#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 4.25 0.36 2.12 3.01 -1.26 0.54 119.74 128.76 2k5f s LYS 2 Ca 0.00 0.90 0.08 0.00 -1.01 0.00 0.00 55.97 55.94 2k5f s LYS 2 Cb 0.00 -2.77 0.68 0.00 -1.01 0.00 0.00 37.83 34.73 2k5f s LYS 2 CO 0.00 0.32 1.85 1.25 0.51 0.00 0.00 175.35 179.29 2k5f h LEU 3 N 3.13 0.26 -0.39 3.17 5.85 -0.65 -1.18 115.31 125.50 2k5f h LEU 3 Ca -0.48 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2k5f h LEU 3 Cb 1.19 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2k5f h LEU 3 CO 0.65 0.47 0.00 -0.24 -0.34 0.00 0.00 178.44 178.98 2k5f n SER 4 N -4.21 0.75 -0.28 1.25 2.88 -0.66 -2.54 113.62 110.80 2k5f n SER 4 Ca -0.01 0.63 0.14 0.00 -1.33 0.00 0.00 58.87 58.30 2k5f n SER 4 Cb 0.32 -0.81 0.52 0.00 -0.75 0.00 0.00 64.21 63.49 2k5f n SER 4 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k5f n GLU 5 N -2.26 1.11 -1.65 -1.46 -0.58 -0.45 -4.89 120.64 110.46 2k5f n GLU 5 Ca 0.04 -0.57 -0.29 0.00 -0.42 0.00 0.00 57.16 55.91 2k5f n GLU 5 Cb 0.32 -1.49 0.17 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.28 2.10 0.12 -4.62 1.43 -1.05 -4.93 118.68 109.43 2k5f s LEU 6 Ca 0.32 0.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 2k5f s LEU 6 Cb 0.20 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2k5f s LEU 6 CO 0.43 -2.80 -0.08 -0.54 0.23 0.00 0.00 176.35 173.59 2k5f s LYS 7 N -5.56 0.93 -0.27 1.70 1.02 -1.26 -5.06 119.74 111.23 2k5f s LYS 7 Ca 0.68 -1.38 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 2k5f s LYS 7 Cb -0.09 -0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 36.78 2k5f s LYS 7 CO 0.53 0.03 2.14 0.00 -0.92 0.00 0.00 175.35 177.13 2k5f s ALA 8 N -3.45 2.65 0.00 5.17 0.00 -1.26 -1.02 121.76 123.85 2k5f s ALA 8 Ca 0.14 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2k5f s ALA 8 Cb 0.04 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2k5f s ALA 8 CO -0.02 -2.93 0.00 0.41 0.00 0.00 0.00 175.76 173.21 2k5f n GLY 9 N 5.72 1.01 3.79 0.00 0.00 -0.02 -5.00 105.19 110.69 2k5f n GLY 9 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.08 6.20 -0.04 1.61 1.11 -0.19 -4.72 116.67 119.56 2k5f s ASP 10 Ca 0.00 1.99 0.06 0.00 0.18 0.00 0.00 52.55 54.78 2k5f s ASP 10 Cb 0.00 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.41 2k5f s ASP 10 CO 0.00 -0.88 -0.22 -0.13 1.18 0.00 0.00 175.17 175.12 2k5f s ARG 11 N -3.24 2.10 0.11 8.23 0.52 -1.26 -1.12 118.95 124.29 2k5f s ARG 11 Ca 0.69 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 55.07 2k5f s ARG 11 Cb -0.18 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 2k5f s ARG 11 CO 0.22 0.38 0.09 0.00 0.02 0.00 0.00 175.30 176.00 2k5f s ALA 12 N -0.23 0.46 -0.18 2.13 0.00 -0.82 -0.00 121.76 123.12 2k5f s ALA 12 Ca 0.01 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 2k5f s ALA 12 Cb -0.11 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2k5f s ALA 12 CO 0.02 -0.48 -0.04 -2.00 0.00 0.00 0.00 175.76 173.25 2k5f s GLU 13 N -3.97 3.55 -0.10 0.00 2.12 0.91 -1.25 118.70 119.96 2k5f s GLU 13 Ca 0.15 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 2k5f s GLU 13 Cb 0.07 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 2k5f s GLU 13 CO -0.04 0.09 1.46 0.08 -0.54 0.00 0.00 175.26 176.31 2k5f s VAL 14 N 0.75 3.91 -0.16 3.70 1.01 0.71 -0.56 120.40 129.77 2k5f s VAL 14 Ca -0.02 1.12 0.19 0.00 0.00 0.00 0.00 61.98 63.27 2k5f s VAL 14 Cb -0.15 -3.72 -0.27 0.00 0.00 0.00 0.00 36.38 32.24 2k5f