#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 5.97 0.03 4.04 1.01 -1.26 -3.64 116.67 122.83 2k75 s ASP 2 Ca 0.00 2.10 -0.30 0.00 0.71 0.00 0.00 52.55 55.06 2k75 s ASP 2 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 2k75 s ASP 2 CO 0.00 -1.04 1.33 -0.22 0.21 0.00 0.00 175.17 175.45 2k75 s LEU 3 N -3.63 4.34 0.11 1.23 2.96 -1.26 -1.43 118.68 121.00 2k75 s LEU 3 Ca 0.70 2.11 -0.01 0.00 -0.22 0.00 0.00 54.13 56.71 2k75 s LEU 3 Cb -0.22 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2k75 s LEU 3 CO 0.25 -0.63 0.03 0.68 -1.32 0.00 0.00 176.35 175.36 2k75 s VAL 4 N 1.78 0.18 0.43 1.68 -7.23 -0.88 -4.92 120.40 111.44 2k75 s VAL 4 Ca 0.62 -1.89 -0.22 0.00 -1.81 0.00 0.00 61.98 58.68 2k75 s VAL 4 Cb -0.31 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 2k75 s VAL 4 CO 0.27 -0.60 1.01 -0.54 -0.31 0.00 0.00 175.10 174.93 2k75 s LYS 5 N -4.01 4.10 0.27 4.82 1.02 -1.26 -4.69 119.74 119.99 2k75 s LYS 5 Ca 0.20 1.34 -0.04 0.00 0.02 0.00 0.00 55.97 57.48 2k75 s LYS 5 Cb 0.07 -2.32 0.34 0.00 -0.52 0.00 0.00 37.83 35.40 2k75 s LYS 5 CO -0.01 -0.17 1.94 0.82 -0.92 0.00 0.00 175.35 177.01 2k75 h ILE 6 N 1.94 1.23 -0.30 2.17 1.08 -1.95 -1.77 117.51 119.91 2k75 h ILE 6 Ca -0.49 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 63.52 2k75 h ILE 6 Cb 1.21 -0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 2k75 h ILE 6 CO 0.61 0.23 0.05 -0.09 -0.69 0.00 0.00 178.15 178.26 2k75 h ARG 7 N 1.27 0.43 -0.32 2.37 9.65 -1.94 -1.64 114.38 124.20 2k75 h ARG 7 Ca 0.35 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 2k75 h ARG 7 Cb -0.12 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 2k75 h ARG 7 CO -0.08 0.42 0.00 -0.40 2.80 0.00 0.00 179.97 182.71 2k75 n ASP 8 N -4.35 0.93 -4.72 -3.80 5.68 -0.67 -4.86 116.55 104.77 2k75 n ASP 8 Ca 0.01 -2.04 -0.42 0.00 -0.50 0.00 0.00 54.79 51.84 2k75 n ASP 8 Cb 0.19 -0.19 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2k75 n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2k75 s VAL 9 N -1.71 3.63 0.22 2.12 1.01 -0.62 -4.93 120.40 120.12 2k75 s VAL 9 Ca 0.08 1.17 -0.21 0.00 0.00 0.00 0.00 61.98 63.03 2k75 s VAL 9 Cb 0.05 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.72 2k75 s VAL 9 CO 0.05 0.10 0.64 -0.94 0.00 0.00 0.00 175.10 174.94 2k75 s SER 10 N 1.05 -0.38 0.46 3.32 1.04 -1.26 -5.03 113.70 112.90 2k75 s SER 10 Ca 0.62 -0.36 0.14 0.00 0.48 0.00 0.00 55.95 56.83 2k75 s SER 10 Cb -0.34 0.65 1.03 0.00 0.10 0.00 0.00 66.02 67.47 2k75 s SER 10 CO 0.30 -1.15 2.02 -0.07 0.98 0.00 0.00 173.24 175.31 2k75 h LEU 11 N 2.03 0.02 -1.93 2.42 3.38 -1.94 -1.44 115.31 117.86 2k75 h LEU 11 Ca -0.26 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2k75 h LEU 11 Cb 1.28 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2k75 h LEU 11 CO 0.31 0.16 0.38 0.28 0.09 0.00 0.00 178.44 179.67 2k75 h SER 12 N 0.02 0.00 -3.80 -0.43 0.02 -1.97 -3.24 113.55 104.16 2k75 h SER 12 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 2k75 h SER 12 Cb 0.26 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.46 2k75 h SER 12 CO 0.02 0.00 -0.43 0.42 -1.14 0.00 0.00 176.83 175.70 2k75 s THR 13 N -4.21 3.62 -0.24 -2.27 -4.23 -0.54 -4.92 115.64 102.83 2k75 s THR 13 Ca -0.03 -2.49 0.28 0.00 -1.18 0.00 0.00 61.69 58.27 2k75 s THR 13 Cb 0.10 -3.40 0.35 0.00 1.34 0.00 0.00 72.50 70.88 2k75 s THR 13 CO 0.33 -0.80 1.80 1.55 -0.54 0.00 0.00 174.62 176.96 2k75 h PRO 14 N 7.58 0.00 -3.22 3.99 0.13 -1.80 -3.38 132.00 135.29 2k75 h PRO 14 Ca -0.08 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.76 2k75 h PRO 14 Cb 1.