#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcs s ILE 7 N 0.00 3.26 -0.52 0.00 -4.36 -1.26 -4.46 121.20 113.86 3kcs s ILE 7 Ca 0.00 -1.50 -0.20 0.00 -0.26 0.00 0.00 60.65 58.69 3kcs s ILE 7 Cb 0.00 -3.09 0.06 0.00 1.25 0.00 0.00 42.46 40.68 3kcs s ILE 7 CO 0.00 -0.16 0.67 -0.63 0.24 0.00 0.00 174.94 175.05 3kcs s ILE 8 N -2.37 4.82 0.76 8.37 1.01 -1.26 -5.00 121.20 127.52 3kcs s ILE 8 Ca 0.40 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 3kcs s ILE 8 Cb -0.04 -4.34 0.04 0.00 0.01 0.00 0.00 42.46 38.13 3kcs s ILE 8 CO 0.25 -0.87 1.10 -0.54 0.00 0.00 0.00 174.94 174.88 3kcs s LYS 9 N 2.78 2.44 0.61 2.79 1.02 -1.26 -4.96 119.74 123.16 3kcs s LYS 9 Ca 0.16 0.54 0.35 0.00 0.02 0.00 0.00 55.97 57.04 3kcs s LYS 9 Cb -0.19 -1.97 1.97 0.00 -0.52 0.00 0.00 37.83 37.12 3kcs s LYS 9 CO 0.12 -1.35 2.26 0.93 -0.92 0.00 0.00 175.35 176.40 3kcs h GLU 10 N -0.88 0.00 -4.81 1.68 5.08 -1.96 -3.40 114.58 110.29 3kcs h GLU 10 Ca -0.46 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.32 3kcs h GLU 10 Cb 1.26 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.18 3kcs h GLU 10 CO 0.62 0.02 -0.84 0.12 -1.00 0.00 0.00 179.01 177.93 3kcs s PHE 11 N -4.37 1.91 0.00 4.33 5.36 -1.26 -3.69 117.98 120.26 3kcs s PHE 11 Ca -0.04 -0.79 0.00 0.00 -0.96 0.00 0.00 56.93 55.14 3kcs s PHE 11 Cb 0.14 -1.35 -0.00 0.00 -0.34 0.00 0.00 43.02 41.47 3kcs s PHE 11 CO 0.51 -0.38 -0.02 -1.64 -1.46 0.00 0.00 175.22 172.23 3kcs s MET 12 N 0.68 0.14 0.28 10.12 -1.94 -0.65 -5.00 119.30 122.94 3kcs s MET 12 Ca -0.13 -0.16 0.02 0.00 -1.71 0.00 0.00 55.69 53.71 3kcs s MET 12 Cb -0.16 -0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.58 3kcs s MET 12 CO 0.03 0.01 0.45 1.03 -0.01 0.00 0.00 175.02 176.54 3kcs s ARG 13 N -0.31 3.48 0.05 2.03 0.52 -1.26 -1.19 118.95 122.27 3kcs s ARG 13 Ca -0.03 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 3kcs s ARG 13 Cb -0.02 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 3kcs s ARG 13 CO -0.00 0.29 -0.05 -0.59 0.02 0.00 0.00 175.30 174.97 3kcs s PHE 14 N -2.11 0.60 0.00 -0.53 -0.12 0.24 -1.36 117.98 114.69 3kcs s PHE 14 Ca 0.38 -0.78 0.07 0.00 -0.05 0.00 0.00 56.93 56.54 3kcs s PHE 14 Cb -0.10 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 41.89 3kcs s PHE 14 CO 0.32 -0.21 -0.22 0.15 -0.05 0.00 0.00 175.22 175.21 3kcs s LYS 15 N -2.84 1.67 0.01 1.99 -0.14 0.02 -0.37 119.74 120.08 3kcs s LYS 15 Ca -0.00 -0.83 0.03 0.00 -1.36 0.00 0.00 55.97 53.80 3kcs s LYS 15 Cb -0.01 -1.67 -0.01 0.00 -1.68 0.00 0.00 37.83 34.46 3kcs s LYS 15 CO -0.04 0.45 -0.09 0.54 -0.76 0.00 0.00 175.35 175.44 3kcs s VAL 16 N -0.59 0.73 -0.06 3.17 0.11 -0.59 -0.52 120.40 122.65 3kcs s VAL 16 Ca 0.08 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 3kcs s VAL 16 Cb -0.09 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3kcs s VAL 16 CO -0.00 0.08 -0.10 -2.28 -3.33 0.00 0.00 175.10 169.46 3kcs s HIS 17 N -0.48 1.30 -0.09 1.54 2.46 -0.79 -0.79 115.29 118.44 3kcs s HIS 17 Ca 0.01 -0.47 0.03 0.00 0.47 0.00 0.00 55.06 55.10 3kcs s HIS 17 Cb -0.05 -0.99 -0.01 0.00 -0.13 0.00 0.00 32.58 31.40 3kcs s HIS 17 CO 0.00 -0.27 -0.19 1.41 -2.47 0.00 0.00 174.74 173.22 3kcs s MET 18 N 0.78 2.90 -0.20 2.88 1.75 0.06 -0.61 119.30 126.87 3kcs s MET 18 Ca -0.13 -0.79 -0.05 0.00 -1.25 0.00 0.00 55.69 53.47 3kcs s MET 18 Cb -0.15 -2.38 -0.03 0.00 2.84 0.00 0.00 34.83 35.11 3kcs s MET 18 CO 0.02 0.34 0.00 -1.21 -0.65 0.00 0.00 175.02 173.52 3kcs s GLU 19 N -0.01 3.63 0.06 4.11 2.02 -0.35 -1.53 118.70 126.63 3kcs s GLU 19 Ca -0.06 -0.51 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 3kcs s GLU 19 Cb -0.15 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 3kcs s GLU 19 CO 0.05 0.04 -0.04 0.20 0.02 0.00 0.00 175.26 175.52 3kcs s GLY 20 N 0.94 0.51 -0.06 -1.39 0.00 -0.37 -1.19 107.32 105.76 3kcs s GLY 20 Ca 0.01 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.53 3kcs s GLY 20 CO 0.02 -1.28 0.13 -0.45 0.00 0.00 0.00 173.10 171.52 3kcs s SER 21 N -2.80 -0.09 -0.11 1.64 0.15 -0.72 -1.09 113.70 110.68 3kcs s SER 21 Ca 0.06 0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.96 3kcs s SER 21 Cb 0.06 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 3kcs s SER 21 CO -0.08 -0.14 -0.05 -0.69 1.20 0.00 0.00 173.24 173.49 3kcs s VAL 22 N 1.05 0.83 -1.19 4.45 1.01 -0.19 -0.33 120.40 126.03 3kcs s VAL 22 Ca -0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 3kcs s VAL 22 Cb -0.11 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3kcs s VAL 22 CO -0.05 0.29 0.10 0.59 0.00 0.00 0.00 175.10 176.04 3kcs n ASN 23 N 5.00 -4.23 0.00 3.32 4.13 0.34 -0.92 115.26 122.89 3kcs n ASN 23 Ca -0.11 0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.22 3kcs n ASN 23 Cb 0.50 -3.56 0.00 0.00 -1.54 0.00 0.00 39.78 35.18 3kcs n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kcs n GLY 24 N -0.92 1.37 3.64 7.41 0.00 -1.26 -5.04 105.19 110.39 3kcs n GLY 24 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3kcs n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kcs s HIS 25 N -2.31 3.22 -0.21 1.61 5.04 -0.10 -5.02 115.29 117.52 3kcs s HIS 25 Ca 0.00 1.22 -0.11 0.00 -1.54 0.00 0.00 55.06 54.63 3kcs s HIS 25 Cb 0.00 -3.48 -0.05 0.00 0.04 0.00 0.00 32.58 29.10 3kcs s HIS 25 CO 0.00 -0.64 0.18 0.08 -2.34 0.00 0.00 174.74 172.02 3kcs s VAL 26 N 3.39 5.36 0.22 0.89 1.01 -1.26 -1.02 120.40 128.99 3kcs s VAL 26 Ca 0.43 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 3kcs s VAL 26 Cb -0.13 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3kcs s VAL 26 CO 0.12 0.39 0.44 0.72 0.00 0.00 0.00 175.10 176.77 3kcs s PHE 27 N 0.67 0.29 0.03 5.22 -0.12 -0.25 -4.30 117.98 119.52 3kcs s PHE 27 Ca 0.10 -0.65 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 3kcs s PHE 27 Cb -0.12 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 3kcs s PHE 27 CO 0.02 -0.92 -0.04 -1.21 -0.05 0.00 0.00 175.22 173.02 3kcs s GLU 28 N -3.98 0.41 -0.03 1.99 2.02 -0.31 -1.23 118.70 117.56 3kcs s GLU 28 Ca 0.19 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.43 3kcs s GLU 28 Cb 0.00 0.09 0.01 0.00 0.10 0.00 0.00 34.13 34.33 3kcs s GLU 28 CO 0.05 -0.05 -0.08 0.42 0.02 0.00 0.00 175.26 175.61 3kcs s ILE 29 N -2.03 0.74 0.02 -1.63 1.01 -0.58 -0.97 121.20 117.76 3kcs s ILE 29 Ca -0.10 -0.32 0.07 0.00 0.00 0.00 0.00 60.65 60.30 3kcs s ILE 29 Cb -0.06 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.72 3kcs s ILE 29 CO -0.03 0.24 -0.22 -1.61 0.00 0.00 0.00 174.94 173.32 3kcs s GLU 30 N 0.30 1.65 0.16 2.79 2.02 -0.59 -0.76 118.70 124.28 3kcs s GLU 30 Ca -0.05 -0.90 -0.09 0.00 0.02 0.00 0.00 54.97 53.95 3kcs s GLU 30 Cb -0.09 -1.69 -0.01 0.00 0.10 0.00 0.00 34.13 32.43 3kcs s GLU 30 CO 0.01 0.45 0.28 0.20 0.02 0.00 0.00 175.26 176.21 3kcs s GLY 31 N -0.88 0.48 -0.11 -1.39 0.00 0.03 -1.11 107.32 104.34 3kcs s GLY 31 Ca 0.09 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.93 3kcs s GLY 31 CO 0.01 -0.85 -0.14 -0.54 0.00 0.00 0.00 173.10 171.58 3kcs s GLU 32 N -3.97 2.07 0.41 2.90 2.02 -0.54 -1.54 118.70 120.06 3kcs s GLU 32 Ca 0.17 -0.50 0.07 0.00 0.02 0.00 0.00 54.97 54.73 3kcs s GLU 32 Cb 0.03 -1.83 -0.08 0.00 0.10 0.00 0.00 34.13 32.36 3kcs s GLU 32 CO -0.00 -0.12 0.01 0.20 0.02 0.00 0.00 175.26 175.37 3kcs s GLY 33 N 1.15 2.52 0.09 -1.39 0.00 0.51 -0.82 107.32 109.38 3kcs s GLY 33 Ca -0.04 -2.19 -0.25 0.00 0.00 0.00 0.00 44.72 42.23 3kcs s GLY 33 CO -0.04 -2.10 0.72 -1.83 0.00 0.00 0.00 173.10 169.86 3kcs s GLU 34 N -3.73 1.09 0.00 2.90 -1.05 -0.36 -0.59 118.70 116.96 3kcs s GLU 34 Ca 0.33 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.77 3kcs s GLU 34 Cb 0.09 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 3kcs s GLU 34 CO 0.17 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.32 3kcs n GLY 35 N -0.29 -1.24 2.86 -3.83 0.00 -0.33 -0.69 105.19 101.67 3kcs n GLY 35 Ca -0.14 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 3kcs n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kcs s ARG 36 N -0.15 1.57 0.48 1.61 0.52 0.00 -1.64 118.95 121.34 3kcs s ARG 36 Ca 0.00 -2.19 0.23 0.00 -0.52 0.00 0.00 55.73 53.25 3kcs s ARG 36 Cb 0.00 -2.86 1.20 0.00 0.52 0.00 0.00 34.95 33.81 3kcs s ARG 36 CO 0.00 -1.09 1.99 -1.35 0.02 0.00 0.00 175.30 174.87 3kcs h PRO 37 N 6.85 0.00 0.00 3.54 0.11 -1.79 -0.02 132.00 140.69 3kcs h PRO 37 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3kcs h PRO 37 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3kcs h PRO 37 CO 0.58 0.19 -0.39 0.66 -0.21 0.00 0.00 178.00 178.82 3kcs n TYR 38 N -3.79 0.54 0.95 0.65 4.02 -1.26 -3.82 117.16 114.45 3kcs n TYR 38 Ca -0.02 0.16 0.11 0.00 -0.01 0.00 0.00 57.90 58.14 3kcs n TYR 38 Cb 0.29 -0.67 0.01 0.00 -0.02 0.00 0.00 39.34 38.95 3kcs n TYR 38 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3kcs n GLU 39 N -2.02 0.04 -2.27 -0.72 1.02 -0.10 -4.58 120.64 112.02 3kcs n GLU 39 Ca 0.04 -0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.11 3kcs n GLU 39 Cb 0.42 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3kcs n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kcs n GLY 40 N 1.49 0.17 3.22 0.62 0.00 -0.75 -4.62 105.19 105.31 3kcs n GLY 40 Ca 0.04 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 3kcs n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcs s THR 41 N -2.48 1.59 0.04 2.61 -4.23 -1.21 -0.32 115.64 111.64 3kcs s THR 41 Ca 0.04 -0.93 -0.25 0.00 -1.18 0.00 0.00 61.69 59.37 3kcs s THR 41 Cb -0.02 -1.34 0.06 0.00 1.34 0.00 0.00 72.50 72.55 3kcs s THR 41 CO 0.04 0.39 0.58 0.00 -0.54 0.00 0.00 174.62 175.09 3kcs s GLN 42 N -0.62 1.08 0.13 3.99 -2.07 -0.74 -0.82 119.66 120.61 3kcs s GLN 42 Ca 0.08 -0.14 0.05 0.00 -1.82 0.00 0.00 55.36 53.52 3kcs s GLN 42 Cb -0.08 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 3kcs s GLN 42 CO -0.00 -0.39 -0.12 0.95 -1.32 0.00 0.00 175.29 174.41 3kcs s THR 43 N -2.32 1.21 0.02 3.63 -4.23 0.14 -1.22 115.64 112.86 3kcs s THR 43 Ca -0.06 -1.86 -0.07 0.00 -1.18 0.00 0.00 61.69 58.52 3kcs s THR 43 Cb -0.01 -1.64 -0.00 0.00 1.34 0.00 0.00 72.50 72.19 3kcs s THR 43 CO -0.00 -0.58 0.14 0.00 -0.54 0.00 0.00 174.62 173.63 3kcs s ALA 44 N -2.70 -0.25 -0.22 3.99 0.00 -0.19 -1.22 121.76 121.17 3kcs s ALA 44 Ca 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 3kcs s ALA 44 Cb -0.01 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3kcs s ALA 44 CO 0.02 -0.27 -0.12 0.21 0.00 0.00 0.00 175.76 175.59 3kcs s LYS 45 N -1.98 2.87 -0.05 0.00 2.20 0.00 -1.14 119.74 121.65 3kcs s LYS 45 Ca -0.10 -0.93 0.02 0.00 -0.36 0.00 0.00 55.97 54.60 3kcs s LYS 45 Cb -0.04 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 3kcs s LYS 45 CO -0.01 -0.32 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.04 3kcs s LEU 46 N 1.29 2.97 -0.06 5.43 2.01 0.11 -1.46 118.68 128.98 3kcs s LEU 46 Ca 0.01 -0.12 0.04 0.00 0.01 0.00 0.00 54.13 54.08 3kcs s LEU 46 Cb -0.15 -1.64 -0.00 0.00 0.01 0.00 0.00 46.19 44.40 3kcs s LEU 46 CO -0.08 0.34 -0.19 -0.54 1.01 0.00 0.00 176.35 176.89 3kcs s LYS 47 N -0.86 2.22 -0.49 1.70 1.02 -0.26 -1.27 119.74 121.79 3kcs s LYS 47 Ca 0.13 -0.69 -0.28 0.00 0.02 0.00 0.00 55.97 55.15 3kcs s LYS 47 Cb -0.11 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 3kcs s LYS 47 CO 0.02 0.21 1.09 0.08 -0.92 0.00 0.00 175.35 175.82 3kcs s VAL 48 N 0.21 4.25 -0.13 3.17 1.01 0.18 -1.54 120.40 127.56 3kcs s VAL 48 Ca -0.10 1.04 0.22 0.00 0.00 0.00 0.00 61.98 63.14 3kcs s VAL 48 Cb -0.14 -4.58 -0.18 0.00 0.00 0.00 0.00 36.38 31.48 3kcs s VAL 48 CO 0.05 -1.01 0.73 0.35 0.00 0.00 0.00 175.10 175.22 3kcs n THR 49 N 6.71 0.34 -4.00 3.92 -2.24 -0.14 -4.69 114.28 114.18 3kcs n THR 49 Ca 0.10 -0.54 -0.14 0.00 -2.27 0.00 0.00 64.05 61.20 3kcs n THR 49 Cb 0.49 -0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.39 3kcs n THR 49 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kcs s LYS 50 N -3.41 0.21 0.00 -0.78 1.02 -1.06 -4.90 119.74 110.82 3kcs s LYS 50 Ca -0.05 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.87 3kcs s LYS 50 Cb 0.12 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 3kcs s LYS 50 CO 0.85 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 175.73 3kcs n GLY 51 N 3.12 0.78 3.83 -3.33 0.00 -1.26 -1.17 105.19 107.16 3kcs n GLY 51 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3kcs n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kcs s GLY 52 N -1.87 2.04 0.42 -0.02 0.00 -1.26 -4.15 107.32 102.47 3kcs s GLY 52 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.73 3kcs s GLY 52 CO 0.00 0.52 0.98 2.56 0.00 0.00 0.00 173.10 177.16 3kcs s PRO 53 N -4.18 4.21 0.18 2.90 0.04 -1.26 -5.13 135.00 131.75 3kcs s PRO 53 Ca 0.60 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 3kcs s PRO 53 Cb -0.12 -2.34 -0.07 0.00 0.04 0.00 0.00 34.50 32.00 3kcs s PRO 53 CO 0.36 -0.06 0.94 -0.51 0.04 0.00 0.00 177.00 177.76 3kcs s LEU 54 N -2.94 4.58 -0.26 -3.56 1.43 -1.26 -4.96 118.68 111.72 3kcs s LEU 54 Ca 0.60 1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 55.56 3kcs s LEU 54 Cb -0.14 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.68 3kcs s LEU 54 CO 0.19 0.06 1.97 -0.81 0.23 0.00 0.00 176.35 177.98 3kcs n PRO 55 N 2.09 1.66 -3.69 1.29 -0.04 -1.26 -4.86 135.00 130.19 3kcs n PRO 55 Ca -0.00 -1.31 -0.06 0.00 -0.04 0.00 0.00 63.50 62.09 3kcs n PRO 55 Cb 0.48 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 3kcs n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3kcs s PHE 56 N -1.52 -0.24 0.34 0.54 -0.12 -1.26 -4.67 117.98 111.05 3kcs s PHE 56 Ca 0.26 -0.06 -0.28 0.00 -0.05 0.00 0.00 56.93 56.79 3kcs s PHE 56 Cb 0.20 0.63 -0.10 0.00 -0.63 0.00 0.00 43.02 43.12 3kcs s PHE 56 CO -0.00 -0.89 1.28 -0.08 -0.05 0.00 0.00 175.22 175.47 3kcs s THR 57 N -3.49 2.81 0.54 -4.49 -1.32 -0.32 -4.91 115.64 104.45 3kcs s THR 57 Ca 0.09 0.79 0.41 0.00 -1.21 0.00 0.00 61.69 61.77 3kcs s THR 57 Cb -0.03 -3.50 0.43 0.00 -1.51 0.00 0.00 72.50 67.90 3kcs s THR 57 CO -0.01 0.17 2.28 -0.25 -2.21 0.00 0.00 174.62 174.61 3kcs h TRP 58 N 3.28 0.00 0.00 9.09 2.91 -1.96 -3.20 115.95 126.07 3kcs h TRP 58 Ca -0.49 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.52 3kcs h TRP 58 Cb 1.23 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.88 3kcs h TRP 58 CO 0.56 0.01 -0.06 -0.44 -1.03 0.00 0.00 178.44 177.47 3kcs h ASP 59 N 0.00 0.00 1.24 2.65 3.32 -1.94 0.12 116.42 121.81 3kcs h ASP 59 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kcs h ASP 59 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3kcs h ASP 59 CO 0.00 0.06 0.00 2.30 -1.72 0.00 0.00 179.24 179.88 3kcs n ILE 60 N -3.39 0.39 -0.08 0.35 -5.35 -1.21 -3.82 119.36 106.24 3kcs n ILE 60 Ca -0.02 -0.14 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 3kcs n ILE 60 Cb 0.20 -0.59 -0.15 0.00 -1.74 0.00 0.00 39.64 37.37 3kcs n ILE 60 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3kcs