#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5f s LYS 2 N 0.00 3.84 0.37 2.12 3.01 -1.26 0.52 119.74 128.34 2k5f s LYS 2 Ca 0.00 0.52 0.09 0.00 -1.01 0.00 0.00 55.97 55.57 2k5f s LYS 2 Cb 0.00 -2.41 0.72 0.00 -1.01 0.00 0.00 37.83 35.13 2k5f s LYS 2 CO 0.00 0.03 1.87 1.25 0.51 0.00 0.00 175.35 179.01 2k5f h LEU 3 N 1.59 0.20 -0.06 3.17 5.85 -0.89 -2.20 115.31 122.98 2k5f h LEU 3 Ca -0.47 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2k5f h LEU 3 Cb 1.18 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2k5f h LEU 3 CO 0.64 0.43 -0.00 -1.54 -0.34 0.00 0.00 178.44 177.63 2k5f n SER 4 N -4.21 0.09 0.05 1.25 3.41 -1.18 -2.96 113.62 110.09 2k5f n SER 4 Ca -0.01 -0.89 0.03 0.00 -0.26 0.00 0.00 58.87 57.73 2k5f n SER 4 Cb 0.32 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 2k5f n SER 4 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k5f h GLU 5 N 0.14 0.00 -7.08 4.33 4.39 -1.72 -3.47 114.58 111.17 2k5f h GLU 5 Ca 0.00 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.16 2k5f h GLU 5 Cb 0.08 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 28.86 2k5f h GLU 5 CO 0.00 0.24 0.53 -0.51 -1.16 0.00 0.00 179.01 178.11 2k5f s LEU 6 N -5.74 3.71 -0.34 1.33 1.43 -1.15 -4.96 118.68 112.95 2k5f s LEU 6 Ca -0.02 2.58 0.08 0.00 -1.03 0.00 0.00 54.13 55.74 2k5f s LEU 6 Cb 0.09 -4.49 0.45 0.00 0.03 0.00 0.00 46.19 42.27 2k5f s LEU 6 CO 0.80 -1.69 1.15 2.29 0.23 0.00 0.00 176.35 179.13 2k5f n LYS 7 N -1.46 3.35 -1.34 1.70 2.85 -1.26 -5.05 118.16 116.94 2k5f n LYS 7 Ca 0.13 -4.22 0.00 0.00 -1.05 0.00 0.00 58.31 53.17 2k5f n LYS 7 Cb 0.48 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.66 2k5f n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k5f n ALA 8 N -0.59 -2.41 0.00 0.58 0.00 -1.26 -4.76 120.51 112.06 2k5f n ALA 8 Ca 0.39 0.30 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2k5f n ALA 8 Cb 0.84 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2k5f n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5f n GLY 9 N 0.74 1.87 3.81 0.00 0.00 0.17 -4.98 105.19 106.78 2k5f n GLY 9 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2k5f n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5f s ASP 10 N -1.82 7.04 -0.14 1.61 1.01 -1.26 -4.82 116.67 118.29 2k5f s ASP 10 Ca 0.00 1.75 0.00 0.00 0.71 0.00 0.00 52.55 55.02 2k5f s ASP 10 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2k5f s ASP 10 CO 0.00 -0.29 -0.15 -0.13 0.21 0.00 0.00 175.17 174.82 2k5f s ARG 11 N -2.81 3.30 0.17 8.23 3.00 -1.26 -1.30 118.95 128.28 2k5f s ARG 11 Ca 0.58 -0.72 0.02 0.00 0.00 0.00 0.00 55.73 55.61 2k5f s ARG 11 Cb -0.13 -2.60 -0.05 0.00 0.00 0.00 0.00 34.95 32.17 2k5f s ARG 11 CO 0.17 0.14 0.01 0.00 0.00 0.00 0.00 175.30 175.62 2k5f s ALA 12 N 0.51 1.33 -0.11 2.13 0.00 -0.09 -0.29 121.76 125.24 2k5f s ALA 12 Ca -0.10 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.30 2k5f s ALA 12 Cb -0.16 0.59 0.01 0.00 0.00 0.00 0.00 23.12 23.56 2k5f s ALA 12 CO 0.04 -0.34 -0.22 -2.00 0.00 0.00 0.00 175.76 173.25 2k5f s GLU 13 N -3.93 2.88 0.01 0.00 2.12 0.29 -0.80 118.70 119.26 2k5f s GLU 13 Ca 0.25 -0.81 -0.30 0.00 0.36 0.00 0.00 54.97 54.46 2k5f s GLU 13 Cb 0.06 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.15 2k5f s GLU 13 CO 0.04 0.09 1.37 0.08 -0.54 0.00 0.00 175.26 176.30 2k5f s VAL 14 N 0.57 3.74 -0.22 3.70 1.01 -0.62 -1.24 120.40 127.35 2k5f s VAL 14 Ca -0.14 1.14 0.11 0.00 0.00 0.00 0.00 61.98 63.09 2k5f s VAL 14 Cb -0.17 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.27 