#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 3.80 0.37 2.12 3.01 -1.26 -0.94 119.74 126.85 2k5f s LYS 2 Ca 0.00 0.58 0.10 0.00 -1.01 0.00 0.00 55.97 55.64 2k5f s LYS 2 Cb 0.00 -2.32 0.73 0.00 -1.01 0.00 0.00 37.83 35.23 2k5f s LYS 2 CO 0.00 -0.12 1.87 1.25 0.51 0.00 0.00 175.35 178.86 2k5f h LEU 3 N 1.08 0.17 -0.25 3.17 5.85 -0.43 -2.12 115.31 122.79 2k5f h LEU 3 Ca -0.47 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2k5f h LEU 3 Cb 1.19 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2k5f h LEU 3 CO 0.63 0.41 0.00 -1.54 -0.34 0.00 0.00 178.44 177.60 2k5f n SER 4 N -4.20 0.72 -0.12 1.25 3.41 -1.02 -2.72 113.62 110.94 2k5f n SER 4 Ca -0.01 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 2k5f n SER 4 Cb 0.33 -0.78 0.45 0.00 -0.26 0.00 0.00 64.21 63.94 2k5f n SER 4 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k5f n GLU 5 N -2.21 0.49 -1.37 4.33 1.02 -0.80 -4.86 120.64 117.24 2k5f n GLU 5 Ca 0.04 -0.23 -0.30 0.00 -0.02 0.00 0.00 57.16 56.65 2k5f n GLU 5 Cb 0.35 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.67 2.46 -0.11 -4.62 1.43 -1.10 -4.96 118.68 109.10 2k5f s LEU 6 Ca 0.21 1.41 0.20 0.00 -1.03 0.00 0.00 54.13 54.93 2k5f s LEU 6 Cb 0.19 -3.94 0.44 0.00 0.03 0.00 0.00 46.19 42.91 2k5f s LEU 6 CO 0.55 -2.29 1.18 2.29 0.23 0.00 0.00 176.35 178.31 2k5f n LYS 7 N -3.65 0.92 -0.68 1.70 2.85 -1.26 -5.08 118.16 112.95 2k5f n LYS 7 Ca 0.07 -2.71 0.00 0.00 -1.05 0.00 0.00 58.31 54.62 2k5f n LYS 7 Cb 0.56 -0.83 0.00 0.00 -0.65 0.00 0.00 35.03 34.11 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 -0.20 -1.98 -0.15 0.58 0.00 -1.26 -4.83 120.51 112.67 2k5f n ALA 8 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2k5f n ALA 8 Cb 0.96 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 -0.69 1.82 3.73 0.00 0.00 0.10 -4.95 105.19 105.21 2k5f n GLY 9 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.31 7.49 -0.27 1.61 1.01 -1.26 -4.83 116.67 117.11 2k5f s ASP 10 Ca 0.00 1.81 -0.10 0.00 0.71 0.00 0.00 52.55 54.97 2k5f s ASP 10 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2k5f s ASP 10 CO 0.00 -0.07 0.15 -0.13 0.21 0.00 0.00 175.17 175.33 2k5f s ARG 11 N -0.02 3.81 0.01 8.23 3.00 -1.26 -1.91 118.95 130.81 2k5f s ARG 11 Ca 0.47 -0.40 0.02 0.00 0.00 0.00 0.00 55.73 55.82 2k5f s ARG 11 Cb -0.24 -3.56 -0.01 0.00 0.00 0.00 0.00 34.95 31.15 2k5f s ARG 11 CO 0.30 -0.20 -0.08 0.00 0.00 0.00 0.00 175.30 175.32 2k5f s ALA 12 N 1.71 0.63 -0.09 2.13 0.00 -0.27 -0.92 121.76 124.95 2k5f s ALA 12 Ca 0.07 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 2k5f s ALA 12 Cb -0.16 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 2k5f s ALA 12 CO 0.08 0.11 0.49 -2.00 0.00 0.00 0.00 175.76 174.44 2k5f s GLU 13 N -0.56 4.29 -0.34 0.00 2.12 0.69 -1.27 118.70 123.62 2k5f s GLU 13 Ca -0.00 0.48 -0.29 0.00 0.36 0.00 0.00 54.97 55.52 2k5f s GLU 13 Cb -0.05 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 30.96 2k5f s GLU 13 CO 0.00 0.25 1.11 0.08 -0.54 0.00 0.00 175.26 176.16 2k5f s VAL 14 N 0.32 4.42 -0.19 3.70 1.01 0.92 -0.62 120.40 129.96 2k5f s VAL 14 Ca 0.26 1.61 0.09 0.00 0.00 0.00 0.00 61.98 63.94 2k5f s VAL 14 Cb -0.16 -4.41 -0.22 0.00 0.00 0.00 0.00 36.38 31.59 2k5f s VAL 14 CO 0.12 -0.56 0.07 0.35 0.00 0.00 0.00 175.10 175.07 2k5f n THR 15 N 6.06 1.49 -3.67 3.92 -2.24 -0.97 -1.31 114.28 117.56 2k5f n THR 15 Ca 0.12 -0.73 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 