#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 3.82 0.41 2.12 3.01 -1.26 -0.61 119.74 127.23 2k5f s LYS 2 Ca 0.00 1.13 0.13 0.00 -1.01 0.00 0.00 55.97 56.22 2k5f s LYS 2 Cb 0.00 -2.11 0.85 0.00 -1.01 0.00 0.00 37.83 35.56 2k5f s LYS 2 CO 0.00 -0.39 1.91 1.25 0.51 0.00 0.00 175.35 178.63 2k5f h LEU 3 N 1.13 0.02 -0.29 3.17 5.85 -0.11 -1.97 115.31 123.10 2k5f h LEU 3 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2k5f h LEU 3 Cb 1.20 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2k5f h LEU 3 CO 0.60 0.29 0.00 -0.24 -0.34 0.00 0.00 178.44 178.74 2k5f n SER 4 N -4.21 0.58 -0.53 1.25 2.88 -1.11 -2.80 113.62 109.69 2k5f n SER 4 Ca -0.02 0.60 0.11 0.00 -1.33 0.00 0.00 58.87 58.23 2k5f n SER 4 Cb 0.32 -0.74 0.40 0.00 -0.75 0.00 0.00 64.21 63.45 2k5f n SER 4 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k5f n GLU 5 N -2.09 1.70 -1.91 -1.46 1.02 -0.74 -4.89 120.64 112.27 2k5f n GLU 5 Ca 0.04 -1.05 -0.30 0.00 -0.02 0.00 0.00 57.16 55.83 2k5f n GLU 5 Cb 0.31 -1.40 0.19 0.00 -0.02 0.00 0.00 31.44 30.51 2k5f n GLU 5 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k5f s LEU 6 N -1.63 2.66 0.31 -4.62 1.43 -1.12 -4.96 118.68 110.75 2k5f s LEU 6 Ca 0.33 0.28 0.10 0.00 -1.03 0.00 0.00 54.13 53.81 2k5f s LEU 6 Cb 0.18 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 2k5f s LEU 6 CO 0.27 -2.76 -0.01 -0.54 0.23 0.00 0.00 176.35 173.54 2k5f s LYS 7 N -5.87 2.11 -0.48 1.70 1.02 -1.26 -5.02 119.74 111.93 2k5f s LYS 7 Ca 0.74 -1.63 -0.27 0.00 0.02 0.00 0.00 55.97 54.82 2k5f s LYS 7 Cb -0.04 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 2k5f s LYS 7 CO 0.53 0.23 1.84 0.00 -0.92 0.00 0.00 175.35 177.04 2k5f s ALA 8 N -2.45 2.46 0.00 5.17 0.00 -1.26 -1.08 121.76 124.60 2k5f s ALA 8 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.07 2k5f s ALA 8 Cb -0.03 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.92 2k5f s ALA 8 CO 0.19 -3.35 0.00 0.41 0.00 0.00 0.00 175.76 173.02 2k5f n GLY 9 N 5.57 0.86 3.81 0.00 0.00 0.25 -5.01 105.19 110.67 2k5f n GLY 9 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 2k5f n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5f s ASP 10 N -1.48 4.68 -0.12 1.61 -1.08 -0.25 -4.80 116.67 115.24 2k5f s ASP 10 Ca 0.00 1.38 -0.00 0.00 -0.52 0.00 0.00 52.55 53.41 2k5f s ASP 10 Cb 0.00 -2.14 0.02 0.00 -1.46 0.00 0.00 42.92 39.34 2k5f s ASP 10 CO 0.00 -1.86 -0.09 -0.13 0.52 0.00 0.00 175.17 173.62 2k5f s ARG 11 N -5.13 1.65 0.05 4.34 3.00 -1.26 -2.03 118.95 119.58 2k5f s ARG 11 Ca 0.60 -0.30 -0.01 0.00 0.00 0.00 0.00 55.73 56.02 2k5f s ARG 11 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 34.95 33.11 2k5f s ARG 11 CO 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 175.30 175.57 2k5f s ALA 12 N 1.64 0.52 -0.12 2.13 0.00 -0.71 -0.83 121.76 124.39 2k5f s ALA 12 Ca 0.04 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 50.82 2k5f s ALA 12 Cb -0.13 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2k5f s ALA 12 CO -0.08 -0.38 -0.22 -2.00 0.00 0.00 0.00 175.76 173.08 2k5f s GLU 13 N -3.93 3.09 0.08 0.00 2.12 0.71 -0.99 118.70 119.78 2k5f s GLU 13 Ca 0.08 -0.84 -0.31 0.00 0.36 0.00 0.00 54.97 54.26 2k5f s GLU 13 Cb 0.08 -2.39 -0.08 0.00 0.26 0.00 0.00 34.13 31.99 2k5f s GLU 13 CO -0.09 0.12 1.56 0.08 -0.54 0.00 0.00 175.26 176.39 2k5f s VAL 14 N 0.51 3.09 -0.21 3.70 1.01 -0.11 -0.41 120.40 127.99 2k5f s VAL 14 Ca -0.14 0.63 0.07 0.00 0.00 0.00 0.00 61.98 62.54 2k5f s VAL 14 Cb -0.17 -3.40 -0.17 0.00 0.00 0.00 0.00 36.38 32.63 2k5f s VAL 14 CO 0.05 0.01 -0.11 0.35 0.00 0.00 0.00 175.10 175.40 2k5f n THR 15 N 4.48 1.29 -3.55 3.92 -2.24 -0.69 -0.69 114.28 116.81 2k5f n THR 15 Ca 0.14 -0.59 -0.17 0.00 -2.27 0.00 0.00 64.05 61.17 2k5f n THR 15 Cb 0.41 -1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 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 -5.89 -0.66 -0.19 3.42 0.15 -1.10 -4.74 113.70 104.68 2k5f s SER 16 Ca -0.24 0.87 0.01 0.00 0.70 0.00 0.00 55.95 57.29 2k5f s SER 16 Cb 0.07 0.74 0.04 0.00 -1.71 0.00 0.00 66.02 65.16 2k5f s SER 16 CO 0.60 -0.50 -0.13 -0.69 1.20 0.00 0.00 173.24 173.72 2k5f s VAL 17 N -0.80 1.78 -0.52 4.45 1.01 -1.26 -0.49 120.40 124.57 2k5f s VAL 17 Ca -0.08 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 2k5f s VAL 17 Cb -0.01 -1.77 0.13 0.00 0.00 0.00 0.00 36.38 34.72 2k5f s VAL 17 CO 0.07 0.28 0.41 0.00 0.00 0.00 0.00 175.10 175.86 2k5f s ALA 18 N 1.35 3.51 0.22 5.51 0.00 0.45 -4.97 121.76 127.83 2k5f s ALA 18 Ca 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 51.96 49.30 2k5f s ALA 18 Cb -0.15 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2k5f s ALA 18 CO -0.09 -1.96 0.39 0.00 0.00 0.00 0.00 175.76 174.10 2k5f n ALA 19 N 4.90 -0.71 -1.63 0.00 0.00 -1.26 -4.23 120.51 117.57 2k5f n ALA 19 Ca -0.08 -0.82 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 2k5f n ALA 19 Cb 0.41 0.66 0.00 0.00 0.00 0.00 0.00 19.45 20.52 2k5f n ALA 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k5f n GLU 20 N -0.32 1.54 -0.20 0.00 -0.58 -1.26 -4.76 120.64 115.06 2k5f n GLU 20 Ca -0.03 0.55 0.03 0.00 -0.42 0.00 0.00 57.16 57.29 2k5f n GLU 20 Cb 0.35 -2.07 0.29 0.00 -0.57 0.00 0.00 31.44 29.44 2k5f n GLU 20 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2k5f h PRO 21 N 1.88 0.88 -0.03 3.49 0.13 -2.00 0.23 132.00 136.59 2k5f h PRO 21 Ca -0.44 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 2k5f h PRO 21 Cb 1.32 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2k5f h PRO 21 CO 0.59 0.58 -0.80 0.00 -0.23 0.00 0.00 178.00 178.14 2k5f h ALA 22 N 1.57 0.58 -0.06 -0.56 0.00 -1.99 -2.16 119.26 116.65 2k5f h ALA 22 Ca 0.29 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2k5f h ALA 22 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k5f h ALA 22 CO -0.08 0.83 -0.25 0.28 0.00 0.00 0.00 179.25 180.03 2k5f h VAL 23 N 0.17 1.45 -0.80 0.00 2.07 -1.65 0.59 116.25 118.08 2k5f h VAL 23 Ca -0.04 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 65.81 2k5f h VAL 23 Cb 1.39 2.38 -0.04 0.00 -1.52 0.00 0.00 31.29 33.50 2k5f h VAL 23 CO 0.13 0.48 0.52 -0.09 0.02 0.00 0.00 177.57 178.63 2k5f h ARG 24 N -0.26 1.02 0.03 1.57 2.43 -0.67 0.91 114.38 119.41 2k5f h ARG 24 Ca -0.02 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2k5f h ARG 24 Cb 0.91 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2k5f h ARG 24 CO 0.05 0.67 -0.02 -0.09 -1.51 0.00 0.00 179.97 179.08 2k5f h ARG 25 N 1.05 -0.04 -0.52 0.20 9.65 -1.33 0.05 114.38 123.44 2k5f h ARG 25 Ca 0.30 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.24 2k5f h ARG 25 Cb -0.07 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.47 2k5f h ARG 25 CO -0.08 -0.03 0.25 -0.09 2.80 0.00 0.00 179.97 182.82 2k5f h ARG 26 N -0.05 0.47 -0.62 0.20 2.43 -0.22 0.50 114.38 117.10 2k5f h ARG 26 Ca -0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 2k5f h ARG 26 Cb 0.04 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2k5f