#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k75 s ASP 2 N 0.00 4.35 -0.08 4.04 -4.77 -1.26 -3.97 116.67 114.98 2k75 s ASP 2 Ca 0.00 0.60 -0.30 0.00 -3.30 0.00 0.00 52.55 49.55 2k75 s ASP 2 Cb 0.00 -1.05 -0.02 0.00 -1.09 0.00 0.00 42.92 40.76 2k75 s ASP 2 CO 0.00 -1.97 1.09 -0.22 0.70 0.00 0.00 175.17 174.77 2k75 s LEU 3 N -5.54 4.26 0.09 2.11 2.96 -1.26 -1.42 118.68 119.89 2k75 s LEU 3 Ca 0.64 1.66 -0.00 0.00 -0.22 0.00 0.00 54.13 56.21 2k75 s LEU 3 Cb -0.10 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2k75 s LEU 3 CO 0.49 -0.50 -0.01 0.68 -1.32 0.00 0.00 176.35 175.68 2k75 s VAL 4 N 2.07 0.33 0.49 1.68 -7.23 -1.01 -4.95 120.40 111.78 2k75 s VAL 4 Ca 0.52 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.63 2k75 s VAL 4 Cb -0.21 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 2k75 s VAL 4 CO 0.20 -0.77 0.99 -0.54 -0.31 0.00 0.00 175.10 174.66 2k75 s LYS 5 N -3.94 3.95 0.18 4.82 1.02 -1.26 -4.72 119.74 119.79 2k75 s LYS 5 Ca 0.14 1.08 -0.12 0.00 0.02 0.00 0.00 55.97 57.09 2k75 s LYS 5 Cb 0.07 -2.13 0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2k75 s LYS 5 CO -0.04 -0.27 1.78 0.82 -0.92 0.00 0.00 175.35 176.72 2k75 h ILE 6 N 1.25 1.21 0.00 2.17 2.04 -1.96 -0.74 117.51 121.47 2k75 h ILE 6 Ca -0.48 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 64.84 2k75 h ILE 6 Cb 1.19 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2k75 h ILE 6 CO 0.61 0.23 0.00 0.03 0.00 0.00 0.00 178.15 179.02 2k75 h ARG 7 N 0.85 0.00 0.00 2.37 3.08 -1.93 -1.99 114.38 116.77 2k75 h ARG 7 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2k75 h ARG 7 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2k75 h ARG 7 CO -0.03 0.00 -0.95 -0.25 -1.07 0.00 0.00 179.97 177.67 2k75 n ASP 8 N -2.81 0.80 -4.63 7.04 8.00 -0.39 -4.92 116.55 119.64 2k75 n ASP 8 Ca 0.00 0.25 -0.46 0.00 0.71 0.00 0.00 54.79 55.29 2k75 n ASP 8 Cb 0.22 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 2k75 n ASP 8 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2k75 n VAL 9 N -2.51 1.12 -3.86 2.53 0.31 -0.58 -4.94 118.33 110.40 2k75 n VAL 9 Ca 0.01 -0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 63.97 2k75 n VAL 9 Cb 0.52 -1.21 -0.04 0.00 -0.91 0.00 0.00 33.84 32.20 2k75 n VAL 9 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2k75 s SER 10 N 0.05 -0.17 0.20 4.52 1.04 -1.26 -5.01 113.70 113.07 2k75 s SER 10 Ca 0.68 -0.67 0.21 0.00 0.48 0.00 0.00 55.95 56.64 2k75 s SER 10 Cb -0.72 0.58 0.90 0.00 0.10 0.00 0.00 66.02 66.87 2k75 s SER 10 CO 0.52 -1.09 1.64 0.18 0.98 0.00 0.00 173.24 175.48 2k75 n LEU 11 N -0.35 0.51 0.18 2.42 7.99 -1.26 -2.32 117.00 124.16 2k75 n LEU 11 Ca -0.07 0.63 0.06 0.00 -0.01 0.00 0.00 56.01 56.63 2k75 n LEU 11 Cb 0.62 -0.58 0.55 0.00 -0.11 0.00 0.00 43.42 43.91 2k75 n LEU 11 CO 0.19 -0.53 1.06 0.77 -1.51 0.00 0.00 177.39 177.38 2k75 h SER 12 N 0.00 0.14 -3.58 -1.43 4.64 -1.97 -3.29 113.55 108.06 2k75 h SER 12 Ca 0.00 -0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.69 2k75 h SER 12 Cb 0.30 -0.03 -0.41 0.00 -0.31 0.00 0.00 62.40 61.95 2k75 h SER 12 CO 0.00 0.13 -0.65 0.28 -0.87 0.00 0.00 176.83 175.72 2k75 s THR 13 N -5.11 2.37 0.31 2.95 -1.32 -0.98 -4.97 115.64 108.88 2k75 s THR 13 Ca -0.06 -3.55 0.05 0.00 -1.21 0.00 0.00 61.69 56.93 2k75 s THR 13 Cb 0.17 -2.60 0.30 0.00 -1.51 0.00 0.00 72.50 68.86 2k75 s THR 13 CO 0.69 -0.93 1.80 -0.65 -2.21 0.00 0.00 174.62 173.32 2k75 h PRO 14 N 6.03 0.78 -5.40 7.08 0.11 -1.76 -3.40 132.00 135.44 2k75 h PRO 14 Ca 0.05 -0.05 -0.63 0.00 0.11 0.00 0.00 66.00 65.47 2k75 h PRO 14 Cb 0.84 -0.18 -0.18 0.00 0.11 0.00 0.00 31.00 31.59 2k75 h PRO 14 CO 0.65 0.52 -0.62 0.71 -0.21 