#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 6.07 0.04 -3.46 1.11 -1.26 -4.12 116.67 115.04 2k75 s ASP 2 Ca 0.00 2.27 -0.30 0.00 0.18 0.00 0.00 52.55 54.69 2k75 s ASP 2 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 2k75 s ASP 2 CO 0.00 -0.99 1.13 -0.22 1.18 0.00 0.00 175.17 176.28 2k75 s LEU 3 N -3.22 4.36 0.11 1.23 0.20 -1.26 -1.84 118.68 118.26 2k75 s LEU 3 Ca 0.66 1.90 -0.01 0.00 0.69 0.00 0.00 54.13 57.36 2k75 s LEU 3 Cb -0.27 -3.58 -0.04 0.00 -0.43 0.00 0.00 46.19 41.87 2k75 s LEU 3 CO 0.32 -0.41 0.03 0.68 -0.29 0.00 0.00 176.35 176.68 2k75 s VAL 4 N 1.10 0.14 0.50 1.68 -7.23 -1.03 -4.93 120.40 110.63 2k75 s VAL 4 Ca 0.57 -1.87 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 2k75 s VAL 4 Cb -0.27 -1.87 -0.08 0.00 0.56 0.00 0.00 36.38 34.73 2k75 s VAL 4 CO 0.28 -0.63 1.08 -0.54 -0.31 0.00 0.00 175.10 174.98 2k75 s LYS 5 N -4.01 3.66 0.17 4.82 1.02 -1.26 -4.74 119.74 119.40 2k75 s LYS 5 Ca 0.18 1.48 -0.12 0.00 0.02 0.00 0.00 55.97 57.53 2k75 s LYS 5 Cb 0.08 -2.10 0.06 0.00 -0.52 0.00 0.00 37.83 35.34 2k75 s LYS 5 CO -0.02 -0.57 1.70 0.82 -0.92 0.00 0.00 175.35 176.37 2k75 h ILE 6 N 1.49 1.23 0.00 2.17 2.04 -1.96 -1.81 117.51 120.67 2k75 h ILE 6 Ca -0.50 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2k75 h ILE 6 Cb 1.24 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2k75 h ILE 6 CO 0.58 0.29 0.00 -0.09 0.00 0.00 0.00 178.15 178.94 2k75 h ARG 7 N 0.80 0.00 -0.31 2.37 9.65 -1.94 -1.95 114.38 122.99 2k75 h ARG 7 Ca 0.19 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 2k75 h ARG 7 Cb 0.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2k75 h ARG 7 CO -0.01 0.00 0.00 -3.47 2.80 0.00 0.00 179.97 179.29 2k75 n ASP 8 N -2.65 2.30 -4.73 -3.80 2.03 -0.69 -4.92 116.55 104.08 2k75 n ASP 8 Ca 0.01 -1.87 -0.42 0.00 0.52 0.00 0.00 54.79 53.04 2k75 n ASP 8 Cb 0.26 -0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.43 2k75 n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2k75 s VAL 9 N -1.59 2.86 0.21 5.18 1.01 -0.74 -4.89 120.40 122.44 2k75 s VAL 9 Ca 0.33 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 2k75 s VAL 9 Cb 0.18 -3.43 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2k75 s VAL 9 CO 0.25 0.09 0.48 -0.94 0.00 0.00 0.00 175.10 174.98 2k75 s SER 10 N 0.62 -0.15 0.00 3.32 1.04 -1.26 -5.01 113.70 112.25 2k75 s SER 10 Ca 0.62 -0.70 0.19 0.00 0.48 0.00 0.00 55.95 56.53 2k75 s SER 10 Cb -0.40 0.57 0.84 0.00 0.10 0.00 0.00 66.02 67.12 2k75 s SER 10 CO 0.38 -1.07 1.61 0.18 0.98 0.00 0.00 173.24 175.32 2k75 n LEU 11 N -0.34 0.00 0.12 2.42 4.77 -1.26 -2.35 117.00 120.36 2k75 n LEU 11 Ca -0.06 0.46 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 2k75 n LEU 11 Cb 0.62 -0.46 0.46 0.00 -2.33 0.00 0.00 43.42 41.70 2k75 n LEU 11 CO 0.20 -0.16 0.87 -1.20 -1.33 0.00 0.00 177.39 175.77 2k75 n SER 12 N -1.46 0.74 -3.88 -1.43 7.64 -1.26 -4.10 113.62 109.86 2k75 n SER 12 Ca 0.05 0.63 -0.29 0.00 1.01 0.00 0.00 58.87 60.27 2k75 n SER 12 Cb 0.21 -0.80 -0.13 0.00 -1.01 0.00 0.00 64.21 62.48 2k75 n SER 12 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k75 s THR 13 N -3.22 2.59 0.27 0.44 -4.23 -0.99 -4.96 115.64 105.54 2k75 s THR 13 Ca 0.07 -3.79 0.00 0.00 -1.18 0.00 0.00 61.69 56.80 2k75 s THR 13 Cb 0.11 -2.74 0.26 0.00 1.34 0.00 0.00 72.50 71.47 2k75 s THR 13 CO 0.48 -0.94 1.80 -0.65 -0.54 0.00 0.00 174.62 174.77 2k75 h PRO 14 N 5.86 0.78 -5.55 3.99 0.11 -1.81 -3.40 132.00 131.99 2k75 h PRO 14 Ca 0.07 -0.05 -0.67 0.00 0.11 0.00 0.00 66.00 65.46 2k75 h PRO 14 Cb 0.82 -0.18 -0.29 0.00 0.11 0.00 0.00 31.00 31.46 2k75 h PRO 14 CO 0.68 0.52 -0.82 0.71 -0.21 0.00 0.00 178.00 178.88 2k75 s TYR 15 N -5.96 2.66 0.31 0.65 2.02 -1.26 -2.33 117.35 113.45 2k75 s TYR 15 Ca -0.12 -0.73 -0.06 0.00 -0.37 0.00 0.00 57.07 55.79 2k75 s TYR 15 Cb 0.22 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 2k75 s TYR 15 CO 0.79 -0.23 0.49 0.14 -1.57 0.00 0.00 175.55 175.17 2k75 s VAL 16 N 0.15 0.00 -0.02 0.71 -7.23 -0.96 -4.22 120.40 108.83 2k75 s VAL 16 Ca -0.10 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 2k75 s VAL 16 Cb -0.16 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2k75 s VAL 16 CO 0.06 0.00 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.35 2k75 s SER 17 N -3.16 0.82 0.10 4.85 0.01 -0.77 -0.49 113.70 115.07 2k75 s SER 17 Ca 0.27 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.40 2k75 s SER 17 Cb -0.01 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2k75 s SER 17 CO 0.16 0.05 0.03 0.68 0.41 0.00 0.00 173.24 174.56 2k75 s VAL 18 N 0.13 0.15 -0.01 3.43 -7.23 0.20 -2.46 120.40 114.60 2k75 s VAL 18 Ca -0.01 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 2k75 s VAL 18 Cb -0.06 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.06 2k75 s VAL 18 CO -0.00 -0.67 -0.01 -0.51 -0.31 0.00 0.00 175.10 173.60 2k75 s ILE 19 N -4.00 0.19 -1.18 -0.62 2.07 -1.26 -0.91 121.20 115.49 2k75 s ILE 19 Ca 0.17 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 2k75 s ILE 19 Cb 0.08 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.45 2k75 s ILE 19 CO -0.03 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 2k75 n GLY 20 N 3.51 -1.16 3.52 1.50 0.00 -1.12 -4.79 105.19 106.65 2k75 n GLY 20 Ca -0.19 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 2k75 n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k75 s LYS 21 N -0.47 3.03 -0.13 1.61 -2.85 -1.04 -2.08 119.74 117.81 2k75 s LYS 21 Ca 0.00 -0.57 -0.13 0.00 -1.00 0.00 0.00 55.97 54.27 2k75 s LYS 21 Cb 0.00 -2.65 -0.05 0.00 -2.06 0.00 0.00 37.83 33.07 2k75 s LYS 21 CO 0.00 0.50 0.29 0.42 0.10 0.00 0.00 175.35 176.66 2k75 s ILE 22 N -0.37 5.29 0.09 3.79 1.09 -0.84 -1.76 121.20 128.48 2k75 s ILE 22 Ca 0.05 0.54 0.02 0.00 -1.10 0.00 0.00 60.65 60.16 2k75 s ILE 22 Cb -0.12 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.63 2k75 s ILE 22 CO 0.02 0.46 -0.06 0.28 -0.10 0.00 0.00 174.94 175.54 2k75 s THR 23 N -0.03 0.66 0.00 2.92 -1.32 0.26 0.25 115.64 118.38 2k75 s THR 23 Ca 0.17 -1.91 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 2k75 s THR 23 Cb -0.13 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.21 2k75 s THR 23 CO 0.05 -0.87 0.00 0.61 -2.21 0.00 0.00 174.62 172.20 2k75 n GLY 24 N -0.00 1.90 1.96 6.08 0.00 -1.26 -1.59 105.19 112.27 2k75 n GLY 24 Ca -0.12 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -6.99 -3.75 -0.61 2.08 -1.24 -4.98 119.36 103.88 2k75 n ILE 25 Ca 0.00 2.78 -0.13 0.00 0.56 0.00 0.00 62.75 65.96 2k75 n ILE 25 Cb 0.00 -3.75 -0.11 0.00 -0.75 0.00 0.00 39.64 35.03 2k75 n ILE 25 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 2k75 s HIS 26 N -1.76 -0.40 -0.18 1.39 2.46 0.14 -4.93 115.29 112.01 2k75 s HIS 26 Ca 0.00 0.96 -0.06 0.00 0.47 0.00 0.00 55.06 56.43 2k75 s HIS 26 Cb 0.00 0.14 -0.03 0.00 -0.13 0.00 0.00 32.58 32.55 2k75 s HIS 26 CO 0.00 -0.20 0.02 0.21 -2.47 0.00 0.00 174.74 172.30 2k75 s LYS 27 N 0.35 3.83 0.05 2.88 2.20 -1.26 -1.17 119.74 126.61 2k75 s LYS 27 Ca -0.01 -0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2k75 s LYS 27 Cb -0.03 