2k5f n THR 15 Cb 0.47 -0.99 -0.08 0.00 -2.10 0.00 0.00 70.33 67.63 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 -0.44 -0.20 3.42 0.01 -1.10 -4.74 113.70 104.56 2k5f s SER 16 Ca -0.19 0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.69 2k5f s SER 16 Cb 0.07 0.65 0.05 0.00 0.21 0.00 0.00 66.02 67.00 2k5f s SER 16 CO 0.74 -0.38 -0.08 -0.69 0.41 0.00 0.00 173.24 173.24 2k5f s VAL 17 N -0.67 1.50 -0.27 3.43 1.01 -1.26 -0.41 120.40 123.73 2k5f s VAL 17 Ca -0.08 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.82 2k5f s VAL 17 Cb -0.03 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2k5f s VAL 17 CO 0.04 0.07 0.11 0.00 0.00 0.00 0.00 175.10 175.33 2k5f s ALA 18 N 1.44 3.24 0.36 5.51 0.00 -0.87 -4.92 121.76 126.52 2k5f s ALA 18 Ca -0.02 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 50.59 2k5f s ALA 18 Cb -0.17 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.76 2k5f s ALA 18 CO -0.07 -0.64 0.68 0.00 0.00 0.00 0.00 175.76 175.73 2k5f s ALA 19 N 1.63 -0.36 0.39 0.00 0.00 -1.26 -3.65 121.76 118.52 2k5f s ALA 19 Ca 0.06 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 50.83 2k5f s ALA 19 Cb -0.16 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.71 2k5f s ALA 19 CO 0.05 -0.93 1.38 -2.00 0.00 0.00 0.00 175.76 174.26 2k5f s GLU 20 N -2.75 4.01 0.26 0.00 -6.30 -1.26 -4.72 118.70 107.93 2k5f s GLU 20 Ca 0.19 2.33 -0.04 0.00 -2.50 0.00 0.00 54.97 54.95 2k5f s GLU 20 Cb -0.04 -2.85 0.52 0.00 0.00 0.00 0.00 34.13 31.77 2k5f s GLU 20 CO 0.13 -0.52 1.64 -1.00 0.02 0.00 0.00 175.26 175.53 2k5f h PRO 21 N 2.81 0.13 -0.01 4.30 0.13 -2.00 0.43 132.00 137.79 2k5f h PRO 21 Ca -0.50 -0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 64.36 2k5f h PRO 21 Cb 1.25 -0.03 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2k5f h PRO 21 CO 0.63 0.09 -1.02 0.00 -0.23 0.00 0.00 178.00 177.47 2k5f h ALA 22 N 1.74 0.16 -0.28 -0.56 0.00 -2.01 -3.19 119.26 115.12 2k5f h ALA 22 Ca 0.46 -0.69 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2k5f h ALA 22 Cb 0.85 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k5f h ALA 22 CO -0.67 0.70 -0.45 0.28 0.00 0.00 0.00 179.25 179.11 2k5f h VAL 23 N 0.40 1.29 -0.33 0.00 2.07 -1.59 -2.87 116.25 115.22 2k5f h VAL 23 Ca -0.12 -1.63 0.03 0.00 0.82 0.00 0.00 66.70 65.80 2k5f h VAL 23 Cb 1.67 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 2k5f h VAL 23 CO 0.20 0.53 0.14 -0.09 0.02 0.00 0.00 177.57 178.36 2k5f h ARG 24 N 0.58 0.28 -0.14 1.57 2.43 -0.26 -2.08 114.38 116.76 2k5f h ARG 24 Ca 0.04 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2k5f h ARG 24 Cb 1.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2k5f h ARG 24 CO 0.09 0.19 -0.27 0.00 -1.51 0.00 0.00 179.97 178.47 2k5f h ARG 25 N 0.29 0.25 -0.56 0.20 3.08 -1.52 0.77 114.38 116.89 2k5f h ARG 25 Ca 0.14 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2k5f h ARG 25 Cb 0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2k5f h ARG 25 CO -0.13 0.51 0.21 -0.09 -1.07 0.00 0.00 179.97 179.40 2k5f h ARG 26 N 0.22 0.85 -0.30 0.04 2.43 -1.23 0.39 114.38 116.79 2k5f h ARG 26 Ca 0.03 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2k5f h ARG 26 Cb 0.60 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k5f h ARG 26 CO 0.04 0.75 0.05 -0.07 -1.51 0.00 0.00 179.97 179.23 2k5f h LEU 27 N 0.77 0.47 -0.44 3.80 3.38 -0.71 -1.99 115.31 120.61 2k5f h LEU 27 Ca 