#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 3.57 0.36 2.12 -0.14 -1.26 -1.28 119.74 123.10 2k5f s LYS 2 Ca 0.00 -0.06 0.08 0.00 -1.36 0.00 0.00 55.97 54.64 2k5f s LYS 2 Cb 0.00 -2.59 0.68 0.00 -1.68 0.00 0.00 37.83 34.24 2k5f s LYS 2 CO 0.00 0.10 1.85 1.25 -0.76 0.00 0.00 175.35 177.79 2k5f h LEU 3 N 1.05 0.24 -0.20 3.17 5.85 -0.03 -1.58 115.31 123.80 2k5f h LEU 3 Ca -0.48 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2k5f h LEU 3 Cb 1.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2k5f h LEU 3 CO 0.63 0.46 0.00 -0.24 -0.34 0.00 0.00 178.44 178.96 2k5f n SER 4 N -4.20 0.39 -0.94 1.25 2.88 -0.83 -2.74 113.62 109.43 2k5f n SER 4 Ca -0.01 0.57 0.12 0.00 -1.33 0.00 0.00 58.87 58.22 2k5f n SER 4 Cb 0.33 -0.66 0.13 0.00 -0.75 0.00 0.00 64.21 63.26 2k5f n SER 4 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2k5f n GLU 5 N -1.90 2.30 -1.87 -1.46 2.13 -0.61 -4.93 120.64 114.30 2k5f n GLU 5 Ca 0.04 -1.89 -0.29 0.00 0.66 0.00 0.00 57.16 55.68 2k5f n GLU 5 Cb 0.29 -1.46 0.12 0.00 0.27 0.00 0.00 31.44 30.65 2k5f n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k5f s LEU 6 N -1.97 2.49 0.26 4.31 1.43 -1.11 -4.86 118.68 119.23 2k5f s LEU 6 Ca 0.29 0.67 0.10 0.00 -1.03 0.00 0.00 54.13 54.17 2k5f s LEU 6 Cb 0.20 -3.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 2k5f s LEU 6 CO 0.30 -2.19 -0.08 -0.54 0.23 0.00 0.00 176.35 174.07 2k5f s LYS 7 N -5.63 2.06 -0.50 1.70 -0.14 -1.26 -5.03 119.74 110.94 2k5f s LYS 7 Ca 0.65 -1.51 -0.27 0.00 -1.36 0.00 0.00 55.97 53.48 2k5f s LYS 7 Cb -0.10 -2.03 -0.04 0.00 -1.68 0.00 0.00 37.83 33.98 2k5f s LYS 7 CO 0.50 0.36 2.08 0.00 -0.76 0.00 0.00 175.35 177.54 2k5f s ALA 8 N -2.29 2.11 0.00 5.17 0.00 -1.26 -0.84 121.76 124.64 2k5f s ALA 8 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2k5f s ALA 8 Cb -0.06 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2k5f s ALA 8 CO 0.18 -3.85 0.00 0.41 0.00 0.00 0.00 175.76 172.49 2k5f n GLY 9 N 5.78 1.44 3.82 0.00 0.00 -0.15 -5.01 105.19 111.06 2k5f n GLY 9 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.56 7.03 -0.07 1.61 1.01 -0.02 -4.86 116.67 119.80 2k5f s ASP 10 Ca 0.00 1.50 0.01 0.00 0.71 0.00 0.00 52.55 54.77 2k5f s ASP 10 Cb 0.00 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.49 2k5f s ASP 10 CO 0.00 -0.09 -0.09 -0.60 0.21 0.00 0.00 175.17 174.59 2k5f s ARG 11 N -2.39 1.46 0.18 8.23 3.52 -1.26 -0.83 118.95 127.86 2k5f s ARG 11 Ca 0.49 -0.31 -0.10 0.00 -0.13 0.00 0.00 55.73 55.69 2k5f s ARG 11 Cb -0.14 -1.30 -0.00 0.00 -1.56 0.00 0.00 34.95 31.94 2k5f s ARG 11 CO 0.20 -0.06 0.33 0.00 -0.81 0.00 0.00 175.30 174.96 2k5f s ALA 12 N 0.93 -0.10 0.02 6.12 0.00 -0.35 -1.61 121.76 126.77 2k5f s ALA 12 Ca -0.10 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.05 2k5f s ALA 12 Cb -0.15 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2k5f s ALA 12 CO 0.01 -0.68 0.01 -1.83 0.00 0.00 0.00 175.76 173.26 2k5f s GLU 13 N -3.97 2.76 -0.25 0.00 -1.05 0.17 -0.29 118.70 116.07 2k5f s GLU 13 Ca 0.17 -0.65 -0.28 0.00 -0.15 0.00 0.00 54.97 54.06 2k5f s GLU 13 Cb 0.03 -2.65 0.01 0.00 -0.44 0.00 0.00 34.13 31.07 2k5f s GLU 13 CO 0.01 0.61 1.00 0.08 0.95 0.00 0.00 175.26 177.91 2k5f s VAL 14 N -1.14 4.68 -0.08 1.83 1.01 0.49 -0.27 120.40 126.92 2k5f s VAL 14 Ca 0.21 1.87 0.12 0.00 0.00 0.00 0.00 61.98 64.18 2k5f s VAL 14 Cb -0.12 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.74 2k5f s VAL 14 