#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 3.67 0.42 2.12 3.01 -1.26 -0.71 119.74 126.98 2k5f s LYS 2 Ca 0.00 1.19 0.15 0.00 -1.01 0.00 0.00 55.97 56.29 2k5f s LYS 2 Cb 0.00 -2.08 0.91 0.00 -1.01 0.00 0.00 37.83 35.65 2k5f s LYS 2 CO 0.00 -0.52 1.93 1.25 0.51 0.00 0.00 175.35 178.51 2k5f h LEU 3 N 0.98 0.00 0.00 3.17 5.85 -0.74 -1.36 115.31 123.21 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 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2k5f h LEU 3 CO 0.59 0.26 0.00 -1.54 -0.34 0.00 0.00 178.44 177.41 2k5f n SER 4 N -4.18 0.00 -0.07 1.25 3.41 -0.92 -3.01 113.62 110.10 2k5f n SER 4 Ca -0.02 0.23 0.12 0.00 -0.26 0.00 0.00 58.87 58.94 2k5f n SER 4 Cb 0.31 -0.40 0.20 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.40 0.23 -1.17 4.33 1.02 -0.52 -4.91 120.64 118.21 2k5f n GLU 5 Ca 0.09 -0.15 -0.30 0.00 -0.02 0.00 0.00 57.16 56.78 2k5f n GLU 5 Cb 0.27 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.87 2.42 -0.15 -4.62 1.43 -1.16 -4.97 118.68 108.75 2k5f s LEU 6 Ca 0.13 1.60 0.18 0.00 -1.03 0.00 0.00 54.13 55.01 2k5f s LEU 6 Cb 0.18 -4.07 0.44 0.00 0.03 0.00 0.00 46.19 42.77 2k5f s LEU 6 CO 0.69 -2.57 1.18 2.29 0.23 0.00 0.00 176.35 178.17 2k5f n LYS 7 N -3.85 1.31 -1.04 1.70 -0.00 -1.26 -5.09 118.16 109.92 2k5f n LYS 7 Ca 0.08 -2.98 0.00 0.00 -0.00 0.00 0.00 58.31 55.41 2k5f n LYS 7 Cb 0.55 -1.11 0.00 0.00 -0.00 0.00 0.00 35.03 34.47 2k5f n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k5f n ALA 8 N -0.38 -2.09 -0.76 0.58 0.00 -1.26 -4.82 120.51 111.78 2k5f n ALA 8 Ca 0.16 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2k5f n ALA 8 Cb 0.92 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.45 0.69 3.71 0.00 0.00 0.16 -5.00 105.19 104.30 2k5f n GLY 9 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.28 5.90 -0.23 1.61 1.01 -1.25 -4.93 116.67 116.51 2k5f s ASP 10 Ca 0.00 0.20 -0.06 0.00 0.71 0.00 0.00 52.55 53.40 2k5f s ASP 10 Cb 0.00 -1.98 -0.02 0.00 1.01 0.00 0.00 42.92 41.93 2k5f s ASP 10 CO 0.00 0.24 0.03 -0.13 0.21 0.00 0.00 175.17 175.52 2k5f s ARG 11 N 0.01 3.61 0.21 8.23 0.52 -1.26 -0.98 118.95 129.29 2k5f s ARG 11 Ca 0.07 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 2k5f s ARG 11 Cb -0.12 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 2k5f s ARG 11 CO 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 175.30 175.22 2k5f s ALA 12 N 1.41 1.54 -0.11 2.13 0.00 -0.09 -0.01 121.76 126.63 2k5f s ALA 12 Ca 0.05 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.32 2k5f s ALA 12 Cb -0.15 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2k5f s ALA 12 CO 0.02 -0.35 -0.15 -2.00 0.00 0.00 0.00 175.76 173.28 2k5f s GLU 13 N -3.94 3.12 -0.25 0.00 2.12 -0.10 -0.72 118.70 118.93 2k5f s GLU 13 Ca 0.29 -0.72 -0.29 0.00 0.36 0.00 0.00 54.97 54.60 2k5f s GLU 13 Cb 0.06 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 2k5f s GLU 13 CO 0.08 0.31 1.34 0.08 -0.54 0.00 0.00 175.26 176.52 2k5f s VAL 14 N 0.09 4.11 -0.10 3.70 1.01 -0.20 -1.74 120.40 127.27 2k5f s VAL 14 Ca -0.07 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.23 2k5f s VAL 14 Cb -0.15 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 31.95 2k5f s VAL 14 CO 0.05 -0.35 0.42 0.35 0.00 0.00 0.00 175.10 175.57 2k5f n THR 15 N 5.99 1.67 -3.61 3.92 -2.24 -0.31 -0.83 114.28 118.86 2k5f n THR 15 Ca 0.15 -0.72 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 2k5f n THR 15 Cb 0.46 -1.