s VAL 14 CO 0.02 -0.09 0.19 0.35 0.00 0.00 0.00 175.10 175.56 2k5f n THR 15 N 5.38 1.06 -3.52 3.92 -2.24 0.47 0.19 114.28 119.54 2k5f n THR 15 Ca 0.15 -0.77 -0.14 0.00 -2.27 0.00 0.00 64.05 61.02 2k5f n THR 15 Cb 0.44 -0.36 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 2k5f n THR 15 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k5f s SER 16 N -5.27 -0.55 -0.06 3.42 0.15 -0.85 -4.81 113.70 105.73 2k5f s SER 16 Ca -0.09 0.48 0.03 0.00 0.70 0.00 0.00 55.95 57.07 2k5f s SER 16 Cb 0.08 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2k5f s SER 16 CO 0.85 -0.59 -0.15 -0.69 1.20 0.00 0.00 173.24 173.86 2k5f s VAL 17 N -1.67 1.35 -0.24 4.45 1.01 -1.26 0.27 120.40 124.31 2k5f s VAL 17 Ca -0.06 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2k5f s VAL 17 Cb -0.00 -1.18 0.07 0.00 0.00 0.00 0.00 36.38 35.26 2k5f s VAL 17 CO 0.03 0.40 0.04 0.00 0.00 0.00 0.00 175.10 175.57 2k5f s ALA 18 N 0.33 1.36 0.31 5.51 0.00 -0.49 -4.95 121.76 123.83 2k5f s ALA 18 Ca -0.10 -1.13 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 2k5f s ALA 18 Cb -0.14 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.66 2k5f s ALA 18 CO 0.03 -1.33 0.80 0.00 0.00 0.00 0.00 175.76 175.26 2k5f s ALA 19 N 1.69 -1.05 0.47 0.00 0.00 -1.26 -4.12 121.76 117.48 2k5f s ALA 19 Ca 0.01 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.24 2k5f s ALA 19 Cb -0.17 0.74 -0.08 0.00 0.00 0.00 0.00 23.12 23.60 2k5f s ALA 19 CO -0.13 -1.02 1.27 0.39 0.00 0.00 0.00 175.76 176.27 2k5f n GLU 20 N -0.51 1.81 -0.30 0.00 4.71 -1.26 -4.64 120.64 120.45 2k5f n GLU 20 Ca -0.06 0.65 0.06 0.00 -0.01 0.00 0.00 57.16 57.80 2k5f n GLU 20 Cb 0.60 -2.42 0.21 0.00 -1.01 0.00 0.00 31.44 28.82 2k5f n GLU 20 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2k5f h PRO 21 N 1.82 0.71 -0.49 3.49 0.13 -2.01 0.27 132.00 135.93 2k5f h PRO 21 Ca -0.49 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.52 2k5f h PRO 21 Cb 1.30 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2k5f h PRO 21 CO 0.59 0.47 -0.03 0.00 -0.23 0.00 0.00 178.00 178.80 2k5f h ALA 22 N 1.52 1.04 -0.03 -0.56 0.00 -1.99 -0.08 119.26 119.17 2k5f h ALA 22 Ca 0.45 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2k5f h ALA 22 Cb 0.54 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k5f h ALA 22 CO -0.31 0.59 -0.37 0.28 0.00 0.00 0.00 179.25 179.44 2k5f h VAL 23 N 0.77 1.47 -0.35 0.00 2.07 -1.38 -2.73 116.25 116.09 2k5f h VAL 23 Ca 0.14 -1.90 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 2k5f h VAL 23 Cb 0.50 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2k5f h VAL 23 CO 0.03 0.54 0.05 -0.09 0.02 0.00 0.00 177.57 178.11 2k5f h ARG 24 N -0.27 0.53 -0.70 1.57 2.43 -0.51 -1.08 114.38 116.35 2k5f h ARG 24 Ca -0.04 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 2k5f h ARG 24 Cb 1.08 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 2k5f h ARG 24 CO 0.07 0.52 0.36 -0.09 -1.51 0.00 0.00 179.97 179.32 2k5f h ARG 25 N 0.51 0.99 -0.56 0.20 9.65 -0.99 0.17 114.38 124.35 2k5f h ARG 25 Ca 0.12 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 2k5f h ARG 25 Cb 0.26 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 2k5f h ARG 25 CO 0.00 0.76 0.02 0.00 2.80 0.00 0.00 179.97 183.55 2k5f h ARG 26 N 0.96 0.94 -0.12 0.20 3.08 -1.00 0.29 114.38 118.74 2k5f h ARG 26 Ca 0.24 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2k5f h ARG 26 Cb 0.08 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2k5f