CO 0.12 -0.21 0.52 0.35 0.00 0.00 0.00 175.10 175.88 2k5f n THR 15 N 5.40 1.58 -3.69 3.92 -2.24 0.04 -0.00 114.28 119.29 2k5f n THR 15 Ca 0.11 -0.79 -0.12 0.00 -2.27 0.00 0.00 64.05 60.97 2k5f n THR 15 Cb 0.47 -1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 67.60 2k5f n THR 15 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k5f s SER 16 N -6.07 -0.59 -0.34 3.42 0.01 -0.97 -4.79 113.70 104.36 2k5f s SER 16 Ca -0.08 1.08 -0.05 0.00 1.31 0.00 0.00 55.95 58.21 2k5f s SER 16 Cb 0.08 1.05 0.05 0.00 0.21 0.00 0.00 66.02 67.40 2k5f s SER 16 CO 0.82 -0.19 0.09 -0.69 0.41 0.00 0.00 173.24 173.68 2k5f s VAL 17 N 0.68 3.55 -0.27 3.43 1.01 -1.26 0.46 120.40 127.99 2k5f s VAL 17 Ca -0.03 -1.30 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 2k5f s VAL 17 Cb -0.05 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2k5f s VAL 17 CO -0.05 -0.23 0.09 0.00 0.00 0.00 0.00 175.10 174.92 2k5f s ALA 18 N 1.34 3.16 0.23 5.51 0.00 -0.83 -4.91 121.76 126.26 2k5f s ALA 18 Ca -0.01 -1.27 -0.22 0.00 0.00 0.00 0.00 51.96 50.46 2k5f s ALA 18 Cb -0.20 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 20.81 2k5f s ALA 18 CO 0.01 -0.69 0.88 0.00 0.00 0.00 0.00 175.76 175.96 2k5f s ALA 19 N 1.59 -1.38 0.39 0.00 0.00 -1.26 -3.45 121.76 117.64 2k5f s ALA 19 Ca 0.05 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 2k5f s ALA 19 Cb -0.16 0.72 -0.10 0.00 0.00 0.00 0.00 23.12 23.58 2k5f s ALA 19 CO 0.04 -1.04 1.45 -2.00 0.00 0.00 0.00 175.76 174.21 2k5f s GLU 20 N -3.18 4.02 0.31 0.00 -6.30 -1.26 -4.68 118.70 107.61 2k5f s GLU 20 Ca 0.14 2.49 0.08 0.00 -2.50 0.00 0.00 54.97 55.18 2k5f s GLU 20 Cb -0.03 -2.89 0.83 0.00 0.00 0.00 0.00 34.13 32.03 2k5f s GLU 20 CO 0.05 -0.58 1.74 -1.00 0.02 0.00 0.00 175.26 175.50 2k5f h PRO 21 N 2.85 0.62 -0.37 4.30 0.13 -2.00 0.78 132.00 138.30 2k5f h PRO 21 Ca -0.51 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 2k5f h PRO 21 Cb 1.24 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2k5f h PRO 21 CO 0.63 0.41 -0.07 0.00 -0.23 0.00 0.00 178.00 178.74 2k5f h ALA 22 N 1.70 0.50 -0.40 -0.56 0.00 -2.00 -1.74 119.26 116.76 2k5f h ALA 22 Ca 0.62 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 2k5f h ALA 22 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k5f h ALA 22 CO -0.45 0.34 -0.34 0.28 0.00 0.00 0.00 179.25 179.08 2k5f h VAL 23 N 0.49 1.27 -0.38 0.00 2.07 -1.46 -2.93 116.25 115.32 2k5f h VAL 23 Ca 0.10 -1.51 0.04 0.00 0.82 0.00 0.00 66.70 66.14 2k5f h VAL 23 Cb 0.57 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2k5f h VAL 23 CO 0.03 0.51 0.16 -0.09 0.02 0.00 0.00 177.57 178.20 2k5f h ARG 24 N 0.76 0.33 -0.69 1.57 2.43 0.60 0.21 114.38 119.58 2k5f h ARG 24 Ca 0.07 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2k5f h ARG 24 Cb 0.93 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 2k5f h ARG 24 CO 0.09 0.22 0.42 -0.09 -1.51 0.00 0.00 179.97 179.10 2k5f h ARG 25 N 0.34 0.78 -0.54 0.20 9.65 -1.30 0.32 114.38 123.82 2k5f h ARG 25 Ca 0.17 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.92 2k5f h ARG 25 Cb 0.11 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 2k5f h ARG 25 CO -0.15 0.52 -0.01 0.00 2.80 0.00 0.00 179.97 183.13 2k5f h ARG 26 N 0.81 0.93 -0.23 0.20 3.08 -1.14 -1.05 114.38 116.97 2k5f h ARG 26 Ca 0.29 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2k5f h ARG 26 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 2k5f h ARG 