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.78 2k75 h PRO 14 CO 0.72 0.00 -0.66 0.71 -0.23 0.00 0.00 178.00 178.54 2k75 s TYR 15 N -3.41 -0.11 0.30 1.56 2.02 -1.26 -2.31 117.35 114.14 2k75 s TYR 15 Ca 0.05 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.08 2k75 s TYR 15 Cb 0.08 -0.25 0.01 0.00 -0.40 0.00 0.00 41.96 41.40 2k75 s TYR 15 CO 0.58 -0.21 0.57 0.14 -1.57 0.00 0.00 175.55 175.06 2k75 s VAL 16 N 1.84 0.00 0.08 0.71 -7.23 -0.25 -1.49 120.40 114.06 2k75 s VAL 16 Ca -0.01 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 58.91 2k75 s VAL 16 Cb -0.12 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2k75 s VAL 16 CO -0.05 0.00 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.13 2k75 s SER 17 N -3.06 2.01 0.06 4.85 0.01 -0.51 -2.05 113.70 115.00 2k75 s SER 17 Ca 0.21 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 2k75 s SER 17 Cb -0.02 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 2k75 s SER 17 CO 0.11 -0.01 0.03 0.68 0.41 0.00 0.00 173.24 174.46 2k75 s VAL 18 N -1.18 0.19 -0.03 3.43 -7.23 -0.50 -2.07 120.40 113.03 2k75 s VAL 18 Ca 0.02 -1.58 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 2k75 s VAL 18 Cb -0.10 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.48 2k75 s VAL 18 CO 0.03 -0.87 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.28 2k75 s ILE 19 N -3.70 0.39 -1.12 -0.62 1.01 -1.26 -1.05 121.20 114.84 2k75 s ILE 19 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2k75 s ILE 19 Cb 0.06 -0.40 0.00 0.00 0.01 0.00 0.00 42.46 42.13 2k75 s ILE 19 CO -0.09 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2k75 n GLY 20 N 3.67 -0.57 3.40 6.18 0.00 -1.16 -4.77 105.19 111.94 2k75 n GLY 20 Ca -0.22 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 2k75 n GLY 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k75 s LYS 21 N -0.45 3.41 -0.17 1.61 2.20 -0.85 -1.84 119.74 123.65 2k75 s LYS 21 Ca 0.00 -0.65 -0.09 0.00 -0.36 0.00 0.00 55.97 54.87 2k75 s LYS 21 Cb 0.00 -2.68 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 2k75 s LYS 21 CO 0.00 0.24 0.15 0.42 -0.36 0.00 0.00 175.35 175.80 2k75 s ILE 22 N 0.29 5.43 -0.02 5.43 1.01 -0.99 -2.02 121.20 130.32 2k75 s ILE 22 Ca -0.08 0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 2k75 s ILE 22 Cb -0.15 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.86 2k75 s ILE 22 CO 0.05 0.49 0.19 -0.89 0.00 0.00 0.00 174.94 174.78 2k75 s THR 23 N -0.06 0.06 0.00 2.92 2.01 -0.52 0.73 115.64 120.77 2k75 s THR 23 Ca 0.11 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2k75 s THR 23 Cb -0.12 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 71.96 2k75 s THR 23 CO 0.00 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.29 2k75 n GLY 24 N 1.81 -0.19 3.56 4.40 0.00 -1.26 -2.13 105.19 111.38 2k75 n GLY 24 Ca -0.20 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2k75 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k75 s ILE 25 N -1.47 5.06 -0.21 -0.61 1.09 -1.26 -3.54 121.20 120.26 2k75 s ILE 25 Ca 0.00 0.28 -0.04 0.00 -1.10 0.00 0.00 60.65 59.79 2k75 s ILE 25 Cb 0.00 -3.92 -0.01 0.00 -1.06 0.00 0.00 42.46 37.47 2k75 s ILE 25 CO 0.00 -0.17 -0.04 -1.00 -0.10 0.00 0.00 174.94 173.62 2k75 s HIS 26 N 2.29 2.96 -0.03 3.97 3.76 0.09 -4.91 115.29 123.41 2k75 s HIS 26 Ca 0.17 -0.82 -0.21 0.00 -0.15 0.00 0.00 55.06 54.05 2k75 s HIS 26 Cb -0.16 -2.07 -0.05 0.00 1.11 0.00 0.00 32.58 31.41 2k75 s HIS 26 CO 0.13 -0.46 0.60 0.21 -0.85 0.00 0.00 174.74 174.37 2k75 s LYS 27 N 1.27 4.34 0.01 1.40 2.20 -1.26 -1.59 119.74 126.10 2k75 s LYS 27 Ca 0.03 