#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksr s ALA 3 N 0.00 2.41 -0.18 4.31 0.00 -1.26 -2.28 121.76 124.77 3ksr s ALA 3 Ca 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.55 3ksr s ALA 3 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3ksr s ALA 3 CO 0.00 0.55 -0.02 0.21 0.00 0.00 0.00 175.76 176.50 3ksr s LYS 4 N -1.76 3.67 -0.26 0.00 2.20 0.34 -4.84 119.74 119.09 3ksr s LYS 4 Ca 0.14 -0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 55.08 3ksr s LYS 4 Cb -0.10 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 3ksr s LYS 4 CO 0.05 0.15 0.41 -0.51 -0.36 0.00 0.00 175.35 175.09 3ksr s LEU 5 N 0.62 4.05 -0.17 5.43 1.02 -1.26 -1.49 118.68 126.88 3ksr s LEU 5 Ca -0.01 0.36 0.01 0.00 0.02 0.00 0.00 54.13 54.51 3ksr s LEU 5 Cb -0.14 -2.49 0.03 0.00 0.02 0.00 0.00 46.19 43.61 3ksr s LEU 5 CO 0.02 -0.20 -0.13 -0.44 0.02 0.00 0.00 176.35 175.62 3ksr s SER 6 N 1.57 2.95 0.46 2.29 0.01 0.03 -4.96 113.70 116.06 3ksr s SER 6 Ca 0.17 -0.63 -0.23 0.00 1.31 0.00 0.00 55.95 56.56 3ksr s SER 6 Cb -0.16 -1.21 -0.07 0.00 0.21 0.00 0.00 66.02 64.79 3ksr s SER 6 CO 0.10 -0.09 1.16 -0.94 0.41 0.00 0.00 173.24 173.88 3ksr s SER 7 N 1.45 6.19 0.16 2.44 1.04 -1.26 -0.71 113.70 123.01 3ksr s SER 7 Ca 0.03 2.29 -0.03 0.00 0.48 0.00 0.00 55.95 58.72 3ksr s SER 7 Cb -0.14 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.35 3ksr s SER 7 CO -0.10 -0.90 0.14 0.27 0.98 0.00 0.00 173.24 173.63 3ksr s ILE 8 N -1.55 0.07 -0.08 -1.02 -4.36 -0.28 -4.86 121.20 109.11 3ksr s ILE 8 Ca 0.63 -1.80 0.04 0.00 -0.26 0.00 0.00 60.65 59.27 3ksr s ILE 8 Cb -0.28 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.32 3ksr s ILE 8 CO 0.34 -0.30 -0.21 -1.61 0.24 0.00 0.00 174.94 173.40 3ksr s GLU 9 N -4.06 2.63 -0.28 0.37 0.41 -1.26 -0.79 118.70 115.73 3ksr s GLU 9 Ca 0.26 -0.77 -0.01 0.00 -0.41 0.00 0.00 54.97 54.05 3ksr s GLU 9 Cb 0.06 -2.05 0.04 0.00 -1.78 0.00 0.00 34.13 30.41 3ksr s GLU 9 CO 0.04 0.17 -0.04 0.42 -0.49 0.00 0.00 175.26 175.36 3ksr s ILE 10 N 0.34 2.79 0.39 -1.63 1.01 0.14 -4.91 121.20 119.32 3ksr s ILE 10 Ca -0.16 -1.33 -0.24 0.00 0.00 0.00 0.00 60.65 58.93 3ksr s ILE 10 Cb -0.17 -2.55 -0.10 0.00 0.01 0.00 0.00 42.46 39.66 3ksr s ILE 10 CO 0.07 0.00 0.99 -2.84 0.00 0.00 0.00 174.94 173.16 3ksr s PRO 11 N 1.24 4.29 -0.29 2.79 0.02 -1.26 0.01 135.00 141.80 3ksr s PRO 11 Ca -0.04 1.36 -0.04 0.00 0.02 0.00 0.00 61.00 62.29 3ksr s PRO 11 Cb -0.19 -2.52 0.17 0.00 0.02 0.00 0.00 34.50 31.98 3ksr s PRO 11 CO -0.03 0.00 0.60 0.54 -0.33 0.00 0.00 177.00 177.78 3ksr s VAL 12 N -1.78 -0.97 0.00 3.83 0.11 -0.91 -4.92 120.40 115.76 3ksr s VAL 12 Ca 0.57 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 3ksr s VAL 12 Cb -0.18 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 3ksr s VAL 12 CO 0.23 -0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 3ksr n GLY 13 N 5.43 1.85 0.00 6.54 0.00 -1.26 -2.11 105.19 115.64 3ksr n GLY 13 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.52 3ksr n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ksr n GLN 14 N 5.84 0.13 -4.30 1.61 1.13 -1.26 -4.83 117.38 115.70 3ksr n GLN 14 Ca 0.00 0.19 -0.25 0.00 -1.94 0.00 0.00 57.00 55.01 3ksr n GLN 14 Cb 0.00 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.77 3ksr n GLN 14 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ksr s ASP 15 N -2.55 4.25 -0.04 1.08 1.01 -0.90 -5.14 116.67 114.38 3ksr s ASP 15 Ca 0.08 -1.01 -0.01 0.00 0.71 0.00 0.00 52.55 52.33 3ksr s ASP 15 Cb 0.06 -0.54 0.03 0.00 1.01 0.00 0.00 42.92 43.48 3ksr s ASP 15 CO 0.13 -0.30 0.02 -1.83 0.21 0.00 0.00 175.17 173.40 3ksr s GLU 16 N -3.76 0.19 0.25 8.23 -1.05 -1.26 -2.14 118.70 119.16 3ksr s GLU 16 Ca 0.36 0.20 -0.16 0.00 -0.15 0.00 0.00 54.97 55.22 3ksr s GLU 16 Cb 0.01 -0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 33.05 3ksr s GLU 16 CO 0.20 -0.24 0.69 -0.51 0.95 0.00 0.00 175.26 176.35 3ksr s LEU 17 N 1.63 4.22 0.22 1.83 1.43 0.10 -4.80 118.68 123.32 3ksr s LEU 17 Ca -0.01 1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 3ksr s LEU 17 Cb -0.13 -3.74 -0.08 0.00 0.03 0.00 0.00 46.19 42.27 3ksr s LEU 17 CO -0.03 -0.06 0.64 -0.55 0.23 0.00 0.00 176.35 176.58 3ksr s SER 18 N -1.96 6.83 0.38 2.29 0.15 -1.26 0.25 113.70 120.38 3ksr s SER 18 Ca 0.47 1.18 -0.13 0.00 0.70 0.00 0.00 55.95 58.17 3ksr s SER 18 Cb -0.13 -2.33 0.05 0.00 -1.71 0.00 0.00 66.02 61.89 3ksr s SER 18 CO 0.19 -0.02 0.74 -0.83 1.20 0.00 0.00 173.24 174.52 3ksr s GLY 19 N -1.96 0.57 -0.05 9.45 0.00 0.03 -4.88 107.32 110.48 3ksr s GLY 19 Ca 0.45 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 44.29 3ksr s GLY 19 CO 0.20 -0.43 -0.05 -1.59 0.00 0.00 0.00 173.10 171.23 3ksr s THR 20 N -2.38 0.55 -0.23 0.90 2.01 -1.26 -1.12 115.64 114.11 3ksr s THR 20 Ca 0.18 -0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 3ksr s THR 20 Cb -0.04 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.84 3ksr s THR 20 CO 0.13 0.23 0.14 -0.22 -0.69 0.00 0.00 174.62 174.21 3ksr s LEU 21 N 0.94 4.08 -0.23 4.42 2.96 0.11 -4.92 118.68 126.05 3ksr s LEU 21 Ca -0.11 0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.84 3ksr s LEU 21 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 3ksr s LEU 21 CO -0.00 0.09 0.10 -0.76 -1.32 0.00 0.00 176.35 174.46 3ksr s LEU 22 N 0.90 3.73 0.12 -0.68 1.02 -1.26 -0.78 118.68 121.73 3ksr s LEU 22 Ca 0.07 -0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.22 3ksr s LEU 22 Cb -0.13 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 3ksr s LEU 22 CO 0.03 0.04 -0.11 0.42 0.02 0.00 0.00 176.35 176.74 3ksr s THR 23 N 1.21 1.14 0.63 5.49 -4.23 -0.56 -4.91 115.64 114.41 3ksr s THR 23 Ca 0.05 -1.78 -0.17 0.00 -1.18 0.00 0.00 61.69 58.62 3ksr s THR 23 Cb -0.14 -1.54 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 3ksr s THR 23 CO 0.04 -0.56 1.15 -2.16 -0.54 0.00 0.00 174.62 172.55 3ksr s PRO 24 N -2.99 2.86 0.14 3.99 0.04 -1.26 0.13 135.00 137.90 3ksr s PRO 24 Ca 0.10 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 3ksr s PRO 24 Cb -0.02 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.64 3ksr s PRO 24 CO 0.01 -1.24 0.84 -0.08 0.04 0.00 0.00 177.00 176.57 3ksr s THR 25 N -2.01 0.00 -0.13 1.26 -1.32 -0.97 -4.67 115.64 107.81 3ksr s THR 25 Ca 0.71 -0.47 -0.09 0.00 -1.21 0.00 0.00 61.69 60.64 3ksr s THR 25 Cb -0.24 -1.60 0.03 0.00 -1.51 0.00 0.00 72.50 69.18 3ksr s THR 25 CO 0.37 0.00 0.18 0.61 -2.21 0.00 0.00 174.62 173.57 3ksr n GLY 26 N -0.40 -4.41 3.74 6.08 0.00 -0.49 -4.10 105.19 105.61 3ksr n GLY 26 Ca -0.08 1.29 -0.32 0.00 0.00 0.00 0.00 46.02 46.91 3ksr n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ksr s PRO 28 N -0.53 2.93 -0.08 1.61 0.05 -1.26 -4.25 135.00 133.47 3ksr s PRO 28 Ca -0.20 -0.56 0.04 0.00 0.05 0.00 0.00 61.00 60.32 3ksr s PRO 28 Cb 0.01 -2.77 -0.02 0.00 0.05 0.00 0.00 34.50 31.78 3ksr s PRO 28 CO 0.55 0.63 -0.18 0.20 0.05 0.00 0.00 177.00 178.25 3ksr s GLY 29 N -1.74 1.44 -0.15 0.56 0.00 -0.80 -1.67 107.32 104.96 3ksr s GLY 29 Ca 0.22 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.96 3ksr s GLY 29 CO 0.13 -0.55 -0.13 0.14 0.00 0.00 0.00 173.10 172.69 3ksr s VAL 30 N -0.19 2.95 -0.20 1.40 1.01 0.34 -0.68 120.40 125.04 3ksr s VAL 30 Ca -0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3ksr s VAL 30 Cb -0.13 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3ksr s VAL 30 CO 0.03 0.51 -0.01 -0.22 0.00 0.00 0.00 175.10 175.41 3ksr s LEU 31 N 0.65 3.20 -0.24 3.92 2.96 0.27 -4.35 118.68 125.09 3ksr s LEU 31 Ca -0.07 -0.22 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 3ksr s LEU 31 Cb -0.15 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3ksr s LEU 31 CO 0.02 0.07 0.11 -0.36 -1.32 0.00 0.00 176.35 174.87 3ksr s PHE 32 N 0.98 3.19 -0.21 5.38 0.40 -1.26 0.10 117.98 126.56 3ksr s PHE 32 Ca 0.01 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.23 3ksr s PHE 32 Cb -0.14 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 3ksr s PHE 32 CO 0.01 -0.11 -0.03 0.08 0.70 0.00 0.00 175.22 175.87 3ksr s VAL 33 N 1.23 3.54 0.63 -0.44 1.01 -0.51 -4.32 120.40 121.54 3ksr s VAL 33 Ca 0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 