h ARG 26 CO 0.00 0.31 0.09 -0.07 -1.51 0.00 0.00 179.97 178.80 2k5f h LEU 27 N 0.49 0.99 -0.48 3.80 3.38 -0.68 -2.10 115.31 120.70 2k5f h LEU 27 Ca 0.23 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2k5f h LEU 27 Cb 0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2k5f h LEU 27 CO -0.17 1.00 -0.75 0.24 0.09 0.00 0.00 178.44 178.85 2k5f h MET 28 N 0.94 0.08 -0.11 1.13 2.86 -0.20 0.19 114.93 119.82 2k5f h MET 28 Ca 0.19 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2k5f h MET 28 Cb 0.44 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2k5f h MET 28 CO 0.01 0.79 -0.16 -0.44 1.06 0.00 0.00 176.91 178.18 2k5f h ASP 29 N 0.05 0.16 -0.08 1.22 3.32 0.14 -2.66 116.42 118.56 2k5f h ASP 29 Ca -0.02 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 2k5f h ASP 29 Cb 1.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2k5f h ASP 29 CO 0.10 0.34 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.68 2k5f h LEU 30 N 0.16 0.33 0.00 1.55 3.38 -0.82 -3.48 115.31 116.44 2k5f h LEU 30 Ca 0.03 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2k5f h LEU 30 Cb 0.38 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2k5f h LEU 30 CO 0.02 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2k5f n GLY 31 N 0.52 -0.43 3.53 0.83 0.00 -0.37 -5.07 105.19 104.21 2k5f n GLY 31 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 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 4.13 0.00 0.99 0.20 0.52 -4.68 118.68 119.84 2k5f s LEU 32 Ca 0.00 -2.19 0.00 0.00 0.69 0.00 0.00 54.13 52.64 2k5f s LEU 32 Cb 0.00 -2.52 -0.00 0.00 -0.43 0.00 0.00 46.19 43.24 2k5f s LEU 32 CO 0.00 -1.18 0.01 1.33 -0.29 0.00 0.00 176.35 176.22 2k5f n VAL 33 N 6.10 0.00 -2.02 1.68 0.24 -1.26 -3.32 118.33 119.74 2k5f n VAL 33 Ca 0.38 -1.24 -0.43 0.00 -2.04 0.00 0.00 64.34 61.02 2k5f n VAL 33 Cb 0.47 0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.92 3.85 0.00 7.34 3.52 -1.26 -1.41 118.95 128.06 2k5f s ARG 34 Ca 0.02 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 57.49 2k5f s ARG 34 Cb 0.00 -4.06 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 2k5f s ARG 34 CO 0.01 -1.24 0.00 0.41 -0.81 0.00 0.00 175.30 173.67 2k5f n GLY 35 N 4.63 0.63 3.70 8.12 0.00 0.14 -5.01 105.19 117.39 2k5f n GLY 35 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.45 -0.19 4.61 0.00 -0.50 -4.82 121.76 122.31 2k5f s ALA 36 Ca 0.00 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 52.52 2k5f s ALA 36 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2k5f s ALA 36 CO 0.00 -0.65 0.26 0.15 0.00 0.00 0.00 175.76 175.51 2k5f s LYS 37 N 1.85 4.20 0.02 0.00 1.02 -1.26 -0.93 119.74 124.63 2k5f s LYS 37 Ca 0.57 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.55 2k5f s LYS 37 Cb -0.26 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 2k5f s LYS 37 CO 0.24 0.16 -0.03 -0.48 -0.92 0.00 0.00 175.35 174.33 2k5f s LEU 38 N 0.72 2.20 -0.18 3.17 2.34 -0.16 -0.48 118.68 126.29 2k5f s LEU 38 Ca 0.14 -0.42 -0.04 0.00 0.06 0.00 0.00 54.13 53.87 2k5f s LEU 38 Cb -0.13 0.06 -0.02 0.00 -0.56 0.00 0.00 46.19 45.54 2k5f s LEU 38 CO 0.04 -0.24 -0.04 -0.75 -1.06 0.00 0.00 176.35 174.29 2k5f s LYS 39 N -1.21 3.55 -0.50 1.48 2.20 0.19 -1.74 119.74 123.70 2k5f s LYS 39 Ca -0.13 -0.57 -0.27 0.00 -0.36 0.00 0.00 55.97 54.64 2k5f s LYS 39 Cb -0.08 -2.94 -0.02 0.00 -1.51 0.00 0.00 37.83 33.28 2k5f s LYS 39 CO -0.01 0.07 1.77 0.08 -0.36 0.00 0.00 175.35 176.91 2k5f s VAL 