0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 56.24 2k75 s LYS 27 Cb -0.14 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 2k75 s LYS 27 CO -0.01 0.28 0.26 0.21 -0.36 0.00 0.00 175.35 175.72 2k75 s LYS 28 N 0.11 0.66 -0.05 4.03 2.20 -0.67 -4.98 119.74 121.03 2k75 s LYS 28 Ca 0.32 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 2k75 s LYS 28 Cb -0.18 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 2k75 s LYS 28 CO 0.16 -0.18 -0.09 -1.21 -0.36 0.00 0.00 175.35 173.66 2k75 s GLU 29 N -1.72 2.63 0.06 4.03 8.01 -1.26 0.02 118.70 130.47 2k75 s GLU 29 Ca -0.11 -0.62 -0.03 0.00 0.01 0.00 0.00 54.97 54.22 2k75 s GLU 29 Cb -0.04 -2.50 -0.03 0.00 -4.31 0.00 0.00 34.13 27.24 2k75 s GLU 29 CO 0.01 0.64 0.02 1.52 0.01 0.00 0.00 175.26 177.46 2k75 s TYR 30 N -0.81 0.43 -0.74 1.61 1.13 -1.04 -4.99 117.35 112.94 2k75 s TYR 30 Ca 0.13 -0.95 -0.20 0.00 -1.41 0.00 0.00 57.07 54.64 2k75 s TYR 30 Cb -0.11 -0.31 0.11 0.00 -1.10 0.00 0.00 41.96 40.55 2k75 s TYR 30 CO 0.02 -0.41 0.93 -1.21 -2.51 0.00 0.00 175.55 172.37 2k75 s GLU 31 N -3.83 3.29 0.00 -3.49 2.02 -1.26 -2.05 118.70 113.38 2k75 s GLU 31 Ca 0.06 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.65 2k75 s GLU 31 Cb 0.07 -4.49 0.00 0.00 0.10 0.00 0.00 34.13 29.81 2k75 s GLU 31 CO -0.10 -1.69 0.00 0.45 0.02 0.00 0.00 175.26 173.94 2k75 n SER 32 N 6.68 0.00 -4.07 -0.19 2.88 0.29 -4.65 113.62 114.56 2k75 n SER 32 Ca 0.05 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.40 2k75 n SER 32 Cb 0.46 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.83 2k75 n SER 32 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k75 n ASP 33 N 0.00 0.37 -1.98 -3.46 -0.08 -1.26 -2.72 116.55 107.42 2k75 n ASP 33 Ca 0.00 -2.06 -0.20 0.00 -1.51 0.00 0.00 54.79 51.03 2k75 n ASP 33 Cb 0.00 -0.94 -0.05 0.00 2.34 0.00 0.00 41.12 42.48 2k75 n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k75 n GLY 34 N 5.17 0.73 3.16 0.27 0.00 -1.26 -4.94 105.19 108.31 2k75 n GLY 34 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 2k75 n GLY 34 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k75 s THR 35 N -2.83 0.01 -0.15 2.61 -1.32 -1.10 -5.13 115.64 107.72 2k75 s THR 35 Ca 0.00 -0.06 -0.21 0.00 -1.21 0.00 0.00 61.69 60.21 2k75 s THR 35 Cb 0.00 -0.40 -0.03 0.00 -1.51 0.00 0.00 72.50 70.56 2k75 s THR 35 CO 0.00 -0.03 0.64 -0.89 -2.21 0.00 0.00 174.62 172.13 2k75 s THR 36 N -0.01 5.04 0.03 5.08 2.01 -1.26 0.11 115.64 126.63 2k75 s THR 36 Ca -0.01 1.24 0.02 0.00 0.31 0.00 0.00 61.69 63.25 2k75 s THR 36 Cb -0.02 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 2k75 s THR 36 CO 0.01 0.17 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.50 2k75 s LYS 37 N 1.50 0.46 0.31 4.92 1.02 -0.87 -4.93 119.74 122.14 2k75 s LYS 37 Ca 0.31 -0.58 -0.24 0.00 0.02 0.00 0.00 55.97 55.48 2k75 s LYS 37 Cb -0.16 -0.26 -0.10 0.00 -0.52 0.00 0.00 37.83 36.79 2k75 s LYS 37 CO 0.12 0.05 0.88 0.45 -0.92 0.00 0.00 175.35 175.94 2k75 s SER 38 N -1.17 7.22 -0.02 2.83 0.15 -1.26 -2.51 113.70 118.94 2k75 s SER 38 Ca -0.08 1.70 0.02 0.00 0.70 0.00 0.00 55.95 58.30 2k75 s SER 38 Cb -0.08 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2k75 s SER 38 CO 0.00 -0.07 -0.08 0.54 1.20 0.00 0.00 173.24 174.83 2k75 s VAL 39 N -1.65 0.72 -0.17 4.45 0.11 0.10 -1.49 120.40 122.47 2k75 s VAL 39 Ca 0.49 -0.33 -0.07 0.00 -2.93 0.00 0.00 61.98 59.15 2k75 s VAL 39 Cb -0.17 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 2k75 s VAL 39 CO 0.22 0.23 0.04 -0.31 -3.33 0.00 0.00 175.10 171.95 2k75 s TYR 40 N 0.19 3.21 0.05 1.54 2.02 0.15 -1.67 117.35 122.83 2k75 s TYR 40 