3ksr s VAL 33 Cb -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3ksr s VAL 33 CO 0.05 0.42 0.98 -1.38 0.00 0.00 0.00 175.10 175.17 3ksr s HIS 34 N 1.31 3.33 0.82 5.22 -3.43 -1.26 -2.09 115.29 119.19 3ksr s HIS 34 Ca 0.04 0.86 -0.11 0.00 -0.80 0.00 0.00 55.06 55.05 3ksr s HIS 34 Cb -0.14 -2.84 0.18 0.00 -1.43 0.00 0.00 32.58 28.35 3ksr s HIS 34 CO -0.01 -0.92 1.12 0.41 -2.00 0.00 0.00 174.74 173.35 3ksr n GLY 35 N -2.74 -0.92 3.71 -1.38 0.00 -1.18 -3.29 105.19 99.39 3ksr n GLY 35 Ca 0.05 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3ksr n GLY 35 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ksr s TRP 36 N -3.40 3.19 0.00 1.61 -0.11 -1.26 -1.78 118.94 117.19 3ksr s TRP 36 Ca 0.66 0.99 0.00 0.00 1.22 0.00 0.00 56.10 58.97 3ksr s TRP 36 Cb -0.02 -3.63 0.00 0.00 -1.50 0.00 0.00 33.47 28.32 3ksr s TRP 36 CO 0.46 -2.18 0.00 0.41 -4.62 0.00 0.00 176.95 171.01 3ksr n GLY 37 N 3.48 0.97 0.00 5.86 0.00 -1.26 -5.04 105.19 109.19 3ksr n GLY 37 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3ksr n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ksr n GLY 38 N -2.00 1.26 3.83 -0.02 0.00 -0.73 -5.10 105.19 102.42 3ksr n GLY 38 Ca 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 43.99 3ksr n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ksr s SER 39 N -1.00 -0.24 0.39 1.61 1.04 -1.26 -4.84 113.70 109.40 3ksr s SER 39 Ca 0.00 -0.55 0.25 0.00 0.48 0.00 0.00 55.95 56.14 3ksr s SER 39 Cb 0.00 0.66 1.38 0.00 0.10 0.00 0.00 66.02 68.16 3ksr s SER 39 CO 0.00 -1.21 1.77 0.06 0.98 0.00 0.00 173.24 174.84 3ksr h GLN 40 N 2.00 0.00 0.00 4.02 3.07 -1.94 -3.02 115.11 119.24 3ksr h GLN 40 Ca -0.21 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.45 3ksr h GLN 40 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.79 3ksr h GLN 40 CO 0.24 0.00 -1.09 0.45 0.09 0.00 0.00 178.83 178.52 3ksr h HIS 41 N 0.00 0.00 -0.19 0.06 -0.00 -1.95 -3.33 115.15 109.74 3ksr h HIS 41 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3ksr h HIS 41 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 3ksr h HIS 41 CO 0.00 0.32 0.13 1.12 -0.00 0.00 0.00 177.93 179.50 3ksr h HIS 42 N 0.00 0.17 -0.01 2.45 2.07 -1.96 -2.83 115.15 115.04 3ksr h HIS 42 Ca -0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 3ksr h HIS 42 Cb 1.31 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.24 3ksr h HIS 42 CO 0.00 0.10 -0.28 0.43 -3.07 0.00 0.00 177.93 175.11 3ksr n SER 43 N -4.51 0.84 0.16 3.10 7.64 -1.25 -4.44 113.62 115.16 3ksr n SER 43 Ca 0.00 -0.71 0.06 0.00 1.01 0.00 0.00 58.87 59.23 3ksr n SER 43 Cb 0.14 0.12 0.53 0.00 -1.01 0.00 0.00 64.21 63.99 3ksr n SER 43 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3ksr h LEU 44 N 0.88 0.18 -0.47 -3.43 3.38 -1.70 0.16 115.31 114.32 3ksr h LEU 44 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3ksr h LEU 44 Cb 0.49 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3ksr h LEU 44 CO 0.00 0.16 0.01 0.58 0.09 0.00 0.00 178.44 179.29 3ksr h VAL 45 N 0.20 1.26 -0.25 1.22 2.07 -1.83 -0.55 116.25 118.37 3ksr h VAL 45 Ca 0.05 -1.04 -0.19 0.00 0.82 0.00 0.00 66.70 66.35 3ksr h VAL 45 Cb 0.04 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3ksr h VAL 45 CO -0.01 0.36 -0.58 0.03 0.02 0.00 0.00 177.57 177.39 3ksr h ARG 46 N 0.68 0.81 -0.37 1.57 3.08 -1.58 -2.73 114.38 115.85 3ksr h ARG 46 Ca 0.13 -0.53 0.05 0.00 0.07 0.00 0.00 59.98 59.70 3ksr h ARG 46 Cb 0.49 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 3ksr h ARG 46 CO 0.02 1.16 0.10 0.00 -1.07 0.00 0.00 179.97 180.19 3ksr h ALA 47 N 0.72 0.41 -0.47 0.04 0.00 -0.49 -0.36 119.26 119.11 3ksr h ALA 47 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3ksr h ALA 47 Cb 1.18 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 3ksr h ALA 47 CO 0.12 -0.30 -0.12 0.00 0.00 0.00 0.00 179.25 178.96 3ksr h ARG 48 N 0.24 0.00 0.00 0.00 3.08 -1.08 -0.31 114.38 116.32 3ksr h ARG 48 Ca 0.17 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 3ksr h ARG 48 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3ksr h ARG 48 CO -0.20 0.00 -0.40 1.49 -1.07 0.00 0.00 179.97 179.78 3ksr h GLU 49 N 0.00 0.00 -0.20 0.04 4.81 -1.09 -2.10 114.58 116.04 3ksr h GLU 49 Ca 0.23 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 3ksr h GLU 49 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3ksr h GLU 49 CO -0.48 0.40 -0.46 0.00 -0.73 0.00 0.00 179.01 177.74 3ksr h ALA 50 N 1.60 0.83 -0.75 2.92 0.00 0.31 -2.58 119.26 121.58 3ksr h ALA 50 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3ksr h ALA 50 Cb 0.73 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3ksr h ALA 50 CO 0.05 0.66 0.35 0.28 0.00 0.00 0.00 179.25 180.59 3ksr h VAL 51 N 0.42 1.24 -1.13 0.00 2.07 -0.47 -1.07 116.25 117.31 3ksr h VAL 51 Ca 0.03 -0.69 0.31 0.00 0.82 0.00 0.00 66.70 67.17 3ksr h VAL 51 Cb 0.96 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3ksr h VAL 51 CO 0.09 0.29 0.77 1.23 0.02 0.00 0.00 177.57 179.96 3ksr h GLY 52 N 1.11 0.64 1.14 2.17 0.00 -1.01 0.16 103.07 107.28 3ksr h GLY 52 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3ksr h GLY 52 CO -0.03 -0.09 -0.02 1.04 0.00 0.00 0.00 176.54 177.44 3ksr n LEU 53 N -4.42 0.16 -0.05 3.11 4.77 -0.43 -4.89 117.00 115.25 3ksr n LEU 53 Ca 0.26 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3ksr n LEU 53 Cb 1.09 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3ksr n LEU 53 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3ksr n GLY 54 N 1.17 1.33 3.79 -0.72 0.00 0.55 -4.98 105.19 106.33 3ksr n GLY 54 Ca 0.18 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 3ksr n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksr s ILE 56 N -2.36 4.46 0.00 0.00 1.09 -0.67 -4.25 121.20 119.47 3ksr s ILE 56 Ca 0.39 -0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.77 3ksr s ILE 56 Cb -0.04 -2.93 0.00 0.00 -1.06 0.00 0.00 42.46 38.43 3ksr s ILE 56 CO 0.25 0.55 0.00 0.00 -0.10 0.00 0.00 174.94 175.64 3ksr s THR 59 N -0.80 0.00 0.02 0.00 -4.23 -1.26 -4.94 115.64 104.43 3ksr s THR 59 Ca 0.00 -0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.18 3ksr s THR 59 Cb 0.00 -1.08 0.09 0.00 1.34 0.00 0.00 72.50 72.84 3ksr s THR 59 CO 0.00 0.00 0.77 0.72 -0.54 0.00 0.00 174.62 175.57 3ksr s PHE 60 N -3.14 -0.47 -0.42 3.99 -0.71 -1.26 -4.98 117.98 110.98 3ksr s PHE 60 Ca 0.06 0.48 -0.23 0.00 -1.04 0.00 0.00 56.93 56.19 3ksr s PHE 60 Cb -0.01 0.51 0.02 0.00 -1.21 0.00 0.00 43.02 42.33 3ksr s PHE 60 CO -0.08 -0.63 0.78 -0.51 -1.34 0.00 0.00 175.22 173.44 3ksr s ASP 61 N -2.14 6.45 0.46 1.98 1.01 -1.26 -3.65 116.67 119.51 3ksr s ASP 61 Ca -0.00 0.03 -0.23 0.00 0.71 0.00 0.00 52.55 53.05 3ksr s ASP 61 Cb -0.01 -2.39 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 3ksr s ASP 61 CO -0.05 -0.86 1.09 0.18 0.21 0.00 0.00 175.17 175.74 3ksr n LEU 62 N 6.62 3.33 -4.73 1.23 4.77 -1.26 -4.92 117.00 122.04 3ksr n LEU 62 Ca 0.02 1.01 -0.37 0.00 -0.03 0.00 0.00 56.01 56.65 3ksr n LEU 62 Cb 0.48 -1.41 0.07 0.00 -2.33 0.00 0.00 43.42 40.23 3ksr n LEU 62 CO 0.57 -1.27 0.90 -0.13 -1.33 0.00 0.00 177.39 176.13 3ksr s ARG 63 N -2.23 2.49 0.00 3.23 0.52 -1.26 -2.19 118.95 119.51 3ksr s ARG 63 Ca 0.65 2.05 0.00 0.00 -0.52 0.00 0.00 55.73 57.91 3ksr s ARG 63 Cb -0.51 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.12 3ksr s ARG 63 CO 0.55 -1.64 0.00 0.41 0.02 0.00 0.00 175.30 174.64 3ksr n GLY 64 N 0.87 0.82 3.11 -3.53 0.00 -0.19 -4.90 105.19 101.37 3ksr n GLY 64 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3ksr n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ksr s HIS 65 N -2.91 0.97 0.00 1.61 3.76 -0.86 -3.57 115.29 114.28 3ksr s HIS 65 Ca 0.00 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3ksr s HIS 65 Cb 0.00 -0.57 0.00 0.00 1.11 0.00 0.00 32.58 33.12 3ksr s HIS 65 CO 0.00 -0.00 0.00 0.39 -0.85 0.00 0.00 174.74 174.28 3ksr n GLU 66 N 1.67 0.00 0.21 1.40 -0.58 -1.26 -1.22 120.64 120.86 3ksr n GLU 66 Ca -0.20 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.68 3ksr n GLU 66 Cb 0.55 0.00 0.73 0.00 -0.57 0.00 0.00 31.44 32.15 3ksr n GLU 66 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3ksr