40 N 0.81 3.47 -0.03 4.02 1.01 -0.86 -0.12 120.40 128.70 2k5f s VAL 40 Ca -0.01 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 2k5f s VAL 40 Cb -0.15 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 2k5f s VAL 40 CO 0.02 -0.75 0.62 -0.07 0.00 0.00 0.00 175.10 174.92 2k5f h LEU 41 N 14.96 -0.41 -7.00 3.92 3.38 -1.37 0.71 115.31 129.50 2k5f h LEU 41 Ca -0.29 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 2k5f h LEU 41 Cb 1.16 0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 2k5f h LEU 41 CO 1.14 -0.05 0.20 -0.13 0.09 0.00 0.00 178.44 179.69 2k5f s ARG 42 N -3.16 1.13 0.27 1.13 0.52 -1.05 -4.20 118.95 113.59 2k5f s ARG 42 Ca -0.07 0.04 -0.05 0.00 -0.52 0.00 0.00 55.73 55.13 2k5f s ARG 42 Cb 0.01 0.53 -0.05 0.00 0.52 0.00 0.00 34.95 35.95 2k5f s ARG 42 CO 0.21 -0.40 0.54 -0.06 0.02 0.00 0.00 175.30 175.61 2k5f s PHE 43 N -1.97 3.47 0.79 -0.53 0.40 -1.26 -0.38 117.98 118.50 2k5f s PHE 43 Ca -0.07 0.65 -0.14 0.00 -0.60 0.00 0.00 56.93 56.76 2k5f s PHE 43 Cb -0.00 -2.10 0.05 0.00 0.51 0.00 0.00 43.02 41.47 2k5f s PHE 43 CO 0.03 0.20 1.06 0.00 0.70 0.00 0.00 175.22 177.22 2k5f n ALA 44 N -0.80 -0.27 0.00 5.36 0.00 0.18 -4.80 120.51 120.18 2k5f n ALA 44 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2k5f n ALA 44 Cb 0.54 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2k5f n ALA 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k5f n PRO 45 N -2.65 0.00 0.00 0.00 -0.04 -1.26 -1.84 135.00 129.21 2k5f n PRO 45 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2k5f n PRO 45 Cb 0.50 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 2k5f n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k5f n LEU 46 N -0.56 0.89 0.00 1.53 4.77 -1.26 -5.05 117.00 117.32 2k5f n LEU 46 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 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 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2k5f n GLY 47 N 2.12 0.62 3.30 -0.72 0.00 -0.77 -5.13 105.19 104.61 2k5f n GLY 47 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.39 0.56 1.61 -1.08 -1.26 -4.55 116.67 111.57 2k5f s ASP 48 Ca 0.00 0.67 0.00 0.00 -0.52 0.00 0.00 52.55 52.70 2k5f s ASP 48 Cb 0.00 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.18 2k5f s ASP 48 CO 0.00 -0.22 0.00 -0.81 0.52 0.00 0.00 175.17 174.66 2k5f n PRO 49 N 2.47 0.56 -5.04 4.34 -0.04 -1.26 -4.62 135.00 131.41 2k5f n PRO 49 Ca -0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 2k5f n PRO 49 Cb 0.57 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.88 2k5f n PRO 49 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k5f s ILE 50 N -0.25 2.60 -0.28 0.52 1.01 -0.34 -0.65 121.20 123.81 2k5f s ILE 50 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.69 2k5f s ILE 50 Cb 0.00 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 2k5f s ILE 50 CO 0.00 0.57 0.14 -1.61 0.00 0.00 0.00 174.94 174.04 2k5f s GLU 51 N -0.27 3.59 -0.04 2.79 2.02 0.49 -2.42 118.70 124.86 2k5f s GLU 51 Ca 0.01 -0.54 0.06 0.00 0.02 0.00 0.00 54.97 54.52 2k5f s GLU 51 Cb -0.13 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.57 2k5f s GLU 51 CO 0.03 -0.29 -0.22 0.14 0.02 0.00 0.00 175.26 174.94 2k5f s VAL 52 N 1.65 1.78 -0.60 2.63 -7.23 -0.54 -0.96 120.40 117.14 2k5f s VAL 52 Ca 0.06 -0.93 -0.19 0.00 -1.81 0.00 0.00 61.98 59.10 2k5f s VAL 52 Cb -0.16 -1.50 0.10 0.00 0.56 0.00 0.00 36.38 35.37 2k5f s VAL 52 CO 0.07 0.50 0.74 0.21 -0.31 0.00 0.00 175.10 176.31 