2k5f s VAL 14 CO 0.04 0.01 -0.05 0.35 0.00 0.00 0.00 175.10 175.45 2k5f n THR 15 N 4.57 1.38 -3.56 3.92 -2.24 -0.42 -0.63 114.28 117.30 2k5f n THR 15 Ca 0.13 -0.72 -0.17 0.00 -2.27 0.00 0.00 64.05 61.02 2k5f n THR 15 Cb 0.44 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 2k5f n THR 15 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k5f s SER 16 N -5.81 -0.63 -0.21 3.42 0.15 -1.01 -4.80 113.70 104.80 2k5f s SER 16 Ca -0.19 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2k5f s SER 16 Cb 0.07 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 65.13 2k5f s SER 16 CO 0.71 -0.52 -0.05 0.54 1.20 0.00 0.00 173.24 175.12 2k5f s VAL 17 N -0.89 1.37 -0.34 4.45 0.11 -1.26 -0.17 120.40 123.67 2k5f s VAL 17 Ca -0.09 -1.00 -0.10 0.00 -2.93 0.00 0.00 61.98 57.86 2k5f s VAL 17 Cb -0.01 -1.61 0.01 0.00 -1.53 0.00 0.00 36.38 33.24 2k5f s VAL 17 CO 0.08 -0.02 0.16 0.00 -3.33 0.00 0.00 175.10 171.99 2k5f s ALA 18 N 1.49 3.23 0.25 1.54 0.00 -0.44 -4.96 121.76 122.88 2k5f s ALA 18 Ca -0.03 -1.56 -0.21 0.00 0.00 0.00 0.00 51.96 50.16 2k5f s ALA 18 Cb -0.18 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.55 2k5f s ALA 18 CO -0.07 -1.13 0.81 0.00 0.00 0.00 0.00 175.76 175.37 2k5f s ALA 19 N 1.56 -1.29 0.58 0.00 0.00 -1.26 -4.23 121.76 117.12 2k5f s ALA 19 Ca 0.03 -0.25 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 2k5f s ALA 19 Cb -0.18 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2k5f s ALA 19 CO 0.06 -1.04 1.29 -1.21 0.00 0.00 0.00 175.76 174.86 2k5f s GLU 20 N -3.43 2.96 0.22 0.00 8.01 -1.26 -4.60 118.70 120.59 2k5f s GLU 20 Ca 0.13 2.05 -0.16 0.00 0.01 0.00 0.00 54.97 57.00 2k5f s GLU 20 Cb -0.04 -2.06 0.23 0.00 -4.31 0.00 0.00 34.13 27.95 2k5f s GLU 20 CO 0.06 -1.27 1.59 -1.00 0.01 0.00 0.00 175.26 174.65 2k5f h PRO 21 N 1.08 -0.06 -0.54 0.39 0.13 -2.01 0.52 132.00 131.51 2k5f h PRO 21 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2k5f h PRO 21 Cb 1.31 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2k5f h PRO 21 CO 0.56 -0.04 0.17 0.00 -0.23 0.00 0.00 178.00 178.45 2k5f h ALA 22 N 1.42 0.71 -0.18 -0.56 0.00 -1.99 0.61 119.26 119.26 2k5f h ALA 22 Ca 0.31 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2k5f h ALA 22 Cb 0.56 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k5f h ALA 22 CO -0.77 0.37 -0.18 0.28 0.00 0.00 0.00 179.25 178.94 2k5f h VAL 23 N 0.75 1.33 -0.61 0.00 2.07 -1.52 -1.82 116.25 116.45 2k5f h VAL 23 Ca 0.17 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2k5f h VAL 23 Cb 0.28 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2k5f h VAL 23 CO -0.01 0.40 0.33 -0.09 0.02 0.00 0.00 177.57 178.23 2k5f h ARG 24 N 0.11 0.86 -0.59 1.57 2.43 0.07 -2.09 114.38 116.74 2k5f h ARG 24 Ca 0.03 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2k5f h ARG 24 Cb 0.72 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2k5f h ARG 24 CO 0.05 0.66 0.35 -0.09 -1.51 0.00 0.00 179.97 179.43 2k5f h ARG 25 N 0.83 0.68 -0.27 0.20 9.65 -0.78 0.12 114.38 124.81 2k5f h ARG 25 Ca 0.21 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 2k5f h ARG 25 Cb 0.06 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.46 2k5f h ARG 25 CO -0.03 0.45 0.12 0.00 2.80 0.00 0.00 179.97 183.30 2k5f h ARG 26 N 0.70 0.25 -0.30 0.20 3.08 -0.92 0.69 114.38 118.08 2k5f h ARG 26 Ca 0.24 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 2k5f h ARG 26 Cb 0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2k5f h ARG 26 CO -0.10 0.16 0.18 -0.07 -1.07 0.00 0.00 179.97 179.07 2k5f h LEU 27 N 0.26 0.36 -0.81 3.04 3.38 -0.94 -0.98 115.31 119.63 2k5f h LEU 27 Ca 0.11 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 2k5f h LEU 27 Cb 0.