Ca -0.03 0.00 0.09 0.00 -0.37 0.00 0.00 57.07 56.76 2k75 s TYR 40 Cb -0.08 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 2k75 s TYR 40 CO 0.00 0.13 -0.24 -0.65 -1.57 0.00 0.00 175.55 173.22 2k75 s GLN 41 N 0.33 1.63 0.03 -0.62 -0.21 -0.62 -0.59 119.66 119.60 2k75 s GLN 41 Ca 0.02 -1.05 -0.03 0.00 0.02 0.00 0.00 55.36 54.32 2k75 s GLN 41 Cb -0.13 -1.79 0.01 0.00 1.00 0.00 0.00 33.01 32.11 2k75 s GLN 41 CO 0.01 0.46 0.16 0.41 -2.12 0.00 0.00 175.29 174.21 2k75 n GLY 42 N 1.79 1.19 3.35 3.09 0.00 -1.02 -0.73 105.19 112.87 2k75 n GLY 42 Ca -0.17 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 -5.39 2.34 -0.04 1.61 1.51 -0.90 -1.07 117.35 115.41 2k75 s TYR 43 Ca 0.04 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 2k75 s TYR 43 Cb -0.00 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.43 2k75 s TYR 43 CO 0.01 0.12 -0.22 -1.50 -1.11 0.00 0.00 175.55 172.85 2k75 s ILE 44 N -0.80 1.78 0.16 2.71 2.07 -0.88 -1.44 121.20 124.79 2k75 s ILE 44 Ca 0.12 -0.93 0.08 0.00 -1.41 0.00 0.00 60.65 58.51 2k75 s ILE 44 Cb -0.10 -1.50 -0.04 0.00 0.13 0.00 0.00 42.46 40.95 2k75 s ILE 44 CO 0.02 0.50 -0.18 -1.83 -1.91 0.00 0.00 174.94 171.54 2k75 s GLU 45 N -0.23 1.25 0.00 3.50 1.03 -0.86 -2.09 118.70 121.30 2k75 s GLU 45 Ca 0.01 -1.39 0.00 0.00 0.03 0.00 0.00 54.97 53.62 2k75 s GLU 45 Cb -0.11 -1.31 0.00 0.00 -0.80 0.00 0.00 34.13 31.91 2k75 s GLU 45 CO 0.02 0.27 0.00 -3.47 -1.33 0.00 0.00 175.26 170.74 2k75 n ASP 46 N 0.34 0.00 0.26 0.83 -0.08 -0.73 -2.01 116.55 115.16 2k75 n ASP 46 Ca -0.14 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.30 2k75 n ASP 46 Cb 0.57 0.00 0.50 0.00 2.34 0.00 0.00 41.12 44.53 2k75 n ASP 46 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2k75 h ASP 47 N 0.00 0.00 0.00 1.67 3.32 -2.01 -3.39 116.42 116.01 2k75 h ASP 47 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k75 h ASP 47 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k75 h ASP 47 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 2k75 n THR 48 N -3.08 0.00 -1.22 0.35 -2.24 -1.26 -5.12 114.28 101.71 2k75 n THR 48 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2k75 n THR 48 Cb 0.39 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.73 0.00 -2.72 6.98 0.00 -1.26 -5.07 120.51 115.70 2k75 n ALA 49 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2k75 n ALA 49 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 3.17 0.84 0.11 0.00 1.70 -1.26 -1.78 118.95 121.74 2k75 s ARG 50 Ca 0.00 -0.81 -0.13 0.00 -0.47 0.00 0.00 55.73 54.32 2k75 s ARG 50 Cb 0.00 0.35 0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2k75 s ARG 50 CO 0.00 -0.27 0.32 -1.50 -1.08 0.00 0.00 175.30 172.77 2k75 s ILE 51 N -3.46 0.10 0.35 4.99 2.07 -0.89 -4.97 121.20 119.39 2k75 s ILE 51 Ca 0.02 -0.83 -0.25 0.00 -1.41 0.00 0.00 60.65 58.17 2k75 s ILE 51 Cb 0.03 -1.26 -0.10 0.00 0.13 0.00 0.00 42.46 41.26 2k75 s ILE 51 CO -0.09 -0.44 0.97 -0.60 -1.91 0.00 0.00 174.94 172.88 2k75 s ARG 52 N -3.83 4.47 0.15 3.50 3.52 -1.26 -2.08 118.95 123.42 2k75 s ARG 52 Ca 0.04 1.37 0.05 0.00 -0.13 0.00 0.00 55.73 57.06 2k75 s ARG 52 Cb 0.03 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 2k75 s ARG 52 CO -0.11 0.17 -0.11 0.96 -0.81 0.00 0.00 175.30 175.40 2k75 s ILE 53 N -1.66 1.20 -0.10 4.11 -4.36 -0.23 -2.34 121.20 117.83 2k75 s ILE 53 Ca 0.52 -2.04 -0.04 0.00 -0.26 0.00 0.00 60.65 58.84 2k75 s ILE 53 Cb -0.19 -1.83 0.05 0.00 1.25 0.00 0.00 42.46 41.75 2k75 s ILE 53 CO 0.24 -0.72 0.17 -0.44 0.24 0.00 0.00 174.94 174.43 2k75 s SER 54 N -3.12 0.84 -0.03 4.36 0.01 -1.01 -2.42 113.70 112.32 