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.28 2k5f n THR 15 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2k5f s SER 16 N -6.51 -0.70 -0.31 3.42 1.04 -1.05 -4.83 113.70 104.76 2k5f s SER 16 Ca -0.15 1.23 -0.02 0.00 0.48 0.00 0.00 55.95 57.49 2k5f s SER 16 Cb 0.07 1.21 0.05 0.00 0.10 0.00 0.00 66.02 67.45 2k5f s SER 16 CO 0.78 -0.31 0.02 -0.69 0.98 0.00 0.00 173.24 174.02 2k5f s VAL 17 N 0.03 3.08 -0.51 5.02 1.01 -1.26 -0.46 120.40 127.30 2k5f s VAL 17 Ca -0.02 -1.39 -0.17 0.00 0.00 0.00 0.00 61.98 60.40 2k5f s VAL 17 Cb -0.04 -2.78 0.08 0.00 0.00 0.00 0.00 36.38 33.64 2k5f s VAL 17 CO 0.02 -0.14 0.53 0.00 0.00 0.00 0.00 175.10 175.51 2k5f s ALA 18 N 1.26 3.50 0.33 5.51 0.00 -0.93 -4.93 121.76 126.50 2k5f s ALA 18 Ca -0.04 -2.09 -0.17 0.00 0.00 0.00 0.00 51.96 49.65 2k5f s ALA 18 Cb -0.20 -3.26 0.06 0.00 0.00 0.00 0.00 23.12 19.73 2k5f s ALA 18 CO -0.01 -1.96 0.88 0.00 0.00 0.00 0.00 175.76 174.68 2k5f s ALA 19 N 2.09 -1.00 0.49 0.00 0.00 -1.26 -4.08 121.76 118.00 2k5f s ALA 19 Ca 0.08 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.15 2k5f s ALA 19 Cb -0.24 0.70 -0.07 0.00 0.00 0.00 0.00 23.12 23.51 2k5f s ALA 19 CO 0.07 -1.01 1.40 -1.21 0.00 0.00 0.00 175.76 175.01 2k5f s GLU 20 N -2.12 3.44 0.22 0.00 0.41 -1.26 -4.72 118.70 114.66 2k5f s GLU 20 Ca 0.18 2.34 -0.08 0.00 -0.41 0.00 0.00 54.97 57.00 2k5f s GLU 20 Cb -0.04 -2.48 0.32 0.00 -1.78 0.00 0.00 34.13 30.15 2k5f s GLU 20 CO 0.10 -0.99 1.75 -1.00 -0.49 0.00 0.00 175.26 174.63 2k5f h PRO 21 N 1.94 0.44 -0.68 0.39 0.13 -1.99 0.56 132.00 132.79 2k5f h PRO 21 Ca -0.51 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 2k5f h PRO 21 Cb 1.28 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2k5f h PRO 21 CO 0.59 0.29 0.22 0.00 -0.23 0.00 0.00 178.00 178.88 2k5f h ALA 22 N 1.44 1.10 -0.14 -0.56 0.00 -1.99 -1.01 119.26 118.10 2k5f h ALA 22 Ca 0.33 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2k5f h ALA 22 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k5f h ALA 22 CO -0.31 0.62 -0.45 0.28 0.00 0.00 0.00 179.25 179.38 2k5f h VAL 23 N 1.01 1.35 -0.17 0.00 2.07 -1.58 -0.99 116.25 117.94 2k5f h VAL 23 Ca 0.22 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 66.05 2k5f h VAL 23 Cb 0.27 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2k5f h VAL 23 CO -0.01 0.53 -0.04 -0.09 0.02 0.00 0.00 177.57 177.97 2k5f h ARG 24 N 0.19 -0.00 -0.34 1.57 2.43 0.26 0.79 114.38 119.28 2k5f h ARG 24 Ca -0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2k5f h ARG 24 Cb 1.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2k5f h ARG 24 CO 0.10 -0.00 -0.16 -0.09 -1.51 0.00 0.00 179.97 178.30 2k5f h ARG 25 N -0.00 0.62 -0.75 0.20 2.43 -1.21 -1.15 114.38 114.52 2k5f h ARG 25 Ca 0.08 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2k5f h ARG 25 Cb 0.13 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 2k5f h ARG 25 CO -0.18 0.76 0.49 -0.09 -1.51 0.00 0.00 179.97 179.44 2k5f h ARG 26 N 0.56 0.97 -0.51 0.20 2.43 -0.40 0.15 114.38 117.78 2k5f h ARG 26 Ca 0.09 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2k5f h ARG 26 Cb 0.60 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2k5f h ARG 26 CO 0.04 0.64 -0.09 -0.07 -1.51 0.00 0.00 179.97 178.98 2k5f h LEU 27 N 0.99 0.91 -0.76 3.80 3.38 -0.47 -2.16 115.31 121.01 2k5f h LEU 27 Ca 0.28 