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2k75 s LYS 27 CO -0.01 0.22 0.01 0.15 -0.36 0.00 0.00 175.35 175.36 2k75 s LYS 28 N 0.46 0.57 -0.01 4.03 1.02 -0.69 -4.98 119.74 120.14 2k75 s LYS 28 Ca 0.00 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 55.02 2k75 s LYS 28 Cb -0.13 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 2k75 s LYS 28 CO 0.02 -0.12 -0.14 -1.21 -0.92 0.00 0.00 175.35 172.98 2k75 s GLU 29 N -3.27 2.37 0.10 1.68 8.01 -1.26 0.18 118.70 126.51 2k75 s GLU 29 Ca 0.01 -0.80 -0.05 0.00 0.01 0.00 0.00 54.97 54.14 2k75 s GLU 29 Cb 0.03 -2.35 -0.02 0.00 -4.31 0.00 0.00 34.13 27.48 2k75 s GLU 29 CO -0.08 0.59 0.12 1.52 0.01 0.00 0.00 175.26 177.42 2k75 s TYR 30 N -0.86 0.44 -0.48 1.61 1.13 -0.96 -4.96 117.35 113.27 2k75 s TYR 30 Ca 0.14 -0.88 -0.19 0.00 -1.41 0.00 0.00 57.07 54.72 2k75 s TYR 30 Cb -0.11 -0.24 0.05 0.00 -1.10 0.00 0.00 41.96 40.56 2k75 s TYR 30 CO 0.04 -0.52 0.60 -2.00 -2.51 0.00 0.00 175.55 171.16 2k75 s GLU 31 N -3.93 3.15 0.00 -3.49 2.12 -1.26 -2.06 118.70 113.22 2k75 s GLU 31 Ca 0.11 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2k75 s GLU 31 Cb 0.06 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.40 2k75 s GLU 31 CO -0.06 -1.13 0.00 -1.13 -0.54 0.00 0.00 175.26 172.40 2k75 n SER 32 N 6.10 0.00 -4.35 -1.70 3.41 0.16 -4.80 113.62 112.43 2k75 n SER 32 Ca -0.06 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 2k75 n SER 32 Cb 0.46 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 2k75 n SER 32 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k75 n ASP 33 N -0.46 0.02 -0.16 4.04 -0.08 -1.26 -2.31 116.55 116.34 2k75 n ASP 33 Ca 0.00 -2.06 -0.02 0.00 -1.51 0.00 0.00 54.79 51.20 2k75 n ASP 33 Cb 0.00 -1.29 -0.01 0.00 2.34 0.00 0.00 41.12 42.16 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 5.50 0.20 2.96 0.27 0.00 -1.26 -4.91 105.19 107.95 2k75 n GLY 34 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.17 0.81 -0.03 2.61 2.01 -0.98 -5.12 115.64 113.77 2k75 s THR 35 Ca 0.00 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.40 2k75 s THR 35 Cb 0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 2k75 s THR 35 CO 0.00 0.28 1.01 -0.89 -0.69 0.00 0.00 174.62 174.33 2k75 s THR 36 N 0.65 4.77 0.03 -0.82 2.01 -1.26 0.39 115.64 121.41 2k75 s THR 36 Ca -0.11 2.00 0.02 0.00 0.31 0.00 0.00 61.69 63.91 2k75 s THR 36 Cb -0.14 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.07 2k75 s THR 36 CO 0.02 0.10 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.44 2k75 s LYS 37 N 1.39 0.50 0.39 4.92 1.02 -0.87 -4.90 119.74 122.18 2k75 s LYS 37 Ca 0.51 -0.63 -0.19 0.00 0.02 0.00 0.00 55.97 55.69 2k75 s LYS 37 Cb -0.21 -0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 36.70 2k75 s LYS 37 CO 0.25 0.06 0.87 -1.54 -0.92 0.00 0.00 175.35 174.07 2k75 s SER 38 N -1.26 6.89 -0.04 2.83 1.04 -1.26 -2.26 113.70 119.64 2k75 s SER 38 Ca -0.08 1.55 0.03 0.00 0.48 0.00 0.00 55.95 57.93 2k75 s SER 38 Cb -0.08 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.56 2k75 s SER 38 CO 0.00 -0.30 -0.11 0.54 0.98 0.00 0.00 173.24 174.35 2k75 s VAL 39 N -2.10 0.94 -0.15 5.02 0.11 0.13 -2.38 120.40 121.97 2k75 s VAL 39 Ca 0.59 -0.42 -0.11 0.00 -2.93 0.00 0.00 61.98 59.11 2k75 s VAL 39 Cb -0.10 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 2k75 s VAL 39 CO 0.15 0.29 0.21 -0.31 -3.33 0.00 0.00 175.10 172.11 2k75 s TYR 40 N 0.33 3.50 0.08 1.54 1.51 0.66 -1.70 117.35 123.27 2k75 s TYR 40 Ca -0.06 0.52 0.05 0.00 -1.01 0.00 0.00 57.07 56.57 2k75 s TYR 40 Cb -0.11 