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2k5f h LEU 27 CO -0.09 0.32 -0.27 0.24 0.09 0.00 0.00 178.44 178.72 2k5f h MET 28 N 0.38 0.59 -0.07 1.13 2.86 -0.40 0.42 114.93 119.83 2k5f h MET 28 Ca 0.11 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.38 2k5f h MET 28 Cb 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 2k5f h MET 28 CO -0.02 0.81 -0.50 0.22 1.06 0.00 0.00 176.91 178.47 2k5f h ASP 29 N 0.52 0.21 -0.35 1.22 1.82 0.65 -2.80 116.42 117.68 2k5f h ASP 29 Ca 0.07 -0.10 -0.17 0.00 -0.39 0.00 0.00 57.03 56.43 2k5f h ASP 29 Cb 0.73 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.68 2k5f h ASP 29 CO 0.06 0.68 -0.45 -0.07 -1.61 0.00 0.00 179.24 177.84 2k5f h LEU 30 N 0.15 1.00 0.00 2.28 3.38 -0.95 -3.47 115.31 117.71 2k5f h LEU 30 Ca 0.01 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2k5f h LEU 30 Cb 0.94 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2k5f h LEU 30 CO 0.08 1.30 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2k5f n GLY 31 N 0.23 -0.05 3.23 0.83 0.00 -0.91 -4.90 105.19 103.63 2k5f n GLY 31 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2k5f n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k5f s LEU 32 N 0.00 5.85 0.00 0.99 0.20 0.09 -4.60 118.68 121.21 2k5f s LEU 32 Ca 0.00 -1.98 0.06 0.00 0.69 0.00 0.00 54.13 52.89 2k5f s LEU 32 Cb 0.00 -2.06 -0.02 0.00 -0.43 0.00 0.00 46.19 43.68 2k5f s LEU 32 CO 0.00 -0.71 0.21 1.33 -0.29 0.00 0.00 176.35 176.90 2k5f n VAL 33 N 4.85 0.00 -2.10 1.68 0.24 -1.26 -3.32 118.33 118.42 2k5f n VAL 33 Ca -0.07 -2.41 -0.42 0.00 -2.04 0.00 0.00 64.34 59.40 2k5f n VAL 33 Cb 0.41 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 2k5f n VAL 33 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2k5f s ARG 34 N -3.46 4.27 0.00 7.34 3.52 -1.26 -1.90 118.95 127.46 2k5f s ARG 34 Ca 0.30 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 2k5f s ARG 34 Cb 0.01 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 2k5f s ARG 34 CO 0.21 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 2k5f n GLY 35 N 3.68 0.70 3.70 8.12 0.00 0.20 -4.99 105.19 116.60 2k5f n GLY 35 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2k5f n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5f s ALA 36 N -2.39 3.38 -0.16 4.61 0.00 -0.80 -4.84 121.76 121.57 2k5f s ALA 36 Ca 0.00 0.64 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 2k5f s ALA 36 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2k5f s ALA 36 CO 0.00 -0.54 0.35 0.15 0.00 0.00 0.00 175.76 175.73 2k5f s LYS 37 N 1.59 4.27 0.02 0.00 1.02 -1.26 -1.59 119.74 123.79 2k5f s LYS 37 Ca 0.55 0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.76 2k5f s LYS 37 Cb -0.25 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2k5f s LYS 37 CO 0.25 0.17 -0.07 -0.48 -0.92 0.00 0.00 175.35 174.31 2k5f s LEU 38 N 0.64 2.15 -0.19 3.17 2.34 0.02 -1.64 118.68 125.17 2k5f s LEU 38 Ca 0.19 -0.35 -0.04 0.00 0.06 0.00 0.00 54.13 53.99 2k5f s LEU 38 Cb -0.14 -0.21 -0.02 0.00 -0.56 0.00 0.00 46.19 45.27 2k5f s LEU 38 CO 0.06 -0.09 -0.04 -0.75 -1.06 0.00 0.00 176.35 174.48 2k5f s LYS 39 N -0.94 3.52 0.02 1.48 2.20 0.09 -0.92 119.74 125.19 2k5f s LYS 39 Ca -0.05 -0.57 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 2k5f s LYS 39 Cb -0.06 -2.97 -0.06 