.55 6.12 3.38 -1.86 -3.46 115.31 109.94 3ko7 h LEU 105 Ca -0.13 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.32 3ko7 h LEU 105 Cb 1.54 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.33 3ko7 h LEU 105 CO 0.05 0.58 1.01 0.00 0.09 0.00 0.00 178.44 180.17 3ko7 s ALA 106 N -3.02 3.79 0.55 1.53 0.00 -1.25 -0.51 121.76 122.86 3ko7 s ALA 106 Ca 0.03 1.41 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 3ko7 s ALA 106 Cb 0.09 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 3ko7 s ALA 106 CO 0.75 -1.02 1.34 0.21 0.00 0.00 0.00 175.76 177.04 3ko7 s LYS 107 N 1.97 3.10 0.27 0.00 2.20 -0.93 -4.69 119.74 121.66 3ko7 s LYS 107 Ca 0.75 2.20 -0.30 0.00 -0.36 0.00 0.00 55.97 58.26 3ko7 s LYS 107 Cb -0.45 -2.22 -0.13 0.00 -1.51 0.00 0.00 37.83 33.52 3ko7 s LYS 107 CO 0.33 -1.21 1.32 0.39 -0.36 0.00 0.00 175.35 175.82 3ko7 n GLU 108 N -1.11 1.96 0.00 4.03 1.02 -1.26 -4.71 120.64 120.56 3ko7 n GLU 108 Ca 0.11 0.69 0.06 0.00 -0.02 0.00 0.00 57.16 58.00 3ko7 n GLU 108 Cb 0.45 -2.29 0.37 0.00 -0.02 0.00 0.00 31.44 29.95 3ko7 n GLU 108 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3ko7 n PRO 109 N 1.44 0.45 -0.12 3.49 -0.02 -1.26 -0.60 135.00 138.38 3ko7 n PRO 109 Ca 0.09 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.38 3ko7 n PRO 109 Cb 0.33 -1.43 -0.10 0.00 -0.02 0.00 0.00 33.50 32.27 3ko7 n PRO 109 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ko7 n ASN 110 N -0.93 2.06 0.23 2.55 3.02 -1.26 -3.37 115.26 117.56 3ko7 n ASN 110 Ca 0.09 -0.01 0.11 0.00 -0.03 0.00 0.00 54.58 54.74 3ko7 n ASN 110 Cb 0.04 -0.47 0.51 0.00 -0.61 0.00 0.00 39.78 39.26 3ko7 n ASN 110 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3ko7 h GLU 111 N -0.24 0.00 0.10 3.52 5.08 -1.80 -3.28 114.58 117.96 3ko7 h GLU 111 Ca -0.56 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.53 3ko7 h GLU 111 Cb 1.75 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.03 3ko7 h GLU 111 CO -0.16 0.19 -1.12 0.00 -1.00 0.00 0.00 179.01 176.92 3ko7 h ALA 112 N 1.81 0.00 -0.40 3.43 0.00 -1.01 -2.85 119.26 120.23 3ko7 h ALA 112 Ca -0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 3ko7 h ALA 112 Cb 0.67 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ko7 h ALA 112 CO 0.03 0.62 0.24 1.25 0.00 0.00 0.00 179.25 181.38 3ko7 h LEU 113 N 0.18 0.48 -0.50 0.00 5.85 -1.63 0.28 115.31 119.98 3ko7 h LEU 113 Ca -0.17 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3ko7 h LEU 113 Cb 1.80 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 3ko7 h LEU 113 CO 0.21 0.39 0.30 -0.29 -0.34 0.00 0.00 178.44 178.72 3ko7 h ILE 114 N 0.52 1.15 -0.17 4.05 6.09 -1.65 0.45 117.51 127.95 3ko7 h ILE 114 Ca 0.14 -0.34 -0.01 0.00 -1.37 0.00 0.00 64.86 63.28 3ko7 h ILE 114 Cb 0.00 0.48 -0.01 0.00 0.47 0.00 0.00 36.82 37.77 3ko7 h ILE 114 CO -0.03 0.15 0.07 0.15 -3.07 0.00 0.00 178.15 175.43 3ko7 h PHE 115 N 0.66 0.27 -0.62 2.19 3.57 -1.24 -1.22 116.94 120.55 3ko7 h PHE 115 Ca 0.18 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3ko7 h PHE 115 Cb -0.01 