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2k75 s TYR 40 CO 0.01 0.41 -0.14 -0.65 -1.11 0.00 0.00 175.55 174.08 2k75 s GLN 41 N -0.07 0.84 0.00 -0.62 -0.21 -0.32 -0.16 119.66 119.13 2k75 s GLN 41 Ca 0.14 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.52 2k75 s GLN 41 Cb -0.12 -0.82 0.00 0.00 1.00 0.00 0.00 33.01 33.06 2k75 s GLN 41 CO 0.03 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.78 2k75 n GLY 42 N 1.15 1.01 3.26 3.09 0.00 -0.93 0.25 105.19 113.02 2k75 n GLY 42 Ca -0.20 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.43 2.08 -0.08 1.61 1.51 -0.62 -0.47 117.35 116.94 2k75 s TYR 43 Ca 0.00 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 2k75 s TYR 43 Cb 0.00 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.49 2k75 s TYR 43 CO 0.00 -0.05 -0.12 -1.50 -1.11 0.00 0.00 175.55 172.77 2k75 s ILE 44 N -0.51 3.24 0.12 2.71 2.07 -0.64 -0.58 121.20 127.61 2k75 s ILE 44 Ca 0.08 -0.63 0.10 0.00 -1.41 0.00 0.00 60.65 58.79 2k75 s ILE 44 Cb -0.09 -2.32 -0.04 0.00 0.13 0.00 0.00 42.46 40.14 2k75 s ILE 44 CO -0.01 0.57 -0.25 -1.61 -1.91 0.00 0.00 174.94 171.73 2k75 s GLU 45 N -0.36 1.33 0.00 3.50 2.02 -0.72 -2.02 118.70 122.45 2k75 s GLU 45 Ca 0.04 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.75 2k75 s GLU 45 Cb -0.12 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.35 2k75 s GLU 45 CO 0.02 0.41 0.00 -3.47 0.02 0.00 0.00 175.26 172.25 2k75 n ASP 46 N 0.99 0.00 -0.18 -0.19 2.03 -0.62 -2.48 116.55 116.09 2k75 n ASP 46 Ca -0.18 -0.46 -0.06 0.00 0.52 0.00 0.00 54.79 54.61 2k75 n ASP 46 Cb 0.53 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.03 2k75 n ASP 46 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k75 h ASP 47 N 0.00 0.93 0.00 1.67 3.58 -2.01 -3.37 116.42 117.23 2k75 h ASP 47 Ca 0.00 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2k75 h ASP 47 Cb 0.00 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.80 2k75 h ASP 47 CO 0.00 0.95 0.00 0.35 -2.88 0.00 0.00 179.24 177.66 2k75 n THR 48 N -4.22 0.00 -0.41 2.25 -2.24 -1.26 -5.07 114.28 103.33 2k75 n THR 48 Ca 0.04 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2k75 n THR 48 Cb 0.29 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.89 0.00 -2.78 6.98 0.00 -1.26 -5.05 120.51 116.51 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 4.32 0.87 0.10 0.00 1.70 -1.26 -1.60 118.95 123.09 2k75 s ARG 50 Ca 0.00 -0.77 -0.15 0.00 -0.47 0.00 0.00 55.73 54.33 2k75 s ARG 50 Cb 0.00 0.36 0.03 0.00 -0.57 0.00 0.00 34.95 34.77 2k75 s ARG 50 CO 0.00 -0.29 0.37 -1.50 -1.08 0.00 0.00 175.30 172.81 2k75 s ILE 51 N -3.42 0.08 0.35 4.99 2.07 -0.86 -4.96 121.20 119.45 2k75 s ILE 51 Ca 0.01 -0.63 -0.26 0.00 -1.41 0.00 0.00 60.65 58.36 2k75 s ILE 51 Cb 0.02 -1.14 -0.09 0.00 0.13 0.00 0.00 42.46 41.38 2k75 s ILE 51 CO -0.09 -0.35 1.08 -0.60 -1.91 0.00 0.00 174.94 173.07 2k75 s ARG 52 N -3.54 4.34 0.15 3.50 3.52 -1.26 -1.62 118.95 124.03 2k75 s ARG 52 Ca 0.01 1.65 0.03 0.00 -0.13 0.00 0.00 55.73 57.30 2k75 s ARG 52 Cb 0.02 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 2k75 s ARG 52 CO -0.10 -0.02 -0.06 0.96 -0.81 0.00 0.00 175.30 175.27 2k75 s ILE 53 N -1.44 0.93 -0.07 4.11 -4.36 0.37 -2.34 121.20 118.41 2k75 s ILE 53 Ca 0.52 -2.01 -0.06 0.00 -0.26 0.00 0.00 60.65 58.85 2k75 s ILE 53 Cb -0.27 -1.90 0.02 0.00 1.25 0.00 0.00 42.46 41.56 2k75 s ILE 53 CO 0.34 -0.69 0.17 -0.44 0.24 0.00 0.00 174.94 174.56 2k75 s SER 54 N -3.15 -0.18 -0.02 4.36 0.01 0.59 -2.18 113.70 113.13 2k75 s SER 54 Ca 0.18 0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.81 