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2k5f h LEU 27 Cb 0.23 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2k5f h LEU 27 CO -0.01 0.61 0.21 0.24 0.09 0.00 0.00 178.44 179.58 2k5f h MET 28 N 0.32 0.63 -0.92 1.13 2.86 -0.64 0.17 114.93 118.48 2k5f h MET 28 Ca 0.09 -0.09 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 2k5f h MET 28 Cb 0.34 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 31.81 2k5f h MET 28 CO 0.01 0.54 0.56 0.22 1.06 0.00 0.00 176.91 179.30 2k5f h ASP 29 N 0.56 0.84 -0.20 1.22 3.58 -0.13 -2.00 116.42 120.29 2k5f h ASP 29 Ca 0.15 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.50 2k5f h ASP 29 Cb 0.12 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2k5f h ASP 29 CO -0.02 0.48 -0.34 -0.07 -2.88 0.00 0.00 179.24 176.41 2k5f h LEU 30 N 0.94 0.76 0.00 2.28 3.38 -0.87 -3.46 115.31 118.34 2k5f h LEU 30 Ca 0.44 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k5f h LEU 30 Cb 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k5f h LEU 30 CO -0.23 1.03 0.00 0.61 0.09 0.00 0.00 178.44 179.94 2k5f n GLY 31 N -0.05 -0.79 3.53 0.83 0.00 -0.54 -5.02 105.19 103.15 2k5f n GLY 31 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 3.93 0.00 0.99 0.20 0.51 -4.75 118.68 119.56 2k5f s LEU 32 Ca 0.00 -1.53 0.04 0.00 0.69 0.00 0.00 54.13 53.33 2k5f s LEU 32 Cb 0.00 -2.52 -0.02 0.00 -0.43 0.00 0.00 46.19 43.23 2k5f s LEU 32 CO 0.00 -1.41 0.15 1.33 -0.29 0.00 0.00 176.35 176.13 2k5f n VAL 33 N 6.44 0.00 -2.12 1.68 0.24 -1.26 -3.47 118.33 119.84 2k5f n VAL 33 Ca 0.27 -1.64 -0.42 0.00 -2.04 0.00 0.00 64.34 60.51 2k5f n VAL 33 Cb 0.50 0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 33.56 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 -2.99 4.30 0.00 7.34 3.52 -1.26 -1.80 118.95 128.06 2k5f s ARG 34 Ca 0.21 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 57.94 2k5f s ARG 34 Cb 0.01 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 2k5f s ARG 34 CO 0.15 -0.49 0.00 0.41 -0.81 0.00 0.00 175.30 174.56 2k5f n GLY 35 N 3.57 1.64 3.73 8.12 0.00 -0.43 -5.01 105.19 116.81 2k5f n GLY 35 Ca 0.12 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 -2.38 3.50 -0.17 4.61 0.00 -0.74 -4.82 121.76 121.75 2k5f s ALA 36 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.01 2k5f s ALA 36 Cb 0.00 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.68 2k5f s ALA 36 CO 0.00 -0.50 -0.13 0.15 0.00 0.00 0.00 175.76 175.28 2k5f s LYS 37 N 0.28 2.24 0.31 0.00 1.02 -1.26 -0.06 119.74 122.27 2k5f s LYS 37 Ca 0.58 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.93 2k5f s LYS 37 Cb -0.35 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 34.61 2k5f s LYS 37 CO 0.35 -0.32 -0.07 -0.48 -0.92 0.00 0.00 175.35 173.90 2k5f s LEU 38 N 1.43 2.59 -0.11 3.17 0.05 -0.40 -3.08 118.68 122.33 2k5f s LEU 38 Ca 0.02 -1.20 0.03 0.00 0.05 0.00 0.00 54.13 53.04 2k5f s LEU 38 Cb -0.14 -0.80 0.01 0.00 -2.05 0.00 0.00 46.19 43.20 2k5f s LEU 38 CO -0.10 -0.28 -0.21 -0.75 -0.55 0.00 0.00 176.35 174.47 2k5f s LYS 39 N -3.68 2.73 -0.12 1.48 2.20 -0.45 -1.11 119.74 120.79 2k5f s LYS 39 Ca 0.31 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 2k5f s LYS 39 Cb 0.03 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 2k5f s LYS 39 CO 0.14 0.07 1.61 0.08 -0.36 0.00 0.00 175.35 176.89 2k5f s VAL 40 N 0.60 3.69 -0.09 4.02 1.01 -0.80 -1.04 120.40 127.79 2k5f s VAL 40 Ca -0.14 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 2k5f s VAL 40 Cb -0.17 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 2k5f s VAL 40 CO 0.04 -0.13 -0.01 -0.07 0.00 0.00 0.00 175.10 174.92 2k5f h LEU 41 N 10.66 0.00 -7.23 3.92 3.38 -1.26 0.29 115.31 125.07 2k5f h LEU 41 Ca -0.36 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.74 2k5f h LEU 41 Cb 1.