h GLY 67 N 0.00 0.00 -4.04 0.62 0.00 -1.95 0.23 103.07 97.93 3ksr h GLY 67 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 3ksr h GLY 67 CO 0.00 0.00 -0.89 -1.72 0.00 0.00 0.00 176.54 173.93 3ksr n TYR 68 N -2.50 2.20 0.13 5.60 4.01 -0.35 -4.77 117.16 121.47 3ksr n TYR 68 Ca -0.01 -2.14 0.13 0.00 -0.16 0.00 0.00 57.90 55.72 3ksr n TYR 68 Cb 0.09 -0.30 0.64 0.00 -0.31 0.00 0.00 39.34 39.46 3ksr n TYR 68 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ksr h ALA 69 N 2.21 2.18 0.00 -0.72 0.00 -0.82 -0.33 119.26 121.79 3ksr h ALA 69 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ksr h ALA 69 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3ksr h ALA 69 CO 0.57 -0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 3ksr n SER 70 N -4.47 0.00 0.00 0.00 3.41 -1.26 -4.67 113.62 106.62 3ksr n SER 70 Ca 0.03 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 3ksr n SER 70 Cb 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3ksr n SER 70 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3ksr n ARG 72 N 1.25 0.00 0.00 4.33 3.00 -1.23 -4.82 116.66 119.18 3ksr n ARG 72 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 3ksr n ARG 72 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.51 3ksr n ARG 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 3ksr n GLN 73 N 0.00 0.04 -0.05 -0.14 1.13 -1.26 -4.37 117.38 112.73 3ksr n GLN 73 Ca 0.00 -0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 3ksr n GLN 73 Cb 0.00 -1.51 -0.07 0.00 0.11 0.00 0.00 30.24 28.77 3ksr n GLN 73 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3ksr n SER 74 N -1.56 2.83 -4.71 1.08 3.41 -1.26 -4.79 113.62 108.61 3ksr n SER 74 Ca 0.04 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.21 3ksr n SER 74 Cb 0.35 0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 64.89 3ksr n SER 74 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3ksr n VAL 75 N -2.40 1.10 -3.90 -3.33 3.14 -1.26 -4.04 118.33 107.64 3ksr n VAL 75 Ca -0.15 -0.28 -0.21 0.00 -2.96 0.00 0.00 64.34 60.74 3ksr n VAL 75 Cb 0.78 -1.71 -0.02 0.00 -1.06 0.00 0.00 33.84 31.83 3ksr n VAL 75 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 3ksr s THR 76 N -0.15 5.10 0.39 1.55 -4.23 -1.26 -0.83 115.64 116.21 3ksr s THR 76 Ca 0.65 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 60.23 3ksr s THR 76 Cb -0.57 -3.80 0.25 0.00 1.34 0.00 0.00 72.50 69.72 3ksr s THR 76 CO 0.51 -0.31 2.02 0.03 -0.54 0.00 0.00 174.62 176.33 3ksr h ARG 77 N 1.13 0.56 -0.31 3.99 -0.00 -1.72 -1.94 114.38 116.08 3ksr h ARG 77 Ca -0.51 -0.05 0.07 0.00 -0.50 0.00 0.00 59.98 58.99 3ksr h ARG 77 Cb 1.23 -0.12 -0.08 0.00 0.00 0.00 0.00 29.97 31.00 3ksr h ARG 77 CO 0.60 0.41 -0.32 0.00 0.00 0.00 0.00 179.97 180.66 3ksr h ALA 78 N 1.69 -0.23 -0.55 0.04 0.00 -1.92 0.14 119.26 118.43 3ksr h ALA 78 Ca 0.15 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3ksr h ALA 78 Cb 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ksr h ALA 78 CO -0.03 -0.74 -0.09 1.96 0.00 0.00 0.00 179.25 180.36 3ksr h GLN 79 N -0.29 1.03 -0.21 0.00 4.20 -1.78 -0.88 115.11 117.18 3ksr h GLN 79 Ca 0.15 -0.37 -0.11 0.00 0.06 0.00 0.00 58.65 58.38 3ksr h GLN 79 Cb 0.53 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 3ksr h GLN 79 CO -0.48 1.05 -0.34 -0.91 -0.67 0.00 0.00 178.83 177.48 3ksr h ASN 80 N 0.92 0.46 -0.65 1.46 -0.26 -1.01 -1.40 115.58 115.09 3ksr h ASN 80 Ca 0.15 -0.18 -0.07 0.00 -0.56 0.00 0.00 56.30 55.64 3ksr h ASN 80 Cb 0.65 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.76 3ksr h ASN 80 CO 0.04 0.77 0.15 0.25 -1.06 0.00 0.00 177.43 177.58 3ksr h LEU 81 N 0.38 1.00 -1.21 1.61 5.85 -0.47 -1.97 115.31 120.50 3ksr h LEU 81 Ca 0.04 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.58 3ksr h LEU 81 Cb 0.79 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3ksr h LEU 81 CO 0.06 0.98 0.56 0.44 -0.34 0.00 0.00 178.44 180.14 3ksr h ASP 82 N 0.98 0.85 -0.47 1.25 5.19 -0.75 -1.48 116.42 121.98 3ksr h ASP 82 Ca 0.20 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3ksr h ASP 82 Cb 0.38 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3ksr h ASP 82 CO 0.00 0.55 0.28 0.44 -3.12 0.00 0.00 179.24 177.40 3ksr h ASP 83 N 0.97 0.57 -0.36 6.45 3.32 -0.76 -0.96 116.42 125.65 3ksr h ASP 83 Ca 0.36 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 3ksr h ASP 83 Cb 0.19 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3ksr h ASP 83 CO -0.13 0.46 -0.19 0.40 -1.72 0.00 0.00 179.24 178.07 3ksr h ILE 84 N 0.63 1.28 -0.81 0.35 2.04 -0.85 -1.01 117.51 119.13 3ksr h ILE 84 Ca 0.17 -1.31 0.07 0.00 1.00 0.00 0.00 64.86 64.79 3ksr h ILE 84 Cb 0.00 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 3ksr h ILE 84 CO -0.03 0.43 0.48 0.11 0.00 0.00 0.00 178.15 179.15 3ksr h LYS 85 N 0.56 0.84 -0.16 2.37 1.57 -1.22 0.11 116.57 120.64 3ksr h LYS 85 Ca 0.08 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3ksr h LYS 85 Cb 0.73 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3ksr h LYS 85 CO 0.06 0.55 0.00 0.00 -0.57 0.00 0.00 179.45 179.49 3ksr h ALA 86 N 1.41 0.22 0.29 3.86 0.00 -0.71 -0.29 119.26 124.04 3ksr h ALA 86 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ksr h ALA 86 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ksr h ALA 86 CO -0.20 -0.08 -0.15 0.00 0.00 0.00 0.00 179.25 178.82 3ksr h ALA 87 N 0.77 -0.41 -0.36 0.00 0.00 -1.03 -1.30 119.26 116.93 3ksr h ALA 87 Ca 0.05 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ksr h ALA 87 Cb 0.37 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 3ksr h ALA 87 CO 0.01 -0.73 -0.40 -0.92 0.00 0.00 0.00 179.25 177.20 3ksr h TYR 88 N -0.42 -1.15 -0.91 0.00 5.03 -0.68 0.20 116.97 119.05 3ksr h TYR 88 Ca -0.04 0.06 0.08 0.00 2.58 0.00 0.00 58.73 61.42 3ksr h TYR 88 Cb 0.33 0.56 -0.07 0.00 1.55 0.00 0.00 36.73 39.09 3ksr h TYR 88 CO -0.07 -0.43 0.56 -0.44 -1.32 0.00 0.00 178.16 176.46 3ksr h ASP 89 N -0.33 0.86 -0.06 -2.11 3.32 -0.86 0.19 116.42 117.43 3ksr h ASP 89 Ca 0.14 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 3ksr h ASP 89 Cb 0.58 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3ksr h ASP 89 CO -0.54 0.51 -0.22 -0.61 -1.72 0.00 0.00 179.24 176.67 3ksr h GLN 90 N 0.97 0.46 -0.03 3.56 4.15 -0.26 -1.52 115.11 122.44 3ksr h GLN 90 Ca 0.42 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.63 3ksr h GLN 90 Cb 0.30 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3ksr h GLN 90 CO -0.21 0.66 -0.17 1.25 -1.93 0.00 0.00 178.83 178.42 3ksr h LEU 91 N 0.42 0.21 -0.85 -2.39 5.85 0.51 -3.26 115.31 115.80 3ksr h LEU 91 Ca 0.07 -0.67 0.01 0.00 0.84 0.00 0.00 57.88 58.13 3ksr h LEU 91 Cb 0.61 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3ksr h LEU 91 CO 0.04 0.84 0.56 0.00 -0.34 0.00 0.00 178.44 179.55 3ksr h ALA 92 N 0.37 1.07 0.00 1.25 0.00 -0.66 -2.77 119.26 118.52 3ksr h ALA 92 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ksr h ALA 92 Cb 0.84 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ksr h ALA 92 CO 0.04 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 3ksr n SER 93 N -4.50 0.00 -4.74 0.00 3.41 -0.58 -4.28 113.62 102.94 3ksr n SER 93 Ca 0.09 0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 3ksr n SER 93 Cb 0.01 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3ksr n SER 93 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ksr s LEU 94 N -2.58 4.40 0.33 1.04 1.43 -1.05 -4.93 118.68 117.32 3ksr s LEU 94 Ca 0.16 2.57 0.04 0.00 -1.03 0.00 0.00 54.13 55.87 3ksr s LEU 94 Cb 0.11 -3.62 0.65 0.00 0.03 0.00 0.00 46.19 43.36 3ksr s LEU 94 CO 0.26 -0.64 1.93 -0.65 0.23 0.00 0.00 176.35 177.48 3ksr h PRO 95 N 5.21 0.86 -0.00 1.29 0.11 -1.91 -1.90 132.00 135.65 3ksr h PRO 95 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ksr h PRO 95 Cb 1.22 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ksr h PRO 95 CO 0.78 0.57 -0.07 2.48 -0.21 0.00 0.00 178.00 181.55 3ksr n TYR 96 N -4.49 0.00 -4.06 0.65 4.11 -1.26 -4.41 117.16 107.70 3ksr n TYR 96 Ca 0.13 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.66 3ksr n TYR 96 Cb 0.23 -0.15 -0.08 0.00 -0.00 0.00 