#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 0.33 2.12 3.01 -1.26 -0.75 119.74 126.99 2k5f s LYS 2 Ca 0.00 0.46 0.06 0.00 -1.01 0.00 0.00 55.97 55.47 2k5f s LYS 2 Cb 0.00 -2.43 0.58 0.00 -1.01 0.00 0.00 37.83 34.97 2k5f s LYS 2 CO 0.00 0.03 1.82 1.25 0.51 0.00 0.00 175.35 178.95 2k5f h LEU 3 N 1.50 0.38 0.00 3.17 5.85 -0.39 -1.45 115.31 124.37 2k5f h LEU 3 Ca -0.47 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2k5f h LEU 3 Cb 1.18 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2k5f h LEU 3 CO 0.64 0.57 0.00 -0.24 -0.34 0.00 0.00 178.44 179.07 2k5f n SER 4 N -4.20 0.00 -0.88 1.25 2.88 -0.51 -2.28 113.62 109.88 2k5f n SER 4 Ca -0.00 0.30 0.12 0.00 -1.33 0.00 0.00 58.87 57.96 2k5f n SER 4 Cb 0.33 -0.42 0.23 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.42 2.19 -1.90 -1.46 -0.58 -0.55 -4.91 120.64 112.01 2k5f n GLU 5 Ca 0.07 -1.76 -0.30 0.00 -0.42 0.00 0.00 57.16 54.76 2k5f n GLU 5 Cb 0.23 -1.47 0.19 0.00 -0.57 0.00 0.00 31.44 29.82 2k5f n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k5f s LEU 6 N -1.83 2.64 0.09 -4.62 1.43 -0.97 -4.91 118.68 110.51 2k5f s LEU 6 Ca 0.33 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 2k5f s LEU 6 Cb 0.21 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2k5f s LEU 6 CO 0.31 -2.83 -0.09 -0.54 0.23 0.00 0.00 176.35 173.43 2k5f s LYS 7 N -5.89 0.83 -0.07 1.70 1.02 -1.26 -5.08 119.74 110.98 2k5f s LYS 7 Ca 0.74 -1.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.25 2k5f s LYS 7 Cb -0.04 -0.45 -0.09 0.00 -0.52 0.00 0.00 37.83 36.74 2k5f s LYS 7 CO 0.53 0.06 2.03 0.00 -0.92 0.00 0.00 175.35 177.05 2k5f n ALA 8 N 0.47 1.46 0.00 5.17 0.00 -1.26 -1.99 120.51 124.36 2k5f n ALA 8 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2k5f n ALA 8 Cb 0.58 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 4.94 1.18 3.81 0.00 0.00 0.12 -4.99 105.19 110.24 2k5f n GLY 9 Ca 0.24 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.65 6.28 -0.02 1.61 1.01 -0.84 -4.65 116.67 119.41 2k5f s ASP 10 Ca 0.00 1.84 0.05 0.00 0.71 0.00 0.00 52.55 55.15 2k5f s ASP 10 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 2k5f s ASP 10 CO 0.00 -0.83 -0.15 -0.13 0.21 0.00 0.00 175.17 174.28 2k5f s ARG 11 N -3.53 2.39 0.16 8.23 0.52 -1.26 -0.05 118.95 125.41 2k5f s ARG 11 Ca 0.65 -0.77 -0.07 0.00 -0.52 0.00 0.00 55.73 55.02 2k5f s ARG 11 Cb -0.15 -2.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 2k5f s ARG 11 CO 0.25 0.60 0.24 0.00 0.02 0.00 0.00 175.30 176.41 2k5f s ALA 12 N -0.80 0.24 -0.12 2.13 0.00 0.13 -1.63 121.76 121.72 2k5f s ALA 12 Ca 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2k5f s ALA 12 Cb -0.11 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 2k5f s ALA 12 CO 0.02 -0.62 -0.12 -2.00 0.00 0.00 0.00 175.76 173.03 2k5f s GLU 13 N -4.00 3.24 -0.18 0.00 2.12 0.15 -0.91 118.70 119.13 2k5f s GLU 13 Ca 0.20 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.57 2k5f s GLU 13 Cb 0.04 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 2k5f s GLU 13 CO 0.02 0.30 1.31 0.08 -0.54 0.00 0.00 175.26 176.43 2k5f s VAL 14 N 0.14 4.18 -0.16 3.70 1.01 0.53 -0.52 120.40 129.28 2k5f s VAL 14 Ca -0.06 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.42 2k5f s VAL 14 Cb -0.15 -3.97 -0.23 0.00 0.00 0.00 0.00 36.38 32.03 2k5f s VAL 14 CO 0.05 -0.19 0.21 0.35 0.00 0.00 0.00 175.10 175.52 2k5f n THR 15 N 5.55 1.54 -3.56 3.92 -2.24 -0.48 -0.36 114.28 118.64 2k5f n THR 15 Ca 0.14 -0.74 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 2k5f n THR 15 Cb 0.45 -1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 67.57 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 -6.15 -0.60 -0.18 3.42 1.04 -1.03 -4.79 113.70 105.41 2k5f s SER 16 Ca -0.16 0.80 0.01 0.00 0.48 0.00 0.00 55.95 57.08 2k5f s SER 16 Cb 0.07 0.69 0.02 0.00 0.10 0.00 0.00 66.02 66.91 2k5f s SER 16 CO 0.77 -0.45 -0.18 -0.69 0.98 0.00 0.00 173.24 173.66 2k5f s VAL 17 N -0.77 2.01 -0.43 5.02 1.01 -1.26 0.21 120.40 126.18 2k5f s VAL 17 Ca -0.06 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 2k5f s VAL 17 Cb -0.01 -1.85 0.08 0.00 0.00 0.00 0.00 36.38 34.59 2k5f s VAL 17 CO 0.05 0.48 0.30 0.00 0.00 0.00 0.00 175.10 175.93 2k5f s ALA 18 N 1.30 3.36 0.28 5.51 0.00 -0.75 -4.92 121.76 126.54 2k5f s ALA 18 Ca 0.04 -2.16 -0.13 0.00 0.00 0.00 0.00 51.96 49.70 2k5f s ALA 18 Cb -0.14 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.23 2k5f s ALA 18 CO -0.12 -1.68 0.57 0.00 0.00 0.00 0.00 175.76 174.53 2k5f s ALA 19 N 1.47 -0.37 0.42 0.00 0.00 -1.26 -3.97 121.76 118.05 2k5f s ALA 19 Ca 0.03 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.90 2k5f s ALA 19 Cb -0.23 0.99 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 2k5f s ALA 19 CO 0.03 -0.90 1.37 -1.91 0.00 0.00 0.00 175.76 174.35 2k5f n GLU 20 N -0.44 2.20 -0.29 0.00 0.00 -1.26 -4.69 120.64 116.17 2k5f n GLU 20 Ca -0.03 0.78 0.08 0.00 0.00 0.00 0.00 57.16 57.99 2k5f n GLU 20 Cb 0.61 -2.52 0.23 0.00 0.00 0.00 0.00 31.44 29.76 2k5f n GLU 20 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 2k5f h PRO 21 N 2.37 0.52 -0.19 5.31 0.13 -2.00 0.46 132.00 138.60 2k5f h PRO 21 Ca -0.49 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 2k5f h PRO 21 Cb 1.27 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k5f h PRO 21 CO 0.61 0.35 -0.24 0.00 -0.23 0.00 0.00 178.00 178.49 2k5f h ALA 22 N 1.58 0.29 -0.55 -0.56 0.00 -1.99 -1.17 119.26 116.86 2k5f h ALA 22 Ca 0.47 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2k5f h ALA 22 Cb 0.72 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2k5f h ALA 22 CO -0.40 0.26 -0.08 0.28 0.00 0.00 0.00 179.25 179.31 2k5f h VAL 23 N 0.16 1.27 -0.95 0.00 2.07 -1.68 -1.23 116.25 115.90 2k5f h VAL 23 Ca 0.02 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2k5f h VAL 23 Cb 0.80 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2k5f h VAL 23 CO 0.06 0.44 0.57 -0.09 0.02 0.00 0.00 177.57 178.56 2k5f h ARG 24 N 0.90 1.29 -0.71 1.57 2.43 -0.10 0.56 114.38 120.33 2k5f h ARG 24 Ca 0.15 -0.12 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2k5f h ARG 24 Cb 0.64 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2k5f h ARG 24 CO 0.04 0.90 0.28 -0.09 -1.51 0.00 0.00 179.97 179.59 2k5f h ARG 25 N 1.31 1.06 -0.29 0.20 9.65 -0.68 -0.39 114.38 125.24 2k5f h ARG 25 Ca 0.34 -0.19 -0.17 0.00 -1.10 0.00 0.00 59.98 58.85 2k5f h ARG 25 Cb -0.06 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.35 2k5f h ARG 25 CO -0.06 0.87 -0.51 0.00 2.80 0.00 0.00 179.97 183.07 2k5f h ARG 26 N 1.01 0.82 -0.38 0.20 3.08 -0.61 0.24 114.38 118.74 2k5f h ARG 26 Ca 0.23 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 2k5f h ARG 26 Cb 0.21 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2k5f h ARG 26 CO -0.02 1.13 0.23 -0.07 -1.07 0.00 0.00 179.97 180.18 2k5f h LEU 27 N 0.64 0.46 -1.07 3.04 3.38 -0.69 -0.58 115.31 120.48 2k5f h LEU 27 Ca 0.02 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2k5f h LEU 27 Cb 1.