h ARG 26 CO -0.03 0.92 0.02 -0.07 -1.07 0.00 0.00 179.97 179.74 2k5f h LEU 27 N 0.87 0.19 -0.98 3.04 3.38 -0.78 -1.95 115.31 119.08 2k5f h LEU 27 Ca 0.17 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2k5f h LEU 27 Cb 0.49 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2k5f h LEU 27 CO 0.02 0.41 0.11 0.24 0.09 0.00 0.00 178.44 179.31 2k5f h MET 28 N -0.03 0.85 -0.47 1.13 2.86 -0.50 0.22 114.93 119.00 2k5f h MET 28 Ca 0.04 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2k5f h MET 28 Cb 0.30 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2k5f h MET 28 CO 0.00 0.78 0.27 0.22 1.06 0.00 0.00 176.91 179.25 2k5f h ASP 29 N 0.82 0.44 -0.71 1.22 1.82 -0.29 -2.70 116.42 117.02 2k5f h ASP 29 Ca 0.18 0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.75 2k5f h ASP 29 Cb 0.33 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 2k5f h ASP 29 CO 0.00 0.31 0.17 -0.07 -1.61 0.00 0.00 179.24 178.04 2k5f h LEU 30 N 0.55 1.08 0.00 2.28 3.38 -0.97 -3.46 115.31 118.17 2k5f h LEU 30 Ca 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k5f h LEU 30 Cb 0.02 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2k5f h LEU 30 CO -0.09 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.09 2k5f n GLY 31 N -0.67 -0.77 3.49 0.83 0.00 -0.84 -4.91 105.19 102.31 2k5f n GLY 31 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2k5f n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k5f s LEU 32 N 0.00 4.08 0.34 0.99 0.20 0.01 -4.85 118.68 119.45 2k5f s LEU 32 Ca 0.00 -1.14 0.04 0.00 0.69 0.00 0.00 54.13 53.72 2k5f s LEU 32 Cb 0.00 -2.47 -0.03 0.00 -0.43 0.00 0.00 46.19 43.25 2k5f s LEU 32 CO 0.00 -1.48 0.17 0.68 -0.29 0.00 0.00 176.35 175.44 2k5f s VAL 33 N 4.34 0.35 0.07 1.68 -7.23 -1.26 -3.23 120.40 115.12 2k5f s VAL 33 Ca 0.31 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 2k5f s VAL 33 Cb -0.10 -2.47 -0.09 0.00 0.56 0.00 0.00 36.38 34.29 2k5f s VAL 33 CO 0.04 0.00 1.79 -0.60 -0.31 0.00 0.00 175.10 176.02 2k5f s ARG 34 N -3.72 4.16 0.00 4.82 3.52 -1.26 -1.52 118.95 124.95 2k5f s ARG 34 Ca 0.33 2.48 0.00 0.00 -0.13 0.00 0.00 55.73 58.41 2k5f s ARG 34 Cb 0.04 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 2k5f s ARG 34 CO 0.19 -0.83 0.00 0.41 -0.81 0.00 0.00 175.30 174.25 2k5f n GLY 35 N 4.22 1.23 3.69 8.12 0.00 0.13 -5.01 105.19 117.57 2k5f n GLY 35 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.22 3.53 -0.18 4.61 0.00 -0.58 -4.73 121.76 122.18 2k5f s ALA 36 Ca 0.00 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 2k5f s ALA 36 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2k5f s ALA 36 CO 0.00 -0.78 0.04 0.15 0.00 0.00 0.00 175.76 175.17 2k5f s LYS 37 N 2.08 3.86 0.06 0.00 1.02 -1.26 -0.21 119.74 125.30 2k5f s LYS 37 Ca 0.60 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.21 2k5f s LYS 37 Cb -0.29 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 2k5f s LYS 37 CO 0.25 0.22 -0.08 -0.48 -0.92 0.00 0.00 175.35 174.34 2k5f s LEU 38 N 0.50 2.34 -0.21 3.17 2.34 -0.38 -3.48 118.68 122.95 2k5f s LEU 38 Ca 0.01 -0.70 -0.06 0.00 0.06 0.00 0.00 54.13 53.44 2k5f s LEU 38 Cb -0.13 -0.17 -0.03 0.00 -0.56 0.00 0.00 46.19 45.30 2k5f s LEU 38 CO 0.01 -0.27 0.04 -0.75 -1.06 0.00 0.00 176.35 174.32 2k5f s LYS 39 N -2.29 3.74 -0.09 1.48 2.20 -0.31 -1.94 119.74 122.53 2k5f s LYS 39 Ca -0.03 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 2k5f s LYS 39 Cb -0.05 