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 2k5f h LEU 41 CO 0.97 0.43 0.50 -0.60 0.09 0.00 0.00 178.44 179.83 2k5f s ARG 42 N -1.51 0.94 0.03 1.13 3.52 -1.07 -4.57 118.95 117.43 2k5f s ARG 42 Ca -0.01 -0.42 0.02 0.00 -0.13 0.00 0.00 55.73 55.19 2k5f s ARG 42 Cb 0.00 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.74 2k5f s ARG 42 CO 0.02 -0.42 0.04 -0.06 -0.81 0.00 0.00 175.30 174.06 2k5f s PHE 43 N -3.17 3.14 1.00 5.12 0.40 -1.26 -1.39 117.98 121.82 2k5f s PHE 43 Ca 0.08 0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.38 2k5f s PHE 43 Cb -0.01 -1.65 0.19 0.00 0.51 0.00 0.00 43.02 42.06 2k5f s PHE 43 CO -0.05 0.50 1.08 0.00 0.70 0.00 0.00 175.22 177.45 2k5f s ALA 44 N -1.22 0.79 -2.00 5.36 0.00 -0.53 -4.80 121.76 119.37 2k5f s ALA 44 Ca 0.24 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.27 2k5f s ALA 44 Cb -0.12 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.76 2k5f s ALA 44 CO 0.15 -3.00 0.28 -0.35 0.00 0.00 0.00 175.76 172.84 2k5f n PRO 45 N -4.35 0.04 -0.05 0.00 -0.04 -1.26 -0.40 135.00 128.94 2k5f n PRO 45 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2k5f n PRO 45 Cb 0.54 -1.23 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 -0.73 0.60 0.00 1.53 4.77 -1.26 -4.98 117.00 116.93 2k5f n LEU 46 Ca 0.00 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2k5f n LEU 46 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2k5f n LEU 46 CO 0.00 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2k5f n GLY 47 N -0.18 1.98 3.18 -0.72 0.00 0.47 -4.97 105.19 104.95 2k5f n GLY 47 Ca 0.01 0.00 -0.12 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 -3.45 -0.36 1.00 1.61 2.15 -1.26 -4.59 116.67 111.77 2k5f s ASP 48 Ca 0.00 0.68 -0.06 0.00 0.43 0.00 0.00 52.55 53.60 2k5f s ASP 48 Cb 0.00 0.62 0.08 0.00 -0.30 0.00 0.00 42.92 43.31 2k5f s ASP 48 CO 0.00 -0.15 0.45 -0.81 -0.17 0.00 0.00 175.17 174.50 2k5f n PRO 49 N 3.63 -0.44 -5.16 4.34 -0.05 -1.26 -4.59 135.00 131.46 2k5f n PRO 49 Ca -0.19 -0.70 -0.30 0.00 -0.05 0.00 0.00 63.50 62.25 2k5f n PRO 49 Cb 0.56 -0.47 -0.16 0.00 -0.05 0.00 0.00 33.50 33.38 2k5f n PRO 49 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 2k5f s ILE 50 N -1.99 1.90 -0.20 0.52 1.01 -0.04 -1.45 121.20 120.95 2k5f s ILE 50 Ca 0.26 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 2k5f s ILE 50 Cb -0.01 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2k5f s ILE 50 CO 0.18 0.53 0.00 -1.61 0.00 0.00 0.00 174.94 174.04 2k5f s GLU 51 N -0.17 3.62 0.05 2.79 2.02 -0.49 -1.77 118.70 124.76 2k5f s GLU 51 Ca -0.02 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.48 2k5f s GLU 51 Cb -0.13 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.00 2k5f s GLU 51 CO 0.03 0.01 -0.10 0.14 0.02 0.00 0.00 175.26 175.36 2k5f s VAL 52 N 1.00 0.71 -0.49 2.63 -7.23 -0.97 -0.71 120.40 115.34 2k5f s VAL 52 Ca 0.02 -1.11 -0.13 0.00 -1.81 0.00 0.00 61.98 58.95 2k5f s VAL 52 Cb -0.14 -0.74 0.11 0.00 0.56 0.00 0.00 36.38 36.17 2k5f s VAL 52 CO 0.02 -0.31 0.41 0.21 -0.31 0.00 0.00 175.10 175.11 2k5f s ASN 53 N -1.56 5.98 -0.38 4.85 3.84 -0.20 -1.75 114.94 125.71 2k5f s ASN 53 Ca -0.07 -1.69 -0.10 0.00 0.21 0.00 0.00 52.86 51.20 2k5f s ASN 53 Cb -0.10 -2.12 0.04 0.00 -0.55 0.00 0.00 41.25 38.52 2k5f s ASN 53 CO 0.01 -0.73 0.21 0.00 -2.79 0.00 0.00 177.10 173.79 2k5f n ASN 55 N 4.97 -5.55 0.00 0.00 4.13 -1.18 -0.98 115.26 116.66 2k5f n ASN 55 Ca -0.12 -0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.10 2k5f n ASN 55 Cb 0.45 -4.56 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 2k5f n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k5f n GLY 56 N -1.07 0.62 3.71 7.41 0.00 -1.26 -5.05 105.19 109.55 2k5f n GLY 56 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.79 4.18 -0.43 1.61 -1.94 -0.15 -5.06 119.30 116.72 2k5f s MET 57 Ca 0.00 -0.15 -0.18 0.00 -1.71 0.00 0.00 55.69 53.65 2k5f s MET 57 Cb 0.00 -3.45 0.02 0.00 2.01 0.00 0.00 34.83 33.41 2k5f s MET 57 CO 0.00 0.22 0.48 -0.51 -0.01 0.00 0.00 175.02 175.20 2k5f s LEU 58 N 0.58 4.80 -0.01 -0.03 1.02 -1.26 0.43 118.68 124.21 2k5f s LEU 58 Ca 0.10 -0.62 0.02 0.00 0.02 0.00 0.00 54.13 53.65 2k5f s LEU 58 Cb -0.12 -2.46 -0.00 0.00 0.02 0.00 0.00 46.19 43.63 2k5f s LEU 58 CO 0.01 -0.63 -0.06 -1.48 0.02 0.00 0.00 176.35 174.21 2k5f s LEU 59 N 2.28 1.98 -0.15 1.79 2.34 -0.72 -5.02 118.68 121.18 2k5f s LEU 59 Ca 0.14 -0.12 -0.03 0.00 0.06 0.00 0.00 54.13 54.19 2k5f s LEU 59 Cb -0.17 -0.34 -0.02 0.00 -0.56 0.00 0.00 46.19 45.11 2k5f s LEU 59 CO 0.15 0.07 -0.07 -0.89 -1.06 0.00 0.00 176.35 174.55 2k5f s THR 60 N -0.10 3.60 0.34 5.48 2.01 -1.26 -2.29 115.64 123.42 2k5f s THR 60 Ca 0.02 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.60 2k5f s THR 60 Cb -0.03 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2k5f s THR 60 CO -0.00 0.50 0.18 0.00 -0.69 0.00 0.00 174.62 174.61 2k5f s MET 61 N 0.45 1.74 0.39 4.92 0.23 -0.73 -4.96 119.30 121.34 2k5f s MET 61 Ca -0.05 -2.02 -0.15 0.00 -1.03 0.00 0.00 55.69 52.43 2k5f s MET 61 Cb -0.15 -0.14 -0.09 0.00 -1.53 0.00 0.00 34.83 32.93 2k5f s MET 61 CO 0.03 -0.51 0.82 1.03 -2.03 0.00 0.00 175.02 174.36 2k5f s ARG 62 N -3.69 3.98 0.53 3.16 1.81 -1.26 -0.86 118.95 122.62 2k5f s ARG 62 Ca 0.33 0.74 0.21 0.00 -1.72 0.00 0.00 55.73 55.29 2k5f s ARG 62 Cb 0.03 -2.33 1.36 0.00 -0.45 0.00 0.00 34.95 33.56 2k5f s ARG 62 CO 0.19 0.01 2.09 -0.09 -0.68 0.00 0.00 175.30 176.82 2k5f h ARG 63 N 1.74 0.00 -0.71 3.54 2.43 -1.91 -1.83 114.38 117.64 2k5f h ARG 63 Ca -0.48 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.79 2k5f h ARG 63 Cb 1.18 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 2k5f h ARG 63 CO 0.64 0.00 0.35 -0.91 -1.51 0.00 0.00 179.97 178.54 2k5f h ASN 64 N 0.00 0.46 -0.20 -3.80 2.35 -1.97 -0.95 115.58 111.47 2k5f h ASN 64 Ca 0.11 0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 55.73 2k5f h ASN 64 Cb 0.44 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.80 2k5f h ASN 64 CO -0.00 0.26 -0.62 -0.33 -1.65 0.00 0.00 177.43 175.09 2k5f h GLU 65 N 0.60 0.77 -0.12 0.81 3.07 -1.65 -3.14 114.58 114.91 2k5f h GLU 65 Ca 0.35 -0.56 -0.03 0.00 -0.50 0.00 0.00 59.36 58.62 2k5f h GLU 65 Cb 0.37 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2k5f h GLU 65 CO -0.27 1.18 -0.07 0.00 -1.40 0.00 0.00 179.01 178.45 2k5f h ALA 66 N 0.59 1.65 -0.54 3.43 0.00 -1.23 -0.11 119.26 123.05 2k5f h ALA 66 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k5f h ALA 66 Cb 1.