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2k5f h LEU 27 CO 0.11 0.37 -0.39 0.24 0.09 0.00 0.00 178.44 178.86 2k5f h MET 28 N 0.50 0.00 -0.47 1.13 2.86 -0.94 0.90 114.93 118.91 2k5f h MET 28 Ca 0.14 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 2k5f h MET 28 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2k5f h MET 28 CO -0.03 0.39 -0.08 0.22 1.06 0.00 0.00 176.91 178.47 2k5f h ASP 29 N 0.00 0.82 -0.12 1.22 3.58 0.13 -2.87 116.42 119.18 2k5f h ASP 29 Ca -0.00 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2k5f h ASP 29 Cb 0.83 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2k5f h ASP 29 CO 0.05 0.94 -0.02 -0.07 -2.88 0.00 0.00 179.24 177.26 2k5f h LEU 30 N 0.76 0.22 0.00 2.28 3.38 -0.76 -3.47 115.31 117.72 2k5f h LEU 30 Ca 0.13 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2k5f h LEU 30 Cb 0.58 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2k5f h LEU 30 CO 0.04 0.53 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2k5f n GLY 31 N -0.15 -0.38 3.36 0.83 0.00 -0.74 -5.07 105.19 103.04 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 6.39 0.00 0.99 0.20 0.23 -4.74 118.68 121.75 2k5f s LEU 32 Ca 0.00 -2.63 0.01 0.00 0.69 0.00 0.00 54.13 52.20 2k5f s LEU 32 Cb 0.00 -2.25 -0.01 0.00 -0.43 0.00 0.00 46.19 43.50 2k5f s LEU 32 CO 0.00 -0.65 0.05 1.33 -0.29 0.00 0.00 176.35 176.79 2k5f n VAL 33 N 4.19 0.00 -2.02 1.68 0.24 -1.26 -3.21 118.33 117.95 2k5f n VAL 33 Ca 0.17 -1.64 -0.43 0.00 -2.04 0.00 0.00 64.34 60.40 2k5f n VAL 33 Cb 0.47 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 2k5f n VAL 33 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2k5f s ARG 34 N -3.16 3.74 0.00 7.34 3.52 -1.26 -1.57 118.95 127.56 2k5f s ARG 34 Ca 0.08 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.45 2k5f s ARG 34 Cb 0.00 -4.09 0.00 0.00 -1.56 0.00 0.00 34.95 29.31 2k5f s ARG 34 CO 0.05 -1.37 0.00 0.41 -0.81 0.00 0.00 175.30 173.59 2k5f n GLY 35 N 4.79 0.65 3.74 8.12 0.00 0.51 -5.02 105.19 117.98 2k5f n GLY 35 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 3.39 -0.17 4.61 0.00 -0.61 -4.79 121.76 122.19 2k5f s ALA 36 Ca 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 2k5f s ALA 36 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2k5f s ALA 36 CO 0.00 -0.22 -0.00 0.15 0.00 0.00 0.00 175.76 175.68 2k5f s LYS 37 N -0.51 3.73 0.10 0.00 1.02 -1.26 -0.35 119.74 122.47 2k5f s LYS 37 Ca 0.49 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 56.02 2k5f s LYS 37 Cb -0.30 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 2k5f s LYS 37 CO 0.36 0.19 -0.06 -0.48 -0.92 0.00 0.00 175.35 174.45 2k5f s LEU 38 N 0.52 2.46 -0.13 3.17 2.34 -0.08 -0.99 118.68 125.96 2k5f s LEU 38 Ca -0.01 -1.02 0.02 0.00 0.06 0.00 0.00 54.13 53.17 2k5f s LEU 38 Cb -0.14 -0.06 0.01 0.00 -0.56 0.00 0.00 46.19 45.44 2k5f s LEU 38 CO 0.02 -0.48 -0.19 -0.75 -1.06 0.00 0.00 176.35 173.89 2k5f s LYS 39 N -3.85 2.69 -0.18 1.48 2.20 0.12 -0.69 119.74 121.52 2k5f s LYS 39 Ca 0.13 -0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 2k5f s LYS 39 Cb 0.05 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 2k5f s LYS 39 CO -0.04 -0.07 1.48 0.08 -0.36 0.00 0.00 175.35 176.44 2k5f s VAL 40 N 0.98 3.90 -0.08 4.02 1.01 0.93 0.32 120.40 131.48 2k5f s VAL 40 Ca -0.05 1.