0.00 0.00 178.00 179.05 2k75 s TYR 15 N -5.85 3.14 0.27 0.65 2.02 -1.26 0.12 117.35 116.45 2k75 s TYR 15 Ca -0.11 -0.07 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 2k75 s TYR 15 Cb 0.24 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2k75 s TYR 15 CO 0.80 0.13 0.45 1.33 -1.57 0.00 0.00 175.55 176.69 2k75 n VAL 16 N 3.29 0.00 -4.02 0.71 0.24 -0.90 -1.11 118.33 116.54 2k75 n VAL 16 Ca -0.17 -1.10 -0.15 0.00 -2.04 0.00 0.00 64.34 60.88 2k75 n VAL 16 Cb 0.53 0.79 -0.15 0.00 -1.47 0.00 0.00 33.84 33.54 2k75 n VAL 16 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k75 s SER 17 N -2.59 0.38 0.08 -1.34 0.01 -0.50 -0.07 113.70 109.67 2k75 s SER 17 Ca 0.18 -0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.37 2k75 s SER 17 Cb -0.02 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2k75 s SER 17 CO 0.13 0.01 0.01 0.68 0.41 0.00 0.00 173.24 174.48 2k75 s VAL 18 N 0.15 0.17 -0.04 3.43 -7.23 -0.49 -2.40 120.40 113.99 2k75 s VAL 18 Ca -0.01 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2k75 s VAL 18 Cb -0.04 -1.70 0.01 0.00 0.56 0.00 0.00 36.38 35.21 2k75 s VAL 18 CO -0.00 -0.79 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.26 2k75 s ILE 19 N -3.96 0.96 0.00 -0.62 1.01 -1.26 -1.62 121.20 115.70 2k75 s ILE 19 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.36 2k75 s ILE 19 Cb 0.08 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.67 2k75 s ILE 19 CO -0.06 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2k75 n GLY 20 N 3.55 0.47 3.49 6.18 0.00 -1.16 -4.78 105.19 112.93 2k75 n GLY 20 Ca -0.21 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2k75 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k75 s LYS 21 N -1.29 2.74 -0.17 1.61 1.02 -1.04 -2.56 119.74 120.06 2k75 s LYS 21 Ca 0.00 -0.65 -0.12 0.00 0.02 0.00 0.00 55.97 55.22 2k75 s LYS 21 Cb 0.00 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 2k75 s LYS 21 CO 0.00 0.56 0.22 0.42 -0.92 0.00 0.00 175.35 175.63 2k75 s ILE 22 N -0.55 5.36 0.13 2.17 1.09 -0.99 -2.35 121.20 126.05 2k75 s ILE 22 Ca 0.08 0.38 0.03 0.00 -1.10 0.00 0.00 60.65 60.04 2k75 s ILE 22 Cb -0.12 -3.55 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2k75 s ILE 22 CO 0.02 0.44 -0.08 0.42 -0.10 0.00 0.00 174.94 175.63 2k75 s THR 23 N 0.23 0.95 0.00 2.92 -4.23 0.27 0.23 115.64 116.01 2k75 s THR 23 Ca 0.13 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2k75 s THR 23 Cb -0.12 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.91 2k75 s THR 23 CO 0.02 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.93 2k75 n GLY 24 N -0.14 1.92 2.11 3.99 0.00 -1.26 -0.98 105.19 110.84 2k75 n GLY 24 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2k75 n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k75 n ILE 25 N 0.00-13.03 -3.81 -0.61 2.08 -1.22 -4.94 119.36 97.83 2k75 n ILE 25 Ca 0.00 3.29 -0.12 0.00 0.56 0.00 0.00 62.75 66.48 2k75 n ILE 25 Cb 0.00 -5.37 -0.11 0.00 -0.75 0.00 0.00 39.64 33.41 2k75 n ILE 25 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 2k75 s HIS 26 N -0.50 -0.18 -0.19 1.39 3.76 0.15 -4.95 115.29 114.78 2k75 s HIS 26 Ca 0.00 0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 2k75 s HIS 26 Cb 0.00 0.06 -0.05 0.00 1.11 0.00 0.00 32.58 33.70 2k75 s HIS 26 CO 0.00 -0.16 0.19 0.21 -0.85 0.00 0.00 174.74 174.13 2k75 s LYS 27 N -0.25 4.20 0.07 1.40 2.20 -1.26 -1.87 119.74 124.23 2k75 s LYS 27 Ca -0.04 -0.11 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 2k75 s LYS 27 Cb -0.03 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2k75 s LYS 27 CO 0.01 0.29 0.04 0.15 -0.36 0.00 0.00 175.35 175.47 2k75 s LYS 28 N 0.38 0.71 0.02 4.03 1.02 -0.68 -5.00 119.74 120.21 2k75 s LYS 28 Ca 0.11 -1.19 0.08 0.00 0.02 0.00 0.00 55.97 54.99 2k75 s LYS 28 Cb -0.12 0.25 -0.02 0.00 -0.52 0.00 0.00 37.83 37.42 2k75 s LYS 28 CO 0.00 -0.17 -0.24 -1.21 -0.92 0.00 0.00 175.35 172.81 2k75 s GLU 29 N -3.92 1.76 0.06 1.68 8.01 -1.26 -0.57 118.70 124.46 2k75 s GLU 29 Ca 0.09 -0.95 -0.03 0.00 0.01 0.00 0.00 54.97 54.08 2k75 s GLU 29 Cb 0.07 -1.82 -0.03 0.00 -4.31 0.00 0.00 34.13 28.04 2k75 s GLU 29 CO -0.09 0.48 0.04 1.52 0.01 0.00 0.00 175.26 177.22 2k75 s TYR 30 N -0.69 0.43 -0.34 1.61 1.13 -0.82 -4.97 117.35 113.71 2k75 s TYR 30 Ca 0.10 -0.94 -0.21 0.00 -1.41 0.00 0.00 57.07 54.61 2k75 s TYR 30 Cb -0.09 -0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 40.47 2k75 s TYR 30 CO 0.01 -0.43 0.65 -1.21 -2.51 0.00 0.00 175.55 172.06 2k75 s GLU 31 N -3.91 3.77 -0.28 -3.49 2.02 -1.26 -1.06 118.70 114.49 2k75 s GLU 31 Ca 0.07 0.18 -0.05 0.00 0.02 0.00 0.00 54.97 55.19 2k75 s GLU 31 Cb 0.07 -3.78 0.01 0.00 0.10 0.00 0.00 34.13 30.54 2k75 s GLU 31 CO -0.10 -0.69 0.03 0.45 0.02 0.00 0.00 175.26 174.97 2k75 s SER 32 N 1.74 4.83 -1.32 -0.19 0.15 0.16 -4.55 113.70 114.51 2k75 s SER 32 Ca 0.26 -0.75 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 2k75 s SER 32 Cb -0.14 -1.80 0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2k75 s SER 32 CO 0.14 -0.16 0.14 0.47 1.20 0.00 0.00 173.24 175.02 2k75 n ASP 33 N 4.80 -4.64 0.00 5.45 8.00 -1.26 0.14 116.55 129.04 2k75 n ASP 33 Ca -0.15 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2k75 n ASP 33 Cb 0.48 -3.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.70 2k75 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k75 n GLY 34 N -0.99 0.80 3.26 0.44 0.00 -1.26 -5.03 105.19 102.41 2k75 n GLY 34 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2k75 n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k75 s THR 35 N -3.08 2.40 0.10 2.61 2.01 0.12 -5.08 115.64 114.72 2k75 s THR 35 Ca 0.00 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.80 2k75 s THR 35 Cb 0.00 -1.96 -0.08 0.00 0.01 0.00 0.00 72.50 70.47 2k75 s THR 35 CO 0.00 0.54 1.46 -0.89 -0.69 0.00 0.00 174.62 175.04 2k75 s THR 36 N 0.47 3.23 0.03 -0.82 2.01 -1.26 0.39 115.64 119.69 2k75 s THR 36 Ca -0.13 0.82 0.03 0.00 0.31 0.00 0.00 61.69 62.72 2k75 s THR 36 Cb -0.17 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 2k75 s THR 36 CO 0.05 0.04 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.38 2k75 s LYS 37 N 1.54 0.70 0.30 4.92 -0.14 -0.23 -4.89 119.74 121.95 2k75 s LYS 37 Ca 0.67 -0.65 -0.25 0.00 -1.36 0.00 0.00 55.97 54.38 2k75 s LYS 37 Cb -0.37 -0.63 -0.09 0.00 -1.68 0.00 0.00 37.83 35.05 2k75 s LYS 37 CO 0.30 0.15 0.90 -1.12 -0.76 0.00 0.00 175.35 174.82 2k75 s SER 38 N -1.08 7.29 -0.01 2.83 0.01 -1.26 -1.94 113.70 119.54 2k75 s SER 38 Ca -0.02 1.75 0.01 0.00 1.31 0.00 0.00 55.95 59.00 2k75 s SER 38 Cb -0.07 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.61 2k75 s SER 38 CO 0.01 -0.03 -0.04 0.54 0.41 0.00 0.00 173.24 174.12 2k75 s VAL 39 N -1.57 0.36 -0.17 3.43 0.11 0.27 -1.88 120.40 120.94 2k75 s VAL 39 Ca 0.48 -0.18 -0.07 0.00 -2.93 0.00 0.00 61.98 59.28 2k75 s VAL 39 Cb -0.19 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 2k75 s VAL 39 CO 0.23 0.11 0.06 -0.31 -3.33 0.00 0.00 175.10 171.87 2k75 s TYR 40 N 0.00 3.27 0.18 1.54 1.51 0.40 -1.69 117.35 122.56 2k75 s TYR 40 Ca 0.00 0.11 0.09 0.00 -1.01 0.00 0.00 57.07 56.26 2k75 s TYR 40 Cb -0.03 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2k75 s TYR 40 CO -0.00 0.21 -0.19 -0.65 -1.11 0.00 0.00 175.55 173.81 2k75 s GLN 41 N 0.20 1.34 0.00 -0.62 -0.21 -0.78 -0.29 119.66 119.29 2k75 s GLN 41 Ca 0.04 