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2k5f h ALA 66 CO 0.13 0.26 0.28 0.93 0.00 0.00 0.00 179.25 180.85 2k5f h GLU 67 N 0.18 0.77 -0.22 0.00 4.39 -1.18 -2.26 114.58 116.26 2k5f h GLU 67 Ca 0.04 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 2k5f h GLU 67 Cb 0.25 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2k5f h GLU 67 CO 0.01 0.61 -0.28 0.78 -1.16 0.00 0.00 179.01 178.98 2k5f h GLY 68 N 0.72 0.47 -4.95 -3.84 0.00 -1.08 -3.44 103.07 90.96 2k5f h GLY 68 Ca 0.19 -0.39 -0.56 0.00 0.00 0.00 0.00 47.33 46.57 2k5f h GLY 68 CO -0.03 0.36 0.81 -0.42 0.00 0.00 0.00 176.54 177.26 2k5f s ILE 69 N -4.44 4.13 -0.26 2.60 1.01 -0.21 -2.05 121.20 121.98 2k5f s ILE 69 Ca -0.06 1.44 -0.10 0.00 0.00 0.00 0.00 60.65 61.92 2k5f s ILE 69 Cb 0.14 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 2k5f s ILE 69 CO 0.79 -0.05 0.17 -0.89 0.00 0.00 0.00 174.94 174.95 2k5f s THR 70 N 2.78 5.22 0.27 2.92 2.01 0.45 -0.88 115.64 128.43 2k5f s THR 70 Ca 0.58 0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.82 2k5f s THR 70 Cb -0.25 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2k5f s THR 70 CO 0.21 0.30 -0.16 0.68 -0.69 0.00 0.00 174.62 174.96 2k5f s VAL 71 N 1.46 2.19 -0.16 3.82 -7.23 -0.11 -2.28 120.40 118.09 2k5f s VAL 71 Ca 0.07 -2.30 -0.00 0.00 -1.81 0.00 0.00 61.98 57.94 2k5f s VAL 71 Cb -0.15 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.51 2k5f s VAL 71 CO 0.08 -0.40 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.10 2k5f s HIS 72 N -2.68 1.90 0.11 2.82 2.46 0.21 -4.29 115.29 115.82 2k5f s HIS 72 Ca 0.29 -1.14 -0.31 0.00 0.47 0.00 0.00 55.06 54.37 2k5f s HIS 72 Cb -0.02 -1.42 -0.09 0.00 -0.13 0.00 0.00 32.58 30.92 2k5f s HIS 72 CO 0.13 -0.63 1.61 0.42 -2.47 0.00 0.00 174.74 173.80 2k5f s ILE 73 N 1.57 2.85 -1.54 0.89 1.01 -1.26 -0.22 121.20 124.49 2k5f s ILE 73 Ca 0.02 0.48 -0.09 0.00 0.00 0.00 0.00 60.65 61.06 2k5f s ILE 73 Cb -0.14 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2k5f s ILE 73 CO -0.09 0.02 2.81 0.18 0.00 0.00 0.00 174.94 177.87 2k5f n LEU 74 N 4.80 8.59 0.00 2.97 4.77 -0.10 -2.99 117.00 135.03 2k5f n LEU 74 Ca 0.15 -4.51 0.00 0.00 -0.03 0.00 0.00 56.01 51.62 2k5f n LEU 74 Cb 0.40 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.98 2k5f n LEU 74 CO 0.62 2.07 0.00 0.00 -1.33 0.00 0.00 177.39 178.75 2k5f n ALA 75 N 3.08 0.00 -2.77 -1.18 0.00 -1.26 -4.99 120.51 113.38 2k5f n ALA 75 Ca 0.75 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.87 2k5f n ALA 75 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.64 2k5f n ALA 75 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2k5f s GLY 76 N -0.52 2.22 0.00 0.00 0.00 -1.16 -4.98 107.32 102.88 2k5f s GLY 76 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.06 2k5f s GLY 76 CO 0.00 -0.59 0.00 1.34 0.00 0.00 0.00 173.10 173.85 2k5f n ASP 77 N 0.30 -2.32 -4.71 1.64 2.03 -1.26 -4.65 116.55 107.57 2k5f n ASP 77 Ca -0.04 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.87 2k5f n ASP 77 Cb 0.52 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.87 2k5f n ASP 77 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k5f s GLU 78 N 0.00 4.43 0.37 -0.67 0.41 -1.26 -5.07 118.70 116.91 2k5f s GLU 78 Ca 0.00 0.89 0.06 0.00 -0.41 0.00 0.00 54.97 55.51 2k5f s GLU 78 Cb 0.00 -3.45 -0.00 0.00 -1.78 0.00 0.00 34.13 28.89 2k5f s GLU 78 CO 0.00 0.04 0.52 0.20 -0.49 0.00 0.00 175.26 175.53 2k5f s GLY 79 N 0.82 1.65 0.26 -1.39 0.00 -1.26 -5.10 107.32 102.30 