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 2k5f s VAL 40 Cb -0.15 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2k5f s VAL 40 CO -0.04 -0.22 -0.04 -0.07 0.00 0.00 0.00 175.10 174.73 2k5f h LEU 41 N 10.66 0.00 -7.00 3.92 3.38 -1.14 0.34 115.31 125.47 2k5f h LEU 41 Ca -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2k5f h LEU 41 Cb 1.14 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 2k5f h LEU 41 CO 0.99 0.43 0.27 -0.13 0.09 0.00 0.00 178.44 180.08 2k5f s ARG 42 N -1.57 1.01 0.17 1.13 1.81 -0.87 -4.00 118.95 116.63 2k5f s ARG 42 Ca -0.04 0.07 0.05 0.00 -1.72 0.00 0.00 55.73 54.10 2k5f s ARG 42 Cb 0.00 0.47 -0.04 0.00 -0.45 0.00 0.00 34.95 34.94 2k5f s ARG 42 CO 0.05 -0.35 0.16 -0.06 -0.68 0.00 0.00 175.30 174.42 2k5f s PHE 43 N -1.76 3.18 0.84 -0.53 0.40 -1.26 -0.55 117.98 118.30 2k5f s PHE 43 Ca -0.06 -0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.14 2k5f s PHE 43 Cb -0.00 -1.52 0.10 0.00 0.51 0.00 0.00 43.02 42.10 2k5f s PHE 43 CO 0.03 0.52 1.10 0.00 0.70 0.00 0.00 175.22 177.57 2k5f s ALA 44 N -1.79 1.97 0.47 5.36 0.00 -0.57 -4.86 121.76 122.34 2k5f s ALA 44 Ca 0.31 -0.19 0.26 0.00 0.00 0.00 0.00 51.96 52.34 2k5f s ALA 44 Cb -0.10 -3.13 1.30 0.00 0.00 0.00 0.00 23.12 21.19 2k5f s ALA 44 CO 0.24 -1.98 1.81 -1.35 0.00 0.00 0.00 175.76 174.48 2k5f h PRO 45 N -1.28 0.21 -0.08 0.00 0.11 -1.91 0.32 132.00 129.37 2k5f h PRO 45 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2k5f h PRO 45 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2k5f h PRO 45 CO 0.58 0.14 0.00 1.28 -0.21 0.00 0.00 178.00 179.79 2k5f n LEU 46 N -4.43 2.35 0.00 2.35 4.77 -1.26 -4.90 117.00 115.89 2k5f n LEU 46 Ca 0.24 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2k5f n LEU 46 Cb 0.99 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 2k5f n LEU 46 CO 0.32 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 2k5f n GLY 47 N 1.28 0.84 3.28 -0.72 0.00 0.11 -5.01 105.19 104.97 2k5f n GLY 47 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.99 -0.49 1.00 1.61 2.15 -1.26 -4.48 116.67 112.21 2k5f s ASP 48 Ca 0.00 0.87 -0.01 0.00 0.43 0.00 0.00 52.55 53.84 2k5f s ASP 48 Cb 0.00 0.78 0.02 0.00 -0.30 0.00 0.00 42.92 43.42 2k5f s ASP 48 CO 0.00 -0.18 0.11 -0.81 -0.17 0.00 0.00 175.17 174.12 2k5f n PRO 49 N 3.96 -0.26 -4.84 4.34 -0.04 -1.26 -4.63 135.00 132.27 2k5f n PRO 49 Ca -0.21 -0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 62.83 2k5f n PRO 49 Cb 0.56 -0.12 -0.15 0.00 -0.04 0.00 0.00 33.50 33.75 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 -1.23 1.38 -0.23 0.52 1.01 0.16 -1.51 121.20 121.30 2k5f s ILE 50 Ca 0.06 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 2k5f s ILE 50 Cb -0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 2k5f s ILE 50 CO 0.04 0.39 0.02 -1.61 0.00 0.00 0.00 174.94 173.78 2k5f s GLU 51 N -0.38 3.57 0.03 2.79 2.02 0.29 -1.50 118.70 125.52 2k5f s GLU 51 Ca 0.06 -0.53 0.02 0.00 0.02 0.00 0.00 54.97 54.54 2k5f s GLU 51 Cb -0.07 -3.