2k75 s SER 54 Ca 0.16 0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.70 2k75 s SER 54 Cb 0.02 0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 2k75 s SER 54 CO 0.01 -0.26 -0.04 -0.94 0.41 0.00 0.00 173.24 172.42 2k75 s SER 55 N 2.30 4.85 -0.30 2.44 1.04 0.24 -0.98 113.70 123.29 2k75 s SER 55 Ca 0.03 -0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.33 2k75 s SER 55 Cb -0.12 -1.23 -0.02 0.00 0.10 0.00 0.00 66.02 64.74 2k75 s SER 55 CO -0.07 0.32 0.17 -0.36 0.98 0.00 0.00 173.24 174.28 2k75 s PHE 56 N -0.95 3.18 0.00 5.02 0.08 -0.99 -0.68 117.98 123.65 2k75 s PHE 56 Ca 0.16 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2k75 s PHE 56 Cb -0.11 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 2k75 s PHE 56 CO 0.06 -0.35 0.00 0.41 -0.10 0.00 0.00 175.22 175.24 2k75 n GLY 57 N 5.02 0.94 3.72 4.36 0.00 -0.55 -4.49 105.19 114.18 2k75 n GLY 57 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2k75 n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k75 s LYS 58 N 0.00 4.26 0.13 1.61 2.47 -1.26 -4.98 119.74 121.98 2k75 s LYS 58 Ca 0.00 2.23 -0.26 0.00 -1.56 0.00 0.00 55.97 56.38 2k75 s LYS 58 Cb 0.00 -3.20 -0.07 0.00 -1.46 0.00 0.00 37.83 33.10 2k75 s LYS 58 CO 0.00 -0.53 0.80 -1.14 0.16 0.00 0.00 175.35 174.64 2k75 s GLN 59 N 1.14 4.58 0.09 4.03 0.74 -1.26 -4.75 119.66 124.23 2k75 s GLN 59 Ca 0.68 1.17 0.06 0.00 0.05 0.00 0.00 55.36 57.32 2k75 s GLN 59 Cb -0.40 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 2k75 s GLN 59 CO 0.31 0.46 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.83 2k75 s LEU 60 N -0.74 2.31 -0.01 3.68 1.43 -1.26 -5.15 118.68 118.93 2k75 s LEU 60 Ca 0.38 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2k75 s LEU 60 Cb -0.23 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 2k75 s LEU 60 CO 0.26 -0.04 -0.04 -1.10 0.23 0.00 0.00 176.35 175.66 2k75 s GLN 61 N -1.94 2.68 0.29 1.70 -1.52 -1.26 -4.97 119.66 114.64 2k75 s GLN 61 Ca 0.03 -0.64 -0.29 0.00 -1.95 0.00 0.00 55.36 52.50 2k75 s GLN 61 Cb -0.09 -2.59 -0.10 0.00 -0.22 0.00 0.00 33.01 30.01 2k75 s GLN 61 CO 0.03 0.62 1.33 -0.51 -0.25 0.00 0.00 175.29 176.52 2k75 s ASP 62 N -1.37 6.77 -0.42 5.90 1.01 -1.26 -3.96 116.67 123.35 2k75 s ASP 62 Ca 0.17 2.63 -0.24 0.00 0.71 0.00 0.00 52.55 55.82 2k75 s ASP 62 Cb -0.11 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.22 2k75 s ASP 62 CO 0.07 -0.56 0.59 -0.24 0.21 0.00 0.00 175.17 175.24 2k75 n SER 63 N 1.45 -6.96 -3.66 0.27 2.88 0.22 -4.93 113.62 102.90 2k75 n SER 63 Ca 0.02 0.29 -0.08 0.00 -1.33 0.00 0.00 58.87 57.78 2k75 n SER 63 Cb 0.42 -3.82 -0.09 0.00 -0.75 0.00 0.00 64.21 59.97 2k75 n SER 63 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2k75 s ASP 64 N -2.08 -0.42 -0.16 -3.46 -4.77 -0.93 -4.93 116.67 99.91 2k75 s ASP 64 Ca 0.29 1.07 -0.29 0.00 -3.30 0.00 0.00 52.55 50.31 2k75 s ASP 64 Cb -0.05 1.38 -0.02 0.00 -1.09 0.00 0.00 42.92 43.14 2k75 s ASP 64 CO 0.79 -0.23 1.32 0.68 0.70 0.00 0.00 175.17 178.44 2k75 s VAL 65 N 2.43 4.17 0.17 2.11 -7.23 -1.26 -2.34 120.40 118.45 2k75 s VAL 65 Ca -0.04 1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 61.51 2k75 s VAL 65 Cb -0.11 -3.94 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 2k75 s VAL 65 CO -0.14 -0.16 0.13 0.68 -0.31 0.00 0.00 175.10 175.30 2k75 s VAL 66 N 3.69 0.04 -0.16 1.32 -7.23 -0.77 -2.53 120.40 114.76 2k75 s VAL 66 Ca 0.58 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 2k75 s VAL 66 Cb -0.23 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 2k75 s VAL 66 CO 0.17 -0.20 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.06 