0.00 39.34 39.35 3ksr n TYR 96 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3ksr s VAL 97 N -2.36 5.03 -0.56 -3.48 1.01 -0.72 -1.39 120.40 117.94 3ksr s VAL 97 Ca 0.33 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 3ksr s VAL 97 Cb 0.20 -3.17 0.06 0.00 0.00 0.00 0.00 36.38 33.47 3ksr s VAL 97 CO 0.44 0.60 0.80 -0.62 0.00 0.00 0.00 175.10 176.33 3ksr s ASP 98 N -0.86 6.25 0.60 3.32 2.15 -1.26 -4.67 116.67 122.20 3ksr s ASP 98 Ca 0.13 -0.79 0.29 0.00 0.43 0.00 0.00 52.55 52.61 3ksr s ASP 98 Cb -0.12 -2.36 1.48 0.00 -0.30 0.00 0.00 42.92 41.61 3ksr s ASP 98 CO 0.03 -1.13 1.88 0.00 -0.17 0.00 0.00 175.17 175.78 3ksr h ALA 99 N 9.23 2.07 0.00 3.66 0.00 -1.91 0.36 119.26 132.67 3ksr h ALA 99 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ksr h ALA 99 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ksr h ALA 99 CO 1.06 -0.68 0.00 0.72 0.00 0.00 0.00 179.25 180.35 3ksr n HIS 100 N -3.58 0.00 -3.14 0.00 8.25 -1.26 -4.15 115.22 111.34 3ksr n HIS 100 Ca 0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 3ksr n HIS 100 Cb 0.64 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.71 3ksr n HIS 100 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ksr n SER 101 N -0.68 -0.01 -4.42 0.41 7.64 0.13 -4.76 113.62 111.94 3ksr n SER 101 Ca 0.08 -2.84 -0.34 0.00 1.01 0.00 0.00 58.87 56.78 3ksr n SER 101 Cb 0.04 -0.36 -0.13 0.00 -1.01 0.00 0.00 64.21 62.74 3ksr n SER 101 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ksr s ILE 102 N -1.26 3.53 -0.05 0.44 -1.09 -1.26 -1.90 121.20 119.61 3ksr s ILE 102 Ca 0.36 -0.47 -0.15 0.00 -2.23 0.00 0.00 60.65 58.15 3ksr s ILE 102 Cb 0.22 -2.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.50 3ksr s ILE 102 CO -0.11 0.48 0.39 0.00 -1.23 0.00 0.00 174.94 174.47 3ksr s ALA 103 N 0.65 3.65 -0.12 9.38 0.00 0.15 -1.29 121.76 134.18 3ksr s ALA 103 Ca -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 3ksr s ALA 103 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 3ksr s ALA 103 CO 0.02 0.34 -0.11 0.08 0.00 0.00 0.00 175.76 176.10 3ksr s VAL 104 N -0.53 3.24 -0.36 0.00 1.01 -0.65 -0.57 120.40 122.54 3ksr s VAL 104 Ca 0.23 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3ksr s VAL 104 Cb -0.16 -2.36 0.10 0.00 0.00 0.00 0.00 36.38 33.97 3ksr s VAL 104 CO 0.11 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.13 3ksr s VAL 105 N 0.17 2.14 -0.01 2.92 1.01 0.12 -0.90 120.40 125.85 3ksr s VAL 105 Ca -0.06 -2.35 0.04 0.00 0.00 0.00 0.00 61.98 59.61 3ksr s VAL 105 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3ksr s VAL 105 CO 0.04 -0.63 -0.10 -0.83 0.00 0.00 0.00 175.10 173.58 3ksr s GLY 106 N 0.85 1.68 -0.13 4.51 0.00 -0.35 -1.42 107.32 112.45 3ksr s GLY 106 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3ksr s GLY 106 CO -0.09 -0.88 -0.14 -2.27 0.00 0.00 0.00 173.10 169.72 3ksr s LEU 107 N -1.25 2.63 0.00 0.66 2.96 -0.89 -0.86 118.68 121.94 3ksr s LEU 107 Ca 0.15 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 3ksr s LEU 107 Cb -0.11 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3ksr s LEU 107 CO 0.05 0.15 0.00 -1.54 -1.32 0.00 0.00 176.35 173.69 3ksr n SER 108 N 3.63 0.00 -0.22 3.68 3.41 -0.68 -0.08 113.62 123.37 3ksr n SER 108 Ca -0.18 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.44 3ksr n SER 108 Cb 0.53 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.58 3ksr n SER 108 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3ksr h TYR 109 N 0.00 -0.10 -0.86 7.33 3.20 -1.87 0.14 116.97 124.81 3ksr h TYR 109 Ca 0.00 0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.99 3ksr h TYR 109 Cb 0.00 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 3ksr h TYR 109 CO 0.00 -0.21 0.56 0.78 -1.64 0.00 0.00 178.16 177.66 3ksr h GLY 110 N 0.09 1.24 1.02 1.82 0.00 -0.48 -2.18 103.07 104.59 3ksr h GLY 110 Ca 0.34 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3ksr h GLY 110 CO -0.59 0.28 0.13 -1.33 0.00 0.00 0.00 176.54 175.03 3ksr h GLY 111 N 0.96 1.02 0.82 4.60 0.00 -0.42 -0.13 103.07 109.93 3ksr h GLY 111 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3ksr h GLY 111 CO -0.14 0.61 -0.15 -1.82 0.00 0.00 0.00 176.54 175.05 3ksr h TYR 112 N 0.86 -0.38 -0.26 5.60 3.20 -0.82 -0.73 116.97 124.45 3ksr h TYR 112 Ca 0.18 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3ksr h TYR 112 Cb 0.37 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3ksr h TYR 112 CO 0.03 -0.22 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.15 3ksr h LEU 113 N -0.32 0.41 -0.31 2.82 3.38 -1.34 -2.10 115.31 117.85 3ksr h LEU 113 Ca 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3ksr h LEU 113 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ksr h LEU 113 CO -0.04 0.55 0.04 0.28 0.09 0.00 0.00 178.44 179.36 3ksr h SER 114 N 0.40 0.51 -0.49 -0.43 0.02 -0.74 0.24 113.55 113.05 3ksr h SER 114 Ca 0.08 -0.27 0.09 0.00 -0.84 0.00 0.00 61.79 60.85 3ksr h SER 114 Cb 0.43 -0.13 -0.10 0.00 0.14 0.00 0.00 62.40 62.74 3ksr h SER 114 CO 0.02 0.65 -0.30 0.00 -1.14 0.00 0.00 176.83 176.06 3ksr h ALA 115 N 0.88 -0.05 -0.45 3.77 0.00 -0.69 -1.21 119.26 121.51 3ksr h ALA 115 Ca 0.09 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3ksr h ALA 115 Cb 0.36 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3ksr h ALA 115 CO 0.01 -0.66 0.25 -0.07 0.00 0.00 0.00 179.25 178.77 3ksr h LEU 116 N -0.19 0.38 -0.98 0.00 3.38 -1.01 -2.63 115.31 114.27 3ksr h LEU 116 Ca 0.21 0.01 0.34 0.00 0.09 0.00 0.00 57.88 58.53 3ksr h LEU 116 Cb 0.53 -0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.05 3ksr h LEU 116 CO -0.60 0.27 0.40 0.25 0.09 0.00 0.00 178.44 178.86 3ksr h LEU 117 N 0.50 0.16 -2.01 1.67 5.85 0.72 -1.29 115.31 120.91 3ksr h LEU 117 Ca 0.19 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 3ksr h LEU 117 Cb 0.06 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3ksr h LEU 117 CO -0.11 -0.30 -0.07 0.71 -0.34 0.00 0.00 178.44 178.33 3ksr h THR 118 N 0.12 0.84 0.00 1.05 1.35 -1.17 0.14 112.91 115.24 3ksr h THR 118 Ca 0.73 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 66.31 3ksr h THR 118 Cb 1.73 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 3ksr h THR 118 CO -0.74 0.07 0.00 0.54 -0.25 0.00 0.00 175.52 175.14 3ksr n ARG 119 N -4.14 0.08 0.00 4.72 3.00 -0.49 -3.80 116.66 116.04 3ksr n ARG 119 Ca -0.03 0.16 0.00 0.00 -0.01 0.00 0.00 57.85 57.97 3ksr n ARG 119 Cb 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.12 3ksr n ARG 119 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3ksr n GLU 120 N -1.44 4.00 -3.89 5.56 1.02 -0.09 -5.08 120.64 120.72 3ksr n GLU 120 Ca 0.06 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.09 3ksr n GLU 120 Cb 0.20 -0.31 -0.10 0.00 -0.02 0.00 0.00 31.44 31.21 3ksr n GLU 120 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ksr s ARG 121 N -0.57 0.53 -0.16 3.49 1.81 -0.46 -5.12 118.95 118.46 3ksr s ARG 121 Ca 0.00 -0.55 -0.29 0.00 -1.72 0.00 0.00 55.73 53.17 3ksr s ARG 121 Cb 0.00 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.69 3ksr s ARG 121 CO 0.00 -0.13 1.40 -2.14 -0.68 0.00 0.00 175.30 173.75 3ksr s PRO 122 N -1.89 4.12 -0.27 3.54 0.02 -1.26 -4.40 135.00 134.85 3ksr s PRO 122 Ca -0.11 1.73 0.02 0.00 0.02 0.00 0.00 61.00 62.66 3ksr s PRO 122 Cb -0.05 -3.86 0.07 0.00 0.02 0.00 0.00 34.50 30.68 3ksr s PRO 122 CO -0.01 -0.87 -0.02 0.08 -0.33 0.00 0.00 177.00 175.86 3ksr s VAL 123 N 3.95 1.72 0.18 3.83 1.01 -1.26 -4.67 120.40 125.16 3ksr s VAL 123 Ca 0.61 -1.58 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3ksr s VAL 123 Cb -0.24 -2.07 0.09 0.00 0.00 0.00 0.00 36.38 34.16 3ksr s VAL 123 CO 0.21 -0.29 1.71 -0.33 0.00 0.00 0.00 175.10 176.40 3ksr h GLU 124 N 7.86 1.00 -4.41 2.72 4.39 -1.49 -3.42 114.58 121.24 3ksr h GLU 124 Ca -0.14 -0.22 -0.39 0.00 0.34 0.00 0.00 59.36 58.95 3ksr h GLU 124 Cb 1.05 -0.14 -0.30 0.00 -0.10 0.00 0.00 28.75 29.25 3ksr h GLU 124 CO 0.45 0.88 -0.77 -1.58 -1.16 0.00 0.00 179.01 176.83 3ksr s TRP 125 N -5.39 0.73 -0.10 4.33 0.51 -1.20 -2.42 118.94 115.39 3ksr s TRP 125 Ca -0.12 -0.16 -0.00 0.00 -2.12 0.00 0.00 56.10 53.69 3ksr s TRP 125 Cb 0.13 -0.53 0.02 