2k5f s ASN 53 N -0.24 6.18 -0.29 4.85 3.04 0.83 0.21 114.94 129.53 2k5f s ASN 53 Ca 0.01 -1.34 -0.07 0.00 0.04 0.00 0.00 52.86 51.49 2k5f s ASN 53 Cb -0.11 -2.32 -0.00 0.00 -1.54 0.00 0.00 41.25 37.28 2k5f s ASN 53 CO 0.02 -1.16 0.09 0.00 -3.04 0.00 0.00 177.10 173.00 2k5f n ASN 55 N 4.89 -4.78 0.00 0.00 3.02 0.37 -0.77 115.26 117.99 2k5f n ASN 55 Ca -0.15 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 2k5f n ASN 55 Cb 0.49 -3.90 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 2k5f n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5f n GLY 56 N -1.36 3.36 3.75 7.41 0.00 -1.26 -5.03 105.19 112.06 2k5f n GLY 56 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.74 4.15 -0.57 1.61 -1.94 0.05 -5.03 119.30 116.82 2k5f s MET 57 Ca 0.00 0.01 -0.27 0.00 -1.71 0.00 0.00 55.69 53.72 2k5f s MET 57 Cb 0.00 -3.39 0.03 0.00 2.01 0.00 0.00 34.83 33.48 2k5f s MET 57 CO 0.00 0.33 1.13 -0.51 -0.01 0.00 0.00 175.02 175.95 2k5f s LEU 58 N 0.22 3.62 -0.20 -0.03 1.02 -1.26 0.56 118.68 122.61 2k5f s LEU 58 Ca 0.14 -0.03 -0.07 0.00 0.02 0.00 0.00 54.13 54.19 2k5f s LEU 58 Cb -0.13 -3.07 -0.04 0.00 0.02 0.00 0.00 46.19 42.98 2k5f s LEU 58 CO 0.03 -1.42 0.07 -0.76 0.02 0.00 0.00 176.35 174.29 2k5f s LEU 59 N 4.70 3.71 -0.23 1.79 1.43 0.13 -4.95 118.68 125.25 2k5f s LEU 59 Ca 0.39 -0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.43 2k5f s LEU 59 Cb -0.09 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2k5f s LEU 59 CO 0.24 0.11 0.03 -0.89 0.23 0.00 0.00 176.35 176.07 2k5f s THR 60 N 0.76 4.03 0.22 5.49 2.01 -1.26 -1.47 115.64 125.42 2k5f s THR 60 Ca 0.04 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.76 2k5f s THR 60 Cb -0.13 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 2k5f s THR 60 CO 0.02 0.37 0.16 0.00 -0.69 0.00 0.00 174.62 174.48 2k5f s MET 61 N 1.48 1.28 0.33 4.92 0.23 -1.02 -5.01 119.30 121.51 2k5f s MET 61 Ca 0.06 -1.66 -0.13 0.00 -1.03 0.00 0.00 55.69 52.92 2k5f s MET 61 Cb -0.15 0.28 -0.08 0.00 -1.53 0.00 0.00 34.83 33.36 2k5f s MET 61 CO 0.02 -0.43 0.72 1.03 -2.03 0.00 0.00 175.02 174.32 2k5f s ARG 62 N -4.06 3.92 0.30 3.16 1.81 -1.26 -1.20 118.95 121.62 2k5f s ARG 62 Ca 0.39 0.56 -0.00 0.00 -1.72 0.00 0.00 55.73 54.95 2k5f s ARG 62 Cb 0.06 -2.45 0.50 0.00 -0.45 0.00 0.00 34.95 32.61 2k5f s ARG 62 CO 0.14 0.13 1.94 -0.09 -0.68 0.00 0.00 175.30 176.74 2k5f h ARG 63 N 2.03 1.03 0.00 3.54 2.43 -1.90 -0.11 114.38 121.40 2k5f h ARG 63 Ca -0.48 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.59 2k5f h ARG 63 Cb 1.18 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2k5f h ARG 63 CO 0.65 0.68 -0.23 -2.95 -1.51 0.00 0.00 179.97 176.62 2k5f h ASN 64 N 1.06 0.00 -0.14 -3.80 7.08 -1.97 -1.18 115.58 116.62 2k5f h ASN 64 Ca 0.34 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 53.39 2k5f h ASN 64 Cb 0.04 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.28 2k5f h ASN 64 CO -0.10 0.23 -0.57 -0.33 -2.08 0.00 0.00 177.43 174.58 2k5f h GLU 65 N 0.00 0.74 0.00 4.14 5.08 -1.42 -3.00 114.58 120.11 2k5f h GLU 65 Ca -0.00 -0.48 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 2k5f h GLU 65 Cb 0.44 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2k5f h GLU 65 CO 0.03 1.10 -0.29 0.00 -1.00 0.00 0.00 179.01 178.85 2k5f h ALA 66 N 0.80 1.42 -0.72 3.43 0.00 -0.56 -2.14 119.26 121.48 2k5f h ALA 66 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2k5f h ALA 66 Cb 1.15 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2k5f