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2k5f h LEU 27 Cb -0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 2k5f h LEU 27 CO -0.07 1.02 0.24 0.24 0.09 0.00 0.00 178.44 179.96 2k5f h MET 28 N 0.83 1.17 -0.24 1.13 2.86 -0.40 0.42 114.93 120.70 2k5f h MET 28 Ca 0.14 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 2k5f h MET 28 Cb 0.61 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2k5f h MET 28 CO 0.04 0.99 -0.09 -0.44 1.06 0.00 0.00 176.91 178.47 2k5f h ASP 29 N 1.13 0.36 -0.19 1.22 5.19 -0.55 -2.79 116.42 120.79 2k5f h ASP 29 Ca 0.24 -0.08 -0.15 0.00 -0.62 0.00 0.00 57.03 56.43 2k5f h ASP 29 Cb 0.31 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2k5f h ASP 29 CO -0.01 0.49 -0.46 -0.07 -3.12 0.00 0.00 179.24 176.07 2k5f h LEU 30 N 0.36 0.73 0.00 1.55 3.38 -0.70 -3.47 115.31 117.16 2k5f h LEU 30 Ca 0.07 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2k5f h LEU 30 Cb 0.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k5f h LEU 30 CO 0.02 1.17 0.00 0.61 0.09 0.00 0.00 178.44 180.33 2k5f n GLY 31 N 0.48 -0.79 3.34 0.83 0.00 -0.02 -4.89 105.19 104.15 2k5f n GLY 31 Ca -0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.50 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 6.07 0.35 0.99 0.20 0.13 -4.58 118.68 121.84 2k5f s LEU 32 Ca 0.00 -2.01 0.03 0.00 0.69 0.00 0.00 54.13 52.85 2k5f s LEU 32 Cb 0.00 -2.25 -0.05 0.00 -0.43 0.00 0.00 46.19 43.46 2k5f s LEU 32 CO 0.00 -0.85 0.08 0.68 -0.29 0.00 0.00 176.35 175.97 2k5f s VAL 33 N 1.52 0.95 -0.12 1.68 -7.23 -1.26 -2.75 120.40 113.19 2k5f s VAL 33 Ca 0.12 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.00 2k5f s VAL 33 Cb -0.20 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 2k5f s VAL 33 CO -0.01 0.00 1.64 -0.60 -0.31 0.00 0.00 175.10 175.82 2k5f s ARG 34 N -3.85 4.03 0.00 4.82 3.52 -1.26 -1.43 118.95 124.78 2k5f s ARG 34 Ca 0.32 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 2k5f s ARG 34 Cb 0.07 -4.00 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 2k5f s ARG 34 CO 0.15 -1.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.03 2k5f n GLY 35 N 4.32 0.45 3.73 8.12 0.00 -0.01 -5.03 105.19 116.78 2k5f n GLY 35 Ca 0.18 0.00 -0.41 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 3.34 -0.20 4.61 0.00 -0.52 -4.84 121.76 122.16 2k5f s ALA 36 Ca 0.00 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 2k5f s ALA 36 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 2k5f s ALA 36 CO 0.00 -0.17 0.04 0.15 0.00 0.00 0.00 175.76 175.78 2k5f s LYS 37 N -0.23 3.79 0.11 0.00 1.02 -1.26 -1.03 119.74 122.14 2k5f s LYS 37 Ca 0.49 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 56.08 2k5f s LYS 37 Cb -0.28 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2k5f s LYS 37 CO 0.33 0.10 -0.09 -0.48 -0.92 0.00 0.00 175.35 174.29 2k5f s LEU 38 N 0.83 2.47 -0.20 3.17 2.34 0.11 -2.69 118.68 124.71 2k5f s LEU 38 Ca 0.03 -0.92 -0.01 0.00 0.06 0.00 0.00 54.13 53.28 2k5f s LEU 38 Cb -0.14 -0.23 0.01 0.00 -0.56 0.00 0.00 46.19 45.27 2k5f s LEU 38 CO 0.02 -0.35 -0.13 -0.75 -1.06 0.00 0.00 176.35 174.08 2k5f s LYS 39 N -3.36 3.13 -0.17 1.48 2.20 0.53 -0.92 119.74 122.63 2k5f s LYS 39 Ca 0.10 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.66 2k5f s LYS 39 Cb 0.01 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.55 2k5f s LYS 39 CO -0.01 -0.22 1.52 0.08 -0.36 0.00 0.00 175.35 176.37 