26 CO -0.13 0.93 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.40 2k5f h LEU 27 N 0.86 0.60 -1.50 3.04 3.38 0.16 -2.17 115.31 119.68 2k5f h LEU 27 Ca 0.16 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2k5f h LEU 27 Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2k5f h LEU 27 CO 0.03 0.95 0.05 0.24 0.09 0.00 0.00 178.44 179.80 2k5f h MET 28 N 0.26 0.37 -0.13 1.13 2.86 -0.30 0.66 114.93 119.78 2k5f h MET 28 Ca 0.04 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2k5f h MET 28 Cb 0.78 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2k5f h MET 28 CO 0.06 0.36 -0.20 0.22 1.06 0.00 0.00 176.91 178.41 2k5f h ASP 29 N 0.37 0.22 -0.29 1.22 3.58 -1.00 -1.96 116.42 118.55 2k5f h ASP 29 Ca 0.09 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2k5f h ASP 29 Cb 0.17 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2k5f h ASP 29 CO -0.00 0.43 0.00 0.18 -2.88 0.00 0.00 179.24 176.97 2k5f n LEU 30 N -4.21 2.61 -0.00 2.28 4.77 -0.12 -4.86 117.00 117.46 2k5f n LEU 30 Ca -0.01 -1.32 -0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2k5f n LEU 30 Cb 0.32 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2k5f n LEU 30 CO 0.39 0.43 -0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2k5f n GLY 31 N 0.60 0.47 3.47 -0.72 0.00 -0.74 -4.89 105.19 103.38 2k5f n GLY 31 Ca 0.12 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.01 4.81 0.00 0.99 0.20 0.04 -4.73 118.68 119.98 2k5f s LEU 32 Ca 0.00 -2.15 0.02 0.00 0.69 0.00 0.00 54.13 52.69 2k5f s LEU 32 Cb 0.00 -2.43 -0.01 0.00 -0.43 0.00 0.00 46.19 43.32 2k5f s LEU 32 CO 0.00 -1.07 0.07 1.33 -0.29 0.00 0.00 176.35 176.39 2k5f n VAL 33 N 5.56 0.00 -2.16 1.68 0.24 -1.26 -3.78 118.33 118.60 2k5f n VAL 33 Ca 0.28 -0.98 -0.43 0.00 -2.04 0.00 0.00 64.34 61.18 2k5f n VAL 33 Cb 0.48 0.38 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.62 4.05 0.00 7.34 3.52 -1.26 -1.67 118.95 128.32 2k5f s ARG 34 Ca 0.10 1.85 0.00 0.00 -0.13 0.00 0.00 55.73 57.55 2k5f s ARG 34 Cb 0.00 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 2k5f s ARG 34 CO 0.07 -0.97 0.00 0.41 -0.81 0.00 0.00 175.30 174.00 2k5f n GLY 35 N 4.19 0.39 3.66 8.12 0.00 0.99 -5.00 105.19 117.54 2k5f n GLY 35 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 3.63 -0.26 4.61 0.00 -0.67 -4.75 121.76 122.33 2k5f s ALA 36 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.50 2k5f s ALA 36 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 2k5f s ALA 36 CO 0.00 -1.30 0.22 0.15 0.00 0.00 0.00 175.76 174.83 2k5f s LYS 37 N 3.77 4.03 0.09 0.00 1.02 -1.26 -0.38 119.74 127.01 2k5f s LYS 37 Ca 0.63 -0.20 0.03 0.00 0.02 0.00 0.00 55.97 56.45 2k5f s LYS 37 Cb -0.27 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.41 2k5f s LYS 37 CO 0.21 -0.09 -0.09 -0.48 -0.92 0.00 0.00 175.35 173.98 2k5f s LEU 38 N 1.49 2.40 -0.15 3.17 2.34 0.60 -3.08 118.68 125.44 2k5f s LEU 38 Ca 0.09 -0.80 -0.01 0.00 0.06 0.00 0.00 54.13 53.48 2k5f s LEU 38 Cb -0.15 -0.26 -0.01 0.00 -0.56 0.00 0.00 46.19 45.21 2k5f s LEU 38 CO 0.08 -0.28 -0.12 -0.75 -1.06 0.00 0.00 176.35 174.22 2k5f s LYS 39 N -2.74 3.35 -0.41 1.48 2.20 0.02 -1.22 119.74 122.43 2k5f s LYS 39 Ca 0.04 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.67 2k5f s LYS 39 Cb -0.03 -2.69 0.01 0.00 -1.51 0.00 0.00 37.83 33.61 2k5f s LYS 39 CO -0.01 0.11 1.37 0.08 -0.36 0.00 0.00 175.35 176.54 2k5f s VAL 40 N 0.62 3.97 -0.08 4.02 1.01 -0.01 -0.38 120.40 129.54 2k5f s VAL 40 Ca -0.07 1.