0.00 -0.81 0.00 0.00 33.47 32.29 3ksr s TRP 125 CO 0.82 -0.07 -0.07 -1.17 -0.51 0.00 0.00 176.95 175.94 3ksr s LEU 126 N 0.18 1.17 -0.20 2.99 2.96 -0.38 -1.64 118.68 123.76 3ksr s LEU 126 Ca -0.02 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3ksr s LEU 126 Cb -0.07 -0.80 0.02 0.00 0.50 0.00 0.00 46.19 45.85 3ksr s LEU 126 CO 0.00 -0.11 -0.18 0.00 -1.32 0.00 0.00 176.35 174.74 3ksr s ALA 127 N 1.64 2.39 -0.18 5.97 0.00 -0.07 -1.20 121.76 130.31 3ksr s ALA 127 Ca 0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 3ksr s ALA 127 Cb -0.13 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.72 3ksr s ALA 127 CO -0.07 -0.49 -0.14 -0.51 0.00 0.00 0.00 175.76 174.55 3ksr s LEU 128 N 1.27 2.47 -0.33 0.00 1.43 0.05 -1.21 118.68 122.36 3ksr s LEU 128 Ca 0.03 -0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 3ksr s LEU 128 Cb -0.14 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3ksr s LEU 128 CO -0.11 0.02 0.15 -0.60 0.23 0.00 0.00 176.35 176.04 3ksr s ARG 129 N 1.19 3.00 -1.32 1.70 3.52 -0.03 -1.88 118.95 125.12 3ksr s ARG 129 Ca 0.02 -0.94 -0.07 0.00 -0.13 0.00 0.00 55.73 54.60 3ksr s ARG 129 Cb -0.14 -3.56 -0.00 0.00 -1.56 0.00 0.00 34.95 29.69 3ksr s ARG 129 CO -0.06 -0.56 0.53 0.43 -0.81 0.00 0.00 175.30 174.84 3ksr n SER 130 N 4.93 -1.83 -4.76 -2.12 7.64 -0.41 -1.69 113.62 115.39 3ksr n SER 130 Ca -0.13 -1.02 -0.41 0.00 1.01 0.00 0.00 58.87 58.32 3ksr n SER 130 Cb 0.47 -3.10 -0.02 0.00 -1.01 0.00 0.00 64.21 60.56 3ksr n SER 130 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3ksr s PRO 131 N -6.43 4.28 0.71 1.43 0.04 -1.26 -2.55 135.00 131.22 3ksr s PRO 131 Ca 0.15 2.31 -0.11 0.00 0.04 0.00 0.00 61.00 63.39 3ksr s PRO 131 Cb -0.06 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.43 3ksr s PRO 131 CO 0.88 -0.35 1.07 0.00 0.04 0.00 0.00 177.00 178.65 3ksr s ALA 132 N -0.59 2.55 0.00 8.56 0.00 -0.62 -4.87 121.76 126.79 3ksr s ALA 132 Ca 0.54 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.73 3ksr s ALA 132 Cb -0.42 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 3ksr s ALA 132 CO 0.50 -1.36 -0.14 -0.51 0.00 0.00 0.00 175.76 174.25 3ksr s LEU 133 N -5.56 2.06 0.09 0.00 1.43 -1.26 -4.36 118.68 111.08 3ksr s LEU 133 Ca 0.60 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3ksr s LEU 133 Cb -0.15 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3ksr s LEU 133 CO 0.53 0.14 -0.06 -0.31 0.23 0.00 0.00 176.35 176.88 3ksr s TYR 134 N -0.45 0.82 0.34 0.29 1.51 -1.26 -4.89 117.35 113.71 3ksr s TYR 134 Ca 0.05 -0.87 -0.27 0.00 -1.01 0.00 0.00 57.07 54.96 3ksr s TYR 134 Cb -0.06 -0.49 -0.09 0.00 -0.11 0.00 0.00 41.96 41.21 3ksr s TYR 134 CO -0.00 -0.16 1.11 0.15 -1.11 0.00 0.00 175.55 175.54 3ksr s LYS 135 N -3.53 4.38 0.52 -0.62 1.02 -1.26 -4.91 119.74 115.33 3ksr s LYS 135 Ca 0.08 1.76 0.24 0.00 0.02 0.00 0.00 55.97 58.08 3ksr s LYS 135 Cb 0.03 -2.91 1.35 0.00 -0.52 0.00 0.00 37.83 35.78 3ksr s LYS 135 CO -0.05 -0.01 1.98 -0.44 -0.92 0.00 0.00 175.35 175.91 3ksr h ASP 136 N 3.21 0.06 -2.98 2.83 3.32 -1.99 -3.44 116.42 117.44 3ksr h ASP 136 Ca -0.48 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 55.99 3ksr h ASP 136 Cb 1.22 -0.01 0.12 0.00 0.22 0.00 0.00 39.33 40.88 3ksr h ASP 136 CO 0.65 0.03 0.22 0.00 -1.72 0.00 0.00 179.24 178.42 3ksr n ALA 137 N -2.63 0.30 -2.89 3.45 0.00 -1.26 -3.85 120.51 113.62 3ksr n ALA 137 Ca 0.11 0.29 -0.11 0.00 0.00 0.00 0.00 53.44 53.73 3ksr n ALA 137 Cb 0.61 -2.10 0.05 0.00 0.00 0.00 0.00 19.45 18.01 3ksr n ALA 137 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ksr n HIS 138 N -0.18 -1.35 -0.23 0.00 8.25 -1.26 -4.95 115.22 115.49 3ksr n HIS 138 Ca 0.09 0.55 0.03 0.00 -0.26 0.00 0.00 57.72 58.13 3ksr n HIS 138 Cb 0.37 -3.69 0.15 0.00 1.12 0.00 0.00 29.99 27.94 3ksr n HIS 138 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3ksr h TRP 139 N -1.20 0.30 -0.37 4.41 2.91 -1.91 -2.15 115.95 117.93 3ksr h TRP 139 Ca -0.34 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.72 3ksr h TRP 139 Cb 1.20 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 3ksr h TRP 139 CO 0.26 -0.03 0.00 -0.25 -1.03 0.00 0.00 178.44 177.40 3ksr n ASP 140 N -5.11 2.23 -4.85 2.65 8.00 -1.26 -3.72 116.55 114.49 3ksr n ASP 140 Ca 0.12 -2.06 -0.32 0.00 0.71 0.00 0.00 54.79 53.24 3ksr n ASP 140 Cb 0.39 -0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 41.14 3ksr n ASP 140 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ksr s GLN 141 N -1.54 3.97 0.02 -1.24 -1.52 -0.81 -4.90 119.66 113.65 3ksr s GLN 141 Ca 0.26 0.77 -0.38 0.00 -1.95 0.00 0.00 55.36 54.06 3ksr s GLN 141 Cb 0.14 -2.30 -0.17 0.00 -0.22 0.00 0.00 33.01 30.46 3ksr s GLN 141 CO 0.16 -0.03 1.33 -2.30 -0.25 0.00 0.00 175.29 174.20 3ksr n PRO 142 N -0.95 0.89 0.21 2.91 -0.02 -1.26 -4.17 135.00 132.61 3ksr n PRO 142 Ca 0.05 0.32 0.07 0.00 -2.02 0.00 0.00 63.50 61.91 3ksr n PRO 142 Cb 0.54 -1.94 0.57 0.00 -0.02 0.00 0.00 33.50 32.65 3ksr n PRO 142 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3ksr h LYS 143 N 4.48 0.09 -0.34 -0.52 5.09 -1.23 -0.68 116.57 123.45 3ksr h LYS 143 Ca -0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.24 3ksr h LYS 143 Cb 1.35 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.65 3ksr h LYS 143 CO 0.77 0.11 0.17 -0.39 -2.09 0.00 0.00 179.45 178.02 3ksr h VAL 144 N 0.09 1.12 -0.22 0.07 -1.51 -1.83 -0.74 116.25 113.23 3ksr h VAL 144 Ca 0.02 -0.31 0.06 0.00 -1.23 0.00 0.00 66.70 65.25 3ksr h VAL 144 Cb 0.08 0.67 -0.01 0.00 -2.13 0.00 0.00 31.29 29.90 3ksr h VAL 144 CO 0.00 0.13 0.17 0.77 -1.23 0.00 0.00 177.57 177.41 3ksr h SER 145 N 0.47 0.00 -0.45 4.19 4.64 -1.46 -2.13 113.55 118.81 3ksr h SER 145 Ca 0.12 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 3ksr h SER 145 Cb 0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3ksr h SER 145 CO -0.02 0.00 0.13 -0.07 -0.87 0.00 0.00 176.83 176.00 3ksr h LEU 146 N 0.00 0.66 -0.27 5.97 4.07 -1.19 -2.42 115.31 122.12 3ksr h LEU 146 Ca 0.10 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.85 3ksr h LEU 146 Cb 0.44 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3ksr h LEU 146 CO -0.00 0.70 0.00 0.78 -1.08 0.00 0.00 178.44 178.84 3ksr h ASN 147 N 0.59 0.00 -0.32 -0.43 4.21 -1.50 -3.07 115.58 115.05 3ksr h ASN 147 Ca 0.14 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.65 3ksr h ASN 147 Cb 0.28 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 3ksr h ASN 147 CO -0.00 0.00 0.19 0.00 -1.29 0.00 0.00 177.43 176.33 3ksr h ALA 148 N 2.41 0.41 -1.60 -0.83 0.00 -0.89 -3.42 119.26 115.34 3ksr h ALA 148 Ca 0.00 -0.05 -0.63 0.00 0.00 0.00 0.00 54.91 54.23 3ksr h ALA 148 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ksr h ALA 148 CO 0.00 -0.09 1.44 -3.47 0.00 0.00 0.00 179.25 177.13 3ksr n ASP 149 N -4.83 2.79 0.24 0.00 2.03 -1.16 -4.84 116.55 110.77 3ksr n ASP 149 Ca -0.01 0.34 0.09 0.00 0.52 0.00 0.00 54.79 55.73 3ksr n ASP 149 Cb 0.05 -1.42 0.59 0.00 -0.72 0.00 0.00 41.12 39.63 3ksr n ASP 149 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ksr h PRO 150 N 13.56 0.00 0.00 -0.67 0.13 -1.88 -2.13 132.00 141.01 3ksr h PRO 150 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3ksr h PRO 150 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3ksr h PRO 150 CO 0.98 0.18 0.00 -3.47 -0.23 0.00 0.00 178.00 175.47 3ksr n ASP 151 N -3.91 0.29 -1.24 1.44 2.03 -1.26 -4.48 116.55 109.42 3ksr n ASP 151 Ca -0.02 0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.91 3ksr n ASP 151 Cb 0.27 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.01 3ksr n ASP 151 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3ksr n LEU 152 N -1.87 0.00 0.00 -2.67 7.94 -0.80 -2.01 117.00 117.58 3ksr n LEU 152 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3ksr n LEU 152 Cb 0.05 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.00 3ksr n LEU 152 CO 0.07 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.68 3ksr n ASP 154 N 0.90 0.00 -0.34 1.96 2.03 -1.26 -2.08 116.55 117.75 3ksr n ASP 154 Ca 0.00 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.29 3ksr n ASP 154 Cb 0.00 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.53 