n LEU 61 N -1.95 0.59 -0.14 7.28 4.77 0.29 -4.57 117.00 123.26 3kcs n LEU 61 Ca 0.06 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.23 3kcs n LEU 61 Cb 0.38 0.22 0.46 0.00 -2.33 0.00 0.00 43.42 42.15 3kcs n LEU 61 CO 0.28 0.54 1.20 0.77 -1.33 0.00 0.00 177.39 178.85 3kcs h SER 62 N 0.00 0.46 0.21 -1.43 4.64 -1.30 -0.92 113.55 115.22 3kcs h SER 62 Ca -0.50 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kcs h SER 62 Cb 2.16 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 64.17 3kcs h SER 62 CO 0.03 0.27 0.00 -2.65 -0.87 0.00 0.00 176.83 173.61 3kcs n PRO 63 N -4.48 0.53 0.00 4.77 -0.02 -1.26 -3.10 135.00 131.43 3kcs n PRO 63 Ca 0.12 0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.75 3kcs n PRO 63 Cb 0.40 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.47 3kcs n PRO 63 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kcs n GLN 64 N -1.14 1.69 -1.85 -0.52 1.13 -0.35 -4.79 117.38 111.55 3kcs n GLN 64 Ca 0.14 -1.36 -0.37 0.00 -1.94 0.00 0.00 57.00 53.47 3kcs n GLN 64 Cb 0.13 -1.47 0.04 0.00 0.11 0.00 0.00 30.24 29.05 3kcs n GLN 64 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 3kcs n PHE 65 N 0.53 3.08 0.00 1.08 3.72 -1.18 -4.99 117.46 119.71 3kcs n PHE 65 Ca 0.12 -2.58 0.00 0.00 -0.05 0.00 0.00 57.45 54.94 3kcs n PHE 65 Cb 0.51 -1.08 0.00 0.00 -0.94 0.00 0.00 39.48 37.97 3kcs n PHE 65 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kcs n SER 69 N -0.63 0.00 0.00 4.37 2.88 -1.26 -5.02 113.62 113.96 3kcs n SER 69 Ca 0.54 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.19 3kcs n SER 69 Cb 0.42 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.47 3kcs n SER 69 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3kcs n ASN 70 N 0.00 0.00 0.28 -3.46 3.02 -1.26 -2.41 115.26 111.43 3kcs n ASN 70 Ca 0.00 -0.26 0.19 0.00 -0.03 0.00 0.00 54.58 54.48 3kcs n ASN 70 Cb 0.00 -0.19 0.94 0.00 -0.61 0.00 0.00 39.78 39.92 3kcs n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kcs h ALA 71 N 3.16 1.00 -0.82 5.41 0.00 -1.96 -2.96 119.26 123.10 3kcs h ALA 71 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3kcs h ALA 71 Cb 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.63 3kcs h ALA 71 CO 0.00 0.00 0.25 0.66 0.00 0.00 0.00 179.25 180.16 3kcs n TYR 72 N -2.86 2.69 -3.79 0.00 4.02 -1.01 -4.76 117.16 111.44 3kcs n TYR 72 Ca -0.02 -2.40 -0.36 0.00 -0.01 0.00 0.00 57.90 55.12 3kcs n TYR 72 Cb 0.12 -0.93 -0.07 0.00 -0.02 0.00 0.00 39.34 38.44 3kcs n TYR 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3kcs s VAL 73 N -4.25 5.41 -0.16 -0.72 1.01 -1.12 -3.95 120.40 116.61 3kcs s VAL 73 Ca 0.57 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3kcs s VAL 73 Cb 0.46 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3kcs s VAL 73 CO 0.02 0.50 1.32 -0.75 0.00 0.00 0.00 175.10 176.19 3kcs s LYS 74 N -0.08 4.20 0.03 2.72 2.20 -0.69 -4.69 119.74 123.43 3kcs s LYS 74 Ca 0.10 1.71 0.02 0.00 -0.36 0.00 0.00 55.97 57.44 3kcs s LYS 74 Cb -0.11 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 3kcs s LYS 74 CO -0.00 -0.76 0.02 -1.01 -0.36 0.00 0.00 175.35 173.23 3kcs s HIS 75 N 3.66 3.09 0.60 4.03 3.76 -1.26 0.11 115.29 129.28 3kcs s HIS 75 Ca 0.58 0.07 -0.20 0.00 -0.15 0.00 0.00 55.06 55.36 3kcs s HIS 75 Cb -0.23 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 3kcs s HIS 75 CO 0.17 0.48 1.29 -2.30 -0.85 0.00 0.00 174.74 173.53 3kcs n PRO 76 N 1.10 1.32 0.13 8.40 -0.02 -1.26 -4.87 135.00 139.80 3kcs n PRO 76 Ca -0.13 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 3kcs n PRO 76 Cb 0.52 -2.52 0.60 0.00 -0.02 0.00 0.00 33.50 32.09 3kcs n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kcs h ALA 77 N 0.88 2.06 -0.56 3.55 0.00 -1.98 -2.38 119.26 120.84 3kcs h ALA 77 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kcs h ALA 77 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kcs h ALA 77 CO 0.54 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.28 3kcs n ASP 78 N -4.49 3.09 -4.41 0.00 3.85 -1.26 -4.85 116.55 108.49 3kcs n ASP 78 Ca 0.02 -1.99 -0.34 0.00 -0.71 0.00 0.00 54.79 51.76 3kcs n ASP 78 Cb 0.22 -0.37 -0.13 0.00 -1.35 0.00 0.00 41.12 39.49 3kcs n ASP 78 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 3kcs s ILE 79 N -1.26 3.67 0.17 2.12 1.01 -0.90 -5.07 121.20 120.94 3kcs s ILE 79 Ca 0.39 -0.41 -0.34 0.00 0.00 0.00 0.00 60.65 60.29 3kcs s ILE 79 Cb 0.20 -2.64 -0.14 0.00 0.01 0.00 0.00 42.46 39.89 3kcs s ILE 79 CO 0.27 0.45 1.48 -2.65 0.00 0.00 0.00 174.94 174.48 3kcs n PRO 80 N 4.20 1.89 -3.18 2.79 -0.02 -1.26 -4.77 135.00 134.65 3kcs n PRO 80 Ca -0.18 0.68 -0.46 0.00 -2.02 0.00 0.00 63.50 61.53 3kcs n PRO 80 Cb 0.52 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 3kcs n PRO 80 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kcs s ASP 81 N 0.65 6.59 0.25 2.55 -1.08 -1.26 -4.56 116.67 119.82 3kcs s ASP 81 Ca 0.77 -2.25 -0.04 0.00 -0.52 0.00 0.00 52.55 50.51 3kcs s ASP 81 Cb -0.73 -2.28 0.36 0.00 -1.46 0.00 0.00 42.92 38.81 3kcs s ASP 81 CO 0.43 -0.81 1.86 0.22 0.52 0.00 0.00 175.17 177.38 3kcs h TYR 82 N 8.37 1.06 0.06 -5.34 3.20 -1.90 0.96 116.97 123.39 3kcs h TYR 82 Ca 0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3kcs h TYR 82 Cb 1.05 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3kcs h TYR 82 CO 1.02 0.54 -0.03 0.74 -1.64 0.00 0.00 178.16 178.79 3kcs h PHE 83 N 1.04 -0.08 -0.34 -3.82 0.04 -1.91 -2.31 116.94 109.57 3kcs h PHE 83 Ca 0.40 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.06 3kcs h PHE 83 Cb 0.17 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3kcs h PHE 83 CO -0.02 0.21 -0.23 0.87 -0.60 0.00 0.00 178.31 178.53 3kcs h LYS 84 N -0.37 0.66 0.00 1.51 1.57 -1.73 -2.65 116.57 115.57 3kcs h LYS 84 Ca -0.01 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3kcs h LYS 84 Cb 0.32 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3kcs h LYS 84 CO 0.01 0.83 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.62 3kcs h LEU 85 N 0.58 0.00 -0.52 2.94 3.38 -0.77 -2.65 115.31 118.26 3kcs h LEU 85 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kcs h LEU 85 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kcs h LEU 85 CO 0.05 0.04 0.00 0.77 0.09 0.00 0.00 178.44 179.40 3kcs h SER 86 N 0.00 0.00 -4.10 -0.43 4.64 -1.03 -3.46 113.55 109.17 3kcs h SER 86 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3kcs h SER 86 Cb 0.20 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3kcs h SER 86 CO 0.01 0.00 0.32 -0.36 -0.87 0.00 0.00 176.83 175.93 3kcs s PHE 87 N -3.32 3.49 -0.70 4.77 0.40 -1.00 -0.29 117.98 121.33 3kcs s PHE 87 Ca 0.06 1.33 0.26 0.00 -0.60 0.00 0.00 56.93 57.98 3kcs s PHE 87 Cb 0.09 -2.70 0.69 0.00 0.51 0.00 0.00 43.02 41.62 3kcs s PHE 87 CO 0.56 -0.37 1.67 -0.35 0.70 0.00 0.00 175.22 177.42 3kcs n PRO 88 N -1.75 0.28 -0.10 0.24 -0.04 -1.26 -4.80 135.00 127.56 3kcs n PRO 88 Ca 0.05 0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.62 3kcs n PRO 88 Cb 0.54 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3kcs n PRO 88 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kcs h GLU 89 N 0.00 0.43 0.00 0.54 3.07 -1.87 -2.35 114.58 114.40 3kcs h GLU 89 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3kcs h GLU 89 Cb 0.75 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3kcs h GLU 89 CO 0.00 0.28 0.00 0.41 -1.40 0.00 0.00 179.01 178.30 3kcs n GLY 90 N -1.19 -0.78 3.38 -3.84 0.00 