h ALA 66 CO 0.12 0.36 0.22 0.93 0.00 0.00 0.00 179.25 180.88 2k5f h GLU 67 N 0.00 1.12 0.00 0.00 4.39 -1.13 -2.07 114.58 116.89 2k5f h GLU 67 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2k5f h GLU 67 Cb 0.55 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2k5f h GLU 67 CO 0.04 0.96 0.00 0.78 -1.16 0.00 0.00 179.01 179.62 2k5f h GLY 68 N 1.06 0.00 -5.76 -3.84 0.00 -1.30 -3.44 103.07 89.79 2k5f h GLY 68 Ca 0.23 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.98 2k5f h GLY 68 CO -0.01 0.00 -0.16 -0.42 0.00 0.00 0.00 176.54 175.96 2k5f s ILE 69 N -3.69 5.20 -0.20 2.60 1.01 -0.90 -0.41 121.20 124.81 2k5f s ILE 69 Ca 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 60.65 61.43 2k5f s ILE 69 Cb 0.10 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2k5f s ILE 69 CO 0.46 0.31 0.12 -0.89 0.00 0.00 0.00 174.94 174.94 2k5f s THR 70 N 0.82 5.28 0.25 2.92 2.01 0.35 -0.48 115.64 126.80 2k5f s THR 70 Ca 0.24 0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.48 2k5f s THR 70 Cb -0.15 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 2k5f s THR 70 CO 0.09 0.44 -0.17 0.68 -0.69 0.00 0.00 174.62 174.97 2k5f s VAL 71 N 0.39 2.15 -0.12 3.82 -7.23 0.22 -1.70 120.40 117.94 2k5f s VAL 71 Ca 0.07 -2.32 0.01 0.00 -1.81 0.00 0.00 61.98 57.93 2k5f s VAL 71 Cb -0.11 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 2k5f s VAL 71 CO -0.01 -0.46 -0.15 -2.28 -0.31 0.00 0.00 175.10 171.89 2k5f s HIS 72 N -2.71 2.76 0.03 2.82 5.65 0.45 -4.41 115.29 119.89 2k5f s HIS 72 Ca 0.27 -0.64 -0.30 0.00 0.25 0.00 0.00 55.06 54.64 2k5f s HIS 72 Cb -0.03 -1.80 -0.06 0.00 -1.18 0.00 0.00 32.58 29.52 2k5f s HIS 72 CO 0.12 -0.19 1.38 0.42 -0.65 0.00 0.00 174.74 175.81 2k5f s ILE 73 N 0.21 3.65 -0.24 0.89 -1.09 -1.26 -0.21 121.20 123.15 2k5f s ILE 73 Ca -0.09 1.10 -0.02 0.00 -2.23 0.00 0.00 60.65 59.41 2k5f s ILE 73 Cb -0.16 -3.71 0.09 0.00 -1.58 0.00 0.00 42.46 37.11 2k5f s ILE 73 CO 0.05 0.03 2.33 0.18 -1.23 0.00 0.00 174.94 176.30 2k5f n LEU 74 N 4.89 6.10 -3.33 2.97 4.77 -0.01 -4.61 117.00 127.78 2k5f n LEU 74 Ca 0.12 -3.24 -0.11 0.00 -0.03 0.00 0.00 56.01 52.75 2k5f n LEU 74 Cb 0.44 -1.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.31 2k5f n LEU 74 CO 0.58 1.33 -0.09 0.00 -1.33 0.00 0.00 177.39 177.88 2k5f s ALA 75 N -1.11 -1.03 -1.39 -1.18 0.00 -1.26 -4.97 121.76 110.82 2k5f s ALA 75 Ca 0.33 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.38 2k5f s ALA 75 Cb 0.23 -1.96 0.08 0.00 0.00 0.00 0.00 23.12 21.47 2k5f s ALA 75 CO -0.04 -1.66 2.05 0.41 0.00 0.00 0.00 175.76 176.51 2k5f n GLY 76 N 5.35 4.26 3.99 0.00 0.00 -1.26 -4.94 105.19 112.58 2k5f n GLY 76 Ca -0.01 -1.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 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 2.70 4.60 0.03 1.61 1.01 -1.26 -5.13 116.67 120.22 2k5f s ASP 77 Ca 0.46 -0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.46 2k5f s ASP 77 Cb 0.11 -0.25 0.00 0.00 1.01 0.00 0.00 42.92 43.79 2k5f s ASP 77 CO -0.04 -1.67 0.00 -0.62 0.21 0.00 0.00 175.17 173.04 2k5f n GLU 78 N -2.71 1.97 -0.88 8.23 1.02 -1.26 -4.53 120.64 122.47 2k5f n GLU 78 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2k5f n GLU 78 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2k5f n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k5f n GLY 79 N 5.00 0.64 2.42 0.62 0.00 -1.26 -4.65 105.19 107.96 2k5f n GLY 79 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 