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.91 2k5f s VAL 40 Cb -0.15 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 31.98 2k5f s VAL 40 CO 0.03 -0.75 0.01 -0.07 0.00 0.00 0.00 175.10 174.31 2k5f h LEU 41 N 11.92 -0.00 -7.26 3.92 3.38 -1.38 -0.38 115.31 125.50 2k5f h LEU 41 Ca -0.27 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2k5f h LEU 41 Cb 1.10 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.65 2k5f h LEU 41 CO 1.08 0.40 -0.05 -0.13 0.09 0.00 0.00 178.44 179.83 2k5f s ARG 42 N -1.45 0.86 0.04 1.13 0.52 -1.06 -4.32 118.95 114.67 2k5f s ARG 42 Ca -0.00 0.03 -0.00 0.00 -0.52 0.00 0.00 55.73 55.23 2k5f s ARG 42 Cb 0.00 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.83 2k5f s ARG 42 CO 0.00 -0.26 0.17 -0.06 0.02 0.00 0.00 175.30 175.18 2k5f s PHE 43 N -1.27 3.46 0.90 -0.53 0.40 -1.26 -0.49 117.98 119.18 2k5f s PHE 43 Ca -0.12 0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.35 2k5f s PHE 43 Cb -0.03 -1.76 0.14 0.00 0.51 0.00 0.00 43.02 41.88 2k5f s PHE 43 CO 0.07 0.59 1.12 0.00 0.70 0.00 0.00 175.22 177.70 2k5f s ALA 44 N -1.40 1.49 -2.00 5.36 0.00 -0.18 -4.83 121.76 120.20 2k5f s ALA 44 Ca 0.31 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.67 2k5f s ALA 44 Cb -0.13 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.67 2k5f s ALA 44 CO 0.23 -2.59 0.29 -0.35 0.00 0.00 0.00 175.76 173.33 2k5f n PRO 45 N -4.10 0.05 -0.07 0.00 -0.04 -1.26 -0.74 135.00 128.84 2k5f n PRO 45 Ca 0.10 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 2k5f n PRO 45 Cb 0.53 -1.22 0.01 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.72 0.86 0.00 1.53 4.77 -1.26 -4.98 117.00 117.20 2k5f n LEU 46 Ca 0.01 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 2k5f n LEU 46 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2k5f n LEU 46 CO 0.00 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2k5f n GLY 47 N -0.29 2.58 3.19 -0.72 0.00 0.08 -4.95 105.19 105.07 2k5f n GLY 47 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.46 -0.33 0.94 1.61 2.15 -1.26 -4.63 116.67 112.69 2k5f s ASP 48 Ca 0.00 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.62 2k5f s ASP 48 Cb 0.00 0.62 0.00 0.00 -0.30 0.00 0.00 42.92 43.24 2k5f s ASP 48 CO 0.00 -0.12 0.00 -2.65 -0.17 0.00 0.00 175.17 172.23 2k5f n PRO 49 N 3.16 0.06 -5.21 4.34 -0.02 -1.26 -4.58 135.00 131.50 2k5f n PRO 49 Ca -0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.03 2k5f n PRO 49 Cb 0.57 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.89 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 -0.89 1.92 -0.32 4.25 1.01 0.50 -1.01 121.20 126.66 2k5f s ILE 50 Ca 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 2k5f s ILE 50 Cb 0.00 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.88 2k5f s ILE 50 CO 0.00 0.54 0.14 -1.61 0.00 0.00 0.00 174.94 174.01 2k5f s GLU 51 N -0.47 3.13 0.04 2.79 2.02 0.36 -1.13 118.70 125.43 2k5f s GLU 51 Ca 0.07 -0.85 0.09 0.00 0.02 0.00 0.00 54.97 54.29 2k5f s GLU 51 Cb -0.10 -3.54 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 2k5f s GLU 51 CO 0.00 -0.49 -0.25 0.14 0.02 0.00 0.00 175.26 174.67 2k5f s VAL 52 N 1.56 2.06 -0.51 2.63 -7.23 -0.60 -1.00 120.40 117.31 2k5f s VAL 52 Ca 0.03 -1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 2k5f s VAL 52 Cb -0.18 -1.76 0.12 0.00 0.56 0.00 0.00 36.38 35.12 2k5f s VAL 52 CO 0.05 