0.00 -1.51 0.00 0.00 37.83 33.23 2k5f s LYS 39 CO 0.00 0.02 1.33 0.08 -0.36 0.00 0.00 175.35 176.42 2k5f s VAL 40 N 0.94 3.80 -0.07 4.02 1.01 -0.42 0.16 120.40 129.84 2k5f s VAL 40 Ca 0.00 1.22 -0.00 0.00 0.00 0.00 0.00 61.98 63.20 2k5f s VAL 40 Cb -0.15 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 2k5f s VAL 40 CO 0.01 0.03 -0.01 -0.07 0.00 0.00 0.00 175.10 175.06 2k5f h LEU 41 N 7.78 0.00 -7.37 3.92 3.38 -0.55 0.47 115.31 122.95 2k5f h LEU 41 Ca -0.39 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.81 2k5f h LEU 41 Cb 1.19 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.82 2k5f h LEU 41 CO 0.88 0.34 0.63 -0.60 0.09 0.00 0.00 178.44 179.78 2k5f s ARG 42 N -1.40 0.80 0.43 1.13 3.52 -1.10 -4.07 118.95 118.26 2k5f s ARG 42 Ca -0.01 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2k5f s ARG 42 Cb 0.00 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.67 2k5f s ARG 42 CO 0.01 -0.36 0.63 -0.06 -0.81 0.00 0.00 175.30 174.71 2k5f s PHE 43 N -2.90 3.23 0.78 5.12 0.08 -1.26 -0.96 117.98 122.07 2k5f s PHE 43 Ca 0.12 0.18 -0.12 0.00 0.12 0.00 0.00 56.93 57.23 2k5f s PHE 43 Cb 0.01 -2.23 0.06 0.00 -0.57 0.00 0.00 43.02 40.28 2k5f s PHE 43 CO -0.02 -0.27 1.12 0.00 -0.10 0.00 0.00 175.22 175.95 2k5f s ALA 44 N -2.48 2.53 -1.83 5.36 0.00 -0.47 -4.90 121.76 119.96 2k5f s ALA 44 Ca 0.47 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2k5f s ALA 44 Cb -0.10 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.99 2k5f s ALA 44 CO 0.37 -1.55 0.38 -2.30 0.00 0.00 0.00 175.76 172.65 2k5f n PRO 45 N -3.28 0.00 0.00 0.00 -0.02 -1.26 -0.85 135.00 129.58 2k5f n PRO 45 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2k5f n PRO 45 Cb 0.58 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 2k5f n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2k5f n LEU 46 N -0.87 0.65 0.00 2.45 4.77 -1.26 -4.97 117.00 117.76 2k5f n LEU 46 Ca 0.00 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2k5f n LEU 46 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k5f n LEU 46 CO 0.00 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2k5f n GLY 47 N -0.14 1.45 3.16 -0.72 0.00 -0.03 -4.98 105.19 103.94 2k5f n GLY 47 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k5f n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5f s ASP 48 N -3.23 -0.36 1.00 1.61 2.15 -1.26 -4.57 116.67 112.01 2k5f s ASP 48 Ca 0.00 0.67 -0.02 0.00 0.43 0.00 0.00 52.55 53.63 2k5f s ASP 48 Cb 0.00 0.59 0.03 0.00 -0.30 0.00 0.00 42.92 43.24 2k5f s ASP 48 CO 0.00 -0.16 0.16 -2.65 -0.17 0.00 0.00 175.17 172.35 2k5f n PRO 49 N 3.85 -0.25 -4.99 4.34 -0.02 -1.26 -4.59 135.00 132.07 2k5f n PRO 49 Ca -0.21 -0.25 -0.28 0.00 -2.02 0.00 0.00 63.50 60.74 2k5f n PRO 49 Cb 0.55 -0.17 -0.16 0.00 -0.02 0.00 0.00 33.50 33.70 2k5f n PRO 49 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k5f s ILE 50 N -1.35 1.64 -0.19 4.25 1.01 0.12 -1.37 121.20 125.31 2k5f s ILE 50 Ca 0.09 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 2k5f s ILE 50 Cb -0.00 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2k5f s ILE 50 CO 0.06 0.46 0.06 -1.61 0.00 0.00 0.00 174.94 173.92 2k5f s GLU 51 N -0.19 3.94 0.05 2.79 2.02 -0.13 -0.08 118.70 127.10 2k5f s GLU 51 Ca 0.00 -0.36 0.01 0.00 0.02 0.00 0.00 54.97 54.64 2k5f s GLU 51 Cb -0.11 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 2k5f s GLU 51 CO 0.01 0.23 -0.05 0.14 0.02 0.00 0.00 175.26 175.61 2k5f s VAL 52 N 0.48 0.40 -0.44 2.63 -7.23 -0.79 0.23 120.40 115.68 2k5f s