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 2k5f s LYS 39 CO -0.01 0.05 1.38 0.08 -0.36 0.00 0.00 175.35 176.48 2k5f s VAL 40 N 0.95 3.98 -0.10 4.02 1.01 -0.28 0.04 120.40 130.03 2k5f s VAL 40 Ca 0.03 1.25 -0.07 0.00 0.00 0.00 0.00 61.98 63.19 2k5f s VAL 40 Cb -0.14 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2k5f s VAL 40 CO 0.02 -0.07 -0.14 0.18 0.00 0.00 0.00 175.10 175.09 2k5f n LEU 41 N 6.24 1.15 -3.91 3.92 4.77 0.43 -0.84 117.00 128.75 2k5f n LEU 41 Ca 0.14 0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 56.44 2k5f n LEU 41 Cb 0.44 -0.71 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 2k5f n LEU 41 CO 0.58 -0.45 -0.17 -0.60 -1.33 0.00 0.00 177.39 175.42 2k5f s ARG 42 N -1.90 0.70 0.01 3.23 6.06 -0.54 -4.57 118.95 121.94 2k5f s ARG 42 Ca -0.12 -0.87 0.07 0.00 -2.50 0.00 0.00 55.73 52.31 2k5f s ARG 42 Cb 0.02 0.28 -0.02 0.00 0.06 0.00 0.00 34.95 35.28 2k5f s ARG 42 CO 0.18 -0.19 -0.22 -0.06 -2.50 0.00 0.00 175.30 172.51 2k5f s PHE 43 N -3.22 1.92 0.90 5.12 0.08 -1.26 -0.76 117.98 120.76 2k5f s PHE 43 Ca 0.00 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 2k5f s PHE 43 Cb 0.02 -1.20 0.13 0.00 -0.57 0.00 0.00 43.02 41.40 2k5f s PHE 43 CO -0.07 0.02 1.09 0.00 -0.10 0.00 0.00 175.22 176.16 2k5f s ALA 44 N -0.62 1.45 -2.00 5.36 0.00 -0.76 -4.86 121.76 120.33 2k5f s ALA 44 Ca 0.08 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.21 2k5f s ALA 44 Cb -0.09 -3.27 0.24 0.00 0.00 0.00 0.00 23.12 20.01 2k5f s ALA 44 CO 0.00 -2.48 0.68 -0.35 0.00 0.00 0.00 175.76 173.62 2k5f n PRO 45 N -3.99 0.14 -0.26 0.00 -0.04 -1.26 -0.93 135.00 128.66 2k5f n PRO 45 Ca 0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 2k5f n PRO 45 Cb 0.54 -1.45 0.03 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.95 0.76 -0.51 1.53 4.77 -1.26 -4.99 117.00 116.35 2k5f n LEU 46 Ca 0.03 -1.41 -0.07 0.00 -0.03 0.00 0.00 56.01 54.53 2k5f n LEU 46 Cb 0.01 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 2k5f n LEU 46 CO 0.02 0.34 -0.06 0.61 -1.33 0.00 0.00 177.39 176.97 2k5f n GLY 47 N -0.40 0.89 3.53 -0.72 0.00 -0.11 -4.97 105.19 103.41 2k5f n GLY 47 Ca 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.86 -0.59 0.92 1.61 -1.08 -1.26 -4.55 116.67 108.85 2k5f s ASP 48 Ca 0.00 0.87 -0.14 0.00 -0.52 0.00 0.00 52.55 52.76 2k5f s ASP 48 Cb 0.00 1.50 0.17 0.00 -1.46 0.00 0.00 42.92 43.13 2k5f s ASP 48 CO 0.00 -0.13 1.28 -2.16 0.52 0.00 0.00 175.17 174.68 2k5f s PRO 49 N 1.98 0.95 -0.09 4.34 0.04 -1.26 -4.63 135.00 136.34 2k5f s PRO 49 Ca -0.06 -0.35 0.02 0.00 0.04 0.00 0.00 61.00 60.64 2k5f s PRO 49 Cb -0.05 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 2k5f s PRO 49 CO -0.17 -2.20 -0.12 0.42 0.04 0.00 0.00 177.00 174.97 2k5f s ILE 50 N -3.79 3.17 -0.24 0.56 1.01 0.87 -1.83 121.20 120.96 2k5f s ILE 50 Ca 0.71 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 2k5f s ILE 50 Cb -0.05 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 2k5f s ILE 50 CO 0.52 0.56 -0.00 -1.61 0.00 0.00 0.00 174.94 174.41 2k5f s GLU 51 N -0.30 3.41 0.06 2.79 2.02 0.06 -1.61 118.70 125.13 2k5f s GLU 51 Ca 0.03 -0.62 0.04 0.00 0.02 0.00 0.00 54.97 54.45 2k5f s GLU 51 Cb -0.13 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 2k5f s GLU 51 CO 0.03 -0.22 -0.13 0.14 0.02 0.00 0.00 175.26 175.10 2k5f s VAL 52 N 1.51 0.97 -0.52 2.63 -7.23 -0.03 -0.43 120.40 117.30 2k5f s VAL 52 Ca 0.06 -1.18 -0.18 0.00 -1.81 0.00 0.00 