2k5f s VAL 40 N 1.36 3.83 -0.12 4.02 1.01 -0.15 -0.23 120.40 130.12 2k5f s VAL 40 Ca 0.05 0.97 -0.08 0.00 0.00 0.00 0.00 61.98 62.91 2k5f s VAL 40 Cb -0.14 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2k5f s VAL 40 CO -0.09 -0.21 -0.16 0.18 0.00 0.00 0.00 175.10 174.82 2k5f n LEU 41 N 7.63 1.54 -3.81 3.92 4.77 0.54 0.35 117.00 131.94 2k5f n LEU 41 Ca 0.17 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.62 2k5f n LEU 41 Cb 0.45 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.66 2k5f n LEU 41 CO 0.62 -0.47 -0.04 -0.60 -1.33 0.00 0.00 177.39 175.57 2k5f s ARG 42 N -2.09 0.88 -0.02 3.23 6.06 -0.91 -4.39 118.95 121.71 2k5f s ARG 42 Ca -0.13 -0.89 0.07 0.00 -2.50 0.00 0.00 55.73 52.28 2k5f s ARG 42 Cb 0.02 0.37 -0.02 0.00 0.06 0.00 0.00 34.95 35.37 2k5f s ARG 42 CO 0.20 -0.29 -0.24 -0.06 -2.50 0.00 0.00 175.30 172.41 2k5f s PHE 43 N -3.77 2.40 0.79 5.12 0.40 -1.26 -0.76 117.98 120.91 2k5f s PHE 43 Ca 0.04 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 2k5f s PHE 43 Cb 0.04 -1.52 0.07 0.00 0.51 0.00 0.00 43.02 42.12 2k5f s PHE 43 CO -0.11 0.01 1.13 0.00 0.70 0.00 0.00 175.22 176.95 2k5f s ALA 44 N -0.64 2.02 -1.99 5.36 0.00 -0.79 -4.84 121.76 120.87 2k5f s ALA 44 Ca 0.10 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2k5f s ALA 44 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2k5f s ALA 44 CO -0.01 -2.03 0.16 -0.35 0.00 0.00 0.00 175.76 173.54 2k5f n PRO 45 N -3.45 0.00 -0.10 0.00 -0.04 -1.26 -0.43 135.00 129.72 2k5f n PRO 45 Ca 0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 2k5f n PRO 45 Cb 0.52 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.66 0.87 0.00 1.53 4.77 -1.26 -4.97 117.00 117.27 2k5f n LEU 46 Ca 0.00 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 2k5f n LEU 46 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2k5f n LEU 46 CO 0.00 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2k5f n GLY 47 N -0.33 0.38 3.64 -0.72 0.00 0.43 -4.93 105.19 103.66 2k5f n GLY 47 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.07 -0.45 1.01 1.61 2.15 -1.26 -4.55 116.67 113.12 2k5f s ASP 48 Ca 0.00 0.76 -0.09 0.00 0.43 0.00 0.00 52.55 53.64 2k5f s ASP 48 Cb 0.00 1.05 0.13 0.00 -0.30 0.00 0.00 42.92 43.79 2k5f s ASP 48 CO 0.00 -0.12 0.74 -0.81 -0.17 0.00 0.00 175.17 174.81 2k5f n PRO 49 N 3.15 -0.79 -5.03 4.34 -0.04 -1.26 -4.63 135.00 130.74 2k5f n PRO 49 Ca -0.16 -1.14 -0.32 0.00 -0.04 0.00 0.00 63.50 61.83 2k5f n PRO 49 Cb 0.57 -0.77 -0.15 0.00 -0.04 0.00 0.00 33.50 33.11 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 -2.61 2.59 -0.35 0.52 1.01 0.38 -1.88 121.20 120.86 2k5f s ILE 50 Ca 0.42 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 2k5f s ILE 50 Cb -0.01 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2k5f s ILE 50 CO 0.30 0.56 0.32 -1.61 0.00 0.00 0.00 174.94 174.50 2k5f s GLU 51 N -0.11 3.45 -0.03 2.79 0.41 0.06 -2.53 118.70 122.74 2k5f s GLU 51 Ca -0.03 -0.58 0.03 0.00 -0.41 0.00 0.00 54.97 53.98 2k5f s GLU 51 Cb -0.14 -3.83 -0.00 0.00 -1.78 0.00 0.00 34.13 28.38 2k5f s GLU 51 CO 0.04 -0.54 -0.12 0.14 -0.49 0.00 0.00 175.26 174.29 2k5f s VAL 52 N 1.88 1.00 -0.62 2.63 -7.23 -0.69 -0.34 120.40 117.03 2k5f s VAL 52 Ca 0.09 -0.50 -0.22 0.00 -1.81 0.00 0.00 61.98 59.54 2k5f s VAL 52 Cb -0.17 -0.87 0.07 0.00 0.56 0.00 0.00 36.38 35.97 2k5f s VAL 52 CO 0.11 0.30 0.91 0.21 -0.31 0.00 0.00 175.10 176.32 