0.60 -4.40 105.19 98.95 3kcs n GLY 90 Ca -0.00 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 3kcs n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kcs s PHE 91 N 0.00 -0.40 0.20 1.61 -0.12 -0.66 -1.33 117.98 117.28 3kcs s PHE 91 Ca 0.00 0.18 0.10 0.00 -0.05 0.00 0.00 56.93 57.16 3kcs s PHE 91 Cb 0.00 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 3kcs s PHE 91 CO 0.00 -0.77 -0.15 0.15 -0.05 0.00 0.00 175.22 174.39 3kcs s LYS 92 N -3.64 1.84 0.04 1.99 1.02 -0.31 -0.85 119.74 119.83 3kcs s LYS 92 Ca 0.01 -1.43 -0.00 0.00 0.02 0.00 0.00 55.97 54.57 3kcs s LYS 92 Cb 0.00 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 3kcs s LYS 92 CO -0.11 0.41 -0.03 1.67 -0.92 0.00 0.00 175.35 176.36 3kcs s TRP 93 N -1.82 0.44 -0.05 3.18 1.48 -0.31 -0.97 118.94 120.89 3kcs s TRP 93 Ca 0.24 -0.84 0.02 0.00 -1.06 0.00 0.00 56.10 54.46 3kcs s TRP 93 Cb -0.08 -0.32 0.02 0.00 -1.16 0.00 0.00 33.47 31.93 3kcs s TRP 93 CO 0.14 -0.29 -0.07 -1.21 -4.06 0.00 0.00 176.95 171.45 3kcs s GLU 94 N -2.91 1.09 0.00 3.25 2.02 -0.54 -0.98 118.70 120.63 3kcs s GLU 94 Ca -0.02 -0.22 0.03 0.00 0.02 0.00 0.00 54.97 54.79 3kcs s GLU 94 Cb 0.00 -1.00 -0.01 0.00 0.10 0.00 0.00 34.13 33.23 3kcs s GLU 94 CO -0.06 -0.02 -0.11 0.50 0.02 0.00 0.00 175.26 175.59 3kcs s ARG 95 N 0.74 0.84 -0.09 1.61 3.52 0.11 -0.75 118.95 124.93 3kcs s ARG 95 Ca -0.12 -0.45 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 3kcs s ARG 95 Cb -0.14 -0.81 0.00 0.00 -1.56 0.00 0.00 34.95 32.44 3kcs s ARG 95 CO 0.01 0.22 -0.20 0.08 -0.81 0.00 0.00 175.30 174.60 3kcs s VAL 96 N -0.40 1.78 -0.20 7.11 1.01 -0.15 -0.96 120.40 128.59 3kcs s VAL 96 Ca 0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 3kcs s VAL 96 Cb -0.05 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3kcs s VAL 96 CO -0.00 0.50 -0.06 -0.04 0.00 0.00 0.00 175.10 175.50 3kcs s MET 97 N 0.45 3.38 -0.25 2.72 -1.94 0.62 -1.34 119.30 122.95 3kcs s MET 97 Ca -0.17 -0.63 -0.05 0.00 -1.71 0.00 0.00 55.69 53.12 3kcs s MET 97 Cb -0.17 -2.95 -0.01 0.00 2.01 0.00 0.00 34.83 33.72 3kcs s MET 97 CO 0.07 -0.12 0.02 0.15 -0.01 0.00 0.00 175.02 175.12 3kcs s LYS 98 N 1.28 3.32 0.30 2.03 1.02 0.01 -0.78 119.74 126.92 3kcs s LYS 98 Ca 0.03 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.35 3kcs s LYS 98 Cb -0.14 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3kcs s LYS 98 CO -0.02 -0.28 0.49 -0.06 -0.92 0.00 0.00 175.35 174.55 3kcs s PHE 99 N 1.50 3.49 0.44 3.18 0.40 0.22 -0.92 117.98 126.29 3kcs s PHE 99 Ca 0.05 0.28 0.26 0.00 -0.60 0.00 0.00 56.93 56.92 3kcs s PHE 99 Cb -0.15 -1.83 1.45 0.00 0.51 0.00 0.00 43.02 43.00 3kcs s PHE 99 CO -0.00 0.22 2.09 1.05 0.70 0.00 0.00 175.22 179.28 3kcs h GLU 100 N 1.04 0.00 -0.65 0.44 4.11 -1.45 -1.95 114.58 116.12 3kcs h GLU 100 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3kcs h GLU 100 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3kcs h GLU 100 CO 0.62 0.11 0.00 -0.40 0.07 0.00 0.00 179.01 179.41 3kcs n ASP 101 N -3.74 4.79 0.00 3.06 3.85 -1.26 -4.90 116.55 118.35 3kcs n ASP 101 Ca -0.02 -2.69 0.00 0.00 -0.71 0.00 0.00 54.79 51.37 3kcs n ASP 101 Cb 0.22 -0.63 0.00 0.00 -1.35 0.00 0.00 41.12 39.36 3kcs n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3kcs n GLY 102 N 0.64 0.84 3.77 6.12 0.00 -0.73 -4.62 105.19 111.21 3kcs n GLY 102 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3kcs n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kcs s GLY 103 N -1.68 2.63 -0.03 -0.02 0.00 -1.18 -4.71 107.32 102.33 3kcs s GLY 103 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.57 3kcs s GLY 103 CO 0.00 1.20 -0.04 0.14 0.00 0.00 0.00 173.10 174.40 3kcs s VAL 104 N -1.77 0.47 -0.12 1.40 1.01 -0.40 -0.61 120.40 120.38 3kcs s VAL 104 Ca 0.73 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.60 3kcs s VAL 104 Cb -0.25 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3kcs s VAL 104 CO 0.28 0.18 -0.21 -0.69 0.00 0.00 0.00 175.10 174.66 3kcs s VAL 105 N 0.55 1.93 -0.07 2.92 1.01 0.04 -0.87 120.40 125.91 3kcs s VAL 105 Ca -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3kcs s VAL 105 Cb -0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3kcs s VAL 105 CO -0.00 0.53 -0.08 0.42 0.00 0.00 0.00 175.10 175.96 3kcs s THR 106 N 0.68 3.59 -0.01 3.92 -4.23 0.24 -0.27 115.64 119.56 3kcs s THR 106 Ca -0.11 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 3kcs s THR 106 Cb -0.16 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.22 3kcs s THR 106 CO 0.02 0.59 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.98 3kcs s VAL 107 N -0.75 0.22 0.03 2.29 1.01 -0.14 -1.00 120.40 122.06 3kcs s VAL 107 Ca 0.12 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.06 3kcs s VAL 107 Cb -0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 3kcs s VAL 107 CO 0.01 0.07 -0.17 0.42 0.00 0.00 0.00 175.10 175.44 3kcs s THR 108 N 0.07 1.37 -0.05 3.92 -4.23 -0.31 -0.71 115.64 115.69 3kcs s THR 108 Ca -0.00 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 3kcs s THR 108 Cb -0.03 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.63 3kcs s THR 108 CO -0.00 0.14 0.19 -1.58 -0.54 0.00 0.00 174.62 172.83 3kcs s GLN 109 N -1.03 0.31 -0.10 3.99 -0.44 -0.15 -0.83 119.66 121.41 3kcs s GLN 109 Ca 0.05 0.08 0.03 0.00 -2.50 0.00 0.00 55.36 53.02 3kcs s GLN 109 Cb -0.08 0.14 -0.01 0.00 -1.64 0.00 0.00 33.01 31.43 3kcs s GLN 109 CO 0.01 -0.06 -0.21 0.34 0.50 0.00 0.00 175.29 175.87 3kcs s ASP 110 N -0.34 3.36 -0.09 6.67 2.15 -0.07 -1.16 116.67 127.18 3kcs s ASP 110 Ca -0.04 -0.48 0.04 0.00 0.43 0.00 0.00 52.55 52.50 3kcs s ASP 110 Cb -0.03 -1.31 -0.01 0.00 -0.30 0.00 0.00 42.92 41.27 3kcs s ASP 110 CO 0.01 0.19 -0.21 -0.44 -0.17 0.00 0.00 175.17 174.54 3kcs s SER 111 N 0.19 3.33 0.22 -0.34 0.01 -0.03 -1.07 113.70 116.01 3kcs s SER 111 Ca -0.12 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.66 3kcs s SER 111 Cb -0.16 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 3kcs s SER 111 CO 0.07 0.20 0.18 -0.94 0.41 0.00 0.00 173.24 173.16 3kcs s SER 112 N 0.10 0.34 -0.23 2.44 1.04 -0.48 -1.65 113.70 115.26 3kcs s SER 112 Ca -0.10 -1.40 0.02 0.00 0.48 0.00 0.00 55.95 54.94 3kcs s SER 112 Cb -0.16 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.43 3kcs s SER 112 CO 0.06 -0.90 -0.14 -0.22 0.98 0.00 0.00 173.24 173.02 3kcs s LEU 113 N -3.18 2.86 -0.07 2.42 2.96 -0.89 -0.66 118.68 122.13 3kcs s LEU 113 Ca 0.38 -1.