0.35 0.44 0.21 -0.31 0.00 0.00 175.10 175.84 2k5f s ASN 53 N -1.21 6.05 -0.23 4.85 2.47 0.48 -0.91 114.94 126.45 2k5f s ASN 53 Ca 0.11 -1.75 -0.04 0.00 0.42 0.00 0.00 52.86 51.60 2k5f s ASN 53 Cb -0.10 -2.15 -0.00 0.00 -1.45 0.00 0.00 41.25 37.55 2k5f s ASN 53 CO 0.02 -0.78 -0.04 0.00 -3.72 0.00 0.00 177.10 172.58 2k5f n ASN 55 N 4.79 -5.59 0.00 0.00 3.02 -1.18 -1.20 115.26 115.10 2k5f n ASN 55 Ca -0.18 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2k5f n ASN 55 Cb 0.50 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.96 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 -0.86 0.66 3.16 7.41 0.00 -1.26 -5.06 105.19 109.24 2k5f n GLY 56 Ca -0.23 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.88 2.33 -0.55 1.61 -1.94 -0.34 -5.09 119.30 114.43 2k5f s MET 57 Ca 0.00 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.09 2k5f s MET 57 Cb 0.00 -1.88 0.09 0.00 2.01 0.00 0.00 34.83 35.05 2k5f s MET 57 CO 0.00 0.20 0.62 -0.51 -0.01 0.00 0.00 175.02 175.32 2k5f s LEU 58 N 0.24 5.40 -0.15 -0.03 1.02 -1.26 -0.06 118.68 123.83 2k5f s LEU 58 Ca -0.11 -1.32 -0.00 0.00 0.02 0.00 0.00 54.13 52.72 2k5f s LEU 58 Cb -0.15 -2.32 -0.01 0.00 0.02 0.00 0.00 46.19 43.74 2k5f s LEU 58 CO 0.05 -0.97 -0.14 -1.48 0.02 0.00 0.00 176.35 173.83 2k5f s LEU 59 N 2.41 2.58 -0.26 1.79 2.34 -0.09 -4.95 118.68 122.50 2k5f s LEU 59 Ca 0.11 -0.42 -0.10 0.00 0.06 0.00 0.00 54.13 53.78 2k5f s LEU 59 Cb -0.24 -1.59 -0.05 0.00 -0.56 0.00 0.00 46.19 43.76 2k5f s LEU 59 CO 0.07 0.11 0.16 -0.89 -1.06 0.00 0.00 176.35 174.74 2k5f s THR 60 N 0.70 5.09 0.20 5.48 2.01 -1.26 -1.56 115.64 126.31 2k5f s THR 60 Ca -0.07 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 2k5f s THR 60 Cb -0.15 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 2k5f s THR 60 CO 0.02 0.29 0.12 0.00 -0.69 0.00 0.00 174.62 174.37 2k5f s MET 61 N 1.56 1.22 0.42 4.92 0.23 -0.29 -4.94 119.30 122.42 2k5f s MET 61 Ca 0.07 -1.64 -0.23 0.00 -1.03 0.00 0.00 55.69 52.86 2k5f s MET 61 Cb -0.15 0.21 -0.09 0.00 -1.53 0.00 0.00 34.83 33.27 2k5f s MET 61 CO 0.08 -0.38 1.04 1.03 -2.03 0.00 0.00 175.02 174.77 2k5f s ARG 62 N -4.14 4.08 0.40 3.16 1.81 -1.26 -0.37 118.95 122.63 2k5f s ARG 62 Ca 0.39 1.47 0.12 0.00 -1.72 0.00 0.00 55.73 55.99 2k5f s ARG 62 Cb 0.07 -2.43 0.83 0.00 -0.45 0.00 0.00 34.95 32.97 2k5f s ARG 62 CO 0.12 -0.20 1.91 -0.09 -0.68 0.00 0.00 175.30 176.35 2k5f h ARG 63 N 2.27 0.07 -0.94 3.54 2.43 -1.90 -2.94 114.38 116.90 2k5f h ARG 63 Ca -0.49 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 2k5f h ARG 63 Cb 1.22 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.71 2k5f h ARG 63 CO 0.61 0.31 0.63 -2.95 -1.51 0.00 0.00 179.97 177.06 2k5f h ASN 64 N 0.06 1.08 0.70 -3.80 -1.07 -1.96 -1.56 115.58 109.03 2k5f h ASN 64 Ca 0.01 -0.03 -0.18 0.00 0.07 0.00 0.00 56.30 56.18 2k5f h ASN 64 Cb 0.47 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 36.43 2k5f h ASN 64 CO 0.03 0.79 -0.81 -0.33 0.07 0.00 0.00 177.43 177.18 2k5f h GLU 65 N 1.28 0.08 0.00 4.14 4.39 -1.88 -3.05 114.58 119.54 2k5f h GLU 65 Ca 0.35 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2k5f h GLU 65 Cb -0.15 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2k5f h GLU 65 CO -0.07 0.84 -0.06 0.00 -1.16 0.00 0.00 179.01 178.56 2k5f h ALA 66 N 1.13 1.58 -0.39 3.43 0.00 -1.17 -2.53 119.26 121.31 2k5f h ALA 66 Ca -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2k5f h ALA 66 Cb 1.