2k5f s GLY 79 Ca 0.38 -1.44 -0.02 0.00 0.00 0.00 0.00 44.72 43.64 2k5f s GLY 79 CO 0.18 -1.32 0.48 0.30 0.00 0.00 0.00 173.10 172.74 2k5f s HIS 80 N -2.26 3.48 0.16 1.90 3.76 -1.26 -5.02 115.29 116.05 2k5f s HIS 80 Ca 0.47 0.47 -0.24 0.00 -0.15 0.00 0.00 55.06 55.60 2k5f s HIS 80 Cb -0.10 -1.96 0.04 0.00 1.11 0.00 0.00 32.58 31.67 2k5f s HIS 80 CO 0.32 0.26 1.59 -1.00 -0.85 0.00 0.00 174.74 175.06 2k5f h PRO 81 N 1.68 -0.27 -3.61 8.40 0.13 -2.07 -3.21 132.00 133.04 2k5f h PRO 81 Ca -0.48 0.02 -0.78 0.00 -0.87 0.00 0.00 66.00 63.89 2k5f h PRO 81 Cb 1.19 0.06 -0.29 0.00 0.13 0.00 0.00 31.00 32.10 2k5f h PRO 81 CO 0.66 -0.18 0.21 -1.58 -0.23 0.00 0.00 178.00 176.88 2k5f s HIS 82 N -5.95 4.01 0.00 1.56 2.46 -1.26 -4.79 115.29 111.32 2k5f s HIS 82 Ca -0.15 -2.53 0.00 0.00 0.47 0.00 0.00 55.06 52.85 2k5f s HIS 82 Cb 0.13 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 28.87 2k5f s HIS 82 CO 0.67 -0.92 0.00 0.41 -2.47 0.00 0.00 174.74 172.42 2k5f n GLY 83 N 3.09 -0.08 0.73 1.59 0.00 -1.22 -5.15 105.19 104.15 2k5f n GLY 83 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2k5f n GLY 83 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2k5f n TRP 84 N -1.58 -1.98 0.26 1.61 7.02 -1.26 -4.69 117.44 116.82 2k5f n TRP 84 Ca 0.00 1.08 0.16 0.00 -1.02 0.00 0.00 57.50 57.71 2k5f n TRP 84 Cb 0.00 -1.93 0.58 0.00 -2.42 0.00 0.00 31.31 27.54 2k5f n TRP 84 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 2k5f h PRO 85 N 0.05 0.00 0.00 -0.99 0.13 -2.01 -3.49 132.00 125.69 2k5f h PRO 85 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k5f h PRO 85 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2k5f h PRO 85 CO 0.00 0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.20 2k5f n GLY 86 N 0.23 0.99 3.46 1.56 0.00 -1.26 -4.95 105.19 105.21 2k5f n GLY 86 Ca 0.01 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 2k5f n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k5f s PHE 87 N 0.00 2.79 -0.45 1.61 5.36 -1.26 -5.09 117.98 120.94 2k5f s PHE 87 Ca 0.00 -0.30 -0.14 0.00 -0.96 0.00 0.00 56.93 55.52 2k5f s PHE 87 Cb 0.00 -1.73 0.06 0.00 -0.34 0.00 0.00 43.02 41.01 2k5f s PHE 87 CO 0.00 0.06 0.35 0.50 -1.46 0.00 0.00 175.22 174.67 2k5f s ARG 88 N -0.32 2.91 -0.41 10.12 3.52 -1.26 -5.03 118.95 128.49 2k5f s ARG 88 Ca 0.03 -1.29 -0.08 0.00 -0.13 0.00 0.00 55.73 54.26 2k5f s ARG 88 Cb -0.13 -4.03 0.09 0.00 -1.56 0.00 0.00 34.95 29.32 2k5f s ARG 88 CO 0.03 -0.95 0.24 0.50 -0.81 0.00 0.00 175.30 174.31 2k5f s ARG 89 N 1.61 2.48 -0.29 5.12 3.52 -1.26 -5.03 118.95 125.11 2k5f s ARG 89 Ca 0.04 -1.53 0.01 0.00 -0.13 0.00 0.00 55.73 54.11 2k5f s ARG 89 Cb -0.23 -3.72 0.15 0.00 -1.56 0.00 0.00 34.95 29.59 2k5f s ARG 89 CO 0.07 -0.97 0.36 0.50 -0.81 0.00 0.00 175.30 174.44 2k5f s ARG 90 N 1.36 0.37 -0.26 5.12 3.52 -1.26 -5.11 118.95 122.68 2k5f s ARG 90 Ca 0.04 0.03 -0.14 0.00 -0.13 0.00 0.00 55.73 55.53 2k5f s ARG 90 Cb -0.23 -0.47 0.09 0.00 -1.56 0.00 0.00 34.95 32.77 2k5f s ARG 90 CO 0.01 -1.02 0.63 -1.58 -0.81 0.00 0.00 175.30 172.53 2k5f s HIS 91 N 2.46 -1.04 0.00 5.12 2.46 -1.26 -5.03 115.29 118.01 2k5f s HIS 91 Ca 0.10 2.02 0.00 0.00 0.47 0.00 0.00 55.06 57.65 2k5f s HIS 91 Cb -0.13 0.60 0.00 0.00 -0.13 0.00 0.00 32.58 32.92 2k5f s HIS 91 CO -0.31 -0.52 0.00 2.89 -2.47 0.00 0.00 174.74 174.33 2k5f n ARG 92 N 4.54 0.00 -2.55 2.88 1.85 -1.26 -5.08 116.66 117.04 2k5f n ARG 92 Ca -0.19 