2k5f s ASN 53 N 0.03 6.21 -0.32 4.85 3.84 0.69 0.05 114.94 130.29 2k5f s ASN 53 Ca -0.01 -0.92 -0.07 0.00 0.21 0.00 0.00 52.86 52.08 2k5f s ASN 53 Cb -0.08 -2.40 0.02 0.00 -0.55 0.00 0.00 41.25 38.24 2k5f s ASN 53 CO 0.01 -1.34 0.09 0.00 -2.79 0.00 0.00 177.10 173.07 2k5f n ASN 55 N 4.84 -5.31 0.00 0.00 2.85 -1.09 -1.41 115.26 115.13 2k5f n ASN 55 Ca -0.13 -0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 2k5f n ASN 55 Cb 0.46 -4.38 0.00 0.00 1.24 0.00 0.00 39.78 37.10 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 -1.01 3.32 3.76 8.20 0.00 -1.26 -5.05 105.19 113.16 2k5f n GLY 56 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 4.07 -0.54 1.61 -1.94 -0.50 -5.03 119.30 116.10 2k5f s MET 57 Ca 0.00 0.02 -0.28 0.00 -1.71 0.00 0.00 55.69 53.72 2k5f s MET 57 Cb 0.00 -3.36 0.01 0.00 2.01 0.00 0.00 34.83 33.48 2k5f s MET 57 CO 0.00 0.39 1.47 -0.51 -0.01 0.00 0.00 175.02 176.36 2k5f s LEU 58 N 0.04 3.42 -0.15 -0.03 1.43 -1.26 0.18 118.68 122.30 2k5f s LEU 58 Ca 0.15 0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 2k5f s LEU 58 Cb -0.13 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 2k5f s LEU 58 CO 0.04 -1.73 0.01 -0.76 0.23 0.00 0.00 176.35 174.13 2k5f s LEU 59 N 6.26 3.54 -0.24 1.79 1.43 0.11 -4.97 118.68 126.61 2k5f s LEU 59 Ca 0.56 0.01 -0.06 0.00 -1.03 0.00 0.00 54.13 53.61 2k5f s LEU 59 Cb -0.12 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2k5f s LEU 59 CO 0.26 0.21 0.02 -0.89 0.23 0.00 0.00 176.35 176.17 2k5f s THR 60 N 0.15 3.85 0.24 5.49 2.01 -1.26 -1.71 115.64 124.41 2k5f s THR 60 Ca 0.02 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.68 2k5f s THR 60 Cb -0.13 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 2k5f s THR 60 CO 0.02 0.37 0.09 0.00 -0.69 0.00 0.00 174.62 174.41 2k5f s MET 61 N 1.55 1.34 0.40 4.92 0.23 -1.05 -4.97 119.30 121.71 2k5f s MET 61 Ca 0.06 -1.72 -0.07 0.00 -1.03 0.00 0.00 55.69 52.94 2k5f s MET 61 Cb -0.15 -0.17 -0.05 0.00 -1.53 0.00 0.00 34.83 32.93 2k5f s MET 61 CO 0.00 -0.30 0.70 1.03 -2.03 0.00 0.00 175.02 174.43 2k5f s ARG 62 N -4.04 3.64 0.35 3.16 1.81 -1.26 -0.47 118.95 122.14 2k5f s ARG 62 Ca 0.37 0.21 0.08 0.00 -1.72 0.00 0.00 55.73 54.66 2k5f s ARG 62 Cb 0.08 -2.47 0.79 0.00 -0.45 0.00 0.00 34.95 32.90 2k5f s ARG 62 CO 0.12 -0.01 1.88 -0.09 -0.68 0.00 0.00 175.30 176.52 2k5f h ARG 63 N 0.99 0.70 -0.74 3.54 2.43 -1.91 -0.95 114.38 118.44 2k5f h ARG 63 Ca -0.47 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 58.75 2k5f h ARG 63 Cb 1.20 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 2k5f h ARG 63 CO 0.63 0.46 0.38 -0.91 -1.51 0.00 0.00 179.97 179.02 2k5f h ASN 64 N 0.72 0.49 -0.11 -3.80 2.35 -1.94 -0.33 115.58 112.97 2k5f h ASN 64 Ca 0.43 0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 56.03 2k5f h ASN 64 Cb 0.64 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 39.00 2k5f h ASN 64 CO -0.19 0.27 -0.75 -0.33 -1.65 0.00 0.00 177.43 174.78 2k5f h GLU 65 N 0.63 0.75 0.00 0.81 5.08 -1.57 -2.94 114.58 117.33 2k5f h GLU 65 Ca 0.37 -0.60 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2k5f h GLU 65 Cb 0.39 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2k5f h GLU 65 CO -0.28 1.21 -0.19 0.00 -1.00 0.00 0.00 179.01 178.76 2k5f h ALA 66 N 0.62 1.30 -0.36 3.43 0.00 -0.75 -1.92 119.26 121.58 2k5f h ALA 66 Ca -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2k5f h ALA 66 Cb 1.