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2k5f h ALA 66 CO 0.11 0.07 0.11 0.93 0.00 0.00 0.00 179.25 180.47 2k5f h GLU 67 N 0.00 0.61 0.00 0.00 4.39 -1.20 -2.13 114.58 116.24 2k5f h GLU 67 Ca -0.00 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2k5f h GLU 67 Cb 0.13 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2k5f h GLU 67 CO 0.01 0.63 -0.20 0.78 -1.16 0.00 0.00 179.01 179.07 2k5f h GLY 68 N 0.48 0.00 -5.96 -3.84 0.00 -1.52 -3.42 103.07 88.81 2k5f h GLY 68 Ca 0.12 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.89 2k5f h GLY 68 CO -0.00 0.00 0.99 -0.42 0.00 0.00 0.00 176.54 177.11 2k5f s ILE 69 N -4.18 4.07 -0.11 2.60 1.01 -1.07 -1.97 121.20 121.55 2k5f s ILE 69 Ca -0.03 1.21 -0.15 0.00 0.00 0.00 0.00 60.65 61.69 2k5f s ILE 69 Cb 0.13 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2k5f s ILE 69 CO 0.64 -0.44 0.35 -0.89 0.00 0.00 0.00 174.94 174.60 2k5f s THR 70 N 4.50 5.22 0.28 2.92 2.01 0.17 0.07 115.64 130.82 2k5f s THR 70 Ca 0.59 0.69 0.04 0.00 0.31 0.00 0.00 61.69 63.32 2k5f s THR 70 Cb -0.18 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 2k5f s THR 70 CO 0.24 0.44 0.02 0.68 -0.69 0.00 0.00 174.62 175.32 2k5f s VAL 71 N -0.01 1.17 -0.08 3.82 -7.23 -0.41 -0.78 120.40 116.87 2k5f s VAL 71 Ca 0.20 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2k5f s VAL 71 Cb -0.14 -2.59 0.03 0.00 0.56 0.00 0.00 36.38 34.23 2k5f s VAL 71 CO 0.08 -0.15 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.42 2k5f s HIS 72 N -3.32 0.94 0.08 2.82 2.46 0.62 -4.52 115.29 114.37 2k5f s HIS 72 Ca 0.33 -0.36 -0.31 0.00 0.47 0.00 0.00 55.06 55.19 2k5f s HIS 72 Cb 0.07 -0.94 -0.08 0.00 -0.13 0.00 0.00 32.58 31.50 2k5f s HIS 72 CO 0.13 -0.39 1.52 0.42 -2.47 0.00 0.00 174.74 173.96 2k5f s ILE 73 N 1.84 3.18 -1.08 0.89 1.01 -1.26 -0.65 121.20 125.13 2k5f s ILE 73 Ca 0.04 0.71 -0.03 0.00 0.00 0.00 0.00 60.65 61.38 2k5f s ILE 73 Cb -0.12 -3.46 0.30 0.00 0.01 0.00 0.00 42.46 39.19 2k5f s ILE 73 CO -0.06 0.02 1.68 0.18 0.00 0.00 0.00 174.94 176.76 2k5f n LEU 74 N 4.93 6.89 -3.07 2.97 4.77 -0.63 -4.75 117.00 128.11 2k5f n LEU 74 Ca 0.14 -5.26 0.05 0.00 -0.03 0.00 0.00 56.01 50.91 2k5f n LEU 74 Cb 0.41 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 2k5f n LEU 74 CO 0.61 1.84 0.50 0.00 -1.33 0.00 0.00 177.39 179.01 2k5f s ALA 75 N -3.26 -4.08 -0.30 -1.18 0.00 -1.26 -4.92 121.76 106.76 2k5f s ALA 75 Ca 0.35 1.32 -0.14 0.00 0.00 0.00 0.00 51.96 53.50 2k5f s ALA 75 Cb 0.11 -2.87 0.15 0.00 0.00 0.00 0.00 23.12 20.52 2k5f s ALA 75 CO -0.00 -2.18 0.89 0.20 0.00 0.00 0.00 175.76 174.67 2k5f s GLY 76 N 2.73 -0.35 0.51 0.00 0.00 -1.26 -5.11 107.32 103.84 2k5f s GLY 76 Ca 0.25 2.84 -0.04 0.00 0.00 0.00 0.00 44.72 47.76 2k5f s GLY 76 CO -0.21 3.18 0.80 0.99 0.00 0.00 0.00 173.10 177.86 2k5f s ASP 77 N 2.57 5.97 -0.21 1.64 1.01 -1.26 -4.81 116.67 121.58 2k5f s ASP 77 Ca -0.04 0.74 -0.03 0.00 0.71 0.00 0.00 52.55 53.94 2k5f s ASP 77 Cb -0.08 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 41.91 2k5f s ASP 77 CO -0.18 -0.75 0.06 1.21 0.21 0.00 0.00 175.17 175.72 2k5f n GLU 78 N -2.33 -2.97 0.00 8.23 2.13 -1.26 -4.91 120.64 119.53 2k5f n GLU 78 Ca 0.02 2.43 0.00 0.00 0.66 0.00 0.00 57.16 60.27 2k5f n GLU 78 Cb 0.56 -4.30 0.00 0.00 0.27 0.00 0.00 31.44 27.98 2k5f n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k5f n GLY 79 N 0.78 1.74 2.55 8.31 0.00 -1.26 -5.04 105.19 112.28 2k5f n GLY 