2k5f n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k5f n HIS 80 N -0.60 -2.06 1.19 1.61 -0.00 -1.26 -4.97 115.22 109.12 2k5f n HIS 80 Ca 0.00 0.81 0.13 0.00 0.46 0.00 0.00 57.72 59.12 2k5f n HIS 80 Cb 0.20 -3.15 0.49 0.00 -0.12 0.00 0.00 29.99 27.41 2k5f n HIS 80 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2k5f n PRO 81 N -0.91 0.36 -4.69 1.57 -0.04 -1.26 -4.80 135.00 125.22 2k5f n PRO 81 Ca 0.04 -0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 2k5f n PRO 81 Cb 0.39 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 2k5f n PRO 81 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2k5f s HIS 82 N -2.74 2.86 0.00 0.54 3.76 -1.26 -5.07 115.29 113.38 2k5f s HIS 82 Ca 0.20 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 2k5f s HIS 82 Cb 0.19 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 32.02 2k5f s HIS 82 CO 0.55 -0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 2k5f n GLY 83 N 3.43 1.08 3.80 -2.22 0.00 -1.26 -5.09 105.19 104.93 2k5f n GLY 83 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 2k5f n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k5f s TRP 84 N 2.27 3.51 -1.02 1.61 0.52 -1.26 -4.96 118.94 119.61 2k5f s TRP 84 Ca 0.00 1.68 -0.23 0.00 0.02 0.00 0.00 56.10 57.57 2k5f s TRP 84 Cb 0.00 -2.88 -0.00 0.00 -1.15 0.00 0.00 33.47 29.44 2k5f s TRP 84 CO 0.00 0.07 1.74 -1.25 0.02 0.00 0.00 176.95 177.53 2k5f s PRO 85 N -2.58 3.09 0.00 4.98 0.04 -1.26 -4.41 135.00 134.86 2k5f s PRO 85 Ca 0.55 -0.88 0.02 0.00 0.04 0.00 0.00 61.00 60.74 2k5f s PRO 85 Cb -0.14 -5.25 0.04 0.00 0.04 0.00 0.00 34.50 29.20 2k5f s PRO 85 CO 0.19 -2.90 0.79 0.41 0.04 0.00 0.00 177.00 175.54 2k5f n GLY 86 N 6.59 0.77 0.03 0.56 0.00 -1.25 -4.80 105.19 107.09 2k5f n GLY 86 Ca 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.30 2k5f n GLY 86 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k5f n PHE 87 N 0.05 0.00 -0.09 1.61 3.72 -1.26 -4.64 117.46 116.85 2k5f n PHE 87 Ca -0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.21 2k5f n PHE 87 Cb 0.65 -0.26 -0.12 0.00 -0.94 0.00 0.00 39.48 38.81 2k5f n PHE 87 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2k5f n ARG 88 N -2.20 1.03 -3.72 -1.08 5.12 -1.26 -4.91 116.66 109.64 2k5f n ARG 88 Ca -0.09 0.04 -0.24 0.00 -1.93 0.00 0.00 57.85 55.63 2k5f n ARG 88 Cb 0.67 -1.43 -0.17 0.00 -1.16 0.00 0.00 32.46 30.37 2k5f n ARG 88 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2k5f s ARG 89 N -2.41 0.42 -0.22 5.56 3.52 -1.26 -5.11 118.95 119.44 2k5f s ARG 89 Ca -0.15 0.03 -0.02 0.00 -0.13 0.00 0.00 55.73 55.45 2k5f s ARG 89 Cb 0.06 -1.23 0.07 0.00 -1.56 0.00 0.00 34.95 32.29 2k5f s ARG 89 CO 0.62 -0.42 0.05 0.50 -0.81 0.00 0.00 175.30 175.23 2k5f s ARG 90 N 2.01 0.69 -0.07 5.12 3.52 -1.26 -3.90 118.95 125.06 2k5f s ARG 90 Ca 0.03 -0.59 -0.03 0.00 -0.13 0.00 0.00 55.73 55.02 2k5f s ARG 90 Cb -0.14 -2.06 0.04 0.00 -1.56 0.00 0.00 34.95 31.23 2k5f s ARG 90 CO -0.06 -0.73 0.06 -1.58 -0.81 0.00 0.00 175.30 172.19 2k5f s HIS 91 N 1.80 0.10 -0.17 5.12 2.46 -1.26 -5.12 115.29 118.22 2k5f s HIS 91 Ca 0.01 0.13 -0.13 0.00 0.47 0.00 0.00 55.06 55.55 2k5f s HIS 91 Cb -0.17 -0.53 0.05 0.00 -0.13 0.00 0.00 32.58 31.80 2k5f s HIS 91 CO -0.13 -0.26 0.43 0.50 -2.47 0.00 0.00 174.74 172.82 2k5f s ARG 92 N 2.16 0.47 -0.09 2.88 3.52 -1.26 -5.12 118.95 121.51 2k5f s ARG 92 Ca 0.04 0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 56.06 2k5f s ARG 92 Cb -0.13 