2k75 s ARG 67 N -4.10 3.36 -0.27 4.82 3.52 -0.35 -3.01 118.95 122.93 2k75 s ARG 67 Ca 0.31 -0.67 -0.08 0.00 -0.13 0.00 0.00 55.73 55.16 2k75 s ARG 67 Cb 0.07 -2.75 -0.02 0.00 -1.56 0.00 0.00 34.95 30.69 2k75 s ARG 67 CO 0.07 0.06 0.09 0.42 -0.81 0.00 0.00 175.30 175.13 2k75 s ILE 68 N 0.75 4.33 0.14 4.11 1.01 -0.22 -2.34 121.20 128.98 2k75 s ILE 68 Ca -0.05 -0.30 0.10 0.00 0.00 0.00 0.00 60.65 60.41 2k75 s ILE 68 Cb -0.15 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2k75 s ILE 68 CO 0.01 0.24 -0.24 -1.81 0.00 0.00 0.00 174.94 173.15 2k75 s ASP 69 N 1.60 3.05 -1.38 3.58 1.01 -0.60 -1.41 116.67 122.52 2k75 s ASP 69 Ca 0.05 -0.77 -0.06 0.00 0.71 0.00 0.00 52.55 52.49 2k75 s ASP 69 Cb -0.16 -0.20 0.01 0.00 1.01 0.00 0.00 42.92 43.58 2k75 s ASP 69 CO 0.04 0.11 0.77 -3.20 0.21 0.00 0.00 175.17 173.10 2k75 n ASN 70 N 0.76 -5.94 -4.87 0.27 2.85 -1.25 -2.52 115.26 104.57 2k75 n ASN 70 Ca -0.17 -0.36 -0.34 0.00 -0.11 0.00 0.00 54.58 53.61 2k75 n ASN 70 Cb 0.54 -4.68 -0.05 0.00 1.24 0.00 0.00 39.78 36.83 2k75 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k75 s ALA 71 N -3.20 3.65 0.13 5.20 0.00 -0.87 -4.69 121.76 121.97 2k75 s ALA 71 Ca 0.38 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.07 2k75 s ALA 71 Cb -0.17 -2.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2k75 s ALA 71 CO 0.47 0.53 0.17 -0.98 0.00 0.00 0.00 175.76 175.95 2k75 s ARG 72 N -2.30 3.09 -0.18 0.00 1.70 -0.91 -1.09 118.95 119.25 2k75 s ARG 72 Ca 0.40 -0.71 -0.09 0.00 -0.47 0.00 0.00 55.73 54.85 2k75 s ARG 72 Cb -0.13 -2.79 -0.05 0.00 -0.57 0.00 0.00 34.95 31.42 2k75 s ARG 72 CO 0.20 0.53 0.13 0.08 -1.08 0.00 0.00 175.30 175.16 2k75 s VAL 73 N -1.63 5.39 0.04 4.99 1.01 -0.98 -1.45 120.40 127.78 2k75 s VAL 73 Ca 0.32 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 2k75 s VAL 73 Cb -0.11 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 2k75 s VAL 73 CO 0.25 0.49 0.11 0.00 0.00 0.00 0.00 175.10 175.95 2k75 s ALA 74 N -0.00 -0.09 -0.22 5.51 0.00 -0.82 -4.88 121.76 121.25 2k75 s ALA 74 Ca 0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 2k75 s ALA 74 Cb -0.11 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 2k75 s ALA 74 CO -0.00 -0.34 -0.05 -1.14 0.00 0.00 0.00 175.76 174.23 2k75 s GLN 75 N -2.76 3.28 -0.07 0.00 0.74 -1.26 -1.11 119.66 118.47 2k75 s GLN 75 Ca -0.04 -0.69 0.05 0.00 0.05 0.00 0.00 55.36 54.73 2k75 s GLN 75 Cb -0.00 -3.00 -0.00 0.00 1.10 0.00 0.00 33.01 31.11 2k75 s GLN 75 CO -0.05 -0.23 -0.23 -0.06 -0.55 0.00 0.00 175.29 174.17 2k75 s PHE 76 N 1.45 2.31 -1.89 1.67 0.08 0.44 -4.64 117.98 117.39 2k75 s PHE 76 Ca 0.05 -0.81 0.00 0.00 0.12 0.00 0.00 56.93 56.29 2k75 s PHE 76 Cb -0.15 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.77 2k75 s PHE 76 CO -0.04 -0.30 0.00 -1.71 -0.10 0.00 0.00 175.22 173.08 2k75 n ASN 77 N 3.27 -5.13 0.00 1.36 2.85 -1.26 -0.24 115.26 116.11 2k75 n ASN 77 Ca -0.19 0.34 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 2k75 n ASN 77 Cb 0.52 -4.49 0.00 0.00 1.24 0.00 0.00 39.78 37.06 2k75 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k75 n GLY 78 N -0.54 0.71 3.35 8.20 0.00 -1.26 -5.04 105.19 110.61 2k75 n GLY 78 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.44 2.55 0.38 1.61 2.02 0.66 -5.10 117.35 117.02 2k75 s TYR 79 Ca 0.00 -0.51 -0.25 0.00 -0.37 0.00 0.00 57.07 55.94 2k75 s TYR 79 Cb 0.00 -1.63 -0.09 0.00 -0.40 0.00 0.00 41.96 39.84 2k75 s TYR 79 CO 0.00 -0.07 1.04 -0.51 -1.57 0.00 0.00 175.55 174.44 2k75 s LEU 80 N -0.32 4.20 0.15 -1.29 1.43 -1.26 -0.42 118.68 121.16 2k75 s LEU 80 