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.21 3kcs s LEU 113 Cb 0.06 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.28 3kcs s LEU 113 CO 0.14 -0.12 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.88 3kcs s GLN 114 N 1.20 1.23 -1.48 1.98 -0.21 -0.22 -4.82 119.66 117.34 3kcs s GLN 114 Ca -0.03 -0.21 -0.07 0.00 0.02 0.00 0.00 55.36 55.07 3kcs s GLN 114 Cb -0.17 -1.20 0.05 0.00 1.00 0.00 0.00 33.01 32.70 3kcs s GLN 114 CO -0.08 -0.11 0.67 -0.25 -2.12 0.00 0.00 175.29 173.40 3kcs n ASP 115 N 4.30 -2.09 0.00 5.90 10.43 -1.26 -2.14 116.55 131.70 3kcs n ASP 115 Ca -0.19 -0.93 0.00 0.00 2.57 0.00 0.00 54.79 56.24 3kcs n ASP 115 Cb 0.51 -3.35 0.00 0.00 1.84 0.00 0.00 41.12 40.12 3kcs n ASP 115 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3kcs n GLY 116 N -1.72 0.76 3.11 0.44 0.00 -1.26 -5.01 105.19 101.52 3kcs n GLY 116 Ca -0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 3kcs n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kcs s GLU 117 N -0.12 0.66 0.29 1.61 2.02 -0.91 -4.62 118.70 117.64 3kcs s GLU 117 Ca 0.00 -0.91 -0.26 0.00 0.02 0.00 0.00 54.97 53.81 3kcs s GLU 117 Cb 0.00 -0.42 -0.09 0.00 0.10 0.00 0.00 34.13 33.71 3kcs s GLU 117 CO 0.00 0.07 0.91 -0.06 0.02 0.00 0.00 175.26 176.21 3kcs s PHE 118 N -1.74 3.75 -0.13 1.61 0.40 -0.46 -1.05 117.98 120.35 3kcs s PHE 118 Ca -0.04 1.76 0.01 0.00 -0.60 0.00 0.00 56.93 58.06 3kcs s PHE 118 Cb -0.07 -2.89 0.02 0.00 0.51 0.00 0.00 43.02 40.58 3kcs s PHE 118 CO 0.00 0.29 -0.15 0.42 0.70 0.00 0.00 175.22 176.48 3kcs s ILE 119 N -1.50 1.57 -0.10 0.64 -1.09 0.16 -0.80 121.20 120.07 3kcs s ILE 119 Ca 0.47 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 58.26 3kcs s ILE 119 Cb -0.20 -1.45 -0.01 0.00 -1.58 0.00 0.00 42.46 39.22 3kcs s ILE 119 CO 0.25 0.46 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.92 3kcs s TYR 120 N 1.22 2.66 -0.14 3.97 2.02 0.32 -1.39 117.35 126.02 3kcs s TYR 120 Ca -0.01 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 55.94 3kcs s TYR 120 Cb -0.14 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 3kcs s TYR 120 CO -0.06 -0.26 -0.18 0.15 -1.57 0.00 0.00 175.55 173.63 3kcs s LYS 121 N 0.19 2.64 -0.04 -0.62 1.02 -0.23 -1.88 119.74 120.81 3kcs s LYS 121 Ca -0.11 -0.71 0.06 0.00 0.02 0.00 0.00 55.97 55.24 3kcs s LYS 121 Cb -0.16 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 3kcs s LYS 121 CO 0.06 -0.11 -0.24 0.08 -0.92 0.00 0.00 175.35 174.21 3kcs s VAL 122 N 1.10 1.98 -0.08 3.17 1.01 0.22 -0.90 120.40 126.90 3kcs s VAL 122 Ca -0.02 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.96 3kcs s VAL 122 Cb -0.14 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3kcs s VAL 122 CO -0.06 0.56 -0.21 -0.75 0.00 0.00 0.00 175.10 174.64 3kcs s LYS 123 N -0.28 2.60 -0.02 2.72 2.20 -0.01 -1.21 119.74 125.74 3kcs s LYS 123 Ca 0.00 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 54.88 3kcs s LYS 123 Cb -0.12 -2.04 -0.00 0.00 -1.51 0.00 0.00 37.83 34.16 3kcs s LYS 123 CO 0.02 0.18 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.93 3kcs s LEU 124 N 0.32 1.89 -0.08 5.43 0.20 -0.34 -1.16 118.68 124.95 3kcs s LEU 124 Ca -0.15 -0.18 -0.00 0.00 0.69 0.00 0.00 54.13 54.48 3kcs s LEU 124 Cb -0.17 -0.53 0.02 0.00 -0.43 0.00 0.00 46.19 45.09 3kcs s LEU 124 CO 0.07 0.09 -0.04 -0.60 -0.29 0.00 0.00 176.35 175.58 3kcs s ARG 125 N 0.01 1.04 -0.08 1.98 3.52 -0.17 -1.76 118.95 123.49 3kcs s ARG 125 Ca -0.00 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.53 3kcs s ARG 125 Cb -0.06 -1.20 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 3kcs s ARG 125 CO 0.00 -0.23 -0.12 0.20 -0.81 0.00 0.00 175.30 174.34 3kcs s GLY 126 N 1.63 1.58 0.11 8.12 0.00 0.55 -0.59 107.32 118.71 3kcs s GLY 126 Ca 0.01 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 43.79 3kcs s GLY 126 CO -0.05 -0.56 0.04 -0.51 0.00 0.00 0.00 173.10 172.03 3kcs s THR 127 N -0.41 0.13 -1.49 0.90 -4.23 -0.05 -0.51 115.64 109.99 3kcs s THR 127 Ca 0.05 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 3kcs s THR 127 Cb -0.12 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.83 3kcs s THR 127 CO 0.02 -0.60 0.00 0.59 -0.54 0.00 0.00 174.62 174.09 3kcs n ASN 128 N -0.04 -4.75 -4.70 3.99 4.13 -1.26 -1.27 115.26 111.35 3kcs n ASN 128 Ca -0.08 0.20 -0.42 0.00 1.68 0.00 0.00 54.58 55.95 3kcs n ASN 128 Cb 0.63 -3.74 -0.03 0.00 -1.54 0.00 0.00 39.78 35.10 3kcs n ASN 128 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3kcs s PHE 129 N -2.67 3.56 0.44 3.10 0.40 -1.26 -3.13 117.98 118.42 3kcs s PHE 129 Ca 0.00 1.59 -0.26 0.00 -0.60 0.00 0.00 56.93 57.66 3kcs s PHE 129 Cb 0.00 -3.20 -0.09 0.00 0.51 0.00 0.00 43.02 40.24 3kcs s PHE 129 CO 0.00 -0.32 1.42 -2.30 0.70 0.00 0.00 175.22 174.72 3kcs n PRO 130 N 4.29 2.27 0.27 0.24 -0.02 -1.26 -4.84 135.00 135.95 3kcs n PRO 130 Ca 0.07 0.81 0.15 0.00 -2.02 0.00 0.00 63.50 62.51 3kcs n PRO 130 Cb 0.49 -2.61 0.72 0.00 -0.02 0.00 0.00 33.50 32.08 3kcs n PRO 130 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3kcs h SER 131 N 2.34 0.00 -0.56 2.55 0.02 -1.99 -0.85 113.55 115.06 3kcs h SER 131 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3kcs h SER 131 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3kcs h SER 131 CO 0.61 0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 175.49 3kcs n ASP 132 N -3.31 4.33 -4.39 3.07 5.75 -1.26 -4.51 116.55 116.22 3kcs n ASP 132 Ca -0.01 -2.42 -0.27 0.00 -0.01 0.00 0.00 54.79 52.09 3kcs n ASP 132 Cb 0.28 -0.51 0.15 0.00 -1.03 0.00 0.00 41.12 40.01 3kcs n ASP 132 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3kcs s GLY 133 N -1.06 1.77 0.36 6.12 0.00 -0.32 -4.84 107.32 109.35 3kcs s GLY 133 Ca 0.46 -1.53 0.07 0.00 0.00 0.00 0.00 44.72 43.72 3kcs s GLY 133 CO 0.22 -0.85 1.89 -2.55 0.00 0.00 0.00 173.10 171.81 3kcs h PRO 134 N -1.08 0.34 0.01 2.90 0.11 -1.95 -1.68 132.00 130.66 3kcs h PRO 134 Ca -0.40 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kcs h PRO 134 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kcs h PRO 134 CO 0.38 0.45 -0.01 0.28 -0.21 0.00 0.00 178.00 178.89 3kcs h VAL 135 N 0.33 1.41 0.00 3.15 2.07 -1.94 -0.66 116.25 120.61 3kcs h VAL 135 Ca 0.07 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3kcs h VAL 135 Cb 0.38 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3kcs h VAL 135 CO 0.02 0.34 -0.04 0.24 0.02 0.00 0.00 177.57 178.15 3kcs h MET 136 N -0.59 0.00 -0.17 1.57 2.86 -1.77 -0.79 114.93 116.03 3kcs h MET 136 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kcs h MET 136 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3kcs h MET 136 CO 0.00 0.04 0.00 1.04 1.06 0.00 0.00 176.91 179.06 3kcs n GLN 137 N -3.14 2.35 -3.56 1.72 1.13 -0.64 -4.47 117.38 110.77 3kcs n GLN 137 Ca 0.01 -2.00 -0.21 0.00 -1.94 0.00 0.00 57.00 52.86 3kcs n GLN 137 Cb 0.37 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.31 3kcs n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3kcs n LYS 138 N 1.32 -7.02 0.00 -1.09 5.02 -0.85 -4.89 118.16 110.64 3kcs n LYS 138 Ca 0.16 0.80 0.12 0.00 -2.02 0.00 0.00 58.31 57.38 3kcs n LYS 138 Cb 0.58 -5.80 0.16 0.00 -0.02 0.00 0.00 35.03 29.96 3kcs n LYS 138 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kcs n LYS 139 N -4.58 0.62 -3.36 1.97 4.81 -0.31 -4.94 118.16 112.37 3kcs n LYS 139 Ca -0.13 -0.44 -0.31 0.00 -0.87 0.00 0.00 58.31 56.56 3kcs n LYS 139 Cb 0.61 -1.49 -0.05 0.00 0.02 0.00 0.00 35.03 34.12 3kcs n LYS 139 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3kcs s THR 140 N -2.68 4.94 -0.34 3.15 -4.23 -1.25 -1.03 115.64 114.19 3kcs s THR 140 Ca 0.17 0.39 0.15 0.00 -1.18 0.00 0.00 61.69 61.22 3kcs s THR 140 Cb 0.18 -3.65 0.46 0.00 1.34 0.00 0.00 72.50 70.83 3kcs s THR 140 CO 0.63 -0.16 1.03 1.15 -0.54 0.00 0.00 174.62 176.73 3kcs n MET 141 N -0.40 1.96 0.00 3.99 0.00 0.13 -4.81 117.12 117.99 3kcs n MET 141 Ca 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 57.70 54.03 3kcs n MET 141 Cb 0.53 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 32.14 3kcs n MET 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3kcs n GLY 142 N -0.28 1.32 3.75 3.17 0.00 -1.26 -4.64 105.19 107.25 3kcs n GLY 142 Ca 0.19 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 3kcs n GLY 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kcs s TRP 143 N -2.60 3.89 0.86 1.61 0.52 -1.26 -1.12 118.94 120.84 3kcs s TRP 143 Ca 0.00 1.77 -0.11 0.00 0.02 0.00 