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 53.96 2k75 s GLN 41 Cb -0.12 -1.42 0.00 0.00 1.00 0.00 0.00 33.01 32.47 2k75 s GLN 41 CO 0.00 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 2k75 n GLY 42 N 0.17 1.22 3.15 3.09 0.00 -0.91 -0.67 105.19 111.24 2k75 n GLY 42 Ca -0.12 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 2k75 n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k75 s TYR 43 N -2.27 1.45 -0.06 1.61 1.51 -0.15 -2.15 117.35 117.29 2k75 s TYR 43 Ca 0.00 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 2k75 s TYR 43 Cb 0.00 -0.93 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 2k75 s TYR 43 CO 0.00 -0.01 -0.21 -1.50 -1.11 0.00 0.00 175.55 172.72 2k75 s ILE 44 N -0.44 2.44 0.06 2.71 2.07 -1.01 -0.57 121.20 126.47 2k75 s ILE 44 Ca 0.06 -0.94 0.03 0.00 -1.41 0.00 0.00 60.65 58.40 2k75 s ILE 44 Cb -0.06 -1.92 -0.03 0.00 0.13 0.00 0.00 42.46 40.58 2k75 s ILE 44 CO -0.00 0.57 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.80 2k75 s GLU 45 N -0.34 0.67 0.00 3.50 2.12 -0.99 -2.07 118.70 121.58 2k75 s GLU 45 Ca 0.02 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.45 2k75 s GLU 45 Cb -0.12 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.81 2k75 s GLU 45 CO 0.02 0.08 0.00 -0.40 -0.54 0.00 0.00 175.26 174.42 2k75 n ASP 46 N 1.18 0.00 -0.23 -1.70 5.75 -0.83 -2.49 116.55 118.24 2k75 n ASP 46 Ca -0.21 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.72 2k75 n ASP 46 Cb 0.55 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 41.30 2k75 n ASP 46 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2k75 n ASP 47 N 0.00 0.76 -0.05 -1.12 5.75 -1.26 -4.28 116.55 116.35 2k75 n ASP 47 Ca 0.00 -1.05 -0.05 0.00 -0.01 0.00 0.00 54.79 53.68 2k75 n ASP 47 Cb 0.00 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.06 2k75 n ASP 47 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2k75 n THR 48 N -0.53 1.02 -1.21 2.12 -2.24 -1.26 -5.13 114.28 107.04 2k75 n THR 48 Ca 0.18 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 2k75 n THR 48 Cb 0.27 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 2k75 n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k75 n ALA 49 N -3.75 0.00 -2.84 6.98 0.00 -1.26 -4.95 120.51 114.69 2k75 n ALA 49 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 2k75 n ALA 49 Cb 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.64 2k75 n ALA 49 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k75 s ARG 50 N 2.25 0.39 0.09 0.00 1.70 -1.26 -1.96 118.95 120.17 2k75 s ARG 50 Ca 0.00 -0.70 -0.12 0.00 -0.47 0.00 0.00 55.73 54.45 2k75 s ARG 50 Cb 0.00 0.14 0.01 0.00 -0.57 0.00 0.00 34.95 34.53 2k75 s ARG 50 CO 0.00 -0.07 0.27 -1.50 -1.08 0.00 0.00 175.30 172.92 2k75 s ILE 51 N -1.91 0.11 0.45 4.99 2.07 -0.88 -4.99 121.20 121.04 2k75 s ILE 51 Ca -0.12 -0.90 -0.23 0.00 -1.41 0.00 0.00 60.65 58.00 2k75 s ILE 51 Cb -0.06 -1.20 -0.08 0.00 0.13 0.00 0.00 42.46 41.24 2k75 s ILE 51 CO -0.02 -0.50 1.11 -0.13 -1.91 0.00 0.00 174.94 173.49 2k75 s ARG 52 N -3.57 3.85 0.04 3.50 0.52 -1.26 -2.41 118.95 119.62 2k75 s ARG 52 Ca 0.02 1.64 0.02 0.00 -0.52 0.00 0.00 55.73 56.89 2k75 s ARG 52 Cb 0.03 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 2k75 s ARG 52 CO -0.10 -0.44 -0.07 0.96 0.02 0.00 0.00 175.30 175.67 2k75 s ILE 53 N -1.65 0.46 -0.04 1.52 -4.36 -0.91 -1.68 121.20 114.54 2k75 s ILE 53 Ca 0.63 -1.06 -0.03 0.00 -0.26 0.00 0.00 60.65 59.93 2k75 s ILE 53 Cb -0.25 -0.55 0.01 0.00 1.25 0.00 0.00 42.46 42.92 2k75 s ILE 53 CO 0.30 -0.41 0.10 -0.55 0.24 0.00 0.00 174.94 174.62 2k75 s SER 54 N -1.57 -0.09 -0.04 4.36 0.15 0.08 -2.13 113.70 114.45 2k75 s SER 54 Ca -0.11 