0.13 -0.06 0.00 -1.56 0.00 0.00 34.95 33.33 2k5f s ARG 92 CO -0.04 -0.11 1.95 0.12 -0.81 0.00 0.00 175.30 176.41 2k5f s PHE 93 N 0.78 1.46 0.00 5.12 5.36 -1.26 -4.85 117.98 124.58 2k5f s PHE 93 Ca -0.04 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2k5f s PHE 93 Cb -0.05 -4.08 0.00 0.00 -0.34 0.00 0.00 43.02 38.54 2k5f s PHE 93 CO -0.06 -4.54 0.00 0.41 -1.46 0.00 0.00 175.22 169.57 2k5f n GLY 94 N 4.86 0.90 0.70 13.12 0.00 -1.26 -5.17 105.19 118.34 2k5f n GLY 94 Ca 0.22 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.62 2k5f n GLY 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k5f n LYS 95 N 0.00 -1.68 -1.99 1.61 4.81 -1.26 -4.53 118.16 115.12 2k5f n LYS 95 Ca 0.00 1.36 -0.32 0.00 -0.87 0.00 0.00 58.31 58.48 2k5f n LYS 95 Cb 0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 35.03 33.15 2k5f n LYS 95 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2k5f s ARG 96 N -3.90 2.51 0.21 1.64 6.06 -1.26 -4.84 118.95 119.38 2k5f s ARG 96 Ca 0.00 0.25 -0.09 0.00 -2.50 0.00 0.00 55.73 53.39 2k5f s ARG 96 Cb 0.00 -4.72 0.25 0.00 0.06 0.00 0.00 34.95 30.55 2k5f s ARG 96 CO 0.00 -3.13 1.81 0.00 -2.50 0.00 0.00 175.30 171.48 2k5f h ALA 97 N 13.48 0.92 -0.74 6.12 0.00 -2.03 -3.29 119.26 133.73 2k5f h ALA 97 Ca -0.09 0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.28 2k5f h ALA 97 Cb 1.09 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2k5f h ALA 97 CO 1.20 0.06 1.78 -0.48 0.00 0.00 0.00 179.25 181.81 2k5f s LEU 98 N -10.26 3.55 -1.32 0.00 2.34 -1.26 -4.88 118.68 106.86 2k5f s LEU 98 Ca -0.13 -2.12 -0.17 0.00 0.06 0.00 0.00 54.13 51.77 2k5f s LEU 98 Cb 0.16 -2.58 0.07 0.00 -0.56 0.00 0.00 46.19 43.28 2k5f s LEU 98 CO 0.76 -1.85 1.80 1.21 -1.06 0.00 0.00 176.35 177.21 2k5f n GLU 99 N 8.39 3.16 0.00 1.48 2.13 -1.24 -3.39 120.64 131.17 2k5f n GLU 99 Ca 0.47 -3.21 0.00 0.00 0.66 0.00 0.00 57.16 55.08 2k5f n GLU 99 Cb 0.46 -3.45 0.00 0.00 0.27 0.00 0.00 31.44 28.73 2k5f n GLU 99 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2k5f n HIS 100 N 7.92 -0.09 -2.93 4.31 -0.00 -1.26 -5.09 115.22 118.07 2k5f n HIS 100 Ca 0.49 0.00 -0.44 0.00 0.46 0.00 0.00 57.72 58.23 2k5f n HIS 100 Cb 0.45 0.02 -0.04 0.00 -0.12 0.00 0.00 29.99 30.30 2k5f n HIS 100 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5f s HIS 101 N -1.41 2.84 -0.03 1.57 3.76 -1.22 -4.68 115.29 116.12 2k5f s HIS 101 Ca 0.00 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.12 2k5f s HIS 101 Cb 0.00 -4.22 -0.04 0.00 1.11 0.00 0.00 32.58 29.43 2k5f s HIS 101 CO 0.00 -1.54 0.02 1.58 -0.85 0.00 0.00 174.74 173.95 2k5f n HIS 102 N 7.15 0.00 0.92 1.40 -0.00 -1.26 -4.68 115.22 118.75 2k5f n HIS 102 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2k5f n HIS 102 Cb 0.45 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.99 30.29 2k5f n HIS 102 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5f n HIS 103 N -2.04 0.00 -4.59 1.57 8.25 -1.26 -4.92 115.22 112.23 2k5f n HIS 103 Ca -0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.09 2k5f n HIS 103 Cb 0.53 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.50 2k5f n HIS 103 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5f s HIS 104 N -2.41 2.88 0.00 4.41 3.76 -1.26 -5.31 115.29 117.36 2k5f s HIS 104 Ca 0.15 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 2k5f s HIS 104 Cb 0.16 -1.90 0.00 0.00 1.11 0.00 0.00 32.58 31.95 2k5f s HIS 104 CO 0.57 -0.21 0.00 1.58 -0.85 0.00 0.00 174.74 175.83