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 2k5f s GLU 51 CO -0.00 -0.13 -0.07 0.14 0.02 0.00 0.00 175.26 175.21 2k5f s VAL 52 N 1.40 0.52 -0.61 2.63 -7.23 -0.70 -0.55 120.40 115.85 2k5f s VAL 52 Ca 0.05 -0.80 -0.20 0.00 -1.81 0.00 0.00 61.98 59.22 2k5f s VAL 52 Cb -0.15 -0.54 0.09 0.00 0.56 0.00 0.00 36.38 36.35 2k5f s VAL 52 CO 0.01 -0.21 0.78 0.21 -0.31 0.00 0.00 175.10 175.58 2k5f s ASN 53 N -1.09 6.18 -0.24 4.85 3.84 0.15 0.39 114.94 129.02 2k5f s ASN 53 Ca -0.06 -1.28 -0.05 0.00 0.21 0.00 0.00 52.86 51.68 2k5f s ASN 53 Cb -0.07 -2.34 -0.00 0.00 -0.55 0.00 0.00 41.25 38.29 2k5f s ASN 53 CO 0.00 -1.20 -0.01 0.00 -2.79 0.00 0.00 177.10 173.10 2k5f n ASN 55 N 4.81 -5.52 0.00 0.00 2.85 -0.16 -1.49 115.26 115.75 2k5f n ASN 55 Ca -0.17 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 2k5f n ASN 55 Cb 0.50 -4.60 0.00 0.00 1.24 0.00 0.00 39.78 36.92 2k5f n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k5f n GLY 56 N -0.93 0.57 3.28 8.20 0.00 -1.26 -5.06 105.19 109.99 2k5f n GLY 56 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.82 2.13 -0.50 1.61 -1.94 -0.55 -5.08 119.30 114.14 2k5f s MET 57 Ca 0.00 -0.88 -0.28 0.00 -1.71 0.00 0.00 55.69 52.82 2k5f s MET 57 Cb 0.00 -1.97 0.01 0.00 2.01 0.00 0.00 34.83 34.88 2k5f s MET 57 CO 0.00 0.48 1.40 -0.51 -0.01 0.00 0.00 175.02 176.38 2k5f s LEU 58 N -0.45 3.49 -0.08 -0.03 1.43 -1.26 0.39 118.68 122.16 2k5f s LEU 58 Ca 0.06 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.68 2k5f s LEU 58 Cb -0.11 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2k5f s LEU 58 CO 0.00 -1.58 -0.08 -0.76 0.23 0.00 0.00 176.35 174.17 2k5f s LEU 59 N 5.74 3.07 -0.19 1.79 1.43 0.16 -4.95 118.68 125.74 2k5f s LEU 59 Ca 0.56 -0.09 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 2k5f s LEU 59 Cb -0.12 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 2k5f s LEU 59 CO 0.29 0.31 0.14 -0.89 0.23 0.00 0.00 176.35 176.43 2k5f s THR 60 N -0.51 5.41 0.17 5.49 2.01 -1.26 -1.72 115.64 125.22 2k5f s THR 60 Ca 0.07 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.25 2k5f s THR 60 Cb -0.12 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 2k5f s THR 60 CO 0.02 0.45 0.18 0.00 -0.69 0.00 0.00 174.62 174.58 2k5f s MET 61 N 0.26 1.11 0.37 4.92 0.23 -0.56 -5.01 119.30 120.63 2k5f s MET 61 Ca 0.09 -1.39 0.03 0.00 -1.03 0.00 0.00 55.69 53.38 2k5f s MET 61 Cb -0.11 0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 33.48 2k5f s MET 61 CO -0.01 -0.37 0.55 1.03 -2.03 0.00 0.00 175.02 174.18 2k5f s ARG 62 N -4.05 3.22 0.38 3.16 1.81 -1.26 0.38 118.95 122.58 2k5f s ARG 62 Ca 0.26 -0.63 0.06 0.00 -1.72 0.00 0.00 55.73 53.69 2k5f s ARG 62 Cb 0.05 -2.70 0.74 0.00 -0.45 0.00 0.00 34.95 32.60 2k5f s ARG 62 CO 0.04 0.00 1.98 -0.09 -0.68 0.00 0.00 175.30 176.55 2k5f h ARG 63 N 0.71 0.54 -0.41 3.54 2.43 -1.89 -3.00 114.38 116.30 2k5f h ARG 63 Ca -0.48 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 58.71 2k5f h ARG 63 Cb 1.24 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 2k5f h ARG 63 CO 0.57 0.45 -0.09 -0.97 -1.51 0.00 0.00 179.97 178.42 2k5f h ASN 64 N 0.54 -0.37 -0.49 -3.80 -1.24 -1.94 0.15 115.58 108.44 2k5f h ASN 64 Ca 0.13 0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.22 2k5f h ASN 64 Cb 0.10 0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 2k5f h ASN 64 CO -0.01 -0.13 0.14 -0.33 -1.29 0.00 0.00 177.43 175.80 2k5f h GLU 65 N 0.01 0.77 0.00 6.67 3.07 -1.89 -2.94 114.58 120.26 2k5f h GLU 65 Ca 0.20 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 2k5f h GLU 65 Cb 0.30 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 2k5f h GLU 65 CO -0.42 0.73 -0.16 0.00 -1.40 0.00 0.00 179.01 177.76 2k5f h ALA 66 N 1.00 1.58 -0.49 3.43 0.00 -1.05 