2k75 s SER 54 Cb 0.04 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.62 2k75 s SER 54 CO 0.00 -0.07 -0.06 -0.94 0.41 0.00 0.00 173.24 172.59 2k75 s SER 55 N 0.21 0.86 -0.21 2.44 1.04 0.78 0.44 113.70 119.26 2k75 s SER 55 Ca -0.01 -0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 2k75 s SER 55 Cb -0.02 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 2k75 s SER 55 CO -0.01 0.03 0.40 -0.36 0.98 0.00 0.00 173.24 174.28 2k75 s PHE 56 N 0.30 3.36 0.00 5.02 0.08 -1.06 -0.25 117.98 125.44 2k75 s PHE 56 Ca -0.04 0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.62 2k75 s PHE 56 Cb -0.08 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 2k75 s PHE 56 CO -0.00 -0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.50 2k75 n GLY 57 N 3.98 0.64 3.73 4.36 0.00 -1.00 -4.80 105.19 112.10 2k75 n GLY 57 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 4.35 0.07 1.61 -0.14 -1.26 -4.98 119.74 119.39 2k75 s LYS 58 Ca 0.00 2.12 -0.03 0.00 -1.36 0.00 0.00 55.97 56.70 2k75 s LYS 58 Cb 0.00 -3.18 -0.05 0.00 -1.68 0.00 0.00 37.83 32.92 2k75 s LYS 58 CO 0.00 -0.33 0.29 -1.14 -0.76 0.00 0.00 175.35 173.40 2k75 s GLN 59 N 0.07 3.54 0.10 1.68 0.74 -1.26 -4.48 119.66 120.05 2k75 s GLN 59 Ca 0.59 -0.21 0.06 0.00 0.05 0.00 0.00 55.36 55.84 2k75 s GLN 59 Cb -0.38 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.72 2k75 s GLN 59 CO 0.38 0.57 -0.14 -0.51 -0.55 0.00 0.00 175.29 175.04 2k75 s LEU 60 N -2.35 2.35 0.25 3.68 1.43 -1.26 -5.15 118.68 117.62 2k75 s LEU 60 Ca 0.35 -0.73 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2k75 s LEU 60 Cb -0.13 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 2k75 s LEU 60 CO 0.23 -0.12 -0.10 -1.10 0.23 0.00 0.00 176.35 175.50 2k75 s GLN 61 N -2.30 2.01 0.33 1.70 -0.21 -1.26 -4.95 119.66 114.98 2k75 s GLN 61 Ca 0.05 -1.49 -0.29 0.00 0.02 0.00 0.00 55.36 53.64 2k75 s GLN 61 Cb -0.07 -2.03 -0.11 0.00 1.00 0.00 0.00 33.01 31.81 2k75 s GLN 61 CO 0.03 0.37 1.48 0.34 -2.12 0.00 0.00 175.29 175.39 2k75 s ASP 62 N -3.37 6.45 -1.16 5.90 -1.08 -1.26 -2.26 116.67 119.89 2k75 s ASP 62 Ca 0.29 2.93 -0.01 0.00 -0.52 0.00 0.00 52.55 55.23 2k75 s ASP 62 Cb -0.07 -2.65 0.01 0.00 -1.46 0.00 0.00 42.92 38.75 2k75 s ASP 62 CO 0.17 -0.81 0.10 -0.24 0.52 0.00 0.00 175.17 174.90 2k75 n SER 63 N 1.16 -4.12 -4.61 -0.34 2.88 0.69 -4.88 113.62 104.40 2k75 n SER 63 Ca 0.03 0.08 -0.43 0.00 -1.33 0.00 0.00 58.87 57.22 2k75 n SER 63 Cb 0.39 -3.47 -0.02 0.00 -0.75 0.00 0.00 64.21 60.36 2k75 n SER 63 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k75 s ASP 64 N -2.16 6.63 -0.58 -3.46 2.15 -0.93 -4.66 116.67 113.66 2k75 s ASP 64 Ca 0.07 0.77 -0.27 0.00 0.43 0.00 0.00 52.55 53.55 2k75 s ASP 64 Cb -0.04 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2k75 s ASP 64 CO 0.08 -1.20 1.15 -0.69 -0.17 0.00 0.00 175.17 174.35 2k75 s VAL 65 N 4.50 4.07 0.12 1.11 1.01 -1.26 -1.99 120.40 127.97 2k75 s VAL 65 Ca 0.52 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 2k75 s VAL 65 Cb -0.11 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 2k75 s VAL 65 CO 0.27 -1.33 0.07 0.68 0.00 0.00 0.00 175.10 174.80 2k75 s VAL 66 N 4.81 0.11 -0.14 2.92 -7.23 -0.88 -1.61 120.40 118.38 2k75 s VAL 66 Ca 0.40 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2k75 s VAL 66 Cb -0.08 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 2k75 s VAL 66 CO 0.24 -0.51 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.78 2k75 s ARG 67 N -4.02 3.30 -0.15 4.82 3.52 0.11 -2.79 118.95 123.73 2k75 s ARG 67 Ca 0.21 