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.25 2k5f n ARG 92 Cb 0.56 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.95 2k5f n ARG 92 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2k5f s PHE 93 N 0.00 2.42 -0.29 2.89 0.08 -1.26 -4.80 117.98 117.03 2k5f s PHE 93 Ca 0.00 0.21 0.20 0.00 0.12 0.00 0.00 56.93 57.45 2k5f s PHE 93 Cb 0.00 -4.56 0.49 0.00 -0.57 0.00 0.00 43.02 38.38 2k5f s PHE 93 CO 0.00 -1.85 1.05 0.41 -0.10 0.00 0.00 175.22 174.74 2k5f n GLY 94 N 5.23 2.03 3.23 4.36 0.00 -1.26 -5.02 105.19 113.76 2k5f n GLY 94 Ca 0.06 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 2k5f n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k5f s LYS 95 N -3.53 2.99 -0.14 1.61 2.20 -1.26 -5.05 119.74 116.55 2k5f s LYS 95 Ca 0.29 -2.28 -0.23 0.00 -0.36 0.00 0.00 55.97 53.39 2k5f s LYS 95 Cb 0.38 -4.09 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2k5f s LYS 95 CO -0.01 -1.24 0.71 -0.98 -0.36 0.00 0.00 175.35 173.47 2k5f s ARG 96 N 0.46 4.33 -0.06 4.03 3.03 -1.26 -5.04 118.95 124.44 2k5f s ARG 96 Ca 0.14 0.82 -0.02 0.00 2.03 0.00 0.00 55.73 58.70 2k5f s ARG 96 Cb -0.18 -3.52 0.04 0.00 -1.03 0.00 0.00 34.95 30.25 2k5f s ARG 96 CO -0.04 -0.13 0.08 0.00 -1.13 0.00 0.00 175.30 174.07 2k5f s ALA 97 N 1.51 0.17 -0.26 7.88 0.00 -1.26 -5.11 121.76 124.69 2k5f s ALA 97 Ca 0.35 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 2k5f s ALA 97 Cb -0.17 -0.69 0.15 0.00 0.00 0.00 0.00 23.12 22.41 2k5f s ALA 97 CO 0.14 -0.56 0.44 -0.48 0.00 0.00 0.00 175.76 175.30 2k5f s LEU 98 N 2.19 -0.83 -0.06 0.00 2.34 -1.26 -5.15 118.68 115.92 2k5f s LEU 98 Ca 0.04 0.41 -0.17 0.00 0.06 0.00 0.00 54.13 54.47 2k5f s LEU 98 Cb -0.12 1.39 -0.05 0.00 -0.56 0.00 0.00 46.19 46.85 2k5f s LEU 98 CO -0.04 -0.29 0.46 -1.61 -1.06 0.00 0.00 176.35 173.81 2k5f s GLU 99 N 2.63 4.19 -0.22 1.48 8.01 -1.26 -5.06 118.70 128.46 2k5f s GLU 99 Ca 0.15 0.46 0.01 0.00 0.01 0.00 0.00 54.97 55.59 2k5f s GLU 99 Cb -0.15 -3.34 0.06 0.00 -4.31 0.00 0.00 34.13 26.38 2k5f s GLU 99 CO -0.17 0.39 -0.06 -1.01 0.01 0.00 0.00 175.26 174.41 2k5f s HIS 100 N -0.12 2.33 0.20 1.61 3.76 -1.26 -5.11 115.29 116.70 2k5f s HIS 100 Ca 0.25 -1.67 -0.03 0.00 -0.15 0.00 0.00 55.06 53.46 2k5f s HIS 100 Cb -0.16 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.93 2k5f s HIS 100 CO 0.12 -0.76 0.18 -1.58 -0.85 0.00 0.00 174.74 171.86 2k5f s HIS 101 N 1.42 0.96 -0.18 1.40 5.04 -1.26 -5.03 115.29 117.64 2k5f s HIS 101 Ca -0.05 -1.23 -0.01 0.00 -1.54 0.00 0.00 55.06 52.24 2k5f s HIS 101 Cb -0.18 -0.41 0.00 0.00 0.04 0.00 0.00 32.58 32.03 2k5f s HIS 101 CO -0.07 -0.69 0.03 0.72 -2.34 0.00 0.00 174.74 172.40 2k5f n HIS 102 N -0.26 -2.26 -3.30 3.88 8.25 -1.26 -5.07 115.22 115.21 2k5f n HIS 102 Ca 0.00 0.99 -0.20 0.00 -0.26 0.00 0.00 57.72 58.25 2k5f n HIS 102 Cb 0.65 -2.94 -0.08 0.00 1.12 0.00 0.00 29.99 28.74 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 -1.02 0.10 -0.42 4.41 5.04 -1.26 -5.01 115.29 117.12 2k5f s HIS 103 Ca 0.01 -1.40 -0.33 0.00 -1.54 0.00 0.00 55.06 51.81 2k5f s HIS 103 Cb -0.00 -0.53 0.05 0.00 0.04 0.00 0.00 32.58 32.13 2k5f s HIS 103 CO 0.45 -0.95 0.62 1.58 -2.34 0.00 0.00 174.74 174.09 2k5f n HIS 104 N 3.56 -2.75 -1.59 3.88 -0.00 -1.26 -5.33 115.22 111.72 2k5f n HIS 104 Ca 0.19 1.15 0.00 0.00 0.46 0.00 0.00 57.72 59.51 2k5f n HIS 104 Cb 0.46 -2.23 0.00 0.00 -0.12 0.00 0.00 29.99 28.10 2k5f n HIS 104 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38