0.19 119.26 123.92 2k5f h ALA 66 Ca 0.16 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2k5f h ALA 66 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2k5f h ALA 66 CO -0.00 0.20 0.01 0.93 0.00 0.00 0.00 179.25 180.39 2k5f h GLU 67 N 0.00 0.86 -0.33 0.00 5.08 -0.59 -1.23 114.58 118.38 2k5f h GLU 67 Ca -0.00 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 57.97 2k5f h GLU 67 Cb 0.32 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k5f h GLU 67 CO 0.02 0.89 -0.30 0.78 -1.00 0.00 0.00 179.01 179.40 2k5f h GLY 68 N 0.72 0.75 -4.31 -3.84 0.00 -0.97 -3.45 103.07 91.97 2k5f h GLY 68 Ca 0.14 -0.68 -0.53 0.00 0.00 0.00 0.00 47.33 46.26 2k5f h GLY 68 CO 0.02 0.62 0.53 -0.42 0.00 0.00 0.00 176.54 177.29 2k5f s ILE 69 N -4.45 3.92 -0.17 2.60 1.01 0.48 -1.81 121.20 122.79 2k5f s ILE 69 Ca -0.09 1.49 -0.04 0.00 0.00 0.00 0.00 60.65 62.02 2k5f s ILE 69 Cb 0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2k5f s ILE 69 CO 0.83 0.18 -0.04 -0.89 0.00 0.00 0.00 174.94 175.02 2k5f s THR 70 N 0.50 3.77 0.14 2.92 2.01 0.13 -0.64 115.64 124.48 2k5f s THR 70 Ca 0.55 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.19 2k5f s THR 70 Cb -0.30 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2k5f s THR 70 CO 0.32 0.48 -0.09 0.68 -0.69 0.00 0.00 174.62 175.33 2k5f s VAL 71 N 0.55 1.04 -0.09 3.82 -7.23 0.07 -1.39 120.40 117.18 2k5f s VAL 71 Ca -0.03 -2.03 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2k5f s VAL 71 Cb -0.14 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 34.96 2k5f s VAL 71 CO 0.03 -0.75 -0.19 -2.28 -0.31 0.00 0.00 175.10 171.60 2k5f s HIS 72 N -3.41 2.13 0.14 2.82 5.65 0.32 -3.99 115.29 118.94 2k5f s HIS 72 Ca 0.16 -0.86 -0.31 0.00 0.25 0.00 0.00 55.06 54.30 2k5f s HIS 72 Cb 0.03 -1.46 -0.09 0.00 -1.18 0.00 0.00 32.58 29.88 2k5f s HIS 72 CO -0.00 -0.38 1.54 0.42 -0.65 0.00 0.00 174.74 175.67 2k5f s ILE 73 N 0.50 2.85 -1.25 0.89 1.01 -1.26 0.34 121.20 124.27 2k5f s ILE 73 Ca -0.16 0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 2k5f s ILE 73 Cb -0.17 -3.36 0.10 0.00 0.01 0.00 0.00 42.46 39.04 2k5f s ILE 73 CO 0.06 0.04 1.62 -0.76 0.00 0.00 0.00 174.94 175.90 2k5f s LEU 74 N 1.38 4.23 0.06 2.97 1.43 -0.64 -4.85 118.68 123.25 2k5f s LEU 74 Ca 0.69 -2.58 -0.27 0.00 -1.03 0.00 0.00 54.13 50.94 2k5f s LEU 74 Cb -0.41 -2.52 0.10 0.00 0.03 0.00 0.00 46.19 43.38 2k5f s LEU 74 CO 0.31 -1.05 1.18 0.00 0.23 0.00 0.00 176.35 177.02 2k5f s ALA 75 N 3.40 -2.06 -0.24 4.21 0.00 -1.26 -4.92 121.76 120.88 2k5f s ALA 75 Ca 0.50 0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 2k5f s ALA 75 Cb 0.02 0.63 0.06 0.00 0.00 0.00 0.00 23.12 23.83 2k5f s ALA 75 CO 0.05 -1.08 2.43 0.41 0.00 0.00 0.00 175.76 177.57 2k5f n GLY 76 N -0.64 3.68 2.86 0.00 0.00 -1.26 -4.77 105.19 105.06 2k5f n GLY 76 Ca -0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 2k5f n GLY 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5f s ASP 77 N 0.85 4.10 0.36 1.61 2.15 -1.26 -5.10 116.67 119.38 2k5f s ASP 77 Ca 0.37 -1.59 -0.01 0.00 0.43 0.00 0.00 52.55 51.74 2k5f s ASP 77 Cb 0.24 -1.13 0.00 0.00 -0.30 0.00 0.00 42.92 41.74 2k5f s ASP 77 CO -0.05 -0.35 0.48 -1.83 -0.17 0.00 0.00 175.17 173.24 2k5f s GLU 78 N 1.39 1.97 0.00 4.34 -1.05 -1.26 -4.90 118.70 119.19 2k5f s GLU 78 Ca 0.05 -1.83 0.00 0.00 -0.15 0.00 0.00 54.97 53.04 2k5f s GLU 78 Cb -0.18 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 