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 55.05 2k75 s ARG 67 Cb 0.07 -2.63 -0.03 0.00 -1.56 0.00 0.00 34.95 30.81 2k75 s ARG 67 CO 0.00 0.12 -0.03 0.42 -0.81 0.00 0.00 175.30 175.00 2k75 s ILE 68 N 0.57 4.01 0.01 4.11 1.01 -0.09 -1.32 121.20 129.51 2k75 s ILE 68 Ca -0.09 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.31 2k75 s ILE 68 Cb -0.16 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 2k75 s ILE 68 CO 0.03 0.50 -0.19 -0.62 0.00 0.00 0.00 174.94 174.66 2k75 s ASP 69 N 0.28 2.30 -0.64 3.58 -1.08 -0.79 -0.63 116.67 119.69 2k75 s ASP 69 Ca -0.02 -0.43 -0.02 0.00 -0.52 0.00 0.00 52.55 51.56 2k75 s ASP 69 Cb -0.14 -0.22 0.00 0.00 -1.46 0.00 0.00 42.92 41.10 2k75 s ASP 69 CO 0.03 0.19 0.24 -3.20 0.52 0.00 0.00 175.17 172.95 2k75 n ASN 70 N 2.24 -3.40 -4.76 -0.34 5.15 -0.30 -2.46 115.26 111.38 2k75 n ASN 70 Ca -0.16 -0.11 -0.39 0.00 -0.60 0.00 0.00 54.58 53.31 2k75 n ASN 70 Cb 0.53 -2.32 -0.04 0.00 -0.53 0.00 0.00 39.78 37.42 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 -2.78 3.32 -0.17 5.20 0.00 0.35 -4.70 121.76 122.97 2k75 s ALA 71 Ca 0.12 0.82 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 2k75 s ALA 71 Cb -0.05 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2k75 s ALA 71 CO 0.15 -0.13 0.35 0.50 0.00 0.00 0.00 175.76 176.62 2k75 s ARG 72 N -1.69 4.24 0.05 0.00 3.52 -0.78 -2.26 118.95 122.03 2k75 s ARG 72 Ca 0.47 0.16 -0.29 0.00 -0.13 0.00 0.00 55.73 55.94 2k75 s ARG 72 Cb -0.29 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.59 2k75 s ARG 72 CO 0.37 0.13 0.94 0.08 -0.81 0.00 0.00 175.30 176.01 2k75 s VAL 73 N 0.78 4.70 0.06 7.11 1.01 -0.98 0.06 120.40 133.14 2k75 s VAL 73 Ca 0.18 2.01 0.09 0.00 0.00 0.00 0.00 61.98 64.25 2k75 s VAL 73 Cb -0.14 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 2k75 s VAL 73 CO 0.06 0.25 -0.22 0.00 0.00 0.00 0.00 175.10 175.19 2k75 s ALA 74 N 0.47 2.47 -0.51 5.51 0.00 -0.22 -4.90 121.76 124.57 2k75 s ALA 74 Ca 0.48 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 2k75 s ALA 74 Cb -0.22 -0.59 0.13 0.00 0.00 0.00 0.00 23.12 22.44 2k75 s ALA 74 CO 0.28 0.56 0.37 -1.14 0.00 0.00 0.00 175.76 175.83 2k75 s GLN 75 N -1.55 2.48 0.74 0.00 0.74 -1.26 -2.48 119.66 118.33 2k75 s GLN 75 Ca 0.14 -1.96 -0.10 0.00 0.05 0.00 0.00 55.36 53.49 2k75 s GLN 75 Cb -0.10 -3.87 0.17 0.00 1.10 0.00 0.00 33.01 30.31 2k75 s GLN 75 CO 0.05 -1.18 1.01 1.19 -0.55 0.00 0.00 175.29 175.82 2k75 n PHE 76 N 4.54 -3.78 -1.04 1.67 3.01 0.18 -4.80 117.46 117.24 2k75 n PHE 76 Ca -0.02 -1.06 -0.17 0.00 1.01 0.00 0.00 57.45 57.21 2k75 n PHE 76 Cb 0.41 -0.77 -0.07 0.00 -0.01 0.00 0.00 39.48 39.03 2k75 n PHE 76 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2k75 n ASN 77 N -3.52 0.08 -0.24 4.37 5.03 -1.26 -1.86 115.26 117.87 2k75 n ASN 77 Ca 0.13 -1.88 -0.03 0.00 0.87 0.00 0.00 54.58 53.67 2k75 n ASN 77 Cb 0.47 -0.81 -0.01 0.00 -1.02 0.00 0.00 39.78 38.40 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 4.96 0.61 3.12 7.41 0.00 -1.26 -5.01 105.19 115.03 2k75 n GLY 78 Ca 0.26 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 1.15 -0.10 1.61 2.02 -0.78 -5.14 117.35 114.12 2k75 s TYR 79 Ca 0.00 -0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.33 2k75 s TYR 79 Cb 0.00 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.83 2k75 s TYR 79 CO 0.00 0.02 0.08 -0.51 -1.57 0.00 0.00 175.55 173.57 2k75 s LEU 80 N -0.96 4.03 0.17 -1.29 1.43 -1.26 0.52 118.68 121.31 2k75 s LEU 80 Ca 0.02 0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 53.29 2k75 s LEU 80 Cb -0.07 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.18 2k75 s LEU 80 CO 0.01 0.39 0.41 -0.94 0.23 0.00 0.00 176.35 176.45 2k75 s SER 81 N -1.02 -0.15 -0.16 2.29 1.04 -1.04 -4.40 113.70 110.27 2k75 s SER 81 Ca 0.15 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 2k75 s SER 81 Cb -0.12 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 2k75 s SER 81 CO 0.04 -0.95 0.02 -0.76 0.98 0.00 0.00 173.24 172.57 2k75 s LEU 82 N -2.88 3.58 -0.21 2.42 1.43 -0.99 -1.06 118.68 120.97 2k75 s LEU 82 Ca 0.10 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 2k75 s LEU 82 Cb 0.01 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2k75 s LEU 82 CO -0.05 0.20 0.02 -0.94 0.23 0.00 0.00 176.35 175.81 2k75 s SER 83 N 0.22 4.95 -0.38 2.29 1.04 0.11 -0.30 113.70 121.64 2k75 s SER 83 Ca 0.01 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.12 2k75 s SER 83 Cb -0.13 -1.86 0.01 0.00 0.10 0.00 0.00 66.02 64.14 2k75 s SER 83 CO 0.01 0.05 0.27 -0.69 0.98 0.00 0.00 173.24 173.86 2k75 s VAL 84 N 1.09 5.21 0.61 5.02 1.01 0.17 -1.87 120.40 131.64 2k75 s VAL 84 Ca 0.03 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.57 2k75 s VAL 84 Cb -0.14 -3.81 0.11 0.00 0.00 0.00 0.00 36.38 32.54 2k75 s VAL 84 CO 0.02 -0.18 0.84 0.61 0.00 0.00 0.00 175.10 176.39 2k75 n GLY 85 N 5.12 1.47 0.21 4.51 0.00 -1.26 -2.56 105.19 112.68 2k75 n GLY 85 Ca -0.12 -2.15 0.05 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.15 0.00 0.46 1.61 3.58 -1.98 -1.51 116.42 118.43 2k75 h ASP 86 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 2k75 h ASP 86 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2k75 h ASP 86 CO 0.36 0.28 0.00 -1.54 -2.88 0.00 0.00 179.24 175.46 2k75 n SER 87 N -4.08 0.00 -4.90 2.28 3.41 -1.26 -4.82 113.62 104.25 2k75 n SER 87 Ca -0.02 -0.23 -0.29 0.00 -0.26 0.00 0.00 58.87 58.07 2k75 n SER 87 Cb 0.34 -0.25 0.07 0.00 -0.26 0.00 0.00 64.21 64.11 2k75 n SER 87 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2k75 s SER 88 N -2.49 4.92 -0.03 4.04 0.15 -0.57 -5.02 113.70 114.70 2k75 s SER 88 Ca 0.29 0.91 0.05 0.00 0.70 0.00 0.00 55.95 57.90 2k75 s SER 88 Cb 0.19 -1.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.95 2k75 s SER 88 CO 0.42 -1.64 -0.19 -0.13 1.20 0.00 0.00 173.24 172.89 2k75 s ARG 89 N -5.46 1.74 -0.07 5.44 1.81 -1.03 -4.95 118.95 116.43 2k75 s ARG 89 Ca 0.60 -0.68 0.03 0.00 -1.72 0.00 0.00 55.73 53.96 2k75 s ARG 89 Cb -0.11 -1.59 0.01 0.00 -0.45 0.00 0.00 34.95 32.81 2k75 s ARG 89 CO 0.50 0.35 -0.14 0.42 -0.68 0.00 0.00 175.30 175.74 2k75 s ILE 90 N -0.24 1.30 -0.11 1.52 1.01 -1.26 -1.89 121.20 121.52 2k75 s ILE 90 Ca 0.02 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2k75 s ILE 90 Cb -0.10 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.22 2k75 s ILE 90 CO 0.01 0.39 -0.16 -0.70 0.00 0.00 0.00 174.94 174.48 2k75 s GLU 91 N 0.56 2.32 0.54 2.79 2.56 -0.43 -4.97 118.70 122.06 2k75 s GLU 91 Ca -0.14 -0.60 -0.18 0.00 0.00 0.00 0.00 54.97 54.05 2k75 s GLU 91 Cb -0.16 -1.94 -0.06 0.00 2.00 0.00 0.00 34.13 33.97 2k75 s GLU 91 CO 0.04 -0.04 1.03 -1.54 -0.56 0.00 0.00 175.26 174.19 2k75 s SER 92 N 0.93 6.16 -0.30 -1.70 1.04 -1.26 0.05 113.70 118.62 2k75 s SER 92 Ca -0.07 1.80 -0.02 0.00 0.48 0.00 0.00 55.95 58.14 2k75 s SER 92 Cb -0.15 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.55 2k75 s SER 92 CO -0.01 -0.91 0.22 -0.69 0.98 0.00 0.00 173.24 172.83 2k75 s VAL 93 N -2.32 -0.19 -0.52 5.02 1.01 -0.63 -4.84 120.40 117.93 2k75 s VAL 93 Ca 0.64 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 