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 3ko7 h PHE 115 CO -0.03 0.33 0.40 -0.92 -2.23 0.00 0.00 178.31 175.87 3ko7 h TYR 116 N 0.13 0.78 -0.55 0.41 3.20 -0.32 -1.15 116.97 119.47 3ko7 h TYR 116 Ca 0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3ko7 h TYR 116 Cb 0.18 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3ko7 h TYR 116 CO -0.01 0.50 0.26 -0.91 -1.64 0.00 0.00 178.16 176.36 3ko7 h ASN 117 N 0.84 0.72 -0.54 -2.11 2.35 -0.78 -1.35 115.58 114.71 3ko7 h ASN 117 Ca 0.23 -0.13 0.06 0.00 -0.55 0.00 0.00 56.30 55.90 3ko7 h ASN 117 Cb -0.09 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.04 3ko7 h ASN 117 CO -0.05 0.65 0.25 0.11 -1.65 0.00 0.00 177.43 176.74 3ko7 h LYS 118 N 0.74 0.46 -0.39 0.81 1.57 -0.96 -1.85 116.57 116.95 3ko7 h LYS 118 Ca 0.19 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3ko7 h LYS 118 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3ko7 h LYS 118 CO -0.02 0.30 0.21 0.82 -0.57 0.00 0.00 179.45 180.19 3ko7 h ILE 119 N 0.47 1.13 -0.03 1.86 2.04 -0.72 -1.96 117.51 120.30 3ko7 h ILE 119 Ca 0.25 -0.32 -0.24 0.00 1.00 0.00 0.00 64.86 65.55 3ko7 h ILE 119 Cb 0.21 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3ko7 h ILE 119 CO -0.21 0.14 -0.94 0.40 0.00 0.00 0.00 178.15 177.54 3ko7 h ILE 120 N 0.54 1.33 -0.26 -0.67 1.08 -0.82 -1.30 117.51 117.42 3ko7 h ILE 120 Ca 0.14 -2.27 0.05 0.00 -0.39 0.00 0.00 64.86 62.39 3ko7 h ILE 120 Cb 0.02 2.31 -0.04 0.00 -3.07 0.00 0.00 36.82 36.04 3ko7 h ILE 120 CO -0.02 0.69 -0.02 0.44 -0.69 0.00 0.00 178.15 178.55 3ko7 h ASP 121 N 0.35 -0.14 -0.45 1.72 3.32 -0.97 -2.53 116.42 117.71 3ko7 h ASP 121 Ca -0.09 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3ko7 h ASP 121 Cb 1.57 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.23 3ko7 h ASP 121 CO 0.18 -0.04 -0.00 -0.08 -1.72 0.00 0.00 179.24 177.58 3ko7 h GLU 122 N 0.06 0.79 -1.01 3.56 4.57 -1.29 -0.22 114.58 121.04 3ko7 h GLU 122 Ca 0.12 -0.25 0.22 0.00 -1.18 0.00 0.00 59.36 58.28 3ko7 h GLU 122 Cb 0.17 -0.07 -0.12 0.00 -0.16 0.00 0.00 28.75 28.57 3ko7 h GLU 122 CO -0.23 0.86 0.61 0.74 -1.18 0.00 0.00 179.01 179.81 3ko7 h PHE 123 N 0.64 1.01 -0.01 0.92 0.04 -1.16 -0.24 116.94 118.14 3ko7 h PHE 123 Ca 0.13 0.03 -0.24 0.00 2.80 0.00 0.00 57.97 60.69 3ko7 h PHE 123 Cb 0.50 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.36 3ko7 h PHE 123 CO 0.04 0.13 -0.96 0.87 -0.60 0.00 0.00 178.31 177.79 3ko7 h LYS 124 N 0.64 0.53 -0.67 1.51 1.57 -0.74 -2.00 116.57 117.42 3ko7 h LYS 124 Ca 0.62 -0.55 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 3ko7 h LYS 124 Cb 1.11 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 3ko7 h LYS 124 CO -0.43 1.18 0.10 0.87 -0.57 0.00 0.00 179.45 180.60 3ko7 h LYS 125 N 0.30 1.11 -0.00 3.15 1.57 -0.66 -1.79 116.57 120.25 3ko7 h LYS 125 Ca -0.09 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3ko7 h LYS 125 Cb 1.59 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3ko7 h LYS 125 CO 0.17 1.02 -0.25 1.04 -0.57 0.00 0.00 179.45 180.86 3ko7 n GLN 126 N -4.21 0.37 0.00 3.15 6.02 -0.14 -4.77 