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2k5f h ALA 66 CO 0.15 0.24 0.16 0.93 0.00 0.00 0.00 179.25 180.73 2k5f h GLU 67 N 0.00 0.53 -0.33 0.00 5.08 -0.90 -2.38 114.58 116.57 2k5f h GLU 67 Ca -0.00 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2k5f h GLU 67 Cb 0.46 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2k5f h GLU 67 CO 0.02 0.49 -0.16 0.78 -1.00 0.00 0.00 179.01 179.15 2k5f h GLY 68 N 0.44 0.65 -4.91 -3.84 0.00 -1.33 -3.44 103.07 90.64 2k5f h GLY 68 Ca 0.12 -0.49 -0.56 0.00 0.00 0.00 0.00 47.33 46.41 2k5f h GLY 68 CO -0.01 0.45 0.79 -0.42 0.00 0.00 0.00 176.54 177.34 2k5f s ILE 69 N -4.67 4.18 -0.19 2.60 1.01 -0.82 -2.18 121.20 121.11 2k5f s ILE 69 Ca -0.08 1.49 -0.08 0.00 0.00 0.00 0.00 60.65 61.98 2k5f s ILE 69 Cb 0.14 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2k5f s ILE 69 CO 0.80 -0.04 0.07 -0.89 0.00 0.00 0.00 174.94 174.88 2k5f s THR 70 N 2.66 4.76 0.22 2.92 2.01 0.39 -0.89 115.64 127.72 2k5f s THR 70 Ca 0.57 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.56 2k5f s THR 70 Cb -0.25 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2k5f s THR 70 CO 0.20 0.44 0.02 0.68 -0.69 0.00 0.00 174.62 175.27 2k5f s VAL 71 N 0.58 0.82 -0.04 3.82 -7.23 0.11 -1.17 120.40 117.29 2k5f s VAL 71 Ca 0.04 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2k5f s VAL 71 Cb -0.13 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.48 2k5f s VAL 71 CO 0.01 -0.31 -0.13 -1.38 -0.31 0.00 0.00 175.10 172.99 2k5f s HIS 72 N -3.57 1.36 0.11 2.82 -3.43 -0.71 -3.66 115.29 108.21 2k5f s HIS 72 Ca 0.29 -0.40 -0.31 0.00 -0.80 0.00 0.00 55.06 53.84 2k5f s HIS 72 Cb 0.06 -0.95 -0.08 0.00 -1.43 0.00 0.00 32.58 30.18 2k5f s HIS 72 CO 0.08 -0.17 1.38 0.42 -2.00 0.00 0.00 174.74 174.46 2k5f s ILE 73 N 0.25 3.33 -1.07 -5.38 1.01 -1.26 -0.93 121.20 117.15 2k5f s ILE 73 Ca -0.06 0.95 -0.20 0.00 0.00 0.00 0.00 60.65 61.33 2k5f s ILE 73 Cb -0.11 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 38.83 2k5f s ILE 73 CO 0.02 0.07 1.45 -0.76 0.00 0.00 0.00 174.94 175.72 2k5f s LEU 74 N 1.12 4.00 -0.34 2.97 1.43 0.98 -4.62 118.68 124.22 2k5f s LEU 74 Ca 0.64 -1.90 0.15 0.00 -1.03 0.00 0.00 54.13 52.00 2k5f s LEU 74 Cb -0.37 -2.53 0.43 0.00 0.03 0.00 0.00 46.19 43.76 2k5f s LEU 74 CO 0.30 -1.29 1.25 0.00 0.23 0.00 0.00 176.35 176.84 2k5f n ALA 75 N 8.07 2.41 0.10 4.21 0.00 -1.26 -4.85 120.51 129.19 2k5f n ALA 75 Ca 0.35 -1.96 -0.13 0.00 0.00 0.00 0.00 53.44 51.70 2k5f n ALA 75 Cb 0.49 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 2k5f n ALA 75 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k5f h GLY 76 N 2.15 -0.20 -5.31 0.00 0.00 -2.00 -3.44 103.07 94.26 2k5f h GLY 76 Ca -0.25 0.07 -0.19 0.00 0.00 0.00 0.00 47.33 46.97 2k5f h GLY 76 CO 0.10 -0.07 -0.58 -0.35 0.00 0.00 0.00 176.54 175.64 2k5f s ASP 77 N -5.12 -0.07 -0.23 0.19 2.15 -1.26 -5.00 116.67 107.34 2k5f s ASP 77 Ca -0.14 0.11 -0.02 0.00 0.43 0.00 0.00 52.55 52.93 2k5f s ASP 77 Cb 0.05 0.22 0.01 0.00 -0.30 0.00 0.00 42.92 42.89 2k5f s ASP 77 CO 0.64 -0.11 0.03 1.21 -0.17 0.00 0.00 175.17 176.77 2k5f n GLU 78 N 2.66 -2.90 -2.83 4.34 2.13 -1.26 -5.05 120.64 117.73 2k5f n GLU 78 Ca -0.15 2.39 -0.10 0.00 0.66 0.00 0.00 57.16 59.96 2k5f n GLU 78 Cb 0.58 -4.41 0.02 0.00 0.27 0.00 0.00 31.44 27.90 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 0.68 0.39 3.78 8.31 0.00 -1.26 -4.91 105.19 