VAL 52 Ca 0.03 -1.34 -0.07 0.00 -1.81 0.00 0.00 61.98 58.79 2k5f s VAL 52 Cb -0.13 -0.89 0.11 0.00 0.56 0.00 0.00 36.38 36.03 2k5f s VAL 52 CO 0.01 -0.62 0.27 0.21 -0.31 0.00 0.00 175.10 174.65 2k5f s ASN 53 N -2.08 5.51 -0.30 4.85 2.47 0.12 -0.95 114.94 124.55 2k5f s ASN 53 Ca -0.04 -1.88 -0.08 0.00 0.42 0.00 0.00 52.86 51.28 2k5f s ASN 53 Cb -0.04 -1.93 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 2k5f s ASN 53 CO -0.03 -0.61 0.11 0.00 -3.72 0.00 0.00 177.10 172.86 2k5f n ASN 55 N 4.92 -5.69 0.00 0.00 2.85 -0.65 -0.81 115.26 115.88 2k5f n ASN 55 Ca -0.14 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2k5f n ASN 55 Cb 0.48 -4.81 0.00 0.00 1.24 0.00 0.00 39.78 36.70 2k5f n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k5f n GLY 56 N -0.84 0.46 3.66 8.20 0.00 -1.26 -5.06 105.19 110.34 2k5f n GLY 56 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2k5f n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k5f s MET 57 N -0.87 4.05 -0.42 1.61 -1.94 0.01 -5.06 119.30 116.67 2k5f s MET 57 Ca 0.00 -0.29 -0.18 0.00 -1.71 0.00 0.00 55.69 53.51 2k5f s MET 57 Cb 0.00 -3.43 0.02 0.00 2.01 0.00 0.00 34.83 33.43 2k5f s MET 57 CO 0.00 0.15 0.48 -0.51 -0.01 0.00 0.00 175.02 175.13 2k5f s LEU 58 N 0.79 4.74 -0.03 -0.03 1.02 -1.26 0.41 118.68 124.32 2k5f s LEU 58 Ca 0.07 -0.56 0.02 0.00 0.02 0.00 0.00 54.13 53.68 2k5f s LEU 58 Cb -0.13 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.61 2k5f s LEU 58 CO 0.02 -0.61 -0.09 -1.48 0.02 0.00 0.00 176.35 174.21 2k5f s LEU 59 N 2.30 1.78 -0.21 1.79 2.34 -0.12 -5.00 118.68 121.55 2k5f s LEU 59 Ca 0.15 -0.18 -0.19 0.00 0.06 0.00 0.00 54.13 53.97 2k5f s LEU 59 Cb -0.16 -0.54 -0.03 0.00 -0.56 0.00 0.00 46.19 44.90 2k5f s LEU 59 CO 0.15 0.06 0.55 -0.89 -1.06 0.00 0.00 176.35 175.15 2k5f s THR 60 N 0.21 5.08 0.26 5.48 2.01 -1.26 -1.88 115.64 125.54 2k5f s THR 60 Ca -0.03 1.00 0.06 0.00 0.31 0.00 0.00 61.69 63.03 2k5f s THR 60 Cb -0.09 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.50 2k5f s THR 60 CO 0.00 0.14 -0.07 0.00 -0.69 0.00 0.00 174.62 174.01 2k5f s MET 61 N 1.85 1.49 0.31 4.92 0.23 0.89 -4.95 119.30 124.04 2k5f s MET 61 Ca 0.25 -1.74 -0.14 0.00 -1.03 0.00 0.00 55.69 53.02 2k5f s MET 61 Cb -0.16 -1.09 -0.09 0.00 -1.53 0.00 0.00 34.83 31.97 2k5f s MET 61 CO 0.10 0.05 0.71 1.03 -2.03 0.00 0.00 175.02 174.88 2k5f s ARG 62 N -3.73 3.98 0.28 3.16 1.81 -1.26 0.14 118.95 123.33 2k5f s ARG 62 Ca 0.28 0.62 -0.03 0.00 -1.72 0.00 0.00 55.73 54.88 2k5f s ARG 62 Cb 0.03 -2.45 0.39 0.00 -0.45 0.00 0.00 34.95 32.47 2k5f s ARG 62 CO 0.11 0.17 1.93 -0.09 -0.68 0.00 0.00 175.30 176.74 2k5f h ARG 63 N 2.27 1.16 -0.05 3.54 2.43 -1.91 -1.30 114.38 120.53 2k5f h ARG 63 Ca -0.48 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.61 2k5f h ARG 63 Cb 1.17 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2k5f h ARG 63 CO 0.66 0.77 -0.03 -2.95 -1.51 0.00 0.00 179.97 176.91 2k5f h ASN 64 N 1.20 0.06 -0.04 -3.80 7.08 -1.97 -0.31 115.58 117.80 2k5f h ASN 64 Ca 0.37 -0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.43 2k5f h ASN 64 Cb -0.02 -0.01 0.01 0.00 -2.08 0.00 0.00 38.32 36.22 2k5f h ASN 64 CO -0.11 0.10 -0.58 -0.33 -2.08 0.00 0.00 177.43 174.43 2k5f h GLU 65 N 0.06 0.47 -0.05 4.14 5.08 -1.65 -3.26 114.58 119.37 2k5f h GLU 65 Ca 0.02 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.84 2k5f h GLU 65 Cb 0.10 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k5f h GLU 65 CO 0.00 1.09 -0.38 0.00 -1.00 0.00 0.00 179.01 178.73 2k5f h ALA 66 N 0.39 1.27 -0.57 3.43 0.00 -0.75 -2.83 119.26 120.19 2k5f h ALA 66 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k5f h ALA 66 Cb 1.