117.38 117.81 3ko7 n GLN 126 Ca 0.04 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 3ko7 n GLN 126 Cb 0.30 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.06 3ko7 n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3ko7 n TYR 127 N -1.17 0.00 -3.63 1.08 9.36 -0.76 -5.07 117.16 116.98 3ko7 n TYR 127 Ca 0.10 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.30 3ko7 n TYR 127 Cb 0.32 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.97 3ko7 n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3ko7 s ASN 128 N 1.00 -0.45 0.19 2.98 3.84 -0.68 -4.99 114.94 116.83 3ko7 s ASN 128 Ca 0.00 0.72 -0.07 0.00 0.21 0.00 0.00 52.86 53.72 3ko7 s ASN 128 Cb 0.00 1.21 0.30 0.00 -0.55 0.00 0.00 41.25 42.21 3ko7 s ASN 128 CO 0.00 -0.11 1.11 -0.67 -2.79 0.00 0.00 177.10 174.63 3ko7 n ASP 129 N 3.71 -0.29 0.13 -4.21 2.03 -1.24 -1.67 116.55 115.01 3ko7 n ASP 129 Ca -0.18 1.22 0.07 0.00 0.52 0.00 0.00 54.79 56.42 3ko7 n ASP 129 Cb 0.57 -0.36 0.04 0.00 -0.72 0.00 0.00 41.12 40.65 3ko7 n ASP 129 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 3ko7 h ASP 130 N 0.00 0.00 1.49 1.67 3.58 -1.97 -3.35 116.42 117.83 3ko7 h ASP 130 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 3ko7 h ASP 130 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3ko7 h ASP 130 CO -0.73 0.27 0.00 0.11 -2.88 0.00 0.00 179.24 176.01 3ko7 h LYS 131 N 0.00 0.00 -4.94 0.28 1.79 -1.69 -3.43 116.57 108.58 3ko7 h LYS 131 Ca -0.03 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.79 3ko7 h LYS 131 Cb 1.23 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.66 3ko7 h LYS 131 CO 0.03 0.00 -0.62 0.42 -1.08 0.00 0.00 179.45 178.20 3ko7 s ILE 132 N -3.24 4.33 0.03 1.86 -1.09 -1.23 -0.44 121.20 121.42 3ko7 s ILE 132 Ca 0.07 -0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 3ko7 s ILE 132 Cb 0.09 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 3ko7 s ILE 132 CO 0.59 0.32 -0.03 -0.54 -1.23 0.00 0.00 174.94 174.04 3ko7 s LYS 133 N 1.62 2.59 0.41 2.79 3.01 0.14 -4.97 119.74 125.32 3ko7 s LYS 133 Ca 0.06 -0.74 0.04 0.00 -1.01 0.00 0.00 55.97 54.32 3ko7 s LYS 133 Cb -0.15 -2.55 -0.05 0.00 -1.01 0.00 0.00 37.83 34.07 3ko7 s LYS 133 CO 0.04 0.59 0.05 0.96 0.51 0.00 0.00 175.35 177.49 3ko7 s ILE 134 N -1.12 1.23 0.00 2.17 -4.36 -1.26 -1.59 121.20 116.26 3ko7 s ILE 134 Ca 0.20 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 3ko7 s ILE 134 Cb -0.11 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.02 3ko7 s ILE 134 CO 0.12 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.91 3ko7 n GLY 135 N -0.95 2.49 3.23 6.27 0.00 -1.23 -4.65 105.19 110.34 3ko7 n GLY 135 Ca -0.08 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 3ko7 n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ko7 s LYS 136 N 0.98 2.89 0.04 1.61 2.20 -1.26 -5.05 119.74 121.15 3ko7 s LYS 136 Ca 0.00 -2.14 -0.38 0.00 -0.36 0.00 0.00 55.97 53.08 3ko7 s LYS 136 Cb 0.00 -4.07 -0.19 0.00 -1.51 0.00 0.00 37.83 32.06 3ko7 s LYS 136 CO 0.00 -1.23 1.16 0.34 -0.36 0.00 0.00 175.35 175.25 3ko7 n PHE 137 N 