2k75 s VAL 93 Cb -0.15 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.30 2k75 s VAL 93 CO 0.29 -0.65 0.89 0.20 0.00 0.00 0.00 175.10 175.83 2k75 s ASN 94 N 2.04 6.36 0.00 3.32 0.01 -1.26 -4.62 114.94 120.79 2k75 s ASN 94 Ca 0.11 -0.32 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 2k75 s ASN 94 Cb -0.16 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2k75 s ASN 94 CO -0.29 -1.13 0.00 0.52 -1.51 0.00 0.00 177.10 174.68 2k75 n VAL 95 N 6.16 0.00 -4.27 1.60 0.31 -1.26 -4.80 118.33 116.06 2k75 n VAL 95 Ca 0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.01 2k75 n VAL 95 Cb 0.47 -0.50 -0.06 0.00 -0.91 0.00 0.00 33.84 32.84 2k75 n VAL 95 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2k75 n ASN 96 N -0.55 -0.81 -3.22 4.52 0.23 -1.26 -2.12 115.26 112.05 2k75 n ASN 96 Ca 0.00 -1.16 -0.14 0.00 -0.53 0.00 0.00 54.58 52.75 2k75 n ASN 96 Cb 0.00 -2.15 0.01 0.00 -2.08 0.00 0.00 39.78 35.56 2k75 n ASN 96 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 2k75 n ILE 97 N -4.39 -8.08 -2.53 1.53 5.41 -1.26 -4.93 119.36 105.11 2k75 n ILE 97 Ca -0.14 0.18 -0.38 0.00 1.00 0.00 0.00 62.75 63.41 2k75 n ILE 97 Cb 0.60 -5.70 -0.04 0.00 -0.71 0.00 0.00 39.64 33.79 2k75 n ILE 97 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2k75 s PRO 98 N -3.19 4.38 0.00 0.38 0.04 -0.90 -4.90 135.00 130.81 2k75 s PRO 98 Ca 0.13 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2k75 s PRO 98 Cb -0.03 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2k75 s PRO 98 CO 0.81 0.03 0.20 1.47 0.04 0.00 0.00 177.00 179.55 2k75 n LEU 99 N 0.48 0.00 -3.60 -3.56 -0.00 -1.26 -5.05 117.00 104.01 2k75 n LEU 99 Ca 0.02 -0.52 -0.03 0.00 -0.00 0.00 0.00 56.01 55.49 2k75 n LEU 99 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.84 2k75 n LEU 99 CO 0.48 0.67 0.46 -0.70 -0.00 0.00 0.00 177.39 178.30 2k75 s GLU 100 N 0.00 0.52 -1.42 1.47 2.12 -1.26 -4.93 118.70 115.20 2k75 s GLU 100 Ca 0.00 1.04 -0.10 0.00 0.36 0.00 0.00 54.97 56.27 2k75 s GLU 100 Cb 0.00 0.34 0.07 0.00 0.26 0.00 0.00 34.13 34.80 2k75 s GLU 100 CO 0.00 -0.13 0.65 1.58 -0.54 0.00 0.00 175.26 176.82 2k75 n HIS 101 N 4.52 -1.96 -0.18 5.30 -0.00 -1.26 -4.85 115.22 116.80 2k75 n HIS 101 Ca -0.16 0.61 -0.10 0.00 -0.00 0.00 0.00 57.72 58.07 2k75 n HIS 101 Cb 0.55 -3.51 0.01 0.00 -0.00 0.00 0.00 29.99 27.04 2k75 n HIS 101 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2k75 h HIS 102 N -1.36 0.96 -3.79 1.57 2.76 -1.97 -3.42 115.15 109.89 2k75 h HIS 102 Ca -0.49 -0.15 -0.49 0.00 -2.20 0.00 0.00 60.37 57.04 2k75 h HIS 102 Cb 1.33 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 2k75 h HIS 102 CO 0.62 0.88 0.36 -1.01 -1.30 0.00 0.00 177.93 177.47 2k75 s HIS 103 N -5.07 3.88 -0.00 5.26 3.76 -1.26 -4.93 115.29 116.92 2k75 s HIS 103 Ca -0.12 1.87 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 2k75 s HIS 103 Cb 0.12 -2.99 0.00 0.00 1.11 0.00 0.00 32.58 30.83 2k75 s HIS 103 CO 0.82 0.33 0.65 -2.39 -0.85 0.00 0.00 174.74 173.29 2k75 n HIS 104 N 1.22 0.00 -0.13 1.40 1.44 -1.26 -4.83 115.22 113.06 2k75 n HIS 104 Ca -0.01 -0.13 -0.11 0.00 -2.01 0.00 0.00 57.72 55.46 2k75 n HIS 104 Cb 0.48 -0.02 -0.02 0.00 0.12 0.00 0.00 29.99 30.55 2k75 n HIS 104 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2k75 h HIS 105 N 0.00 0.79 0.00 -1.40 2.07 -1.99 -3.56 115.15 111.05 2k75 h HIS 105 Ca 0.00 -0.16 0.00 0.00 -2.85 0.00 0.00 60.37 57.36 2k75 h HIS 105 Cb 0.91 -0.20 0.00 0.00 2.57 0.00 0.00 27.41 30.69 2k75 h HIS 105 CO 0.01 0.83 0.00 1.58 -3.07 0.00 0.00 177.93 177.28