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2k5f h ALA 66 CO 0.12 0.52 0.37 0.93 0.00 0.00 0.00 179.25 181.19 2k5f h GLU 67 N 0.10 0.76 0.00 0.00 4.39 -1.14 -1.98 114.58 116.70 2k5f h GLU 67 Ca 0.01 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k5f h GLU 67 Cb 0.72 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2k5f h GLU 67 CO 0.05 0.51 -0.01 0.78 -1.16 0.00 0.00 179.01 179.18 2k5f h GLY 68 N 0.77 0.00 -5.63 -3.84 0.00 -1.54 -3.44 103.07 89.40 2k5f h GLY 68 Ca 0.21 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.96 2k5f h GLY 68 CO -0.04 0.00 0.17 -0.42 0.00 0.00 0.00 176.54 176.25 2k5f s ILE 69 N -3.79 5.00 -0.24 2.60 1.01 -0.76 -1.32 121.20 123.69 2k5f s ILE 69 Ca -0.00 1.34 -0.09 0.00 0.00 0.00 0.00 60.65 61.89 2k5f s ILE 69 Cb 0.10 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2k5f s ILE 69 CO 0.52 0.13 0.12 -0.89 0.00 0.00 0.00 174.94 174.82 2k5f s THR 70 N 1.69 4.93 0.30 2.92 2.01 0.76 -0.92 115.64 127.34 2k5f s THR 70 Ca 0.33 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.41 2k5f s THR 70 Cb -0.16 -3.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 2k5f s THR 70 CO 0.12 0.34 0.02 0.68 -0.69 0.00 0.00 174.62 175.09 2k5f s VAL 71 N 1.28 1.31 -0.05 3.82 -7.23 0.18 -1.29 120.40 118.42 2k5f s VAL 71 Ca 0.06 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 2k5f s VAL 71 Cb -0.14 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.16 2k5f s VAL 71 CO 0.05 -0.13 -0.11 -2.28 -0.31 0.00 0.00 175.10 172.33 2k5f s HIS 72 N -3.22 1.27 0.14 2.82 2.46 -0.37 -2.24 115.29 116.15 2k5f s HIS 72 Ca 0.33 -0.42 -0.31 0.00 0.47 0.00 0.00 55.06 55.13 2k5f s HIS 72 Cb 0.07 -0.94 -0.09 0.00 -0.13 0.00 0.00 32.58 31.49 2k5f s HIS 72 CO 0.14 -0.22 1.47 0.42 -2.47 0.00 0.00 174.74 174.08 2k5f s ILE 73 N 0.56 2.96 -1.28 0.89 1.01 -1.26 -0.55 121.20 123.53 2k5f s ILE 73 Ca -0.11 0.69 -0.14 0.00 0.00 0.00 0.00 60.65 61.09 2k5f s ILE 73 Cb -0.14 -3.44 0.13 0.00 0.01 0.00 0.00 42.46 39.01 2k5f s ILE 73 CO 0.02 0.06 1.69 0.18 0.00 0.00 0.00 174.94 176.89 2k5f n LEU 74 N 3.89 5.54 -3.85 2.97 4.77 0.60 -4.87 117.00 126.05 2k5f n LEU 74 Ca 0.12 -4.29 -0.08 0.00 -0.03 0.00 0.00 56.01 51.73 2k5f n LEU 74 Cb 0.40 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 2k5f n LEU 74 CO 0.60 0.69 0.47 0.00 -1.33 0.00 0.00 177.39 177.83 2k5f s ALA 75 N 2.37 -0.81 -1.69 -1.18 0.00 -1.26 -4.85 121.76 114.34 2k5f s ALA 75 Ca 0.46 -0.64 0.16 0.00 0.00 0.00 0.00 51.96 51.95 2k5f s ALA 75 Cb 0.03 0.78 0.05 0.00 0.00 0.00 0.00 23.12 23.98 2k5f s ALA 75 CO 0.02 -0.99 0.91 0.41 0.00 0.00 0.00 175.76 176.11 2k5f n GLY 76 N -0.50 0.06 3.55 0.00 0.00 -1.26 -4.66 105.19 102.38 2k5f n GLY 76 Ca -0.06 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2k5f n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5f s ASP 77 N -1.68 6.22 -0.76 1.61 1.11 -1.26 -4.12 116.67 117.78 2k5f s ASP 77 Ca 0.16 -0.63 -0.00 0.00 0.18 0.00 0.00 52.55 52.25 2k5f s ASP 77 Cb 0.13 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.56 2k5f s ASP 77 CO 0.32 -1.78 0.67 -0.62 1.18 0.00 0.00 175.17 174.95 2k5f n GLU 78 N 9.27 -1.39 0.03 8.23 1.02 -1.26 -4.94 120.64 131.61 2k5f n GLU 78 Ca 0.08 1.29 -0.10 0.00 -0.02 0.00 0.00 57.16 58.41 2k5f n GLU 78 Cb 0.49 -4.77 -0.13 0.00 -0.02 0.00 0.00 31.44 27.01 2k5f n GLU 78 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2k5f