79 Ca -0.10 -0.11 -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 1.42 0.00 0.00 0.00 173.32 174.74 2k5f n HIS 80 N 0.00 -3.12 -2.07 1.61 8.25 -1.26 -4.96 115.22 113.68 2k5f n HIS 80 Ca 0.00 1.33 -0.37 0.00 -0.26 0.00 0.00 57.72 58.41 2k5f n HIS 80 Cb 0.00 -3.61 0.01 0.00 1.12 0.00 0.00 29.99 27.51 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 -1.80 3.46 -0.60 -0.41 0.02 -1.26 -4.97 135.00 129.44 2k5f s PRO 81 Ca 0.09 1.94 -0.22 0.00 0.02 0.00 0.00 61.00 62.84 2k5f s PRO 81 Cb -0.03 -2.30 0.07 0.00 0.02 0.00 0.00 34.50 32.26 2k5f s PRO 81 CO 0.64 -0.85 0.85 -1.01 -0.33 0.00 0.00 177.00 176.31 2k5f s HIS 82 N -1.47 2.82 0.00 6.54 3.76 -1.26 -5.03 115.29 120.65 2k5f s HIS 82 Ca 0.68 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.07 2k5f s HIS 82 Cb -0.33 -4.06 0.00 0.00 1.11 0.00 0.00 32.58 29.30 2k5f s HIS 82 CO 0.39 -1.41 0.00 0.41 -0.85 0.00 0.00 174.74 173.28 2k5f n GLY 83 N 5.25 -0.90 3.12 -2.22 0.00 -1.26 -5.12 105.19 104.07 2k5f n GLY 83 Ca -0.04 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 2k5f n GLY 83 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2k5f s TRP 84 N -0.44 -0.16 0.36 1.61 -0.00 -1.26 -5.04 118.94 114.02 2k5f s TRP 84 Ca 0.00 0.36 0.18 0.00 -0.00 0.00 0.00 56.10 56.64 2k5f s TRP 84 Cb 0.00 0.05 0.94 0.00 -0.00 0.00 0.00 33.47 34.46 2k5f s TRP 84 CO 0.00 -0.20 1.90 -1.00 -0.00 0.00 0.00 176.95 177.65 2k5f h PRO 85 N 5.14 0.00 0.00 5.86 0.13 -2.07 -3.49 132.00 137.57 2k5f h PRO 85 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k5f h PRO 85 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k5f h PRO 85 CO 0.38 0.28 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 2k5f n GLY 86 N -0.48 -1.16 3.29 1.56 0.00 -1.26 -4.96 105.19 102.17 2k5f n GLY 86 Ca -0.02 -1.40 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 2k5f n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5f s PHE 87 N 0.00 1.45 -0.10 1.61 0.08 -1.26 -5.15 117.98 114.61 2k5f s PHE 87 Ca 0.00 -0.73 0.04 0.00 0.12 0.00 0.00 56.93 56.35 2k5f s PHE 87 Cb 0.00 -0.74 0.00 0.00 -0.57 0.00 0.00 43.02 41.71 2k5f s PHE 87 CO 0.00 0.14 -0.22 0.50 -0.10 0.00 0.00 175.22 175.54 2k5f s ARG 88 N -3.74 2.89 0.25 0.44 6.06 -1.26 -5.10 118.95 118.49 2k5f s ARG 88 Ca 0.20 -0.82 -0.31 0.00 -2.50 0.00 0.00 55.73 52.31 2k5f s ARG 88 Cb 0.02 -2.23 -0.11 0.00 0.06 0.00 0.00 34.95 32.69 2k5f s ARG 88 CO 0.04 0.12 1.62 1.03 -2.50 0.00 0.00 175.30 175.61 2k5f s ARG 89 N 0.47 4.15 -0.82 5.12 0.52 -1.26 -4.91 118.95 122.23 2k5f s ARG 89 Ca -0.16 2.54 -0.24 0.00 -0.52 0.00 0.00 55.73 57.34 2k5f s ARG 89 Cb -0.17 -3.06 0.05 0.00 0.52 0.00 0.00 34.95 32.29 2k5f s ARG 89 CO 0.06 -0.65 1.25 1.03 0.02 0.00 0.00 175.30 177.02 2k5f s ARG 90 N 0.21 3.32 0.15 3.54 0.52 -1.26 -4.99 118.95 120.44 2k5f s ARG 90 Ca 0.67 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.86 2k5f s ARG 90 Cb -0.47 -4.57 -0.07 0.00 0.52 0.00 0.00 34.95 30.36 2k5f s ARG 90 CO 0.41 -2.07 1.16 -1.01 0.02 0.00 0.00 175.30 173.81 2k5f s HIS 91 N 4.94 3.50 0.40 -0.53 3.76 -1.26 -5.00 115.29 121.10 2k5f s HIS 91 Ca 0.35 1.47 -0.24 0.00 -0.15 0.00 0.00 55.06 56.49 2k5f s HIS 91 Cb -0.07 -3.36 -0.09 0.00 1.11 0.00 0.00 32.58 30.17 2k5f s HIS 91 CO 0.05 -0.96 1.10 -0.98 -0.85 0.00 0.00 174.74 173.09 2k5f s ARG 92 N 0.03 4.09 -0.21 1.40 1.70 -1.26 -5.03 118.95 119.67 2k5f s ARG 92 Ca 0.53 1.64 -0.03 0.00 -0.47 0.00 0.00 55.73 57.39 2k5f s ARG 