61.98 58.87 2k5f s VAL 52 Cb -0.15 -0.94 0.08 0.00 0.56 0.00 0.00 36.38 35.94 2k5f s VAL 52 CO -0.01 -0.21 0.56 0.21 -0.31 0.00 0.00 175.10 175.34 2k5f s ASN 53 N -1.56 6.19 -0.46 4.85 3.84 0.11 0.40 114.94 128.31 2k5f s ASN 53 Ca -0.03 -1.30 -0.10 0.00 0.21 0.00 0.00 52.86 51.64 2k5f s ASN 53 Cb -0.09 -2.25 0.10 0.00 -0.55 0.00 0.00 41.25 38.46 2k5f s ASN 53 CO 0.02 -0.87 0.33 0.00 -2.79 0.00 0.00 177.10 173.79 2k5f n ASN 55 N 4.95 -5.66 0.00 0.00 3.02 -1.23 -1.07 115.26 115.28 2k5f n ASN 55 Ca -0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2k5f n ASN 55 Cb 0.42 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.90 2k5f n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5f n GLY 56 N -1.03 0.59 3.37 7.41 0.00 -1.26 -5.05 105.19 109.22 2k5f n GLY 56 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.81 3.30 -0.40 1.61 -1.94 -0.23 -5.06 119.30 115.77 2k5f s MET 57 Ca 0.00 -0.71 -0.29 0.00 -1.71 0.00 0.00 55.69 52.99 2k5f s MET 57 Cb 0.00 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.56 2k5f s MET 57 CO 0.00 -0.32 1.30 -0.51 -0.01 0.00 0.00 175.02 175.47 2k5f s LEU 58 N 1.53 3.68 -0.17 -0.03 1.02 -1.26 0.11 118.68 123.57 2k5f s LEU 58 Ca 0.04 0.83 -0.04 0.00 0.02 0.00 0.00 54.13 54.98 2k5f s LEU 58 Cb -0.16 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 2k5f s LEU 58 CO 0.02 -1.28 -0.02 -0.76 0.02 0.00 0.00 176.35 174.33 2k5f s LEU 59 N 4.85 3.30 -0.20 1.79 1.43 0.16 -4.93 118.68 125.08 2k5f s LEU 59 Ca 0.56 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.52 2k5f s LEU 59 Cb -0.13 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2k5f s LEU 59 CO 0.29 0.15 -0.10 -0.89 0.23 0.00 0.00 176.35 176.04 2k5f s THR 60 N 0.47 2.94 0.35 5.49 2.01 -1.26 -0.85 115.64 124.79 2k5f s THR 60 Ca -0.03 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 2k5f s THR 60 Cb -0.14 -2.31 0.01 0.00 0.01 0.00 0.00 72.50 70.07 2k5f s THR 60 CO 0.02 0.47 0.49 0.00 -0.69 0.00 0.00 174.62 174.91 2k5f s MET 61 N 1.35 1.93 0.41 4.92 0.23 -0.63 -4.94 119.30 122.57 2k5f s MET 61 Ca 0.04 -1.75 -0.01 0.00 -1.03 0.00 0.00 55.69 52.95 2k5f s MET 61 Cb -0.14 0.45 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 2k5f s MET 61 CO -0.06 -0.81 0.64 1.03 -2.03 0.00 0.00 175.02 173.79 2k5f s ARG 62 N -3.01 3.33 0.27 3.16 1.81 -1.26 -0.09 118.95 123.16 2k5f s ARG 62 Ca 0.30 -0.30 -0.04 0.00 -1.72 0.00 0.00 55.73 53.97 2k5f s ARG 62 Cb -0.01 -2.57 0.35 0.00 -0.45 0.00 0.00 34.95 32.28 2k5f s ARG 62 CO 0.20 -0.08 1.90 -0.09 -0.68 0.00 0.00 175.30 176.55 2k5f h ARG 63 N 0.52 1.09 -0.69 3.54 2.43 -1.95 -2.07 114.38 117.25 2k5f h ARG 63 Ca -0.48 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 58.61 2k5f h ARG 63 Cb 1.23 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 2k5f h ARG 63 CO 0.60 0.80 0.45 -2.95 -1.51 0.00 0.00 179.97 177.36 2k5f h ASN 64 N 1.10 0.69 -0.31 -3.80 7.08 -1.95 0.22 115.58 118.61 2k5f h ASN 64 Ca 0.28 -0.01 -0.08 0.00 -3.08 0.00 0.00 56.30 53.42 2k5f h ASN 64 Cb 0.02 -0.16 -0.01 0.00 -2.08 0.00 0.00 38.32 36.09 2k5f h ASN 64 CO -0.05 0.47 -0.11 -0.33 -2.08 0.00 0.00 177.43 175.33 2k5f h GLU 65 N 0.80 0.62 0.00 4.14 5.08 -1.75 -2.46 114.58 121.02 2k5f h GLU 65 Ca 0.28 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2k5f h GLU 65 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2k5f h GLU 65 CO -0.08 0.83 -0.44 0.00 -1.00 0.00 0.00 179.01 178.32 2k5f h ALA 66 N 0.78 0.93 -0.35 3.43 0.00 -1.10 -2.72 119.26 120.23 2k5f h ALA 66 Ca 0.07 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2k5f h ALA 66 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k5f h ALA 66 CO 0.04 0.54 0.08 0.93 0.00 0.00 0.00 179.25 180.84 2k5f h GLU 67 N 0.00 0.57 0.00 0.00 4.39 -0.47 -1.64 114.58 117.43 2k5f h GLU 67 Ca -0.00 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2k5f h GLU 67 Cb 1.01 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2k5f h GLU 67 CO 0.06 0.62 -0.06 0.78 -1.16 0.00 0.00 179.01 179.25 2k5f h GLY 68 N 0.42 0.00 -5.54 -3.84 0.00 -1.20 -3.43 103.07 89.47 2k5f h GLY 68 Ca 0.11 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.86 2k5f h GLY 68 CO 0.00 0.00 0.34 -0.42 0.00 0.00 0.00 176.54 176.47 2k5f s ILE 69 N -3.91 4.90 -0.21 2.60 1.01 -1.05 -1.40 121.20 123.15 2k5f s ILE 69 Ca -0.01 1.54 -0.14 0.00 0.00 0.00 0.00 60.65 62.03 2k5f s ILE 69 Cb 0.11 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 2k5f s ILE 69 CO 0.54 0.03 0.31 -0.89 0.00 0.00 0.00 174.94 174.93 2k5f s THR 70 N 2.16 5.27 0.29 2.92 2.01 0.14 -1.07 115.64 127.36 2k5f s THR 70 Ca 0.36 0.52 0.03 0.00 0.31 0.00 0.00 61.69 62.90 2k5f s THR 70 Cb -0.16 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.65 2k5f s THR 70 CO 0.11 0.30 0.07 0.68 -0.69 0.00 0.00 174.62 175.10 2k5f s VAL 71 N 1.09 0.93 -0.08 3.82 -7.23 0.19 -0.39 120.40 118.72 2k5f s VAL 71 Ca 0.15 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 2k5f s VAL 71 Cb -0.14 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.10 2k5f s VAL 71 CO 0.06 -0.01 -0.12 -2.28 -0.31 0.00 0.00 175.10 172.44 2k5f s HIS 72 N -3.49 1.49 0.17 2.82 2.46 0.28 -1.91 115.29 117.12 2k5f s HIS 72 Ca 0.37 -0.59 -0.30 0.00 0.47 0.00 0.00 55.06 55.00 2k5f s HIS 72 Cb 0.08 -1.12 -0.08 0.00 -0.13 0.00 0.00 32.58 31.33 2k5f s HIS 72 CO 0.15 -0.33 1.30 0.42 -2.47 0.00 0.00 174.74 173.81 2k5f s ILE 73 N 0.84 3.32 -1.35 0.89 1.01 -1.26 -0.06 121.20 124.59 2k5f s ILE 73 Ca -0.11 1.05 -0.16 0.00 0.00 0.00 0.00 60.65 61.43 2k5f s ILE 73 Cb -0.15 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.71 2k5f s ILE 73 CO 0.02 0.14 1.89 0.18 0.00 0.00 0.00 174.94 177.17 2k5f n LEU 74 N 2.92 5.64 0.00 2.97 4.77 0.99 -4.89 117.00 129.40 2k5f n LEU 74 Ca 0.07 -4.04 -0.26 0.00 -0.03 0.00 0.00 56.01 51.75 2k5f n LEU 74 Cb 0.43 -1.71 -0.06 0.00 -2.33 0.00 0.00 43.42 39.75 2k5f n LEU 74 CO 0.58 0.53 -0.18 0.00 -1.33 0.00 0.00 177.39 176.98 2k5f n ALA 75 N 7.38 0.48 0.00 -1.18 0.00 -1.26 -4.83 120.51 121.09 2k5f n ALA 75 Ca 0.49 -2.01 0.00 0.00 0.00 0.00 0.00 53.44 51.92 2k5f n ALA 75 Cb 0.43 1.24 0.00 0.00 0.00 0.00 0.00 19.45 21.12 2k5f n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5f n GLY 76 N -0.59 1.18 2.90 0.00 0.00 -1.26 -4.76 105.19 102.66 2k5f n GLY 76 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2k5f n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k5f n ASP 77 N 0.00 -7.66 -4.93 1.61 9.92 -1.26 -5.01 116.55 109.21 2k5f n ASP 77 Ca 0.00 0.69 -0.27 0.00 -0.53 0.00 0.00 54.79 54.68 2k5f n ASP 77 Cb 0.00 -4.81 -0.03 0.00 -0.64 0.00 0.00 41.12 35.64 2k5f n ASP 77 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2k5f s GLU 78 N -2.27 3.49 0.59 -1.24 2.12 -1.26 -5.08 118.70 115.04 2k5f s GLU 78 Ca 0.19 -0.42 -0.17 0.00 0.36 0.00 0.00 54.97 54.93 2k5f s GLU 78 Cb -0.05 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2k5f s GLU 78 CO 0.75 0.44 1.08 0.20 -0.54 0.00 0.00 175.26 