112.18 2k5f n GLY 79 Ca -0.05 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2k5f n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k5f s HIS 80 N 0.44 2.69 0.36 1.61 3.76 -1.26 -4.93 115.29 117.97 2k5f s HIS 80 Ca 0.32 1.55 0.34 0.00 -0.15 0.00 0.00 55.06 57.12 2k5f s HIS 80 Cb 0.18 -3.19 1.66 0.00 1.11 0.00 0.00 32.58 32.34 2k5f s HIS 80 CO -0.20 -1.55 2.11 -1.00 -0.85 0.00 0.00 174.74 173.25 2k5f h PRO 81 N 0.55 0.00 -3.89 8.40 0.13 -2.00 -3.46 132.00 131.72 2k5f h PRO 81 Ca -0.48 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.28 2k5f h PRO 81 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k5f h PRO 81 CO 0.56 0.05 -0.51 0.72 -0.23 0.00 0.00 178.00 178.59 2k5f n HIS 82 N -3.29 -1.46 0.00 1.56 8.25 -1.26 -4.87 115.22 114.14 2k5f n HIS 82 Ca -0.01 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2k5f n HIS 82 Cb 0.23 -3.73 0.00 0.00 1.12 0.00 0.00 29.99 27.60 2k5f n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k5f n GLY 83 N -1.13 5.14 3.30 -1.41 0.00 -1.26 -5.18 105.19 104.65 2k5f n GLY 83 Ca -0.16 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 3.18 -0.42 -0.23 1.61 -0.11 -1.26 -5.14 118.94 116.58 2k5f s TRP 84 Ca 0.00 0.97 -0.29 0.00 1.22 0.00 0.00 56.10 58.00 2k5f s TRP 84 Cb 0.00 0.15 0.00 0.00 -1.50 0.00 0.00 33.47 32.13 2k5f s TRP 84 CO 0.00 -0.26 1.17 -2.14 -4.62 0.00 0.00 176.95 171.10 2k5f s PRO 85 N -0.09 4.16 0.53 5.86 0.02 -1.26 -5.04 135.00 139.18 2k5f s PRO 85 Ca -0.03 1.41 0.03 0.00 0.02 0.00 0.00 61.00 62.43 2k5f s PRO 85 Cb -0.03 -3.74 0.10 0.00 0.02 0.00 0.00 34.50 30.85 2k5f s PRO 85 CO 0.02 -0.78 0.73 0.41 -0.33 0.00 0.00 177.00 177.04 2k5f n GLY 86 N 3.67 1.18 0.73 0.52 0.00 -1.26 -5.08 105.19 104.95 2k5f n GLY 86 Ca 0.13 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 2k5f n GLY 86 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k5f n PHE 87 N -2.33 0.00 -1.50 1.61 7.35 -1.26 -5.14 117.46 116.19 2k5f n PHE 87 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 2k5f n PHE 87 Cb 0.47 -0.20 0.00 0.00 0.35 0.00 0.00 39.48 40.10 2k5f n PHE 87 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2k5f n ARG 88 N -3.72 -2.76 -2.75 -4.13 3.00 -1.26 -5.04 116.66 100.00 2k5f n ARG 88 Ca -0.08 2.22 -0.21 0.00 -0.01 0.00 0.00 57.85 59.78 2k5f n ARG 88 Cb 0.28 -2.43 0.06 0.00 0.00 0.00 0.00 32.46 30.37 2k5f n ARG 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2k5f s ARG 89 N -1.54 2.27 -1.46 5.56 1.70 -1.26 -4.46 118.95 119.76 2k5f s ARG 89 Ca 0.00 -1.11 -0.09 0.00 -0.47 0.00 0.00 55.73 54.07 2k5f s ARG 89 Cb 0.00 -2.51 0.04 0.00 -0.57 0.00 0.00 34.95 31.91 2k5f s ARG 89 CO 0.00 -0.90 0.82 -2.13 -1.08 0.00 0.00 175.30 172.01 2k5f n ARG 90 N -2.41 -5.54 -2.54 3.89 0.63 -1.26 -4.85 116.66 104.58 2k5f n ARG 90 Ca 0.12 0.74 -0.41 0.00 -0.92 0.00 0.00 57.85 57.37 2k5f n ARG 90 Cb 0.60 -5.63 -0.02 0.00 0.45 0.00 0.00 32.46 27.86 2k5f n ARG 90 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2k5f s HIS 91 N -3.20 2.56 -0.14 -0.14 2.46 -1.26 -4.87 115.29 110.71 2k5f s HIS 91 Ca 0.48 -0.99 -0.04 0.00 0.47 0.00 0.00 55.06 54.98 2k5f s HIS 91 Cb -0.23 -4.68 0.07 0.00 -0.13 0.00 0.00 32.58 27.61 2k5f s HIS 91 CO 0.59 -1.88 0.22 0.50 -2.47 0.00 0.00 174.74 171.70 2k5f s ARG 92 N 4.87 0.12 -0.61 2.88 3.52 -1.26 -5.10 118.95 123.37 2k5f s ARG 92 Ca 0.50 0.52 -0.26 0.00 -0.13 0.00 0.00 55.73 56.36 2k5f s ARG 92 Cb 0.01 -0.47 0.04 0.00 -1.56 0.00 0.00 34.95 32.97 2k5f s ARG 92 CO -0.04 -0.41 1.11 -0.06 -0.81 0.00 0.00 175.30 175.09 2k5f s PHE 93 N 2.35 2.61 0.75 5.12 0.08 -1.26 -5.00 117.98 122.63 2k5f s PHE 93 Ca 0.04 0.11 -0.11 0.00 0.12 0.00 0.00 56.93 57.08 2k5f s PHE 93 Cb -0.13 -4.38 0.04 0.00 -0.57 0.00 0.00 43.02 37.98 2k5f s PHE 93 CO -0.09 -1.61 1.10 0.20 -0.10 0.00 0.00 175.22 174.72 2k5f s GLY 94 N 3.13 1.63 -0.02 4.36 0.00 -1.26 -5.08 107.32 110.07 2k5f s GLY 94 Ca 0.36 -0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.84 2k5f s GLY 94 CO 0.20 0.11 -0.16 1.25 0.00 0.00 0.00 173.10 174.51 2k5f s LYS 95 N -5.27 1.43 0.50 2.90 2.20 -1.26 -5.13 119.74 115.12 2k5f s LYS 95 Ca 0.59 -0.56 -0.23 0.00 -0.36 0.00 0.00 55.97 55.41 2k5f s LYS 95 Cb -0.13 -1.33 -0.06 0.00 -1.51 0.00 0.00 37.83 34.81 2k5f s LYS 95 CO 0.53 0.29 1.32 -0.98 -0.36 0.00 0.00 175.35 176.15 2k5f s ARG 96 N -0.19 3.41 -0.25 4.03 1.70 -1.26 -4.85 118.95 121.53 2k5f s ARG 96 Ca 0.02 2.15 -0.28 0.00 -0.47 0.00 0.00 55.73 57.15 2k5f s ARG 96 Cb -0.08 -2.38 -0.04 0.00 -0.57 0.00 0.00 34.95 31.88 2k5f s ARG 96 CO 0.00 -0.95 2.11 0.00 -1.08 0.00 0.00 175.30 175.39 2k5f s ALA 97 N -1.34 2.75 -0.32 7.88 0.00 -1.26 -4.94 121.76 124.53 2k5f s ALA 97 Ca 0.67 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 2k5f s ALA 97 Cb -0.38 -4.06 0.03 0.00 0.00 0.00 0.00 23.12 18.71 2k5f s ALA 97 CO 0.46 -2.77 0.10 -1.17 0.00 0.00 0.00 175.76 172.37 2k5f s LEU 98 N 7.99 4.17 -0.25 0.00 1.98 -1.26 -5.06 118.68 126.24 2k5f s LEU 98 Ca 0.95 -1.00 -0.08 0.00 -2.89 0.00 0.00 54.13 51.11 2k5f s LEU 98 Cb -0.30 -1.87 -0.03 0.00 0.66 0.00 0.00 46.19 44.64 2k5f s LEU 98 CO 0.35 -0.28 0.09 -0.70 -1.89 0.00 0.00 176.35 173.92 2k5f s GLU 99 N 1.44 3.72 0.53 1.98 2.12 -1.26 -5.06 118.70 122.16 2k5f s GLU 99 Ca -0.00 -0.44 -0.22 0.00 0.36 0.00 0.00 54.97 54.66 2k5f s GLU 99 Cb -0.19 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.76 2k5f s GLU 99 CO 0.03 -0.18 1.29 1.58 -0.54 0.00 0.00 175.26 177.44 2k5f n HIS 100 N 4.93 2.07 -1.40 5.30 -0.00 -1.26 -4.97 115.22 119.90 2k5f n HIS 100 Ca -0.16 0.45 -0.29 0.00 -0.00 0.00 0.00 57.72 57.72 2k5f n HIS 100 Cb 0.52 -2.34 0.14 0.00 -0.00 0.00 0.00 29.99 28.30 2k5f n HIS 100 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5f s HIS 101 N -1.30 2.45 0.27 1.57 0.09 -1.26 -5.03 115.29 112.08 2k5f s HIS 101 Ca 0.70 1.01 -0.12 0.00 -0.00 0.00 0.00 55.06 56.65 2k5f s HIS 101 Cb -0.44 -3.26 -0.08 0.00 -0.00 0.00 0.00 32.58 28.80 2k5f s HIS 101 CO 0.51 -2.37 0.63 -1.01 -0.00 0.00 0.00 174.74 172.50 2k5f s HIS 102 N -3.12 3.40 0.22 1.40 0.09 -1.26 -5.09 115.29 110.93 2k5f s HIS 102 Ca 0.63 1.03 0.02 0.00 -0.00 0.00 0.00 55.06 56.75 2k5f s HIS 102 Cb -0.16 -2.39 -0.05 0.00 -0.00 0.00 0.00 32.58 29.98 2k5f s HIS 102 CO 0.55 0.19 0.03 -3.38 -0.00 0.00 0.00 174.74 172.14 2k5f s HIS 103 N -1.89 1.41 -0.07 1.40 -3.43 -1.26 -5.12 115.29 106.33 2k5f s HIS 103 Ca 0.50 -1.05 -0.30 0.00 -0.80 0.00 0.00 55.06 53.42 2k5f s HIS 103 Cb -0.11 -0.81 -0.02 0.00 -1.43 0.00 0.00 32.58 30.20 2k5f s HIS 103 CO 0.19 -0.21 1.09 -1.01 -2.00 0.00 0.00 174.74 172.80 2k5f s HIS 104 N -3.63 3.40 -2.76 0.38 3.76 -1.26 -5.34 115.29 109.84 2k5f s HIS 104 Ca 0.30 1.45 0.26 0.00 -0.15 0.00 0.00 55.06 56.91 2k5f s HIS 104 Cb 0.07 -3.28 0.61 0.00 1.11 0.00 0.00 32.58 31.08 2k5f s HIS 104 CO 0.08 -0.67 1.50 0.72 -0.85 0.00 0.00 174.74 175.52