0.00 56.10 57.78 3kcs s TRP 143 Cb 0.00 -2.94 0.11 0.00 -1.15 0.00 0.00 33.47 29.49 3kcs s TRP 143 CO 0.00 0.37 1.09 -1.21 0.02 0.00 0.00 176.95 177.23 3kcs s GLU 144 N -0.68 1.56 0.51 4.98 0.41 -0.33 -4.74 118.70 120.40 3kcs s GLU 144 Ca 0.41 1.02 -0.23 0.00 -0.41 0.00 0.00 54.97 55.77 3kcs s GLU 144 Cb -0.24 -1.83 -0.07 0.00 -1.78 0.00 0.00 34.13 30.22 3kcs s GLU 144 CO 0.29 -2.09 1.27 0.00 -0.49 0.00 0.00 175.26 174.24 3kcs n ALA 145 N -3.81 1.28 -2.19 5.21 0.00 -1.26 -4.75 120.51 114.99 3kcs n ALA 145 Ca 0.08 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 3kcs n ALA 145 Cb 0.54 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 3kcs n ALA 145 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3kcs s LEU 146 N -2.55 2.50 -0.19 0.00 2.34 -0.51 -4.89 118.68 115.37 3kcs s LEU 146 Ca 0.68 -0.99 -0.00 0.00 0.06 0.00 0.00 54.13 53.88 3kcs s LEU 146 Cb -0.45 -0.07 0.05 0.00 -0.56 0.00 0.00 46.19 45.15 3kcs s LEU 146 CO 0.52 -0.46 -0.06 -0.55 -1.06 0.00 0.00 176.35 174.75 3kcs s SER 147 N -2.99 3.19 -0.23 1.48 0.15 -1.26 -0.89 113.70 113.15 3kcs s SER 147 Ca 0.11 -0.84 -0.15 0.00 0.70 0.00 0.00 55.95 55.77 3kcs s SER 147 Cb 0.05 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 3kcs s SER 147 CO -0.05 -0.19 0.37 -0.70 1.20 0.00 0.00 173.24 173.87 3kcs s GLU 148 N 1.54 4.10 -0.15 5.44 2.12 0.69 -4.73 118.70 127.72 3kcs s GLU 148 Ca -0.01 0.10 -0.24 0.00 0.36 0.00 0.00 54.97 55.18 3kcs s GLU 148 Cb -0.16 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 3kcs s GLU 148 CO -0.08 -0.13 0.77 0.50 -0.54 0.00 0.00 175.26 175.79 3kcs s ARG 149 N 1.61 4.32 -0.16 4.30 3.52 -0.59 -0.31 118.95 131.64 3kcs s ARG 149 Ca 0.16 0.93 -0.07 0.00 -0.13 0.00 0.00 55.73 56.62 3kcs s ARG 149 Cb -0.15 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 3kcs s ARG 149 CO 0.08 -0.22 0.09 -1.64 -0.81 0.00 0.00 175.30 172.80 3kcs s MET 150 N 1.77 3.79 -0.04 5.12 -1.94 0.57 -0.87 119.30 127.70 3kcs s MET 150 Ca 0.37 -0.28 -0.08 0.00 -1.71 0.00 0.00 55.69 53.99 3kcs s MET 150 Cb -0.17 -3.20 0.01 0.00 2.01 0.00 0.00 34.83 33.48 3kcs s MET 150 CO 0.14 0.44 0.20 1.52 -0.01 0.00 0.00 175.02 177.31 3kcs s TYR 151 N -0.08 -0.14 0.31 -0.03 1.13 0.51 -1.44 117.35 117.61 3kcs s TYR 151 Ca 0.08 0.30 -0.27 0.00 -1.41 0.00 0.00 57.07 55.77 3kcs s TYR 151 Cb -0.12 0.04 -0.09 0.00 -1.10 0.00 0.00 41.96 40.69 3kcs s TYR 151 CO 0.01 -0.20 1.02 -1.25 -2.51 0.00 0.00 175.55 172.61 3kcs s PRO 152 N -0.56 4.56 -0.28 -3.49 0.04 -1.26 -0.41 135.00 133.60 3kcs s PRO 152 Ca -0.06 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 3kcs s PRO 152 Cb -0.04 -2.96 0.10 0.00 0.04 0.00 0.00 34.50 31.64 3kcs s PRO 152 CO 0.01 0.21 0.74 -2.00 0.04 0.00 0.00 177.00 175.99 3kcs s GLU 153 N -1.79 0.64 -1.54 4.56 2.12 -0.02 -4.90 118.70 117.78 3kcs s GLU 153 Ca 0.48 1.15 -0.13 0.00 0.36 0.00 0.00 54.97 56.83 3kcs s GLU 153 Cb -0.25 0.19 0.09 0.00 0.26 0.00 0.00 34.13 34.42 3kcs s GLU 153 CO 0.32 -0.14 0.92 -0.25 -0.54 0.00 0.00 175.26 175.57 3kcs n ASP 154 N 4.33 -4.21 -0.17 -1.70 8.00 -1.26 -1.31 116.55 120.23 3kcs n ASP 154 Ca -0.19 -0.82 -0.02 0.00 0.71 0.00 0.00 54.79 54.46 3kcs n ASP 154 Cb 0.58 -3.70 -0.01 0.00 -0.02 0.00 0.00 41.12 37.97 3kcs n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kcs n GLY 155 N -1.65 0.52 3.51 0.44 0.00 -1.26 -5.00 105.19 101.75 3kcs n GLY 155 Ca 0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3kcs n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcs s ALA 156 N -1.85 2.75 -0.20 4.61 0.00 -0.42 -4.91 121.76 121.74 3kcs s ALA 156 Ca 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 51.96 50.21 3kcs s ALA 156 Cb 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 23.12 23.68 3kcs s ALA 156 CO 0.00 -0.27 -0.03 -1.17 0.00 0.00 0.00 175.76 174.29 3kcs s LEU 157 N -3.58 3.03 -0.06 0.00 2.96 -0.66 -0.84 118.68 119.54 3kcs s LEU 157 Ca 0.30 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3kcs s LEU 157 Cb 0.07 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 3kcs s LEU 157 CO 0.14 0.04 0.10 -0.54 -1.32 0.00 0.00 176.35 174.77 3kcs s LYS 158 N 1.15 3.22 0.08 1.98 1.02 0.45 -0.30 119.74 127.35 3kcs s LYS 158 Ca 0.02 -0.33 0.09 0.00 0.02 0.00 0.00 55.97 55.77 3kcs s LYS 158 Cb -0.15 -2.98 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 3kcs s LYS 158 CO -0.00 0.70 -0.24 0.20 -0.92 0.00 0.00 175.35 175.09 3kcs s GLY 159 N -1.38 1.37 -0.04 -3.33 0.00 0.56 -0.36 107.32 104.14 3kcs s GLY 159 Ca 0.19 -1.29 -0.05 0.00 0.00 0.00 0.00 44.72 43.58 3kcs s GLY 159 CO 0.09 -1.23 0.13 -1.83 0.00 0.00 0.00 173.10 170.26 3kcs s GLU 160 N -1.61 0.18 0.03 2.90 -1.05 -0.05 -1.10 118.70 118.00 3kcs s GLU 160 Ca 0.11 0.12 -0.26 0.00 -0.15 0.00 0.00 54.97 54.78 3kcs s GLU 160 Cb -0.10 0.08 0.06 0.00 -0.44 0.00 0.00 34.13 33.74 3kcs s GLU 160 CO 0.04 -0.03 0.61 0.54 0.95 0.00 0.00 175.26 177.37 3kcs s VAL 161 N -0.07 0.01 -0.75 1.83 0.11 -0.70 -1.54 120.40 119.29 3kcs s VAL 161 Ca -0.01 -0.08 0.04 0.00 -2.93 0.00 0.00 61.98 58.99 3kcs s VAL 161 Cb -0.02 -0.98 0.18 0.00 -1.53 0.00 0.00 36.38 34.03 3kcs s VAL 161 CO 0.00 -0.04 0.56 -0.54 -3.33 0.00 0.00 175.10 171.74 3kcs s LYS 162 N -2.12 2.64 0.67 1.54 1.02 -1.26 -0.42 119.74 121.81 3kcs s LYS 162 Ca -0.07 -3.35 -0.06 0.00 0.02 0.00 0.00 55.97 52.51 3kcs s LYS 162 Cb -0.01 -3.53 0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3kcs s LYS 162 CO 0.01 -1.28 0.98 -1.25 -0.92 0.00 0.00 175.35 172.89 3kcs s PRO 163 N -1.46 2.42 -0.02 -1.68 0.04 -1.15 -4.82 135.00 128.33 3kcs s PRO 163 Ca 0.25 -0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.14 3kcs s PRO 163 Cb -0.05 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3kcs s PRO 163 CO -0.16 -1.07 -0.07 1.03 0.04 0.00 0.00 177.00 176.77 3kcs s ARG 164 N -5.17 0.71 -0.07 4.56 0.52 -1.26 -1.82 118.95 116.42 3kcs s ARG 164 Ca 0.58 -0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 55.54 3kcs s ARG 164 Cb -0.11 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.64 3kcs s ARG 164 CO 0.45 0.08 0.07 0.54 0.02 0.00 0.00 175.30 176.47 3kcs s VAL 165 N 0.19 4.85 0.35 3.52 0.11 -0.04 -1.19 120.40 128.19 3kcs s VAL 165 Ca -0.02 -0.15 -0.27 0.00 -2.93 0.00 0.00 61.98 58.61 3kcs s VAL 165 Cb -0.07 -3.12 -0.09 0.00 -1.53 0.00 0.00 36.38 31.57 3kcs s VAL 165 CO -0.00 0.53 1.17 -0.54 -3.33 0.00 0.00 175.10 172.92 3kcs s LYS 166 N -1.22 4.28 0.06 1.54 1.02 -0.27 -1.25 119.74 123.90 3kcs s LYS 166 Ca 0.17 1.88 0.01 0.00 0.02 0.00 0.00 55.97 58.05 3kcs s LYS 166 Cb -0.12 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 3kcs s LYS 166 CO 0.07 -0.14 0.16 -0.51 -0.92 0.00 0.00 175.35 174.01 3kcs s LEU 167 N -2.09 4.17 0.34 3.17 1.43 -0.74 0.19 118.68 125.17 3kcs s LEU 167 Ca 0.52 0.18 0.26 0.00 -1.03 0.00 0.00 54.13 54.07 3kcs s LEU 167 Cb -0.32 -2.77 1.15 0.00 0.03 0.00 0.00 46.19 44.27 3kcs s LEU 167 CO 0.41 0.18 1.78 0.11 0.23 0.00 0.00 176.35 179.07 3kcs h LYS 168 N 3.22 0.00 -0.33 1.70 1.57 -1.40 -2.39 116.57 118.94 3kcs h LYS 168 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3kcs h LYS 168 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3kcs h LYS 168 CO 0.72 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.20 3kcs n ASP 169 N -2.44 2.89 0.00 0.86 5.68 -1.26 -4.98 116.55 117.30 3kcs n ASP 169 Ca 0.01 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 3kcs n ASP 169 Cb 0.21 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3kcs