177.19 2k5f s GLY 79 N -3.16 2.24 -0.44 -1.50 0.00 -1.26 -4.41 107.32 98.79 2k5f s GLY 79 Ca 0.37 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.47 2k5f s GLY 79 CO 0.29 0.84 0.57 1.42 0.00 0.00 0.00 173.10 176.21 2k5f n HIS 80 N -1.90 -3.16 -0.24 1.90 8.25 -1.26 -4.94 115.22 113.86 2k5f n HIS 80 Ca 0.10 1.27 -0.08 0.00 -0.26 0.00 0.00 57.72 58.74 2k5f n HIS 80 Cb 0.52 -3.90 0.04 0.00 1.12 0.00 0.00 29.99 27.77 2k5f n HIS 80 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2k5f h PRO 81 N 1.65 1.12 -1.82 -0.41 0.13 -2.04 -3.47 132.00 127.17 2k5f h PRO 81 Ca 0.00 -0.29 0.28 0.00 -0.87 0.00 0.00 66.00 65.12 2k5f h PRO 81 Cb 0.93 -0.14 -0.10 0.00 0.13 0.00 0.00 31.00 31.83 2k5f h PRO 81 CO 0.20 1.01 0.73 -3.38 -0.23 0.00 0.00 178.00 176.33 2k5f s HIS 82 N -5.25 -0.05 -0.06 1.56 -3.43 -1.26 -5.05 115.29 101.75 2k5f s HIS 82 Ca -0.12 -0.13 0.23 0.00 -0.80 0.00 0.00 55.06 54.24 2k5f s HIS 82 Cb 0.14 0.58 0.42 0.00 -1.43 0.00 0.00 32.58 32.29 2k5f s HIS 82 CO 0.85 -0.46 1.15 0.41 -2.00 0.00 0.00 174.74 174.69 2k5f n GLY 83 N -0.54 1.15 3.87 -1.38 0.00 -1.26 -5.11 105.19 101.92 2k5f n GLY 83 Ca -0.06 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.78 3.61 -0.88 1.61 -0.11 -1.26 -5.03 118.94 116.10 2k5f s TRP 84 Ca 0.30 0.64 -0.25 0.00 1.22 0.00 0.00 56.10 58.01 2k5f s TRP 84 Cb 0.35 -2.03 0.03 0.00 -1.50 0.00 0.00 33.47 30.32 2k5f s TRP 84 CO -0.13 0.66 1.41 -2.14 -4.62 0.00 0.00 176.95 172.13 2k5f s PRO 85 N -1.41 3.34 0.00 5.86 0.02 -1.26 -4.76 135.00 136.78 2k5f s PRO 85 Ca 0.23 -0.65 0.00 0.00 0.02 0.00 0.00 61.00 60.61 2k5f s PRO 85 Cb -0.13 -4.81 0.00 0.00 0.02 0.00 0.00 34.50 29.58 2k5f s PRO 85 CO 0.12 -2.25 0.00 0.41 -0.33 0.00 0.00 177.00 174.95 2k5f n GLY 86 N 6.20 -2.15 3.84 0.52 0.00 -1.26 -5.16 105.19 107.17 2k5f n GLY 86 Ca 0.20 1.04 -0.32 0.00 0.00 0.00 0.00 46.02 46.95 2k5f n GLY 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k5f s PHE 87 N 0.00 3.36 -0.46 1.61 -0.71 -1.26 -5.03 117.98 115.48 2k5f s PHE 87 Ca 0.00 1.43 -0.06 0.00 -1.04 0.00 0.00 56.93 57.26 2k5f s PHE 87 Cb 0.00 -2.83 0.12 0.00 -1.21 0.00 0.00 43.02 39.10 2k5f s PHE 87 CO 0.00 -0.70 0.30 0.50 -1.34 0.00 0.00 175.22 173.98 2k5f s ARG 88 N -4.45 2.30 -0.01 1.99 3.52 -1.26 -5.05 118.95 115.99 2k5f s ARG 88 Ca 0.59 -1.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.34 2k5f s ARG 88 Cb -0.12 -3.78 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 2k5f s ARG 88 CO 0.41 -1.15 -0.04 1.03 -0.81 0.00 0.00 175.30 174.75 2k5f s ARG 89 N 1.15 0.37 -0.22 5.12 0.52 -1.26 -5.15 118.95 119.48 2k5f s ARG 89 Ca 0.08 -0.11 -0.28 0.00 -0.52 0.00 0.00 55.73 54.89 2k5f s ARG 89 Cb -0.24 -0.39 0.14 0.00 0.52 0.00 0.00 34.95 34.99 2k5f s ARG 89 CO -0.03 0.04 1.11 -0.98 0.02 0.00 0.00 175.30 175.47 2k5f s ARG 90 N 0.15 0.43 -0.26 3.54 1.70 -1.26 -5.14 118.95 118.11 2k5f s ARG 90 Ca -0.01 0.20 -0.05 0.00 -0.47 0.00 0.00 55.73 55.40 2k5f s ARG 90 Cb -0.04 0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.55 2k5f s ARG 90 CO -0.00 -0.12 0.01 -1.01 -1.08 0.00 0.00 175.30 173.10 2k5f s HIS 91 N -0.73 3.07 0.06 5.89 3.76 -1.26 -5.09 115.29 121.00 2k5f s HIS 91 Ca 0.02 -1.08 -0.30 0.00 -0.15 0.00 0.00 55.06 53.55 2k5f s HIS 91 Cb -0.02 -2.16 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 2k5f s HIS 91 CO -0.03 -0.59 0.99 -0.98 -0.85 0.00 0.00 174.74 173.27 2k5f s ARG 92 N 1.46 4.62 0.56 1.40 1.70 -1.26 -5.03 118.95 122.39 2k5f s ARG 