Ca 0.02 2.04 -0.20 0.00 -1.03 0.00 0.00 54.13 54.97 2k75 s LEU 80 Cb -0.13 -4.11 0.05 0.00 0.03 0.00 0.00 46.19 42.04 2k75 s LEU 80 CO 0.02 -0.41 0.51 -0.94 0.23 0.00 0.00 176.35 175.75 2k75 s SER 81 N -1.49 -0.40 -0.39 2.29 1.04 -0.27 -4.48 113.70 110.00 2k75 s SER 81 Ca 0.56 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.71 2k75 s SER 81 Cb -0.23 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.47 2k75 s SER 81 CO 0.29 -0.92 0.22 -0.76 0.98 0.00 0.00 173.24 173.05 2k75 s LEU 82 N -2.78 4.84 0.10 2.42 1.43 -0.99 -1.94 118.68 121.77 2k75 s LEU 82 Ca 0.02 -1.13 -0.19 0.00 -1.03 0.00 0.00 54.13 51.81 2k75 s LEU 82 Cb 0.00 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.14 2k75 s LEU 82 CO -0.12 -0.43 0.59 -0.44 0.23 0.00 0.00 176.35 176.18 2k75 s SER 83 N 1.71 7.04 -0.12 2.29 0.01 -0.53 -2.41 113.70 121.70 2k75 s SER 83 Ca 0.02 1.26 0.03 0.00 1.31 0.00 0.00 55.95 58.57 2k75 s SER 83 Cb -0.20 -2.36 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2k75 s SER 83 CO 0.06 0.22 -0.20 -0.69 0.41 0.00 0.00 173.24 173.04 2k75 s VAL 84 N -1.21 1.86 0.49 3.43 1.01 -0.15 -2.14 120.40 123.69 2k75 s VAL 84 Ca 0.32 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2k75 s VAL 84 Cb -0.19 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2k75 s VAL 84 CO 0.20 0.51 0.67 -0.83 0.00 0.00 0.00 175.10 175.65 2k75 s GLY 85 N 0.71 1.86 0.45 4.51 0.00 -1.26 -2.33 107.32 111.25 2k75 s GLY 85 Ca -0.11 -1.84 0.30 0.00 0.00 0.00 0.00 44.72 43.07 2k75 s GLY 85 CO 0.02 -1.54 1.90 -0.55 0.00 0.00 0.00 173.10 172.92 2k75 h ASP 86 N 0.43 0.00 0.44 1.64 3.32 -2.01 -1.37 116.42 118.87 2k75 h ASP 86 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2k75 h ASP 86 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2k75 h ASP 86 CO 0.44 0.00 -0.13 -1.20 -1.72 0.00 0.00 179.24 176.62 2k75 n SER 87 N -2.77 0.42 -4.83 6.45 7.64 -1.26 -4.87 113.62 114.40 2k75 n SER 87 Ca 0.01 -0.43 -0.29 0.00 1.01 0.00 0.00 58.87 59.17 2k75 n SER 87 Cb 0.26 -0.09 0.11 0.00 -1.01 0.00 0.00 64.21 63.48 2k75 n SER 87 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k75 s SER 88 N -2.58 4.07 -0.14 6.43 1.04 -0.52 -5.05 113.70 116.96 2k75 s SER 88 Ca 0.26 0.96 0.02 0.00 0.48 0.00 0.00 55.95 57.67 2k75 s SER 88 Cb 0.20 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.79 2k75 s SER 88 CO 0.50 -2.20 -0.19 -0.60 0.98 0.00 0.00 173.24 171.73 2k75 s ARG 89 N -5.36 2.72 -0.09 4.02 3.52 -1.05 -4.98 118.95 117.73 2k75 s ARG 89 Ca 0.62 -0.74 0.03 0.00 -0.13 0.00 0.00 55.73 55.51 2k75 s ARG 89 Cb -0.13 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.98 2k75 s ARG 89 CO 0.52 -0.09 -0.18 0.42 -0.81 0.00 0.00 175.30 175.16 2k75 s ILE 90 N 1.03 1.61 -0.12 4.11 1.01 -1.26 -1.55 121.20 126.03 2k75 s ILE 90 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.88 2k75 s ILE 90 Cb -0.15 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2k75 s ILE 90 CO -0.05 0.46 -0.13 -1.61 0.00 0.00 0.00 174.94 173.61 2k75 s GLU 91 N 0.59 2.08 0.37 2.79 2.02 -0.99 -4.97 118.70 120.59 2k75 s GLU 91 Ca -0.15 -0.49 -0.26 0.00 0.02 0.00 0.00 54.97 54.09 2k75 s GLU 91 Cb -0.17 -1.87 -0.09 0.00 0.10 0.00 0.00 34.13 32.11 2k75 s GLU 91 CO 0.05 -0.15 1.08 0.45 0.02 0.00 0.00 175.26 176.71 2k75 s SER 92 N 1.25 6.84 -0.11 -0.19 0.15 -1.26 -1.21 113.70 119.16 2k75 s SER 92 Ca -0.02 2.15 0.01 0.00 0.70 0.00 0.00 55.95 58.79 2k75 s SER 92 Cb -0.14 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 2k75 s SER 92 CO -0.05 -0.44 -0.14 0.68 1.20 0.00 0.00 173.24 174.50 2k75 s VAL 93 N -1.49 3.03 0.85 4.45 -7.23 -1.05 -4.91 