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.76 2k75 s SER 54 Cb -0.10 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.39 2k75 s SER 54 CO 0.00 -0.05 -0.11 -0.55 1.20 0.00 0.00 173.24 173.73 2k75 s SER 55 N 0.25 1.51 -0.21 5.45 0.15 0.60 0.17 113.70 121.61 2k75 s SER 55 Ca -0.02 -0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.22 2k75 s SER 55 Cb -0.03 -0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.73 2k75 s SER 55 CO -0.01 0.06 0.47 -0.36 1.20 0.00 0.00 173.24 174.60 2k75 s PHE 56 N 0.35 3.35 0.00 3.44 0.08 -1.04 -0.45 117.98 123.71 2k75 s PHE 56 Ca -0.07 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.66 2k75 s PHE 56 Cb -0.12 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 2k75 s PHE 56 CO 0.02 -0.10 0.00 0.41 -0.10 0.00 0.00 175.22 175.45 2k75 n GLY 57 N 4.00 1.22 3.72 4.36 0.00 -0.79 -4.82 105.19 112.88 2k75 n GLY 57 Ca -0.06 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2k75 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k75 s LYS 58 N 0.00 4.39 0.22 1.61 1.02 -1.26 -4.96 119.74 120.76 2k75 s LYS 58 Ca 0.00 1.97 -0.00 0.00 0.02 0.00 0.00 55.97 57.95 2k75 s LYS 58 Cb 0.00 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2k75 s LYS 58 CO 0.00 -0.30 0.40 1.14 -0.92 0.00 0.00 175.35 175.68 2k75 s GLN 59 N 0.60 3.52 0.13 1.68 -2.07 -1.26 -4.53 119.66 117.73 2k75 s GLN 59 Ca 0.60 -0.35 0.09 0.00 -1.82 0.00 0.00 55.36 53.88 2k75 s GLN 59 Cb -0.34 -2.82 -0.04 0.00 -1.09 0.00 0.00 33.01 28.71 2k75 s GLN 59 CO 0.33 0.38 -0.22 -0.51 -1.32 0.00 0.00 175.29 173.95 2k75 s LEU 60 N -3.43 2.35 0.26 2.60 1.43 -1.26 -5.13 118.68 115.51 2k75 s LEU 60 Ca 0.38 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 2k75 s LEU 60 Cb -0.11 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 2k75 s LEU 60 CO 0.29 0.08 0.27 -1.10 0.23 0.00 0.00 176.35 176.12 2k75 s GLN 61 N -2.24 3.10 0.59 1.70 -0.21 -1.26 -4.88 119.66 116.46 2k75 s GLN 61 Ca 0.12 -0.96 -0.19 0.00 0.02 0.00 0.00 55.36 54.35 2k75 s GLN 61 Cb -0.09 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 2k75 s GLN 61 CO 0.06 0.38 1.19 0.34 -2.12 0.00 0.00 175.29 175.14 2k75 s ASP 62 N -3.91 5.28 -1.58 5.90 2.15 -1.26 -3.18 116.67 120.06 2k75 s ASP 62 Ca 0.34 2.34 -0.16 0.00 0.43 0.00 0.00 52.55 55.51 2k75 s ASP 62 Cb -0.08 -2.59 0.16 0.00 -0.30 0.00 0.00 42.92 40.10 2k75 s ASP 62 CO 0.27 -1.53 0.39 -1.54 -0.17 0.00 0.00 175.17 172.59 2k75 n SER 63 N -1.56 -0.98 -4.62 -0.34 3.41 0.64 -4.85 113.62 105.31 2k75 n SER 63 Ca 0.13 -1.11 -0.40 0.00 -0.26 0.00 0.00 58.87 57.23 2k75 n SER 63 Cb 0.50 -1.40 -0.07 0.00 -0.26 0.00 0.00 64.21 62.98 2k75 n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k75 s ASP 64 N -3.30 6.52 -0.46 4.04 -1.08 -0.97 -4.76 116.67 116.66 2k75 s ASP 64 Ca 0.55 0.64 -0.29 0.00 -0.52 0.00 0.00 52.55 52.93 2k75 s ASP 64 Cb -0.32 -2.32 0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2k75 s ASP 64 CO 0.90 -0.34 1.15 -0.69 0.52 0.00 0.00 175.17 176.71 2k75 s VAL 65 N 2.41 4.21 0.19 1.11 1.01 -1.26 -2.36 120.40 125.71 2k75 s VAL 65 Ca 0.24 1.25 -0.05 0.00 0.00 0.00 0.00 61.98 63.42 2k75 s VAL 65 Cb -0.16 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.62 2k75 s VAL 65 CO 0.09 -0.97 0.22 0.68 0.00 0.00 0.00 175.10 175.12 2k75 s VAL 66 N 4.45 0.03 -0.15 2.92 -7.23 -1.06 -1.98 120.40 117.37 2k75 s VAL 66 Ca 0.48 -1.75 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2k75 s VAL 66 Cb -0.08 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.63 2k75 s VAL 66 CO 0.31 -0.14 -0.18 -0.60 -0.31 0.00 0.00 175.10 174.18 2k75 s ARG 67 N -4.08 3.11 -0.21 4.82 3.52 -0.49 -3.01 118.95 122.61 2k75 s ARG 67 Ca 0.29 -0.80 -0.08 