2k5f s GLU 78 CO -0.15 -0.81 0.00 0.41 0.95 0.00 0.00 175.26 175.66 2k5f n GLY 79 N -0.60 -2.07 2.75 -3.83 0.00 -1.26 -5.06 105.19 95.13 2k5f n GLY 79 Ca 0.02 0.73 -0.04 0.00 0.00 0.00 0.00 46.02 46.73 2k5f n GLY 79 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k5f n HIS 80 N 0.00 -3.63 -2.38 1.61 1.44 -1.26 -5.14 115.22 105.86 2k5f n HIS 80 Ca 0.00 -1.34 -0.42 0.00 -2.01 0.00 0.00 57.72 53.95 2k5f n HIS 80 Cb 0.00 1.47 -0.03 0.00 0.12 0.00 0.00 29.99 31.55 2k5f n HIS 80 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 2k5f s PRO 81 N 0.87 4.40 0.15 -1.40 0.02 -1.26 -4.60 135.00 133.17 2k5f s PRO 81 Ca 0.30 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2k5f s PRO 81 Cb 0.02 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2k5f s PRO 81 CO -0.06 -0.33 0.00 0.72 -0.33 0.00 0.00 177.00 177.00 2k5f n HIS 82 N 4.23 -3.13 0.00 6.54 8.25 -1.26 -4.55 115.22 125.30 2k5f n HIS 82 Ca 0.10 1.84 0.00 0.00 -0.26 0.00 0.00 57.72 59.39 2k5f n HIS 82 Cb 0.46 -3.04 0.00 0.00 1.12 0.00 0.00 29.99 28.53 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 1.00 0.53 3.60 -1.41 0.00 -1.26 -5.06 105.19 102.58 2k5f n GLY 83 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.61 2.93 0.10 1.61 -0.11 -1.26 -5.04 118.94 119.78 2k5f s TRP 84 Ca 0.00 0.00 -0.26 0.00 1.22 0.00 0.00 56.10 57.07 2k5f s TRP 84 Cb 0.00 -1.66 -0.11 0.00 -1.50 0.00 0.00 33.47 30.19 2k5f s TRP 84 CO 0.00 0.37 1.68 -1.00 -4.62 0.00 0.00 176.95 173.37 2k5f h PRO 85 N 4.84 -0.33 0.00 5.86 0.13 -2.06 -3.47 132.00 136.96 2k5f h PRO 85 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k5f h PRO 85 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k5f h PRO 85 CO 0.53 -0.22 0.00 0.41 -0.23 0.00 0.00 178.00 178.49 2k5f n GLY 86 N -1.29 1.14 1.68 1.56 0.00 -1.26 -4.89 105.19 102.13 2k5f n GLY 86 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.61 -3.65 -2.59 1.61 7.35 -1.26 -4.89 117.46 112.43 2k5f n PHE 87 Ca 0.00 2.20 -0.43 0.00 -0.76 0.00 0.00 57.45 58.46 2k5f n PHE 87 Cb 0.00 -3.26 -0.02 0.00 0.35 0.00 0.00 39.48 36.55 2k5f n PHE 87 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2k5f s ARG 88 N -1.25 4.25 0.31 -4.13 3.00 -1.26 -5.00 118.95 114.87 2k5f s ARG 88 Ca 0.00 1.44 -0.28 0.00 -1.00 0.00 0.00 55.73 55.90 2k5f s ARG 88 Cb 0.00 -3.68 -0.09 0.00 0.00 0.00 0.00 34.95 31.18 2k5f s ARG 88 CO 0.00 -0.66 1.07 0.50 0.00 0.00 0.00 175.30 176.21 2k5f s ARG 89 N 3.30 4.52 -0.05 5.12 3.52 -1.26 -5.05 118.95 129.05 2k5f s ARG 89 Ca 0.47 1.68 -0.11 0.00 -0.13 0.00 0.00 55.73 57.63 2k5f s ARG 89 Cb -0.17 -3.00 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 2k5f s ARG 89 CO 0.09 0.14 0.27 -0.98 -0.81 0.00 0.00 175.30 174.00 2k5f s ARG 90 N -1.75 0.50 0.02 5.12 3.03 -1.26 -5.17 118.95 119.44 2k5f s ARG 90 Ca 0.48 0.00 -0.28 0.00 2.03 0.00 0.00 55.73 57.96 2k5f s ARG 90 Cb -0.28 0.23 0.10 0.00 -1.03 0.00 0.00 34.95 33.96 2k5f s ARG 90 CO 0.36 -0.11 0.94 -3.38 -1.13 0.00 0.00 175.30 171.97 2k5f s HIS 91 N -0.75 -0.27 0.37 5.89 -3.43 -1.26 -5.09 115.29 110.74 2k5f s HIS 91 Ca -0.08 0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 2k5f s HIS 91 Cb -0.04 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 2k5f s HIS 91 CO 0.02 -0.58 0.00 -2.13 -2.00 0.00 0.00 174.74 170.05 2k5f n ARG 92 N -0.30 0.00 -2.80 -0.38 0.63 -1.26 -5.12 116.66 107.44 2k5f n ARG 92 Ca -0.08 