120.40 114.05 2k75 s VAL 93 Ca 0.54 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 59.91 2k75 s VAL 93 Cb -0.26 -2.25 0.10 0.00 0.56 0.00 0.00 36.38 34.52 2k75 s VAL 93 CO 0.33 0.54 1.12 0.21 -0.31 0.00 0.00 175.10 176.99 2k75 s ASN 94 N 0.14 4.09 0.80 4.85 3.84 -1.26 -4.66 114.94 122.75 2k75 s ASN 94 Ca -0.07 1.10 0.00 0.00 0.21 0.00 0.00 52.86 54.10 2k75 s ASN 94 Cb -0.15 -1.75 0.00 0.00 -0.55 0.00 0.00 41.25 38.80 2k75 s ASN 94 CO 0.05 -2.20 0.00 0.52 -2.79 0.00 0.00 177.10 172.68 2k75 n VAL 95 N -3.56 0.00 -3.06 -5.21 0.31 -1.26 -3.79 118.33 101.76 2k75 n VAL 95 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2k75 n VAL 95 Cb 0.58 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.51 2k75 n VAL 95 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2k75 s ASN 96 N -4.00 -1.30 -0.53 4.52 3.84 -1.26 -5.00 114.94 111.22 2k75 s ASN 96 Ca 0.00 -0.81 -0.21 0.00 0.21 0.00 0.00 52.86 52.04 2k75 s ASN 96 Cb 0.00 1.67 0.03 0.00 -0.55 0.00 0.00 41.25 42.40 2k75 s ASN 96 CO 0.00 -0.13 0.64 -0.38 -2.79 0.00 0.00 177.10 174.44 2k75 n ILE 97 N 4.03 -7.15 -1.74 -5.21 5.41 -1.25 -4.88 119.36 108.57 2k75 n ILE 97 Ca 0.11 0.32 -0.38 0.00 1.00 0.00 0.00 62.75 63.80 2k75 n ILE 97 Cb 0.58 -5.21 0.05 0.00 -0.71 0.00 0.00 39.64 34.35 2k75 n ILE 97 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2k75 n PRO 98 N -0.73 1.61 -1.97 0.38 -0.02 -1.26 -4.92 135.00 128.09 2k75 n PRO 98 Ca -0.03 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 2k75 n PRO 98 Cb 0.59 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2k75 n PRO 98 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k75 s LEU 99 N -3.51 4.38 0.23 2.45 2.96 -1.26 -4.94 118.68 118.98 2k75 s LEU 99 Ca 0.73 2.64 -0.30 0.00 -0.22 0.00 0.00 54.13 56.98 2k75 s LEU 99 Cb -0.41 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.57 2k75 s LEU 99 CO 0.48 -0.77 1.39 -1.61 -1.32 0.00 0.00 176.35 174.52 2k75 s GLU 100 N 0.36 4.32 -0.17 1.98 2.02 -1.26 -5.01 118.70 120.93 2k75 s GLU 100 Ca 0.64 2.20 -0.11 0.00 0.02 0.00 0.00 54.97 57.72 2k75 s GLU 100 Cb -0.43 -3.14 0.05 0.00 0.10 0.00 0.00 34.13 30.71 2k75 s GLU 100 CO 0.38 -0.35 0.42 -1.58 0.02 0.00 0.00 175.26 174.14 2k75 s HIS 101 N 0.05 -0.57 -0.36 1.61 2.46 -1.26 -5.11 115.29 112.11 2k75 s HIS 101 Ca 0.58 1.26 0.02 0.00 0.47 0.00 0.00 55.06 57.39 2k75 s HIS 101 Cb -0.40 0.24 0.15 0.00 -0.13 0.00 0.00 32.58 32.44 2k75 s HIS 101 CO 0.41 -0.31 0.33 -1.01 -2.47 0.00 0.00 174.74 171.69 2k75 s HIS 102 N 1.03 -0.08 0.20 3.88 3.76 -1.26 -5.13 115.29 117.70 2k75 s HIS 102 Ca -0.07 -0.95 -0.17 0.00 -0.15 0.00 0.00 55.06 53.72 2k75 s HIS 102 Cb -0.07 -0.53 0.03 0.00 1.11 0.00 0.00 32.58 33.12 2k75 s HIS 102 CO -0.09 -0.93 0.53 -1.58 -0.85 0.00 0.00 174.74 171.82 2k75 s HIS 103 N 1.43 -0.09 -0.36 1.40 5.04 -1.26 -5.03 115.29 116.43 2k75 s HIS 103 Ca 0.16 -0.26 -0.23 0.00 -1.54 0.00 0.00 55.06 53.20 2k75 s HIS 103 Cb -0.17 0.40 0.03 0.00 0.04 0.00 0.00 32.58 32.88 2k75 s HIS 103 CO -0.05 -0.94 0.47 1.58 -2.34 0.00 0.00 174.74 173.46 2k75 n HIS 104 N -0.35 -2.63 -1.40 3.88 -0.00 -1.26 -4.68 115.22 108.78 2k75 n HIS 104 Ca -0.09 1.10 0.09 0.00 -0.00 0.00 0.00 57.72 58.82 2k75 n HIS 104 Cb 0.62 -2.53 -0.05 0.00 -0.00 0.00 0.00 29.99 28.03 2k75 n HIS 104 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k75 n HIS 105 N 0.11 -3.48 -0.80 1.57 -0.00 -1.26 -5.30 115.22 106.06 2k75 n HIS 105 Ca -0.01 1.91 0.00 0.00 -0.00 0.00 0.00 57.72 59.62 2k75 n HIS 105 Cb 0.52 -3.07 0.00 0.00 -0.00 0.00 0.00 29.99 27.45 2k75 n HIS 105 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95