4.34 0.94 -1.53 4.03 7.35 -1.26 -1.01 117.46 130.33 3ko7 n PHE 137 Ca 0.01 0.90 -0.18 0.00 -0.76 0.00 0.00 57.45 57.42 3ko7 n PHE 137 Cb 0.42 -2.18 -0.08 0.00 0.35 0.00 0.00 39.48 37.99 3ko7 n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ko7 n GLY 138 N 1.88 1.76 3.69 7.13 0.00 -1.26 -4.99 105.19 113.39 3ko7 n GLY 138 Ca 0.19 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 3ko7 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ko7 s ASN 139 N -2.76 4.74 0.23 1.61 0.02 -0.18 -5.10 114.94 113.50 3ko7 s ASN 139 Ca 0.00 -0.58 -0.30 0.00 -1.02 0.00 0.00 52.86 50.96 3ko7 s ASN 139 Cb 0.00 -0.94 -0.09 0.00 0.02 0.00 0.00 41.25 40.23 3ko7 s ASN 139 CO 0.00 -0.03 1.31 -0.47 0.02 0.00 0.00 177.10 177.94 3ko7 s TYR 140 N -2.30 3.22 0.03 2.20 5.04 -1.26 -4.91 117.35 119.36 3ko7 s TYR 140 Ca 0.32 1.25 0.04 0.00 -2.44 0.00 0.00 57.07 56.24 3ko7 s TYR 140 Cb -0.06 -3.62 -0.02 0.00 0.35 0.00 0.00 41.96 38.61 3ko7 s TYR 140 CO 0.21 -1.90 -0.12 -1.64 -1.34 0.00 0.00 175.55 170.76 3ko7 s MET 141 N -0.45 0.84 -0.22 4.97 -1.94 -1.26 -4.22 119.30 117.02 3ko7 s MET 141 Ca 0.55 -0.65 -0.04 0.00 -1.71 0.00 0.00 55.69 53.85 3ko7 s MET 141 Cb -0.37 -0.82 -0.01 0.00 2.01 0.00 0.00 34.83 35.64 3ko7 s MET 141 CO 0.41 0.20 -0.04 1.21 -0.01 0.00 0.00 175.02 176.79 3ko7 s ASN 142 N -0.94 4.30 -0.28 3.03 2.47 0.07 -4.98 114.94 118.60 3ko7 s ASN 142 Ca 0.01 -0.40 0.03 0.00 0.42 0.00 0.00 52.86 52.91 3ko7 s ASN 142 Cb -0.07 -1.74 0.07 0.00 -1.45 0.00 0.00 41.25 38.07 3ko7 s ASN 142 CO 0.01 -0.02 -0.04 -0.63 -3.72 0.00 0.00 177.10 172.69 3ko7 s ILE 143 N 1.48 2.03 -0.31 -5.21 1.01 -1.26 0.47 121.20 119.40 3ko7 s ILE 143 Ca 0.06 -1.76 -0.28 0.00 0.00 0.00 0.00 60.65 58.68 3ko7 s ILE 143 Cb -0.14 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.06 3ko7 s ILE 143 CO -0.03 -0.23 0.99 -1.81 0.00 0.00 0.00 174.94 173.86 3ko7 s ASP 144 N 1.12 6.87 -0.08 3.58 1.01 0.67 -4.90 116.67 124.95 3ko7 s ASP 144 Ca -0.02 0.97 0.04 0.00 0.71 0.00 0.00 52.55 54.25 3ko7 s ASP 144 Cb -0.19 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.23 3ko7 s ASP 144 CO -0.07 -0.79 -0.19 -0.69 0.21 0.00 0.00 175.17 173.64 3ko7 s VAL 145 N 3.42 1.68 -0.69 -1.27 1.01 -1.26 0.80 120.40 124.08 3ko7 s VAL 145 Ca 0.42 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 3ko7 s VAL 145 Cb -0.13 -1.46 0.17 0.00 0.00 0.00 0.00 36.38 34.96 3ko7 s VAL 145 CO 0.14 0.47 0.65 -0.89 0.00 0.00 0.00 175.10 175.47 3ko7 s THR 146 N 0.36 5.40 0.10 3.92 2.01 0.47 -4.99 115.64 122.91 3ko7 s THR 146 Ca -0.14 -1.98 -0.31 0.00 0.31 0.00 0.00 61.69 59.56 3ko7 s THR 146 Cb -0.16 -4.42 -0.07 0.00 0.01 0.00 0.00 72.50 67.86 3ko7 s THR 146 CO 0.06 -0.97 1.34 0.20 -0.69 0.00 0.00 174.62 174.57 3ko7 s ASN 147 N 2.87 6.89 -0.43 3.53 0.01 -1.26 -0.39 114.94 126.15 3ko7 s ASN 147 Ca 0.11 2.24 -0.06 0.00 -0.71 0.00 0.00 52.86 54.44 3ko7 s ASN 147 Cb -0.19 -2.58 0.10 0.00 0.41 0.00 0.00 41.25 38.99 3ko7 s ASN 147 CO -0.03 -0.61 0.26 -0.62 -1.51 0.00 0.00 177.10 174.59 3ko7 s ASP 148 N 1.12 5.48 0.00 -1.22 2.15 0.00 -4.67 116.67 