n ASP 169 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kcs n GLY 170 N 0.70 2.42 0.00 6.12 0.00 -0.90 -5.11 105.19 108.41 3kcs n GLY 170 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kcs n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcs n GLY 171 N -0.56 -2.66 3.27 -0.02 0.00 -1.26 -4.74 105.19 99.22 3kcs n GLY 171 Ca 0.00 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 3kcs n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kcs s HIS 172 N -0.87 1.39 -0.11 1.61 3.76 -1.26 -1.78 115.29 118.03 3kcs s HIS 172 Ca 0.00 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 3kcs s HIS 172 Cb 0.00 -0.69 0.02 0.00 1.11 0.00 0.00 32.58 33.02 3kcs s HIS 172 CO 0.00 0.16 -0.14 -0.47 -0.85 0.00 0.00 174.74 173.44 3kcs s TYR 173 N -3.08 1.87 0.08 1.40 5.04 -0.38 -4.89 117.35 117.39 3kcs s TYR 173 Ca 0.17 -0.88 0.00 0.00 -2.44 0.00 0.00 57.07 53.92 3kcs s TYR 173 Cb 0.01 -1.37 -0.04 0.00 0.35 0.00 0.00 41.96 40.91 3kcs s TYR 173 CO 0.02 -0.47 0.24 -0.51 -1.34 0.00 0.00 175.55 173.49 3kcs s ASP 174 N 1.06 6.37 0.08 4.32 1.01 -1.26 -0.86 116.67 127.39 3kcs s ASP 174 Ca -0.06 0.28 -0.03 0.00 0.71 0.00 0.00 52.55 53.46 3kcs s ASP 174 Cb -0.15 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 3kcs s ASP 174 CO -0.02 0.14 0.05 0.00 0.21 0.00 0.00 175.17 175.55 3kcs s ALA 175 N -1.56 0.45 -0.19 5.23 0.00 -0.75 -1.17 121.76 123.76 3kcs s ALA 175 Ca 0.35 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 3kcs s ALA 175 Cb -0.13 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.51 3kcs s ALA 175 CO 0.28 -0.44 -0.16 -1.21 0.00 0.00 0.00 175.76 174.23 3kcs s GLU 176 N -3.95 3.10 -0.12 0.00 2.02 -0.10 -2.93 118.70 116.73 3kcs s GLU 176 Ca 0.12 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.36 3kcs s GLU 176 Cb 0.07 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.61 3kcs s GLU 176 CO -0.06 -0.20 -0.22 0.08 0.02 0.00 0.00 175.26 174.88 3kcs s VAL 177 N 1.32 2.17 -0.10 2.63 1.01 0.45 -0.81 120.40 127.07 3kcs s VAL 177 Ca 0.05 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3kcs s VAL 177 Cb -0.13 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.41 3kcs s VAL 177 CO -0.10 0.55 -0.13 -0.54 0.00 0.00 0.00 175.10 174.89 3kcs s LYS 178 N 0.54 1.92 -0.01 2.72 1.02 -0.45 -1.73 119.74 123.74 3kcs s LYS 178 Ca -0.13 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.45 3kcs s LYS 178 Cb -0.17 -1.68 -0.01 0.00 -0.52 0.00 0.00 37.83 35.45 3kcs s LYS 178 CO 0.04 -0.09 -0.16 0.99 -0.92 0.00 0.00 175.35 175.22 3kcs s THR 179 N 1.06 1.26 -0.17 2.17 2.01 -0.25 -0.97 115.64 120.74 3kcs s THR 179 Ca -0.06 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 3kcs s THR 179 Cb -0.15 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 3kcs s THR 179 CO -0.02 0.36 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.30 3kcs s THR 180 N -0.35 3.29 -0.15 -0.82 2.01 0.07 -0.32 115.64 119.37 3kcs s THR 180 Ca 0.06 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 3kcs s THR 180 Cb -0.06 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 3kcs s THR 180 CO -0.01 0.48 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.07 3kcs s TYR 181 N 0.82 3.05 -0.13 4.92 1.51 0.59 -1.47 117.35 126.63 3kcs s TYR 181 Ca -0.03 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 3kcs s TYR 181 Cb -0.15 -1.95 0.05 0.00 -0.11 0.00 0.00 41.96 39.79 3kcs s TYR 181 CO 0.01 0.02 0.04 0.15 -1.11 0.00 0.00 175.55 174.66 3kcs s LYS 182 N 0.26 0.44 0.57 -0.62 1.02 -0.15 -1.65 119.74 119.62 3kcs s LYS 182 Ca -0.02 -0.09 -0.20 0.00 0.02 0.00 0.00 55.97 55.68 3kcs s LYS 182 Cb -0.14 -1.50 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 3kcs s LYS 182 CO 0.03 -0.50 1.26 0.00 -0.92 0.00 0.00 175.35 175.22 3kcs n ALA 183 N 5.16 1.18 0.22 5.17 0.00 -1.26 -1.16 120.51 129.81 3kcs n ALA 183 Ca -0.07 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.55 3kcs n ALA 183 Cb 0.49 -2.29 0.37 0.00 0.00 0.00 0.00 19.45 18.02 3kcs n ALA 183 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kcs h LYS 184 N 1.08 0.00 -5.70 0.00 1.57 -1.50 -3.44 116.57 108.57 3kcs h LYS 184 Ca -0.50 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.75 3kcs h LYS 184 Cb 1.32 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 3kcs h LYS 184 CO 0.55 0.20 -0.70 -1.59 -0.57 0.00 0.00 179.45 177.34 3kcs s LYS 185 N -3.46 1.59 0.07 3.15 -2.85 -1.26 -5.08 119.74 111.89 3kcs s LYS 185 Ca 0.02 -1.78 -0.31 0.00 -1.00 0.00 0.00 55.97 52.91 3kcs s LYS 185 Cb 0.09 -1.35 -0.06 0.00 -2.06 0.00 0.00 37.83 34.45 3kcs s LYS 185 CO 0.65 0.13 1.25 -1.25 0.10 0.00 0.00 175.35 176.22 3kcs s PRO 186 N -3.66 4.40 0.10 1.78 0.04 -1.26 -4.99 135.00 131.41 3kcs s PRO 186 Ca 0.29 1.85 0.04 0.00 0.04 0.00 0.00 61.00 63.22 3kcs s PRO 186 Cb 0.01 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3kcs s PRO 186 CO 0.12 -0.31 -0.10 0.14 0.04 0.00 0.00 177.00 176.90 3kcs s VAL 187 N 1.09 0.94 0.12 -0.36 -7.23 -1.26 -5.08 120.40 108.62 3kcs s VAL 187 Ca 0.60 -1.68 -0.33 0.00 -1.81 0.00 0.00 61.98 58.76 3kcs s VAL 187 Cb -0.31 -1.41 -0.13 0.00 0.56 0.00 0.00 36.38 35.09 3kcs s VAL 187 CO 0.29 -0.59 1.68 1.67 -0.31 0.00 0.00 175.10 177.84 3kcs n GLN 188 N 0.48 2.31 -3.21 4.82 -0.06 -1.26 -4.98 117.38 115.47 3kcs n GLN 188 Ca -0.15 0.84 -0.36 0.00 -2.00 0.00 0.00 57.00 55.32 3kcs n GLN 188 Cb 0.58 -2.64 -0.06 0.00 -4.06 0.00 0.00 30.24 24.06 3kcs n GLN 188 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3kcs s LEU 189 N 1.67 4.37 0.76 1.69 1.43 -1.26 -4.66 118.68 122.67 3kcs s LEU 189 Ca 0.81 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.08 3kcs s LEU 189 Cb -0.63 -3.37 0.05 0.00 0.03 0.00 0.00 46.19 42.27 3kcs s LEU 189 CO 0.39 0.09 1.13 -2.16 0.23 0.00 0.00 176.35 176.03 3kcs s PRO 190 N -1.83 2.33 0.85 1.29 0.04 -1.26 -4.91 135.00 131.50 3kcs s PRO 190 Ca 0.39 0.19 -0.12 0.00 0.04 0.00 0.00 61.00 61.51 3kcs s PRO 190 Cb -0.17 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.47 3kcs s PRO 190 CO 0.20 -1.34 1.11 0.20 0.04 0.00 0.00 177.00 177.21 3kcs s GLY 191 N -4.49 1.61 0.51 0.56 0.00 -1.26 -4.46 107.32 99.79 3kcs s GLY 191 Ca 0.60 -0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 3kcs s GLY 191 CO 0.49 0.21 1.37 0.00 0.00 0.00 0.00 173.10 175.18 3kcs s ALA 192 N -3.14 2.96 0.38 3.20 0.00 -1.26 -4.85 121.76 119.05 3kcs s ALA 192 Ca 0.62 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.82 3kcs s ALA 192 Cb -0.15 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.44 3kcs s ALA 192 CO 0.55 -1.30 0.72 1.52 0.00 0.00 0.00 175.76 177.25 3kcs s TYR 193 N -1.28 0.35 0.11 0.00 -0.85 -0.52 -4.55 117.35 110.60 3kcs s TYR 193 Ca 0.68 -0.92 0.09 0.00 -0.52 0.00 0.00 57.07 56.40 3kcs s TYR 193 Cb -0.41 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 3kcs s TYR 193 CO 0.50 -1.47 -0.20 -0.80 -1.52 0.00 0.00 175.55 172.06 3kcs s ASN 194 N -3.11 3.75 -0.22 -0.18 0.01 -0.56 -0.31 114.94 114.32 3kcs s ASN 194 Ca 0.19 -0.57 0.01 0.00 -0.71 0.00 0.00 52.86 51.77 3kcs s ASN 194 Cb -0.04 -0.49 0.03 0.00 0.41 0.00 0.00 41.25 41.16 3kcs s ASN 194 CO 0.14 0.19 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.09 3kcs s VAL 195 N -1.09 2.30 -0.17 1.60 1.01 0.58 -0.27 120.40 124.36 3kcs s VAL 195 Ca 0.17 -1.16 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 3kcs s VAL 195 Cb -0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 3kcs s VAL 195 CO 0.08 0.29 0.58 0.20 0.00 0.00 0.00 175.10 176.26 3kcs s ASN 196 N 1.24 6.68 0.02 3.32 0.01 -0.29 -0.22 114.94 125.70 3kcs s ASN 196 Ca -0.00 0.82 0.03 0.00 -0.71 0.00 0.00 52.86 53.00 3kcs s ASN 196 Cb -0.16 -2.33 -0.02 0.00 0.41 0.00 0.00 41.25 39.15 3kcs s ASN 196 CO -0.09 -0.19 -0.11 -0.13 -1.51 0.00 0.00 177.10 175.08 3kcs s ARG 197 N 1.54 0.74 -0.13 -0.60 0.52 -0.07 -0.99 118.95 119.96 3kcs s ARG 197 Ca 0.28 -0.