3ksr n ASP 154 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 3ksr h TYR 155 N 0.00 1.20 -0.00 -0.67 3.20 -1.78 0.75 116.97 119.67 3ksr h TYR 155 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ksr h TYR 155 Cb 0.00 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 37.87 3ksr h TYR 155 CO 0.00 0.77 0.00 0.54 -1.64 0.00 0.00 178.16 177.83 3ksr n ARG 156 N -4.38 1.04 -0.00 1.82 1.74 -0.88 -2.84 116.66 113.16 3ksr n ARG 156 Ca 0.11 -0.06 0.03 0.00 -0.77 0.00 0.00 57.85 57.16 3ksr n ARG 156 Cb 0.03 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3ksr n ARG 156 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ksr n ARG 157 N -0.89 -0.06 -2.98 5.56 1.74 0.14 -3.74 116.66 116.43 3ksr n ARG 157 Ca 0.22 -0.90 -0.28 0.00 -0.77 0.00 0.00 57.85 56.12 3ksr n ARG 157 Cb 0.12 -1.13 -0.02 0.00 -1.02 0.00 0.00 32.46 30.41 3ksr n ARG 157 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3ksr s ARG 158 N -0.55 3.62 0.19 5.56 0.52 -0.49 -4.92 118.95 122.87 3ksr s ARG 158 Ca 0.08 0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.14 3ksr s ARG 158 Cb 0.06 -2.49 -0.08 0.00 0.52 0.00 0.00 34.95 32.96 3ksr s ARG 158 CO 0.08 0.00 0.93 0.00 0.02 0.00 0.00 175.30 176.33 3ksr s ALA 159 N -2.41 3.32 -0.08 2.13 0.00 -1.26 -4.77 121.76 118.69 3ksr s ALA 159 Ca 0.47 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 3ksr s ALA 159 Cb -0.10 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.86 3ksr s ALA 159 CO 0.36 0.14 0.17 -0.51 0.00 0.00 0.00 175.76 175.92 3ksr s LEU 160 N -0.76 0.44 0.51 0.00 1.43 -1.26 -5.14 118.68 113.89 3ksr s LEU 160 Ca 0.42 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.84 3ksr s LEU 160 Cb -0.25 0.44 -0.03 0.00 0.03 0.00 0.00 46.19 46.38 3ksr s LEU 160 CO 0.31 -0.18 0.82 0.00 0.23 0.00 0.00 176.35 177.53 3ksr s ALA 161 N 1.49 3.37 0.40 4.21 0.00 -1.26 -4.83 121.76 125.15 3ksr s ALA 161 Ca -0.06 -0.53 0.22 0.00 0.00 0.00 0.00 51.96 51.59 3ksr s ALA 161 Cb -0.11 -2.61 1.21 0.00 0.00 0.00 0.00 23.12 21.61 3ksr s ALA 161 CO -0.07 -0.46 1.70 -1.35 0.00 0.00 0.00 175.76 175.59 3ksr h PRO 162 N 0.12 0.27 0.00 0.00 0.11 -1.86 0.81 132.00 131.44 3ksr h PRO 162 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3ksr h PRO 162 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ksr h PRO 162 CO 0.61 0.18 -0.04 0.78 -0.21 0.00 0.00 178.00 179.32 3ksr h GLY 163 N 0.27 0.00 0.10 -0.55 0.00 -1.93 -2.91 103.07 98.06 3ksr h GLY 163 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.03 3ksr h GLY 163 CO -0.39 0.00 -0.37 1.22 0.00 0.00 0.00 176.54 177.00 3ksr n ASP 164 N -3.36 1.14 -3.65 0.19 8.00 0.28 -4.93 116.55 114.21 3ksr n ASP 164 Ca -0.02 -0.92 -0.06 0.00 0.71 0.00 0.00 54.79 54.50 3ksr n ASP 164 Cb 0.18 0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 41.47 3ksr n ASP 164 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3ksr s ASN 165 N -2.59 -0.90 0.37 -2.24 3.84 -1.10 -4.77 114.94 107.55 3ksr s ASN 165 Ca 0.21 1.42 0.04 0.00 0.21 0.00 0.00 52.86 54.74 3ksr s ASN 165 Cb 0.19 1.62 0.72 0.00 -0.55 0.00 0.00 41.25 43.24 3ksr s ASN 165 CO 0.57 -0.23 2.03 -0.07 -2.79 0.00 0.00 177.10 176.61 3ksr h LEU 166 N 7.46 0.63 0.17 3.21 3.38 -1.91 -0.31 115.31 127.95 3ksr h LEU 166 Ca -0.25 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3ksr h LEU 166 Cb 1.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3ksr h LEU 166 CO 0.15 0.45 -0.08 0.00 0.09 0.00 0.00 178.44 179.05 3ksr h ALA 167 N 1.65 -0.23 -0.79 1.53 0.00 -1.92 -1.94 119.26 117.56 3ksr h ALA 167 Ca 0.21 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.06 3ksr h ALA 167 Cb -0.06 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3ksr h ALA 167 CO -0.05 -0.41 0.52 -0.07 0.00 0.00 0.00 179.25 179.25 3ksr h LEU 168 N -0.68 0.48 -0.36 0.00 3.38 -1.76 0.25 115.31 116.63 3ksr h LEU 168 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ksr h LEU 168 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3ksr h LEU 168 CO 0.04 0.25 0.19 0.00 0.09 0.00 0.00 178.44 179.01 3ksr h ALA 169 N 1.63 0.46 -0.71 1.53 0.00 -0.99 -2.36 119.26 118.82 3ksr h ALA 169 Ca 0.39 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.29 3ksr h ALA 169 Cb 0.78 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3ksr h ALA 169 CO -0.14 0.00 0.47 0.00 0.00 0.00 0.00 179.25 179.58 3ksr h ALA 170 N 1.05 1.77 -0.29 0.00 0.00 -0.15 -2.18 119.26 119.47 3ksr h ALA 170 Ca 0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ksr h ALA 170 Cb 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ksr h ALA 170 CO -0.02 0.10 -0.27 0.00 0.00 0.00 0.00 179.25 179.05 3ksr h ALA 172 N 0.71 1.89 0.00 0.00 0.00 -0.86 0.84 119.26 121.85 3ksr h ALA 172 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3ksr h ALA 172 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3ksr h ALA 172 CO 0.07 -0.09 -0.27 1.96 0.00 0.00 0.00 179.25 180.92 3ksr h GLN 173 N 0.62 0.00 -6.69 0.00 4.20 -1.16 -3.41 115.11 108.68 3ksr h GLN 173 Ca 0.39 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.57 3ksr h GLN 173 Cb 0.65 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.48 3ksr h GLN 173 CO -0.15 0.27 0.84 -0.47 -0.67 0.00 0.00 178.83 178.65 3ksr s TYR 174 N -3.12 3.00 -0.19 2.96 5.04 0.29 -4.93 117.35 120.39 3ksr s TYR 174 Ca 0.05 0.79 0.05 0.00 -2.44 0.00 0.00 57.07 55.51 3ksr s TYR 174 Cb 0.07 -3.91 -0.05 0.00 0.35 0.00 0.00 41.96 38.41 3ksr s TYR 174 CO 0.70 -3.19 0.18 1.63 -1.34 0.00 0.00 175.55 173.54 3ksr n LYS 175 N 3.10 4.86 0.00 4.97 5.02 -1.26 -2.94 118.16 131.91 3ksr n LYS 175 Ca 0.10 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3ksr n LYS 175 Cb 0.39 -0.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 3ksr n LYS 175 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ksr n GLY 176 N 1.24 -2.50 3.88 0.72 0.00 -1.26 -1.95 105.19 105.32 3ksr n GLY 176 Ca 0.01 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 3ksr n GLY 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ksr s ASP 177 N -1.60 6.53 -0.05 1.61 1.01 -1.02 -0.21 116.67 122.94 3ksr s ASP 177 Ca 0.00 0.63 0.03 0.00 0.71 0.00 0.00 52.55 53.92 3ksr s ASP 177 Cb 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.82 3ksr s ASP 177 CO 0.00 0.16 -0.15 -0.69 0.21 0.00 0.00 175.17 174.70 3ksr s VAL 178 N -1.46 1.28 -0.16 -1.27 1.01 -0.47 -1.25 120.40 118.08 3ksr s VAL 178 Ca 0.34 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3ksr s VAL 178 Cb -0.13 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 3ksr s VAL 178 CO 0.20 0.38 -0.12 -0.22 0.00 0.00 0.00 175.10 175.34 3ksr s LEU 179 N 0.33 2.66 -0.23 3.92 2.96 -0.34 -0.28 118.68 127.70 3ksr s LEU 179 Ca -0.09 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3ksr s LEU 179 Cb -0.13 -1.62 0.04 0.00 0.50 0.00 0.00 46.19 44.98 3ksr s LEU 179 CO 0.03 0.10 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.28 3ksr s LEU 180 N 0.73 2.96 -0.18 -0.68 1.43 -0.07 -0.77 118.68 122.10 3ksr s LEU 180 Ca -0.05 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.01 3ksr s LEU 180 Cb -0.15 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3ksr s LEU 180 CO 0.01 -0.11 -0.02 -0.69 0.23 0.00 0.00 176.35 175.77 3ksr s VAL 181 N 1.23 3.84 0.18 -1.59 1.01 -0.79 -1.05 120.40 123.23 3ksr s VAL 181 Ca -0.02 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 61.71 3ksr s VAL 181 Cb -0.17 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3ksr s VAL 181 CO -0.07 0.46 -0.22 -1.83 0.00 0.00 0.00 175.10 173.43 3ksr s GLU 182 N 0.78 1.44 -0.27 2.72 -1.05 -0.75 -1.28 118.70 120.28 3ksr s GLU 182 Ca -0.01 -1.49 -0.13 0.00 -0.15 0.00 0.00 54.97 53.20 3ksr s GLU 182 Cb -0.14 -1.68 -0.04 0.00 -0.44 0.00 0.00 34.13 31.83 3ksr s GLU 182 CO 0.02 0.36 0.28 0.00 0.95 0.00 0.00 175.26 176.87 3ksr s ALA 183 N -1.79 3.55 0.27 -0.84 0.00 -1.26 0.70 121.76 122.39 3ksr s ALA 183 Ca 0.19 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3ksr s ALA 183 Cb -0.07 -2.60 0.61 0.00 0.00 0.00 0.00 23.12 21.06 3ksr s ALA 183 CO 0.09 -0.60 1.75 1.49 0.00 0.00 0.00 175.76 178.49 3ksr h GLU 184 N 8.25 0.56 -0.57 0.00 4.81 -1.21 -2.39 114.58 124.03 3ksr h GLU 184 Ca -0.33 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.58 3ksr h GLU 184 Cb 1.18 -0.13 -0.17 0.00 0.63 0.00 0.00 28.75 30.26 3ksr h GLU 184 CO 0.60 0.37 0.17 0.09 -0.73 0.00 0.00 179.01 179.51 3ksr n ASN 185 N -4.90 3.03 -4.70 1.04 3.02 0.40 -4.88 115.26 108.26 3ksr n ASN 185 Ca 0.19 -3.67 -0.42 0.00 -0.03 0.00 0.00 54.58 50.65 3ksr n ASN 185 Cb 0.51 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 3ksr n ASN 185 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ksr s ASP 186 N -2.06 6.48 0.00 6.41 -1.08 -0.90 -4.71 116.67 120.80 3ksr s ASP 186 Ca 0.49 2.70 0.15 0.00 -0.52 0.00 0.00 52.55 55.37 3ksr s ASP 186 Cb 0.43 -2.58 0.01 0.00 -1.46 0.00 0.00 42.92 39.32 3ksr s ASP 186 CO 0.04 -0.94 0.82 1.33 0.52 0.00 0.00 175.17 176.94 3ksr n VAL 187 N 4.43 0.00 -0.11 1.11 0.24 -1.26 -4.08 118.33 118.66 3ksr n VAL 187 Ca 0.16 -0.37 -0.22 0.00 -2.04 0.00 0.00 64.34 61.88 3ksr n VAL 187 Cb 0.38 1.19 -0.10 0.00 -1.47 0.00 0.00 33.84 33.84 3ksr n VAL 187 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3ksr n ILE 188 N -0.04 1.52 -3.92 1.34 5.41 -1.26 -4.68 119.36 117.74 3ksr n ILE 188 Ca 0.06 -0.07 -0.30 0.00 1.00 0.00 0.00 62.75 63.44 3ksr n ILE 188 Cb 0.32 -2.05 -0.14 0.00 -0.71 0.00 0.00 39.64 37.06 3ksr n ILE 188 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3ksr s VAL 189 N -2.39 2.45 0.80 1.39 1.01 -1.26 -5.02 120.40 117.38 3ksr s VAL 189 Ca -0.30 -3.23 -0.08 0.00 0.00 0.00 0.00 61.98 58.37 3ksr s VAL 189 Cb 0.07 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 33.88 3ksr s VAL 189 CO 0.53 -0.81 1.12 -2.16 0.00 0.00 0.00 175.10 173.78 3ksr s PRO 190 N -0.22 1.47 0.28 2.72 0.04 -1.26 -4.73 135.00 133.30 3ksr s PRO 190 Ca 0.17 -0.59 0.01 0.00 0.04 0.00 0.00 61.00 60.63 3ksr s PRO 190 Cb -0.26 -2.10 0.66 0.00 0.04 0.00 0.00 34.50 32.83 3ksr s PRO 190 CO 0.00 -1.73 1.65 1.25 0.04 0.00 0.00 177.00 178.21 3ksr h HIS 191 N -0.95 0.32 -0.13 0.56 -0.00 -1.90 -1.53 115.15 111.52 3ksr h HIS 191 Ca -0.42 0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.04 3ksr h HIS 191 Cb 1.27 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.67 3ksr h HIS 191 CO -0.37 -0.19 0.11 -1.35 -0.00 0.00 0.00 177.93 176.13 3ksr h PRO 192 N 0.22 0.00 -0.16 5.26 0.11 -1.92 0.86 132.00 136.37 3ksr h PRO 192 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3ksr h PRO 192 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3ksr h PRO 192 CO -0.63 0.00 0.00 0.28 -0.21 0.00 0.00 178.00 177.44 3ksr n VAL 193 N -4.23 0.00 0.00 3.15 0.31 -0.58 -1.75 118.33 115.23 3ksr n VAL 193 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3ksr n VAL 193 Cb 0.23 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 3ksr n VAL 193 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3ksr n ARG 195 N 0.39 0.00 -0.19 5.55 0.63 0.29 -1.30 116.66 122.02 3ksr n ARG 195 Ca 0.00 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.86 3ksr n ARG 195 Cb 0.04 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.98 3ksr n ARG 195 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 3ksr h ASN 196 N 0.00 0.66 0.73 6.15 2.35 -1.60 -0.89 115.58 122.99 3ksr h ASN 196 Ca 0.00 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 3ksr h ASN 196 Cb 0.00 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.21 3ksr h ASN 196 CO 0.00 0.51 -0.35 1.88 -1.65 0.00 0.00 177.43 177.82 3ksr h TYR 197 N 0.76 -0.91 -0.89 1.19 0.05 -1.48 -1.95 116.97 113.74 3ksr h TYR 197 Ca 0.20 -0.02 0.11 0.00 0.05 0.00 0.00 58.73 59.07 3ksr h TYR 197 Cb -0.04 0.30 -0.13 0.00 1.01 0.00 0.00 36.73 37.87 3ksr h TYR 197 CO -0.03 -0.57 -0.48 0.00 -1.05 0.00 0.00 178.16 176.04 3ksr h ALA 198 N -1.49 -0.23 -0.81 3.88 0.00 -1.83 -0.76 119.26 118.02 3ksr h ALA 198 Ca -0.10 0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3ksr h ALA 198 Cb 0.75 1.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.60 3ksr h ALA 198 CO 0.17 -0.81 0.42 -0.44 0.00 0.00 0.00 179.25 178.59 3ksr h ASP 199 N -0.06 0.53 0.89 0.00 5.19 -1.17 -2.49 116.42 119.31 3ksr h ASP 199 Ca 0.23 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3ksr h ASP 199 Cb 0.52 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3ksr h ASP 199 CO -0.90 0.26 0.00 0.00 -3.12 0.00 0.00 179.24 175.48 3ksr h ALA 200 N 1.51 1.00 -0.53 3.45 0.00 -0.32 -3.31 119.26 121.06 3ksr h ALA 200 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.06 3ksr h ALA 200 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 3ksr h ALA 200 CO -0.32 0.00 0.35 1.19 0.00 0.00 0.00 179.25 180.47 3ksr n PHE 201 N -2.39 1.64 0.85 0.00 3.72 -0.94 -1.93 117.46 118.42 3ksr n PHE 201 Ca 0.02 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.21 3ksr n PHE 201 Cb 0.27 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 3ksr n PHE 201 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ksr n THR 202 N -0.37 0.36 -0.32 4.37 -2.24 -1.25 -2.48 114.28 112.35 3ksr n THR 202 Ca 0.32 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 3ksr n THR 202 Cb 1.13 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3ksr n THR 202 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ksr n ASN 203 N 0.29 0.96 -4.79 3.42 3.02 -1.26 -5.09 115.26 111.80 3ksr n ASN 203 Ca 0.00 -1.29 -0.35 0.00 -0.03 0.00 0.00 54.58 52.91 3ksr n ASN 203 Cb 0.30 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.42 3ksr n ASN 203 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ksr s ALA 204 N -0.29 3.05 0.46 5.41 0.00 -1.04 -4.27 121.76 125.09 3ksr s ALA 204 Ca 0.00 0.58 0.27 0.00 0.00 0.00 0.00 51.96 52.81 3ksr s ALA 204 Cb 0.00 -3.22 1.31 0.00 0.00 0.00 0.00 23.12 21.21 3ksr s ALA 204 CO 0.00 -0.08 1.77 0.00 0.00 0.00 0.00 175.76 177.44 3ksr h ARG 205 N 2.29 0.20 -2.30 0.00 3.08 0.08 -3.44 114.38 114.30 3ksr h ARG 205 Ca -0.48 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.65 3ksr h ARG 205 Cb 1.20 -0.05 -0.15 0.00 0.08 0.00 0.00 29.97 31.05 3ksr h ARG 205 CO 0.62 0.13 0.47 -1.54 -1.07 0.00 0.00 179.97 178.58 3ksr s SER 206 N -5.13 -0.38 -0.22 7.04 1.04 -1.25 -4.99 113.70 109.80 3ksr s SER 206 Ca -0.07 0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 3ksr s SER 206 Cb 0.25 0.40 0.08 0.00 0.10 0.00 0.00 66.02 66.84 3ksr s SER 206 CO 0.80 -0.64 0.10 -0.22 0.98 0.00 0.00 173.24 174.27 3ksr s LEU 207 N -2.44 0.53 0.07 2.42 2.96 -1.26 -1.37 118.68 119.60 3ksr s LEU 207 Ca 0.04 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 3ksr s LEU 207 Cb -0.01 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 3ksr s LEU 207 CO -0.09 -0.38 0.22 -0.89 -1.32 0.00 0.00 176.35 173.89 3ksr s THR 208 N 2.09 5.38 -0.23 3.68 2.01 0.62 -5.01 115.64 124.18 3ksr s THR 208 Ca 0.05 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 3ksr s THR 208 Cb -0.16 -3.64 0.12 0.00 0.01 0.00 0.00 72.50 68.83 3ksr s THR 208 CO -0.20 0.12 0.35 -0.55 -0.69 0.00 0.00 174.62 173.65 3ksr s SER 209 N -2.58 0.40 -0.06 3.53 0.15 -1.26 -0.89 113.70 112.99 3ksr s SER 209 Ca 0.35 0.20 -0.03 0.00 0.70 0.00 0.00 55.95 57.17 3ksr s SER 209 Cb -0.13 1.00 -0.04 0.00 -1.71 0.00 0.00 66.02 65.15 3ksr s SER 209 CO 0.28 -0.30 0.10 -0.13 1.20 0.00 0.00 173.24 174.39 3ksr s ARG 210 N 2.51 3.21 -0.14 5.44 0.52 -0.22 -4.97 118.95 125.31 3ksr s ARG 210 Ca 0.11 -0.33 -0.01 0.00 -0.52 0.00 0.00 55.73 54.97 3ksr s ARG 210 Cb -0.15 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 3ksr s ARG 210 CO -0.15 0.71 -0.10 0.08 0.02 0.00 0.00 175.30 175.85 3ksr s VAL 211 N -1.09 3.30 -0.27 3.52 1.01 -1.26 -1.82 120.40 123.80 3ksr s VAL 211 Ca 0.19 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 3ksr s VAL 211 Cb -0.12 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3ksr s VAL 211 CO 0.09 0.52 0.70 -0.63 0.00 0.00 0.00 175.10 175.78 3ksr s ILE 212 N 0.32 4.91 0.18 2.22 1.01 0.22 -4.93 121.20 125.13 3ksr s ILE 212 Ca -0.09 1.21 -0.31 0.00 0.00 0.00 0.00 60.65 61.46 3ksr s ILE 212 Cb -0.15 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 3ksr s ILE 212 CO 0.05 -0.07 1.55 0.00 0.00 0.00 0.00 174.94 176.47 3ksr s ALA 213 N 2.68 3.75 0.00 9.38 0.00 -1.26 -1.32 121.76 134.98 3ksr s ALA 213 Ca 0.29 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3ksr