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.82 2k5f n ARG 92 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.53 2k5f n ARG 92 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2k5f n PHE 93 N -3.27 -3.67 0.01 -0.14 7.35 -1.26 -4.98 117.46 111.48 2k5f n PHE 93 Ca 0.00 1.58 -0.11 0.00 -0.76 0.00 0.00 57.45 58.16 2k5f n PHE 93 Cb 0.00 -3.89 -0.09 0.00 0.35 0.00 0.00 39.48 35.86 2k5f n PHE 93 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2k5f h GLY 94 N 2.73 -0.12 -5.17 7.13 0.00 -2.08 -3.50 103.07 102.06 2k5f h GLY 94 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k5f h GLY 94 CO 0.13 -0.04 -1.10 1.17 0.00 0.00 0.00 176.54 176.70 2k5f n LYS 95 N -4.83 -3.59 -3.66 4.80 4.81 -1.26 -4.99 118.16 109.44 2k5f n LYS 95 Ca -0.08 2.85 -0.36 0.00 -0.87 0.00 0.00 58.31 59.86 2k5f n LYS 95 Cb 0.29 -5.18 -0.07 0.00 0.02 0.00 0.00 35.03 30.09 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 -1.45 4.16 -0.48 1.64 3.52 -1.26 -5.05 118.95 120.03 2k5f s ARG 96 Ca -0.05 -0.08 -0.15 0.00 -0.13 0.00 0.00 55.73 55.32 2k5f s ARG 96 Cb 0.00 -3.40 0.08 0.00 -1.56 0.00 0.00 34.95 30.07 2k5f s ARG 96 CO 0.76 0.32 0.40 0.00 -0.81 0.00 0.00 175.30 175.97 2k5f s ALA 97 N 0.28 3.55 -0.30 6.12 0.00 -1.26 -5.05 121.76 125.11 2k5f s ALA 97 Ca 0.12 -2.18 -0.08 0.00 0.00 0.00 0.00 51.96 49.82 2k5f s ALA 97 Cb -0.12 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 2k5f s ALA 97 CO 0.01 -1.76 0.12 -1.17 0.00 0.00 0.00 175.76 172.95 2k5f s LEU 98 N 1.62 3.93 -0.43 0.00 0.20 -1.26 -5.06 118.68 117.69 2k5f s LEU 98 Ca 0.04 -0.54 -0.24 0.00 0.69 0.00 0.00 54.13 54.08 2k5f s LEU 98 Cb -0.25 -1.95 0.02 0.00 -0.43 0.00 0.00 46.19 43.58 2k5f s LEU 98 CO 0.06 -0.17 0.84 -1.61 -0.29 0.00 0.00 176.35 175.18 2k5f s GLU 99 N 1.58 3.56 -0.16 1.98 2.02 -1.26 -5.00 118.70 121.42 2k5f s GLU 99 Ca 0.04 0.13 -0.04 0.00 0.02 0.00 0.00 54.97 55.12 2k5f s GLU 99 Cb -0.17 -3.89 0.06 0.00 0.10 0.00 0.00 34.13 30.23 2k5f s GLU 99 CO 0.05 -1.07 0.08 -1.58 0.02 0.00 0.00 175.26 172.75 2k5f s HIS 100 N 3.41 0.27 0.47 1.61 2.46 -1.26 -5.14 115.29 117.11 2k5f s HIS 100 Ca 0.33 -0.32 -0.17 0.00 0.47 0.00 0.00 55.06 55.37 2k5f s HIS 100 Cb -0.12 -0.71 -0.09 0.00 -0.13 0.00 0.00 32.58 31.54 2k5f s HIS 100 CO 0.22 -0.49 0.95 -1.58 -2.47 0.00 0.00 174.74 171.37 2k5f s HIS 101 N 2.11 3.41 0.12 3.88 2.46 -1.26 -4.98 115.29 121.02 2k5f s HIS 101 Ca 0.02 1.47 -0.24 0.00 0.47 0.00 0.00 55.06 56.78 2k5f s HIS 101 Cb -0.16 -2.77 -0.06 0.00 -0.13 0.00 0.00 32.58 29.46 2k5f s HIS 101 CO -0.08 -0.25 1.66 1.25 -2.47 0.00 0.00 174.74 174.85 2k5f h HIS 102 N 1.32 -0.51 0.00 3.88 2.76 -2.05 -3.45 115.15 117.10 2k5f h HIS 102 Ca -0.48 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2k5f h HIS 102 Cb 1.18 0.23 0.00 0.00 1.55 0.00 0.00 27.41 30.37 2k5f h HIS 102 CO 0.63 -0.28 0.00 1.58 -1.30 0.00 0.00 177.93 178.56 2k5f n HIS 103 N -5.32 0.00 -4.42 5.26 -0.00 -1.26 -4.83 115.22 104.65 2k5f n HIS 103 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 2k5f n HIS 103 Cb 0.24 -0.12 0.00 0.00 -0.12 0.00 0.00 29.99 29.99 2k5f n HIS 103 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5f n HIS 104 N -0.83 -0.90 1.88 1.57 8.25 -1.26 -5.36 115.22 118.58 2k5f n HIS 104 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 2k5f n HIS 104 Cb 0.00 0.10 0.89 0.00 1.12 0.00 0.00 29.99 32.11 2k5f n HIS 104 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70