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 3kcs s ARG 197 Cb -0.16 -0.69 0.04 0.00 0.52 0.00 0.00 34.95 34.66 3kcs s ARG 197 CO 0.11 0.17 -0.03 0.21 0.02 0.00 0.00 175.30 175.78 3kcs s LYS 198 N -0.92 1.08 -0.18 3.54 2.47 -0.21 -1.43 119.74 124.09 3kcs s LYS 198 Ca -0.01 -0.27 -0.03 0.00 -1.56 0.00 0.00 55.97 54.11 3kcs s LYS 198 Cb -0.07 -1.64 -0.01 0.00 -1.46 0.00 0.00 37.83 34.65 3kcs s LYS 198 CO 0.01 -0.40 -0.06 -1.17 0.16 0.00 0.00 175.35 173.89 3kcs s LEU 199 N 1.79 2.94 -0.01 5.43 2.96 -1.26 -1.82 118.68 128.71 3kcs s LEU 199 Ca 0.03 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3kcs s LEU 199 Cb -0.14 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3kcs s LEU 199 CO -0.07 0.07 -0.11 -1.81 -1.32 0.00 0.00 176.35 173.11 3kcs s ASP 200 N 0.95 1.25 -0.16 3.68 1.01 -0.04 -4.43 116.67 118.92 3kcs s ASP 200 Ca -0.01 -0.20 -0.29 0.00 0.71 0.00 0.00 52.55 52.77 3kcs s ASP 200 Cb -0.15 -0.14 -0.00 0.00 1.01 0.00 0.00 42.92 43.64 3kcs s ASP 200 CO 0.01 0.13 1.00 -0.63 0.21 0.00 0.00 175.17 175.88 3kcs s ILE 201 N -0.27 4.75 -0.07 0.77 1.01 -1.26 -0.68 121.20 125.45 3kcs s ILE 201 Ca 0.04 1.99 0.18 0.00 0.00 0.00 0.00 60.65 62.87 3kcs s ILE 201 Cb -0.04 -4.29 -0.27 0.00 0.01 0.00 0.00 42.46 37.86 3kcs s ILE 201 CO -0.00 -0.07 0.31 0.35 0.00 0.00 0.00 174.94 175.53 3kcs n THR 202 N 4.88 0.39 -3.43 2.92 -2.24 0.51 -4.96 114.28 112.35 3kcs n THR 202 Ca 0.10 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.21 3kcs n THR 202 Cb 0.48 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 3kcs n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kcs s SER 203 N -4.52 -0.57 -0.06 3.42 1.04 -1.13 -5.00 113.70 106.88 3kcs s SER 203 Ca -0.08 0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.12 3kcs s SER 203 Cb 0.10 0.59 0.10 0.00 0.10 0.00 0.00 66.02 66.91 3kcs s SER 203 CO 0.78 -0.94 0.84 -1.38 0.98 0.00 0.00 173.24 173.52 3kcs s HIS 204 N -3.52 -0.47 0.88 5.02 -0.00 -1.26 -0.58 115.29 115.36 3kcs s HIS 204 Ca -0.00 0.66 -0.12 0.00 -0.00 0.00 0.00 55.06 55.60 3kcs s HIS 204 Cb -0.01 0.47 0.16 0.00 -0.00 0.00 0.00 32.58 33.20 3kcs s HIS 204 CO -0.11 -0.51 1.22 0.54 -0.00 0.00 0.00 174.74 175.88 3kcs s ASN 205 N -1.58 3.64 0.35 7.38 2.20 -0.63 -4.95 114.94 121.34 3kcs s ASN 205 Ca -0.03 0.24 0.02 0.00 -0.94 0.00 0.00 52.86 52.16 3kcs s ASN 205 Cb -0.00 -0.45 0.64 0.00 -2.00 0.00 0.00 41.25 39.44 3kcs s ASN 205 CO 0.00 -2.39 2.00 -0.08 -2.94 0.00 0.00 177.10 173.69 3kcs h GLU 206 N -1.29 0.84 -0.52 3.55 4.81 -2.02 -2.14 114.58 117.80 3kcs h GLU 206 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3kcs h GLU 206 Cb 1.26 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3kcs h GLU 206 CO 0.44 0.56 0.00 -0.40 -0.73 0.00 0.00 179.01 178.87 3kcs n ASP 207 N -4.45 3.93 -2.88 1.04 3.85 -1.26 -4.96 116.55 111.82 3kcs n ASP 207 Ca 0.08 -2.30 -0.22 0.00 -0.71 0.00 0.00 54.79 51.64 3kcs n ASP 207 Cb 0.07 -0.45 0.02 0.00 -1.35 0.00 0.00 41.12 39.42 3kcs n ASP 207 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3kcs n TYR 208 N 0.83 -1.71 0.79 2.11 4.02 -0.80 -4.52 117.16 117.87 3kcs n TYR 208 Ca 0.21 0.38 0.12 0.00 -0.01 0.00 0.00 57.90 58.59 3kcs n TYR 208 Cb 0.69 -4.16 0.15 0.00 -0.02 0.00 0.00 39.34 36.00 3kcs n TYR 208 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3kcs n THR 209 N -4.30 0.12 -4.14 -0.72 -2.24 -1.26 -4.70 114.28 97.03 3kcs n THR 209 Ca -0.14 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.26 3kcs n THR 209 Cb 0.63 0.20 -0.17 0.00 -2.10 0.00 0.00 70.33 68.89 3kcs n THR 209 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kcs s ILE 210 N -3.09 1.04 -0.00 2.28 1.01 -1.26 -0.65 121.20 120.53 3kcs s ILE 210 Ca 0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 3kcs s ILE 210 Cb 0.16 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.61 3kcs s ILE 210 CO 0.74 0.36 0.00 -0.69 0.00 0.00 0.00 174.94 175.35 3kcs s VAL 211 N 1.32 -0.01 -0.05 2.92 1.01 -0.40 -1.61 120.40 123.58 3kcs s VAL 211 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3kcs s VAL 211 Cb -0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 3kcs s VAL 211 CO -0.04 0.01 -0.15 -1.61 0.00 0.00 0.00 175.10 173.31 3kcs s GLU 212 N 0.12 2.51 0.15 2.72 2.02 0.25 0.10 118.70 126.57 3kcs s GLU 212 Ca -0.01 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3kcs s GLU 212 Cb -0.01 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 3kcs s GLU 212 CO -0.00 0.59 0.03 1.14 0.02 0.00 0.00 175.26 177.04 3kcs s GLN 213 N -0.66 1.01 0.00 1.61 -2.07 -0.29 -0.36 119.66 118.90 3kcs s GLN 213 Ca 0.10 -1.48 -0.00 0.00 -1.82 0.00 0.00 55.36 52.15 3kcs s GLN 213 Cb -0.11 0.01 -0.00 0.00 -1.09 0.00 0.00 33.01 31.82 3kcs s GLN 213 CO 0.01 -0.20 0.00 -0.47 -1.32 0.00 0.00 175.29 173.31 3kcs s TYR 214 N -3.87 0.05 -0.02 9.60 5.04 0.14 -1.03 117.35 127.27 3kcs s TYR 214 Ca 0.24 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.78 3kcs s TYR 214 Cb 0.07 -0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.34 3kcs s TYR 214 CO 0.03 -0.05 -0.06 -2.00 -1.34 0.00 0.00 175.55 172.13 3kcs s GLU 215 N -0.36 0.67 -0.15 4.97 2.12 -0.36 -0.86 118.70 124.73 3kcs s GLU 215 Ca -0.04 -0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 3kcs s GLU 215 Cb -0.03 -0.66 -0.02 0.00 0.26 0.00 0.00 34.13 33.69 3kcs s GLU 215 CO -0.00 0.05 -0.10 0.50 -0.54 0.00 0.00 175.26 175.16 3kcs s ARG 216 N 0.31 3.43 -0.05 4.30 3.52 -0.75 -1.80 118.95 127.90 3kcs s ARG 216 Ca -0.04 -0.65 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 3kcs s ARG 216 Cb -0.08 -2.73 0.03 0.00 -1.56 0.00 0.00 34.95 30.61 3kcs s ARG 216 CO -0.00 0.16 0.12 0.00 -0.81 0.00 0.00 175.30 174.77 3kcs s ALA 217 N 0.52 -0.22 -0.05 6.12 0.00 0.56 -1.04 121.76 127.66 3kcs s ALA 217 Ca -0.07 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 3kcs s ALA 217 Cb -0.15 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.65 3kcs s ALA 217 CO 0.04 -0.12 0.08 -2.00 0.00 0.00 0.00 175.76 173.76 3kcs s GLU 218 N 0.86 -0.01 0.46 0.00 2.12 -0.16 -1.70 118.70 120.28 3kcs s GLU 218 Ca -0.07 0.35 -0.21 0.00 0.36 0.00 0.00 54.97 55.40 3kcs s GLU 218 Cb -0.09 -0.31 -0.09 0.00 0.26 0.00 0.00 34.13 33.89 3kcs s GLU 218 CO -0.04 -0.24 1.00 0.20 -0.54 0.00 0.00 175.26 175.65 3kcs s GLY 219 N 1.62 2.47 -0.02 -1.50 0.00 0.12 -1.14 107.32 108.87 3kcs s GLY 219 Ca -0.03 0.53 -0.09 0.00 0.00 0.00 0.00 44.72 45.13 3kcs s GLY 219 CO -0.04 0.83 0.19 0.50 0.00 0.00 0.00 173.10 174.58 3kcs s ARG 220 N -3.21 0.49 0.47 2.90 3.00 0.63 -4.26 118.95 118.97 3kcs s ARG 220 Ca 0.65 -0.23 -0.24 0.00 0.00 0.00 0.00 55.73 55.91 3kcs s ARG 220 Cb -0.14 0.21 -0.08 0.00 0.00 0.00 0.00 34.95 34.94 3kcs s ARG 220 CO 0.17 -0.12 1.24 0.72 0.00 0.00 0.00 175.30 177.32 3kcs n HIS 221 N 1.67 1.98 1.33 -0.53 8.25 -1.26 -1.49 115.22 125.16 3kcs n HIS 221 Ca -0.21 0.48 0.11 0.00 -0.26 0.00 0.00 57.72 57.84 3kcs n HIS 221 Cb 0.56 -2.34 0.63 0.00 1.12 0.00 0.00 29.99 29.96 3kcs n HIS 221 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41