0.00 -0.13 0.00 0.00 55.73 55.01 2k75 s ARG 67 Cb 0.05 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 2k75 s ARG 67 CO 0.07 -0.03 0.08 0.42 -0.81 0.00 0.00 175.30 175.03 2k75 s ILE 68 N 0.90 4.76 -0.01 4.11 1.01 -0.64 -2.13 121.20 129.19 2k75 s ILE 68 Ca -0.04 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.64 2k75 s ILE 68 Cb -0.15 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2k75 s ILE 68 CO -0.03 0.40 -0.21 -1.81 0.00 0.00 0.00 174.94 173.29 2k75 s ASP 69 N 0.87 3.49 -1.07 3.58 1.01 -0.73 -1.39 116.67 122.43 2k75 s ASP 69 Ca 0.04 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 52.87 2k75 s ASP 69 Cb -0.14 -0.54 0.01 0.00 1.01 0.00 0.00 42.92 43.26 2k75 s ASP 69 CO 0.03 0.31 0.65 -3.20 0.21 0.00 0.00 175.17 173.17 2k75 n ASN 70 N 2.20 -5.06 -4.75 0.27 5.15 0.40 -2.61 115.26 110.87 2k75 n ASN 70 Ca -0.16 -0.30 -0.41 0.00 -0.60 0.00 0.00 54.58 53.11 2k75 n ASN 70 Cb 0.52 -3.78 -0.04 0.00 -0.53 0.00 0.00 39.78 35.94 2k75 n ASN 70 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k75 s ALA 71 N -3.12 3.43 -0.23 5.20 0.00 0.90 -4.63 121.76 123.32 2k75 s ALA 71 Ca 0.32 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 53.02 2k75 s ALA 71 Cb -0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2k75 s ALA 71 CO 0.40 -0.31 0.75 0.50 0.00 0.00 0.00 175.76 177.11 2k75 s ARG 72 N -0.99 4.19 0.05 0.00 3.52 -0.74 -2.12 118.95 122.86 2k75 s ARG 72 Ca 0.48 0.81 -0.26 0.00 -0.13 0.00 0.00 55.73 56.63 2k75 s ARG 72 Cb -0.33 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.38 2k75 s ARG 72 CO 0.41 -0.42 0.82 0.08 -0.81 0.00 0.00 175.30 175.38 2k75 s VAL 73 N 2.49 4.71 0.06 7.11 1.01 0.12 -0.33 120.40 135.58 2k75 s VAL 73 Ca 0.32 1.74 0.02 0.00 0.00 0.00 0.00 61.98 64.06 2k75 s VAL 73 Cb -0.16 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2k75 s VAL 73 CO 0.09 0.33 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 2k75 s ALA 74 N 0.09 0.70 -0.28 5.51 0.00 -0.08 -4.88 121.76 122.82 2k75 s ALA 74 Ca 0.41 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 2k75 s ALA 74 Cb -0.21 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.07 2k75 s ALA 74 CO 0.24 -0.15 -0.03 -1.14 0.00 0.00 0.00 175.76 174.68 2k75 s GLN 75 N -2.69 2.53 -0.15 0.00 0.74 -1.26 -0.61 119.66 118.21 2k75 s GLN 75 Ca -0.00 -1.19 0.00 0.00 0.05 0.00 0.00 55.36 54.22 2k75 s GLN 75 Cb -0.02 -3.08 -0.00 0.00 1.10 0.00 0.00 33.01 31.00 2k75 s GLN 75 CO -0.03 -0.55 -0.15 -0.06 -0.55 0.00 0.00 175.29 173.96 2k75 s PHE 76 N 1.26 2.78 -1.41 1.67 0.08 0.99 -4.63 117.98 118.71 2k75 s PHE 76 Ca -0.04 -1.00 -0.04 0.00 0.12 0.00 0.00 56.93 55.97 2k75 s PHE 76 Cb -0.19 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.40 2k75 s PHE 76 CO -0.03 -0.45 0.34 0.09 -0.10 0.00 0.00 175.22 175.08 2k75 n ASN 77 N 4.00 -4.96 0.00 1.36 5.03 -1.26 0.06 115.26 119.49 2k75 n ASN 77 Ca -0.19 -0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.10 2k75 n ASN 77 Cb 0.52 -4.09 0.00 0.00 -1.02 0.00 0.00 39.78 35.19 2k75 n ASN 77 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k75 n GLY 78 N -1.19 0.81 3.49 7.41 0.00 -1.26 -5.00 105.19 109.44 2k75 n GLY 78 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2k75 n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k75 s TYR 79 N -3.26 2.93 0.44 1.61 2.02 0.11 -5.10 117.35 116.09 2k75 s TYR 79 Ca 0.00 -0.28 -0.22 0.00 -0.37 0.00 0.00 57.07 56.21 2k75 s TYR 79 Cb 0.00 -1.83 -0.09 0.00 -0.40 0.00 0.00 41.96 39.63 2k75 s TYR 79 CO 0.00 0.05 1.01 -0.51 -1.57 0.00 0.00 175.55 174.53 2k75 s LEU 80 N -0.07 3.97 0.10 -1.29 1.43 -1.26 -0.01 118.68 121.55 2k75 s LEU 80 Ca 0.00 1.88 -0.16 0.00 -1.03 0.00 0.00 54.13 54.82 