119.53 3ko7 s ASP 148 Ca 0.63 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.76 3ko7 s ASP 148 Cb -0.35 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 3ko7 s ASP 148 CO 0.30 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 3ko7 n GLY 149 N 4.78 2.11 3.89 2.66 0.00 -1.26 -3.50 105.19 113.86 3ko7 n GLY 149 Ca -0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 3ko7 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko7 s PRO 150 N 0.00 2.64 -0.07 1.61 0.04 -1.26 -5.17 135.00 132.79 3ko7 s PRO 150 Ca 0.00 0.38 0.02 0.00 0.04 0.00 0.00 61.00 61.45 3ko7 s PRO 150 Cb 0.00 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.55 3ko7 s PRO 150 CO 0.00 -1.17 -0.13 0.08 0.04 0.00 0.00 177.00 175.82 3ko7 s VAL 151 N -3.41 1.18 -0.06 -0.36 1.01 -1.23 -5.02 120.40 112.51 3ko7 s VAL 151 Ca 0.59 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3ko7 s VAL 151 Cb -0.11 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3ko7 s VAL 151 CO 0.51 0.36 -0.04 -0.89 0.00 0.00 0.00 175.10 175.05 3ko7 s THR 152 N 0.61 0.56 -0.03 3.92 2.01 -1.26 -2.01 115.64 119.44 3ko7 s THR 152 Ca -0.14 -0.08 0.06 0.00 0.31 0.00 0.00 61.69 61.84 3ko7 s THR 152 Cb -0.16 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.72 3ko7 s THR 152 CO 0.04 0.26 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.38 3ko7 s ILE 153 N 1.32 1.75 -0.05 1.82 -1.09 -0.39 -4.98 121.20 119.59 3ko7 s ILE 153 Ca -0.04 -0.92 0.06 0.00 -2.23 0.00 0.00 60.65 57.52 3ko7 s ILE 153 Cb -0.14 -1.47 -0.01 0.00 -1.58 0.00 0.00 42.46 39.26 3ko7 s ILE 153 CO -0.02 0.49 -0.25 -0.47 -1.23 0.00 0.00 174.94 173.46 3ko7 s TYR 154 N -0.28 2.39 -0.02 3.97 5.04 -1.26 -0.96 117.35 126.23 3ko7 s TYR 154 Ca 0.02 -0.66 0.01 0.00 -2.44 0.00 0.00 57.07 54.01 3ko7 s TYR 154 Cb -0.11 -1.56 0.01 0.00 0.35 0.00 0.00 41.96 40.65 3ko7 s TYR 154 CO 0.01 -0.18 -0.05 0.42 -1.34 0.00 0.00 175.55 174.42 3ko7 s ILE 155 N -0.25 0.47 -0.23 3.14 1.01 -0.95 -5.03 121.20 119.35 3ko7 s ILE 155 Ca -0.01 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.49 3ko7 s ILE 155 Cb -0.13 -0.46 0.06 0.00 0.01 0.00 0.00 42.46 41.94 3ko7 s ILE 155 CO 0.03 0.17 -0.07 -0.62 0.00 0.00 0.00 174.94 174.45 3ko7 s ASP 156 N 0.45 3.79 0.25 3.58 -1.08 -1.26 -1.59 116.67 120.80 3ko7 s ASP 156 Ca -0.05 -1.12 -0.03 0.00 -0.52 0.00 0.00 52.55 50.82 3ko7 s ASP 156 Cb -0.09 -1.21 0.49 0.00 -1.46 0.00 0.00 42.92 40.65 3ko7 s ASP 156 CO -0.00 -0.21 1.73 0.71 0.52 0.00 0.00 175.17 177.91 3ko7 h THR 157 N 6.62 0.64 -0.37 1.71 1.35 -1.48 -2.57 112.91 118.80 3ko7 h THR 157 Ca -0.20 -0.15 0.11 0.00 -0.55 0.00 0.00 66.41 65.61 3ko7 h THR 157 Cb 1.07 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3ko7 h THR 157 CO 0.43 0.08 0.42 0.45 -0.25 0.00 0.00 175.52 176.65 3ko7 h HIS 158 N 0.45 0.00 0.00 4.73 3.86 -1.97 -3.48 115.15 118.74 3ko7 h HIS 158 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 3ko7 h HIS 158 Cb 0.68 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 3ko7 h HIS 158 CO -0.16 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.38