s ALA 213 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3ksr s ALA 213 CO 0.09 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3ksr n GLY 214 N 3.43 0.12 3.79 0.00 0.00 -1.26 -4.83 105.19 106.44 3ksr n GLY 214 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3ksr n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksr s ALA 215 N -1.33 2.34 0.44 4.61 0.00 -1.12 -4.58 121.76 122.10 3ksr s ALA 215 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.04 3ksr s ALA 215 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 3ksr s ALA 215 CO 0.00 -1.61 0.30 0.16 0.00 0.00 0.00 175.76 174.61 3ksr s ASP 216 N -3.72 4.71 0.37 0.00 1.47 -1.26 -0.46 116.67 117.79 3ksr s ASP 216 Ca 0.60 -0.98 0.12 0.00 1.18 0.00 0.00 52.55 53.47 3ksr s ASP 216 Cb -0.15 -0.36 0.91 0.00 -0.34 0.00 0.00 42.92 42.98 3ksr s ASP 216 CO 0.55 -0.69 1.86 -0.74 0.68 0.00 0.00 175.17 176.83 3ksr h HIS 217 N 1.15 0.73 0.00 2.11 -0.00 -1.90 0.09 115.15 117.33 3ksr h HIS 217 Ca -0.41 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3ksr h HIS 217 Cb 1.27 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 3ksr h HIS 217 CO 0.65 0.23 0.00 0.00 -0.00 0.00 0.00 177.93 178.81 3ksr n ALA 218 N -2.45 2.45 -4.21 5.26 0.00 -1.26 -4.88 120.51 115.41 3ksr n ALA 218 Ca 0.19 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.15 3ksr n ALA 218 Cb 0.56 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 3ksr n ALA 218 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ksr n LEU 219 N -1.17 -1.10 0.29 0.00 4.77 0.02 -4.85 117.00 114.96 3ksr n LEU 219 Ca 0.17 -1.23 0.17 0.00 -0.03 0.00 0.00 56.01 55.09 3ksr n LEU 219 Cb 0.17 -1.71 0.80 0.00 -2.33 0.00 0.00 43.42 40.34 3ksr n LEU 219 CO 0.19 0.51 1.02 0.77 -1.33 0.00 0.00 177.39 178.56 3ksr h SER 220 N -1.92 0.00 -3.65 -1.43 4.64 -1.90 -3.34 113.55 105.95 3ksr h SER 220 Ca -0.66 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.15 3ksr h SER 220 Cb 1.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 3ksr h SER 220 CO 0.66 0.04 0.33 -0.69 -0.87 0.00 0.00 176.83 176.30 3ksr s VAL 221 N -3.85 4.28 0.19 0.95 1.01 -1.26 -4.96 120.40 116.76 3ksr s VAL 221 Ca -0.01 2.03 -0.13 0.00 0.00 0.00 0.00 61.98 63.87 3ksr s VAL 221 Cb 0.11 -4.30 0.11 0.00 0.00 0.00 0.00 36.38 32.29 3ksr s VAL 221 CO 0.53 0.43 1.72 0.50 0.00 0.00 0.00 175.10 178.27 3ksr h LYS 222 N 4.75 0.22 -0.24 2.72 3.64 -2.00 -1.81 116.57 123.86 3ksr h LYS 222 Ca -0.44 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 3ksr h LYS 222 Cb 1.20 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3ksr h LYS 222 CO 0.69 0.15 0.08 0.93 -2.27 0.00 0.00 179.45 179.03 3ksr h GLU 223 N 0.23 0.33 -0.03 1.90 3.07 -1.92 -1.24 114.58 116.91 3ksr h GLU 223 Ca 0.25 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.94 3ksr h GLU 223 Cb 0.33 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3ksr h GLU 223 CO -0.33 0.29 -0.48 0.45 -1.40 0.00 0.00 179.01 177.54 3ksr h HIS 224 N 0.33 0.55 -0.97 4.33 3.86 -1.73 -0.25 115.15 121.27 3ksr h HIS 224 Ca 0.08 -0.28 0.23 0.00 -1.16 0.00 0.00 60.37 59.25 3ksr h HIS 224 Cb 0.09 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.42 3ksr h HIS 224 CO 0.00 1.07 0.64 0.37 0.86 0.00 0.00 177.93 180.87 3ksr h GLN 225 N -0.13 0.39 0.03 2.45 5.75 -0.73 -1.55 115.11 121.31 3ksr h GLN 225 Ca -0.05 -0.02 -0.28 0.00 -0.15 0.00 0.00 58.65 58.15 3ksr h GLN 225 Cb 1.18 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 3ksr h GLN 225 CO 0.10 0.26 -1.51 1.96 -2.65 0.00 0.00 178.83 176.98 3ksr h GLN 226 N 0.40 0.07 -0.58 1.69 4.20 -1.08 -2.97 115.11 116.83 3ksr h GLN 226 Ca 0.52 -0.11 0.09 0.00 0.06 0.00 0.00 58.65 59.21 3ksr h GLN 226 Cb 1.33 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 29.08 3ksr h GLN 226 CO -0.22 0.79 0.22 0.93 -0.67 0.00 0.00 178.83 179.88 3ksr h GLU 227 N 0.02 0.39 -0.31 1.46 5.08 -0.41 -0.61 114.58 120.20 3ksr h GLU 227 Ca -0.22 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3ksr h GLU 227 Cb 1.95 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 3ksr h GLU 227 CO 0.11 0.26 0.04 -0.92 -1.00 0.00 0.00 179.01 177.50 3ksr h TYR 228 N 0.40 0.55 -0.43 4.33 3.20 -1.36 0.21 116.97 123.87 3ksr h TYR 228 Ca 0.29 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.15 3ksr h TYR 228 Cb 0.34 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 3ksr h TYR 228 CO -0.16 0.61 0.05 1.15 -1.64 0.00 0.00 178.16 178.16 3ksr h THR 229 N 0.34 0.73 -0.42 1.81 2.02 -1.33 0.52 112.91 116.57 3ksr h THR 229 Ca 0.09 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 3ksr h THR 229 Cb 0.36 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3ksr h THR 229 CO 0.01 0.03 0.17 -0.09 0.37 0.00 0.00 175.52 176.00 3ksr h ARG 230 N 0.17 0.64 -0.52 6.66 9.65 -0.72 -0.75 114.38 129.51 3ksr h ARG 230 Ca 0.21 -0.12 0.06 0.00 -1.10 0.00 0.00 59.98 59.03 3ksr h ARG 230 Cb 0.28 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 3ksr h ARG 230 CO -0.31 0.60 0.24 0.00 2.80 0.00 0.00 179.97 183.30 3ksr h ALA 231 N 1.01 0.67 -0.14 2.80 0.00 0.02 0.59 119.26 124.20 3ksr h ALA 231 Ca 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ksr h ALA 231 Cb 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ksr h ALA 231 CO -0.01 -0.13 -0.04 1.25 0.00 0.00 0.00 179.25 180.32 3ksr h LEU 232 N 0.46 0.29 -0.65 0.00 5.85 -0.66 -2.49 115.31 118.11 3ksr h LEU 232 Ca 0.24 -0.38 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 3ksr h LEU 232 Cb 0.19 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3ksr h LEU 232 CO -0.20 0.60 -0.31 0.40 -0.34 0.00 0.00 178.44 178.59 3ksr h ILE 233 N -0.03 1.28 -0.51 4.05 1.08 -0.95 -0.20 117.51 122.24 3ksr h ILE 233 Ca 0.04 -1.45 0.01 0.00 -0.39 0.00 0.00 64.86 63.07 3ksr h ILE 233 Cb 0.48 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 3ksr h ILE 233 CO 0.02 0.47 0.32 0.44 -0.69 0.00 0.00 178.15 178.71 3ksr h ASP 234 N 0.61 0.54 -0.00 1.72 3.32 -0.90 -0.49 116.42 121.21 3ksr h ASP 234 Ca 0.07 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3ksr h ASP 234 Cb 0.83 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 3ksr h ASP 234 CO 0.07 0.38 0.00 -0.25 -1.72 0.00 0.00 179.24 177.72 3ksr h TRP 235 N 0.65 0.01 -0.55 4.55 7.01 -1.12 0.22 115.95 126.70 3ksr h TRP 235 Ca 0.20 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.22 3ksr h TRP 235 Cb -0.03 -0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 3ksr h TRP 235 CO -0.05 0.20 0.34 -0.07 -2.79 0.00 0.00 178.44 176.06 3ksr h LEU 236 N -0.19 0.55 0.05 0.65 3.38 -0.97 -2.07 115.31 116.71 3ksr h LEU 236 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ksr h LEU 236 Cb 0.20 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3ksr h LEU 236 CO -0.00 0.39 -0.42 0.74 0.09 0.00 0.00 178.44 179.24 3ksr h THR 237 N 0.67 0.16 0.00 0.22 2.02 -0.94 0.70 112.91 115.74 3ksr h THR 237 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 3ksr h THR 237 Cb 0.01 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 3ksr h THR 237 CO -0.09 0.00 0.00 1.21 0.37 0.00 0.00 175.52 177.01 3ksr n GLU 238 N -5.45 0.00 0.00 6.66 2.13 0.05 0.25 120.64 124.28 3ksr n GLU 238 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 3ksr n GLU 238 Cb 0.37 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 31.13 3ksr n GLU 238 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3ksr n VAL 240 N 0.45 0.00 0.01 6.31 0.31 0.24 -2.51 118.33 123.15 3ksr n VAL 240 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 3ksr n VAL 240 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3ksr n VAL 240 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3ksr h VAL 241 N 0.00 0.08 -0.84 2.52 2.07 -0.32 -2.12 116.25 117.63 3ksr h VAL 241 Ca 0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 3ksr h VAL 241 Cb 0.00 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 29.79 3ksr h VAL 241 CO 0.00 0.00 0.58 0.61 0.02 0.00 0.00 177.57 178.78 3ksr n GLY 242 N -1.44 -0.46 0.00 2.17 0.00 -1.04 -5.18 105.19 99.24 3ksr n GLY 242 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3ksr n GLY 242 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86