92 Cb -0.30 -2.58 -0.01 0.00 -0.57 0.00 0.00 34.95 31.49 2k5f s ARG 92 CO 0.34 -0.23 -0.06 -0.06 -1.08 0.00 0.00 175.30 174.21 2k5f s PHE 93 N -1.56 2.94 0.08 5.89 0.08 -1.26 -5.11 117.98 119.04 2k5f s PHE 93 Ca 0.58 -0.93 0.07 0.00 0.12 0.00 0.00 56.93 56.77 2k5f s PHE 93 Cb -0.25 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2k5f s PHE 93 CO 0.32 -0.52 -0.13 0.20 -0.10 0.00 0.00 175.22 174.99 2k5f s GLY 94 N 1.34 1.72 0.19 4.36 0.00 -1.26 -5.13 107.32 108.54 2k5f s GLY 94 Ca 0.04 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.55 2k5f s GLY 94 CO -0.03 -1.18 0.34 -1.59 0.00 0.00 0.00 173.10 170.64 2k5f s LYS 95 N -1.95 3.46 0.22 2.90 -2.85 -1.26 -5.11 119.74 115.15 2k5f s LYS 95 Ca 0.19 -0.58 -0.04 0.00 -1.00 0.00 0.00 55.97 54.54 2k5f s LYS 95 Cb -0.11 -2.91 -0.05 0.00 -2.06 0.00 0.00 37.83 32.70 2k5f s LYS 95 CO 0.10 0.45 0.45 -0.98 0.10 0.00 0.00 175.35 175.48 2k5f s ARG 96 N -3.51 3.60 0.31 1.78 1.70 -1.26 -5.10 118.95 116.47 2k5f s ARG 96 Ca 0.35 -0.12 0.02 0.00 -0.47 0.00 0.00 55.73 55.52 2k5f s ARG 96 Cb -0.10 -2.76 -0.03 0.00 -0.57 0.00 0.00 34.95 31.48 2k5f s ARG 96 CO 0.29 0.35 0.48 0.00 -1.08 0.00 0.00 175.30 175.34 2k5f s ALA 97 N -1.88 3.80 0.47 7.88 0.00 -1.26 -5.10 121.76 125.67 2k5f s ALA 97 Ca 0.42 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 2k5f s ALA 97 Cb -0.11 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.98 2k5f s ALA 97 CO 0.28 0.06 0.88 -0.51 0.00 0.00 0.00 175.76 176.46 2k5f s LEU 98 N -4.20 3.69 -0.16 0.00 1.43 -1.26 -5.03 118.68 113.15 2k5f s LEU 98 Ca 0.38 1.31 -0.24 0.00 -1.03 0.00 0.00 54.13 54.55 2k5f s LEU 98 Cb -0.09 -4.23 -0.02 0.00 0.03 0.00 0.00 46.19 41.87 2k5f s LEU 98 CO 0.33 -0.52 0.78 -0.70 0.23 0.00 0.00 176.35 176.47 2k5f s GLU 99 N -4.10 4.30 0.18 1.70 2.12 -1.26 -5.05 118.70 116.59 2k5f s GLU 99 Ca 0.54 0.93 0.06 0.00 0.36 0.00 0.00 54.97 56.87 2k5f s GLU 99 Cb -0.10 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2k5f s GLU 99 CO 0.34 -0.25 0.07 -3.38 -0.54 0.00 0.00 175.26 171.50 2k5f s HIS 100 N 1.90 2.99 0.05 5.30 -3.43 -1.26 -5.03 115.29 115.81 2k5f s HIS 100 Ca 0.37 -0.08 0.00 0.00 -0.80 0.00 0.00 55.06 54.54 2k5f s HIS 100 Cb -0.17 -1.43 0.00 0.00 -1.43 0.00 0.00 32.58 29.55 2k5f s HIS 100 CO 0.13 0.52 0.00 1.58 -2.00 0.00 0.00 174.74 174.97 2k5f n HIS 101 N -0.31 -1.93 -1.48 0.38 -0.00 -1.26 -4.93 115.22 105.69 2k5f n HIS 101 Ca -0.09 0.26 -0.13 0.00 -0.00 0.00 0.00 57.72 57.76 2k5f n HIS 101 Cb 0.55 -0.36 -0.05 0.00 -0.00 0.00 0.00 29.99 30.14 2k5f n HIS 101 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5f n HIS 102 N -1.60 -0.07 -3.77 1.57 -0.00 -1.26 -4.97 115.22 105.11 2k5f n HIS 102 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 2k5f n HIS 102 Cb 0.10 -2.44 -0.12 0.00 -0.00 0.00 0.00 29.99 27.53 2k5f n HIS 102 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5f s HIS 103 N -2.51 3.45 0.00 4.41 2.46 -1.26 -5.01 115.29 116.83 2k5f s HIS 103 Ca 0.00 -2.07 0.00 0.00 0.47 0.00 0.00 55.06 53.46 2k5f s HIS 103 Cb 0.00 -2.89 0.00 0.00 -0.13 0.00 0.00 32.58 29.56 2k5f s HIS 103 CO 0.00 -0.90 0.00 0.72 -2.47 0.00 0.00 174.74 172.09 2k5f n HIS 104 N 4.68 -1.51 -0.09 3.88 8.25 -1.26 -5.27 115.22 123.90 2k5f n HIS 104 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2k5f n HIS 104 Cb 0.42 0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.76 2k5f n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70