h GLY 79 N 0.25 0.06 -2.18 0.62 0.00 -1.83 -3.50 103.07 96.49 2k5f h GLY 79 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2k5f h GLY 79 CO 0.32 0.13 -0.56 1.42 0.00 0.00 0.00 176.54 177.86 2k5f n HIS 80 N -3.26 -2.53 -2.19 5.60 8.25 -1.26 -4.87 115.22 114.96 2k5f n HIS 80 Ca -0.10 1.36 -0.41 0.00 -0.26 0.00 0.00 57.72 58.32 2k5f n HIS 80 Cb 1.00 -2.35 -0.03 0.00 1.12 0.00 0.00 29.99 29.73 2k5f n HIS 80 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2k5f s PRO 81 N -4.78 4.39 -0.53 -0.41 0.02 -1.26 -4.99 135.00 127.45 2k5f s PRO 81 Ca 0.00 2.10 -0.17 0.00 0.02 0.00 0.00 61.00 62.95 2k5f s PRO 81 Cb 0.00 -3.16 0.09 0.00 0.02 0.00 0.00 34.50 31.46 2k5f s PRO 81 CO 0.00 -0.22 0.54 -1.01 -0.33 0.00 0.00 177.00 175.98 2k5f s HIS 82 N -0.28 3.15 -0.53 6.54 3.76 -1.26 -5.01 115.29 121.65 2k5f s HIS 82 Ca 0.54 -0.96 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 2k5f s HIS 82 Cb -0.37 -3.62 0.05 0.00 1.11 0.00 0.00 32.58 29.75 2k5f s HIS 82 CO 0.42 -1.02 0.75 0.20 -0.85 0.00 0.00 174.74 174.24 2k5f s GLY 83 N 3.14 1.63 0.27 -2.22 0.00 -1.26 -5.04 107.32 103.84 2k5f s GLY 83 Ca 0.08 -1.60 -0.22 0.00 0.00 0.00 0.00 44.72 42.98 2k5f s GLY 83 CO 0.06 1.69 0.81 -0.98 0.00 0.00 0.00 173.10 174.68 2k5f s TRP 84 N 3.13 3.64 0.42 1.90 0.52 -1.26 -5.05 118.94 122.25 2k5f s TRP 84 Ca 0.20 1.52 -0.25 0.00 0.02 0.00 0.00 56.10 57.60 2k5f s TRP 84 Cb -0.17 -2.72 -0.08 0.00 -1.15 0.00 0.00 33.47 29.34 2k5f s TRP 84 CO 0.14 0.27 1.22 -2.14 0.02 0.00 0.00 176.95 176.46 2k5f s PRO 85 N -2.07 3.92 0.29 4.98 0.02 -1.26 -5.05 135.00 135.83 2k5f s PRO 85 Ca 0.46 1.94 0.08 0.00 0.02 0.00 0.00 61.00 63.51 2k5f s PRO 85 Cb -0.17 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.69 2k5f s PRO 85 CO 0.22 -0.46 0.11 0.20 -0.33 0.00 0.00 177.00 176.73 2k5f s GLY 86 N -1.05 1.69 -0.07 0.52 0.00 -1.26 -4.95 107.32 102.20 2k5f s GLY 86 Ca 0.59 -1.65 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 2k5f s GLY 86 CO 0.41 -1.66 0.07 0.33 0.00 0.00 0.00 173.10 172.26 2k5f n PHE 87 N -1.08 -1.45 -4.21 1.90 7.35 -1.26 -5.09 117.46 113.62 2k5f n PHE 87 Ca -0.05 0.82 -0.19 0.00 -0.76 0.00 0.00 57.45 57.26 2k5f n PHE 87 Cb 0.59 -2.30 -0.16 0.00 0.35 0.00 0.00 39.48 37.97 2k5f n PHE 87 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2k5f s ARG 88 N -0.84 0.78 -0.22 -4.13 1.70 -1.26 -5.14 118.95 109.84 2k5f s ARG 88 Ca -0.08 -0.15 -0.08 0.00 -0.47 0.00 0.00 55.73 54.94 2k5f s ARG 88 Cb 0.01 -0.77 0.09 0.00 -0.57 0.00 0.00 34.95 33.71 2k5f s ARG 88 CO 0.26 -0.01 0.48 0.50 -1.08 0.00 0.00 175.30 175.44 2k5f s ARG 89 N 0.60 0.41 -0.10 3.89 3.52 -1.26 -5.04 118.95 120.97 2k5f s ARG 89 Ca -0.08 1.08 -0.05 0.00 -0.13 0.00 0.00 55.73 56.54 2k5f s ARG 89 Cb -0.11 0.35 -0.27 0.00 -1.56 0.00 0.00 34.95 33.36 2k5f s ARG 89 CO 0.00 -0.22 0.46 -0.09 -0.81 0.00 0.00 175.30 174.64 2k5f h ARG 90 N 7.88 0.26 -4.40 5.12 2.43 -2.09 -3.43 114.38 120.15 2k5f h ARG 90 Ca -0.21 -0.44 -0.72 0.00 -0.81 0.00 0.00 59.98 57.80 2k5f h ARG 90 Cb 1.13 0.17 -0.28 0.00 -0.42 0.00 0.00 29.97 30.56 2k5f h ARG 90 CO 0.15 1.16 -0.44 -1.01 -1.51 0.00 0.00 179.97 178.32 2k5f s HIS 91 N -2.57 3.35 -1.20 2.20 3.76 -1.26 -4.99 115.29 114.59 2k5f s HIS 91 Ca -0.19 -1.58 -0.09 0.00 -0.15 0.00 0.00 55.06 53.05 2k5f s HIS 91 Cb 0.07 -3.12 0.22 0.00 1.11 0.00 0.00 32.58 30.85 2k5f s HIS 91 CO 0.79 -0.89 1.61 0.54 -0.85 0.00 0.00 174.74 175.95 2k5f n ARG 92 N 4.94 3.81 -3.71 1.40 1.74 -1.26 -4.63 116.66 118.94 2k5f n ARG 92 Ca -0.10 -3.97 -0.24 0.00 -0.77 0.00 0.00 57.85 52.77 2k5f n ARG 92 Cb 0.42 -2.79 0.05 0.00 -1.02 0.00 0.00 32.46 29.12 2k5f n ARG 92 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2k5f n PHE 93 N 3.34 -2.27 -1.44 -1.55 3.72 -1.26 -4.84 117.46 113.16 2k5f n PHE 93 Ca 0.34 0.91 -0.39 0.00 -0.05 0.00 0.00 57.45 58.25 2k5f n PHE 93 Cb 0.37 -4.48 -0.02 0.00 -0.94 0.00 0.00 39.48 34.41 2k5f n PHE 93 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k5f n GLY 94 N -1.64 4.06 2.61 1.37 0.00 -1.26 -4.77 105.19 105.57 2k5f n GLY 94 Ca -0.13 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 2k5f n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5f s LYS 95 N 3.04 0.09 0.01 1.61 1.02 -1.26 -5.06 119.74 119.19 2k5f s LYS 95 Ca 0.55 -0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.39 2k5f s LYS 95 Cb 0.15 -1.67 0.00 0.00 -0.52 0.00 0.00 37.83 35.79 2k5f s LYS 95 CO -0.05 -0.74 0.01 -2.13 -0.92 0.00 0.00 175.35 171.52 2k5f n ARG 96 N 5.28 -3.57 -3.12 1.68 0.63 -1.26 -5.02 116.66 111.27 2k5f n ARG 96 Ca -0.07 2.75 -0.29 0.00 -0.92 0.00 0.00 57.85 59.33 2k5f n ARG 96 Cb 0.48 -3.45 -0.03 0.00 0.45 0.00 0.00 32.46 29.91 2k5f n ARG 96 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k5f s ALA 97 N -0.42 3.51 0.11 5.13 0.00 -1.26 -5.05 121.76 123.78 2k5f s ALA 97 Ca -0.01 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 2k5f s ALA 97 Cb 0.00 -2.46 -0.06 0.00 0.00 0.00 0.00 23.12 20.60 2k5f s ALA 97 CO 0.03 0.11 1.07 -1.17 0.00 0.00 0.00 175.76 175.80 2k5f s LEU 98 N -3.74 4.45 0.17 0.00 2.96 -1.26 -5.04 118.68 116.22 2k5f s LEU 98 Ca 0.47 1.93 -0.07 0.00 -0.22 0.00 0.00 54.13 56.24 2k5f s LEU 98 Cb -0.10 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 2k5f s LEU 98 CO 0.31 -0.25 0.44 -1.61 -1.32 0.00 0.00 176.35 173.93 2k5f s GLU 99 N 0.26 3.70 0.63 1.98 2.02 -1.26 -5.10 118.70 120.93 2k5f s GLU 99 Ca 0.51 0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.58 2k5f s GLU 99 Cb -0.27 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.26 2k5f s GLU 99 CO 0.31 0.42 0.88 -1.58 0.02 0.00 0.00 175.26 175.31 2k5f s HIS 100 N -1.70 2.14 -0.07 1.61 2.46 -1.26 -5.10 115.29 113.38 2k5f s HIS 100 Ca 0.43 -0.20 0.03 0.00 0.47 0.00 0.00 55.06 55.79 2k5f s HIS 100 Cb -0.12 -2.82 -0.02 0.00 -0.13 0.00 0.00 32.58 29.49 2k5f s HIS 100 CO 0.23 -1.29 -0.15 -1.01 -2.47 0.00 0.00 174.74 170.05 2k5f s HIS 101 N -2.93 2.70 0.00 3.88 0.09 -1.26 -5.06 115.29 112.70 2k5f s HIS 101 Ca 0.62 -0.33 0.00 0.00 -0.00 0.00 0.00 55.06 55.35 2k5f s HIS 101 Cb -0.08 -1.68 0.00 0.00 -0.00 0.00 0.00 32.58 30.83 2k5f s HIS 101 CO 0.41 0.05 0.00 0.72 -0.00 0.00 0.00 174.74 175.92 2k5f n HIS 102 N 2.66 0.00 -4.66 1.40 8.25 -1.26 -5.08 115.22 116.52 2k5f n HIS 102 Ca -0.17 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.99 2k5f n HIS 102 Cb 0.52 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 2k5f n HIS 102 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5f s HIS 103 N -0.18 2.11 0.10 4.41 5.65 -1.26 -5.16 115.29 120.96 2k5f s HIS 103 Ca 0.00 -0.88 0.04 0.00 0.25 0.00 0.00 55.06 54.46 2k5f s HIS 103 Cb 0.00 -1.61 -0.04 0.00 -1.18 0.00 0.00 32.58 29.76 2k5f s HIS 103 CO 0.00 0.25 -0.10 -3.38 -0.65 0.00 0.00 174.74 170.86 2k5f s HIS 104 N -2.88 1.05 0.00 3.88 -3.43 -1.26 -5.28 115.29 107.37 2k5f s HIS 104 Ca 0.21 -0.69 0.00 0.00 -0.80 0.00 0.00 55.06 53.78 2k5f s HIS 104 Cb 0.05 -0.57 0.00 0.00 -1.43 0.00 0.00 32.58 30.63 2k5f s HIS 104 CO 0.11 -0.01 0.00 0.72 -2.00 0.00 0.00 174.74 173.55