2k75 s LEU 80 Cb -0.13 -4.44 0.03 0.00 0.03 0.00 0.00 46.19 41.68 2k75 s LEU 80 CO 0.03 -0.56 0.39 -0.94 0.23 0.00 0.00 176.35 175.50 2k75 s SER 81 N -1.92 -0.22 -0.17 2.29 1.04 0.22 -4.18 113.70 110.76 2k75 s SER 81 Ca 0.63 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.77 2k75 s SER 81 Cb -0.16 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 2k75 s SER 81 CO 0.20 -0.79 -0.07 -0.76 0.98 0.00 0.00 173.24 172.80 2k75 s LEU 82 N -2.60 2.97 -0.21 2.42 1.43 -0.68 -0.90 118.68 121.10 2k75 s LEU 82 Ca 0.01 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 2k75 s LEU 82 Cb 0.01 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2k75 s LEU 82 CO -0.10 0.10 0.02 -0.44 0.23 0.00 0.00 176.35 176.17 2k75 s SER 83 N 0.75 4.95 -0.39 2.29 0.01 0.55 -0.74 113.70 121.12 2k75 s SER 83 Ca -0.03 -0.19 -0.15 0.00 1.31 0.00 0.00 55.95 56.89 2k75 s SER 83 Cb -0.15 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.23 2k75 s SER 83 CO 0.02 0.04 0.31 -0.69 0.41 0.00 0.00 173.24 173.33 2k75 s VAL 84 N 1.14 5.23 0.19 3.43 1.01 0.13 -1.80 120.40 129.73 2k75 s VAL 84 Ca 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2k75 s VAL 84 Cb -0.14 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.39 2k75 s VAL 84 CO 0.02 -0.23 0.26 0.61 0.00 0.00 0.00 175.10 175.76 2k75 n GLY 85 N 5.12 1.82 0.25 4.51 0.00 -1.26 -2.49 105.19 113.13 2k75 n GLY 85 Ca -0.11 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 43.73 2k75 n GLY 85 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k75 h ASP 86 N 0.01 0.57 0.57 1.61 3.58 -1.97 -2.16 116.42 118.63 2k75 h ASP 86 Ca -0.09 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2k75 h ASP 86 Cb 0.39 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2k75 h ASP 86 CO 0.12 0.76 0.00 -1.28 -2.88 0.00 0.00 179.24 175.96 2k75 h SER 87 N 0.52 0.00 -4.32 2.28 0.87 -1.96 -3.43 113.55 107.50 2k75 h SER 87 Ca 0.09 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.14 2k75 h SER 87 Cb 0.60 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.65 2k75 h SER 87 CO 0.04 0.00 0.37 -0.44 -0.53 0.00 0.00 176.83 176.27 2k75 s SER 88 N -4.70 5.43 -0.05 6.23 0.01 -0.81 -4.99 113.70 114.82 2k75 s SER 88 Ca 0.01 1.64 0.05 0.00 1.31 0.00 0.00 55.95 58.95 2k75 s SER 88 Cb 0.09 -2.50 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 2k75 s SER 88 CO 0.40 -1.41 -0.20 -0.60 0.41 0.00 0.00 173.24 171.84 2k75 s ARG 89 N -4.94 2.10 -0.09 12.44 3.52 -1.07 -4.93 118.95 125.98 2k75 s ARG 89 Ca 0.59 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 55.52 2k75 s ARG 89 Cb -0.14 -1.77 -0.01 0.00 -1.56 0.00 0.00 34.95 31.47 2k75 s ARG 89 CO 0.53 0.26 -0.23 0.42 -0.81 0.00 0.00 175.30 175.48 2k75 s ILE 90 N 0.05 2.22 -0.09 4.11 1.01 -1.26 -1.77 121.20 125.47 2k75 s ILE 90 Ca -0.06 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.65 2k75 s ILE 90 Cb -0.13 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.50 2k75 s ILE 90 CO 0.03 0.56 -0.21 -1.61 0.00 0.00 0.00 174.94 173.71 2k75 s GLU 91 N 0.16 2.68 0.47 2.79 2.02 -0.91 -4.97 118.70 120.94 2k75 s GLU 91 Ca -0.12 -0.76 -0.22 0.00 0.02 0.00 0.00 54.97 53.88 2k75 s GLU 91 Cb -0.16 -2.06 -0.07 0.00 0.10 0.00 0.00 34.13 31.93 2k75 s GLU 91 CO 0.07 0.15 1.14 -1.54 0.02 0.00 0.00 175.26 175.09 2k75 s SER 92 N 0.41 6.18 -0.06 -0.19 1.04 -1.26 -1.40 113.70 118.42 2k75 s SER 92 Ca -0.17 2.24 0.03 0.00 0.48 0.00 0.00 55.95 58.53 2k75 s SER 92 Cb -0.17 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2k75 s SER 92 CO 0.07 -0.90 -0.15 -0.69 0.98 0.00 0.00 173.24 172.55 2k75 s VAL 93 N -1.61 1.34 0.00 5.02 1.01 -0.84 -4.86 120.40 120.47 2k75 s VAL 93 Ca 0.64 