92 Ca 0.03 1.46 -0.14 0.00 -0.47 0.00 0.00 55.73 56.62 2k5f s ARG 92 Cb -0.16 -3.41 -0.06 0.00 -0.57 0.00 0.00 34.95 30.75 2k5f s ARG 92 CO -0.01 0.07 1.00 -0.06 -1.08 0.00 0.00 175.30 175.22 2k5f s PHE 93 N 0.48 3.53 0.30 5.89 0.08 -1.26 -5.07 117.98 121.93 2k5f s PHE 93 Ca 0.50 1.37 -0.19 0.00 0.12 0.00 0.00 56.93 58.73 2k5f s PHE 93 Cb -0.23 -2.75 0.06 0.00 -0.57 0.00 0.00 43.02 39.53 2k5f s PHE 93 CO 0.29 -0.50 0.85 0.20 -0.10 0.00 0.00 175.22 175.96 2k5f s GLY 94 N -3.57 0.18 0.51 4.36 0.00 -1.26 -5.15 107.32 102.39 2k5f s GLY 94 Ca 0.57 -0.51 -0.22 0.00 0.00 0.00 0.00 44.72 44.57 2k5f s GLY 94 CO 0.41 0.40 1.22 -1.59 0.00 0.00 0.00 173.10 173.54 2k5f s LYS 95 N -2.61 3.46 0.37 2.90 -2.85 -1.26 -5.02 119.74 114.73 2k5f s LYS 95 Ca 0.16 1.88 -0.18 0.00 -1.00 0.00 0.00 55.97 56.83 2k5f s LYS 95 Cb -0.04 -2.27 -0.10 0.00 -2.06 0.00 0.00 37.83 33.36 2k5f s LYS 95 CO 0.08 -0.83 0.84 -0.98 0.10 0.00 0.00 175.35 174.57 2k5f s ARG 96 N -2.89 4.12 -0.60 1.78 1.70 -1.26 -5.00 118.95 116.79 2k5f s ARG 96 Ca 0.68 0.89 -0.28 0.00 -0.47 0.00 0.00 55.73 56.56 2k5f s ARG 96 Cb -0.31 -2.32 0.02 0.00 -0.57 0.00 0.00 34.95 31.76 2k5f s ARG 96 CO 0.37 0.07 1.38 0.00 -1.08 0.00 0.00 175.30 176.04 2k5f s ALA 97 N -2.07 2.78 0.00 7.88 0.00 -1.26 -5.00 121.76 124.10 2k5f s ALA 97 Ca 0.58 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 2k5f s ALA 97 Cb -0.10 -4.14 -0.06 0.00 0.00 0.00 0.00 23.12 18.83 2k5f s ALA 97 CO 0.15 -3.03 0.41 -0.48 0.00 0.00 0.00 175.76 172.82 2k5f s LEU 98 N 6.03 4.48 -0.22 0.00 2.34 -1.26 -4.71 118.68 125.33 2k5f s LEU 98 Ca 0.48 0.97 -0.05 0.00 0.06 0.00 0.00 54.13 55.59 2k5f s LEU 98 Cb -0.10 -2.60 0.02 0.00 -0.56 0.00 0.00 46.19 42.96 2k5f s LEU 98 CO 0.23 0.32 0.11 -0.62 -1.06 0.00 0.00 176.35 175.33 2k5f n GLU 99 N 1.83 -3.58 -3.15 1.48 1.02 -1.26 -5.00 120.64 111.98 2k5f n GLU 99 Ca -0.14 2.82 -0.34 0.00 -0.02 0.00 0.00 57.16 59.48 2k5f n GLU 99 Cb 0.52 -4.76 -0.06 0.00 -0.02 0.00 0.00 31.44 27.13 2k5f n GLU 99 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k5f s HIS 100 N -1.04 3.49 -0.19 -0.32 2.46 -1.26 -5.03 115.29 113.40 2k5f s HIS 100 Ca -0.12 1.26 -0.25 0.00 0.47 0.00 0.00 55.06 56.41 2k5f s HIS 100 Cb 0.01 -2.54 -0.01 0.00 -0.13 0.00 0.00 32.58 29.90 2k5f s HIS 100 CO 0.70 0.21 0.83 -1.01 -2.47 0.00 0.00 174.74 173.00 2k5f s HIS 101 N -1.77 3.39 -0.13 3.88 0.09 -1.26 -4.91 115.29 114.58 2k5f s HIS 101 Ca 0.49 1.22 0.18 0.00 -0.00 0.00 0.00 55.06 56.95 2k5f s HIS 101 Cb -0.13 -3.02 -0.18 0.00 -0.00 0.00 0.00 32.58 29.25 2k5f s HIS 101 CO 0.19 -0.28 0.66 -2.39 -0.00 0.00 0.00 174.74 172.92 2k5f n HIS 102 N 5.43 0.66 -4.93 1.40 1.44 -1.26 -5.07 115.22 112.89 2k5f n HIS 102 Ca 0.05 0.22 0.00 0.00 -2.01 0.00 0.00 57.72 55.97 2k5f n HIS 102 Cb 0.48 -0.97 0.00 0.00 0.12 0.00 0.00 29.99 29.63 2k5f n HIS 102 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k5f n HIS 103 N -2.74 -1.75 -3.82 -1.40 8.25 -1.26 -4.99 115.22 107.50 2k5f n HIS 103 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2k5f n HIS 103 Cb 0.82 0.26 0.00 0.00 1.12 0.00 0.00 29.99 32.20 2k5f n HIS 103 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2k5f n HIS 104 N -1.52 0.00 -0.46 4.41 1.44 -1.26 -5.31 115.22 112.51 2k5f n HIS 104 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2k5f n HIS 104 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2k5f n HIS 104 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14