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2k75 s VAL 93 Cb -0.27 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2k75 s VAL 93 CO 0.32 0.40 0.00 -3.20 0.00 0.00 0.00 175.10 172.62 2k75 n ASN 94 N 3.47 -4.20 -4.66 3.32 5.15 -1.26 -4.65 115.26 112.43 2k75 n ASN 94 Ca -0.20 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.43 2k75 n ASN 94 Cb 0.53 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.68 2k75 n ASN 94 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2k75 s VAL 95 N 0.00 4.96 0.00 3.44 0.11 -1.26 -5.09 120.40 122.57 2k75 s VAL 95 Ca 0.00 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2k75 s VAL 95 Cb 0.00 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 2k75 s VAL 95 CO 0.00 0.45 0.00 -0.46 -3.33 0.00 0.00 175.10 171.76 2k75 n ASN 96 N 3.53 0.08 -4.06 3.54 0.23 -1.26 -5.05 115.26 112.27 2k75 n ASN 96 Ca -0.16 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.54 2k75 n ASN 96 Cb 0.52 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 2k75 n ASN 96 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2k75 s ILE 97 N 2.60 3.98 0.67 1.53 -1.09 -1.26 -5.08 121.20 122.54 2k75 s ILE 97 Ca 0.00 -3.88 -0.14 0.00 -2.23 0.00 0.00 60.65 54.40 2k75 s ILE 97 Cb 0.00 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2k75 s ILE 97 CO 0.00 -1.05 1.09 -2.16 -1.23 0.00 0.00 174.94 171.59 2k75 s PRO 98 N -1.26 2.80 -0.71 2.79 0.04 -1.26 -4.18 135.00 133.22 2k75 s PRO 98 Ca 0.26 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.49 2k75 s PRO 98 Cb -0.08 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.52 2k75 s PRO 98 CO -0.12 -1.24 0.63 1.28 0.04 0.00 0.00 177.00 177.59 2k75 n LEU 99 N -2.59 -2.82 -1.13 -3.56 7.99 -1.26 -4.86 117.00 108.77 2k75 n LEU 99 Ca 0.10 -0.61 0.11 0.00 -0.01 0.00 0.00 56.01 55.59 2k75 n LEU 99 Cb 0.52 -1.88 0.23 0.00 -0.11 0.00 0.00 43.42 42.19 2k75 n LEU 99 CO 0.49 0.01 0.70 -1.84 -1.51 0.00 0.00 177.39 175.24 2k75 n GLU 100 N -1.85 2.51 -1.52 3.23 0.28 -1.26 -4.94 120.64 117.10 2k75 n GLU 100 Ca -0.21 -2.32 -0.35 0.00 -0.16 0.00 0.00 57.16 54.12 2k75 n GLU 100 Cb 0.66 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.91 2k75 n GLU 100 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2k75 n HIS 101 N 1.41 0.72 -0.41 -1.84 -0.00 -1.26 -4.62 115.22 109.21 2k75 n HIS 101 Ca 0.19 0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.61 2k75 n HIS 101 Cb 0.58 -2.18 0.00 0.00 -0.12 0.00 0.00 29.99 28.28 2k75 n HIS 101 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k75 n HIS 102 N 11.59 -0.77 -3.70 1.57 8.25 -1.26 -4.88 115.22 126.02 2k75 n HIS 102 Ca 0.58 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.92 2k75 n HIS 102 Cb 0.20 0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.23 2k75 n HIS 102 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k75 s HIS 103 N 0.00 -0.57 -0.34 4.41 2.46 -1.26 -5.05 115.29 114.93 2k75 s HIS 103 Ca 0.00 1.35 0.04 0.00 0.47 0.00 0.00 55.06 56.92 2k75 s HIS 103 Cb 0.00 0.22 0.16 0.00 -0.13 0.00 0.00 32.58 32.83 2k75 s HIS 103 CO 0.00 -0.28 1.15 -2.39 -2.47 0.00 0.00 174.74 170.75 2k75 n HIS 104 N 3.06 -1.03 -0.18 3.88 1.44 -1.26 -5.01 115.22 116.13 2k75 n HIS 104 Ca -0.15 -1.09 -0.10 0.00 -2.01 0.00 0.00 57.72 54.37 2k75 n HIS 104 Cb 0.57 1.31 0.02 0.00 0.12 0.00 0.00 29.99 32.01 2k75 n HIS 104 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2k75 h HIS 105 N 1.43 1.14 0.00 -1.40 3.86 -2.01 -3.57 115.15 114.61 2k75 h HIS 105 Ca -0.49 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 58.48 2k75 h HIS 105 Cb 1.26 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.45 2k75 h HIS 105 CO 0.03 1.06 0.00 1.58 0.86 0.00 0.00 177.93 181.47