#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 3.65 0.43 2.12 3.01 -1.26 -0.61 119.74 127.08 2k5f s LYS 2 Ca 0.00 0.65 0.16 0.00 -1.01 0.00 0.00 55.97 55.77 2k5f s LYS 2 Cb 0.00 -2.17 0.95 0.00 -1.01 0.00 0.00 37.83 35.59 2k5f s LYS 2 CO 0.00 -0.41 1.93 1.25 0.51 0.00 0.00 175.35 178.63 2k5f h LEU 3 N 0.09 0.00 -0.74 3.17 5.85 -0.54 -2.18 115.31 120.97 2k5f h LEU 3 Ca -0.45 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2k5f h LEU 3 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2k5f h LEU 3 CO 0.62 0.26 -0.06 0.77 -0.34 0.00 0.00 178.44 179.69 2k5f h SER 4 N 0.00 0.00 0.17 1.25 4.64 -1.80 -3.02 113.55 114.79 2k5f h SER 4 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k5f h SER 4 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2k5f h SER 4 CO 0.03 0.06 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.33 2k5f n GLU 5 N -3.14 1.07 -1.25 4.77 1.02 -0.82 -4.89 120.64 117.40 2k5f n GLU 5 Ca 0.02 -0.49 -0.30 0.00 -0.02 0.00 0.00 57.16 56.37 2k5f n GLU 5 Cb 0.44 -1.49 0.21 0.00 -0.02 0.00 0.00 31.44 30.58 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 -2.27 1.21 0.29 -4.62 1.43 -1.14 -4.95 118.68 108.62 2k5f s LEU 6 Ca 0.33 0.69 0.11 0.00 -1.03 0.00 0.00 54.13 54.23 2k5f s LEU 6 Cb 0.20 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2k5f s LEU 6 CO 0.43 -3.66 -0.16 -0.54 0.23 0.00 0.00 176.35 172.65 2k5f s LYS 7 N -5.39 1.67 -0.38 1.70 1.02 -1.26 -5.06 119.74 112.04 2k5f s LYS 7 Ca 0.70 -1.80 -0.28 0.00 0.02 0.00 0.00 55.97 54.61 2k5f s LYS 7 Cb -0.11 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 35.54 2k5f s LYS 7 CO 0.56 0.25 1.76 0.00 -0.92 0.00 0.00 175.35 176.99 2k5f s ALA 8 N -2.62 2.80 0.00 5.17 0.00 -1.26 -1.57 121.76 124.28 2k5f s ALA 8 Ca 0.30 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2k5f s ALA 8 Cb -0.02 -4.04 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2k5f s ALA 8 CO 0.14 -2.77 0.00 0.41 0.00 0.00 0.00 175.76 173.55 2k5f n GLY 9 N 5.41 0.87 3.74 0.00 0.00 -0.64 -5.00 105.19 109.57 2k5f n GLY 9 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.38 7.56 -0.18 1.61 1.11 -0.61 -4.79 116.67 119.99 2k5f s ASP 10 Ca 0.00 1.85 -0.09 0.00 0.18 0.00 0.00 52.55 54.49 2k5f s ASP 10 Cb 0.00 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.36 2k5f s ASP 10 CO 0.00 0.08 0.11 -0.13 1.18 0.00 0.00 175.17 176.42 2k5f s ARG 11 N -0.73 4.01 0.05 8.23 0.52 -1.26 -1.02 118.95 128.75 2k5f s ARG 11 Ca 0.42 -0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.38 2k5f s ARG 11 Cb -0.25 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 31.86 2k5f s ARG 11 CO 0.30 0.38 0.00 0.00 0.02 0.00 0.00 175.30 176.00 2k5f s ALA 12 N 0.12 0.39 -0.13 2.13 0.00 -0.17 -1.00 121.76 123.10 2k5f s ALA 12 Ca 0.08 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2k5f s ALA 12 Cb -0.11 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2k5f s ALA 12 CO -0.01 -0.38 -0.18 -2.00 0.00 0.00 0.00 175.76 173.20 2k5f s GLU 13 N -3.76 3.20 -0.03 0.00 2.12 0.12 -0.49 118.70 119.88 2k5f s GLU 13 Ca 0.05 -0.78 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 2k5f s GLU 13 Cb 0.06 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.89 2k5f s GLU 13 CO -0.10 0.12 1.43 0.08 -0.54 0.00 0.00 175.26 176.25 2k5f s VAL 14 N 0.54 3.75 -0.14 3.70 1.01 0.69 -0.44 120.40 129.51 2k5f s VAL 14 Ca -0.11 1.08 0.15 0.00 0.00 0.00 0.00 61.98 63.10 2k5f s VAL 14 Cb -0.16 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.30 2k5f s VAL 14 CO 0.04 -0.03 0.12 0.35 0.00 0.00 0.00 175.10 175.58 2k5f n THR 15 N 4.88 0.95 -3.67 3.92 -2.24 -0.30 -0.10 114.28 117.73 2k5f n THR 15 Ca 0.14 -0.66 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 2k5f n THR 15 Cb 0.44 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.14 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 -4.89 -0.50 -0.07 3.42 0.01 -0.80 -4.79 113.70 106.08 2k5f s SER 16 Ca -0.08 0.78 0.02 0.00 1.31 0.00 0.00 55.95 57.98 2k5f s SER 16 Cb 0.06 0.80 0.01 0.00 0.21 0.00 0.00 66.02 67.10 2k5f s SER 16 CO 0.70 -0.33 -0.12 -0.69 0.41 0.00 0.00 173.24 173.21 2k5f s VAL 17 N -0.38 1.14 -0.09 3.43 1.01 -1.26 0.08 120.40 124.32 2k5f s VAL 17 Ca -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 2k5f s VAL 17 Cb -0.03 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.33 2k5f s VAL 17 CO 0.03 0.36 -0.01 0.00 0.00 0.00 0.00 175.10 175.48 2k5f s ALA 18 N 0.77 0.86 0.37 5.51 0.00 -0.35 -4.93 121.76 123.98 2k5f s ALA 18 Ca -0.13 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.41 2k5f s ALA 18 Cb -0.15 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.18 2k5f s ALA 18 CO 0.02 -0.54 0.74 0.00 0.00 0.00 0.00 175.76 175.99 2k5f s ALA 19 N 1.91 -0.60 0.52 0.00 0.00 -1.26 -3.93 121.76 118.40 2k5f s ALA 19 Ca 0.04 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 2k5f s ALA 19 Cb -0.13 0.76 -0.06 0.00 0.00 0.00 0.00 23.12 23.69 2k5f s ALA 19 CO -0.06 -0.97 1.37 0.39 0.00 0.00 0.00 175.76 176.49 2k5f n GLU 20 N -0.52 1.82 -0.23 0.00 4.71 -1.26 -4.59 120.64 120.56 2k5f n GLU 20 Ca -0.07 0.66 -0.02 0.00 -0.01 0.00 0.00 57.16 57.73 2k5f n GLU 20 Cb 0.60 -2.58 0.05 0.00 -1.01 0.00 0.00 31.44 28.50 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 1.64 -0.07 -0.00 3.49 0.13 -2.01 0.62 132.00 135.80 2k5f h PRO 21 Ca -0.51 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 2k5f h PRO 21 Cb 1.30 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2k5f h PRO 21 CO 0.58 -0.05 -0.78 0.00 -0.23 0.00 0.00 178.00 177.52 2k5f h ALA 22 N 1.38 0.71 -0.05 -0.56 0.00 -1.99 -2.10 119.26 116.65 2k5f h ALA 22 Ca 0.30 -0.71 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 2k5f h ALA 22 Cb 0.54 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k5f h ALA 22 CO -0.73 0.97 -0.73 0.28 0.00 0.00 0.00 179.25 179.04 2k5f h VAL 23 N 0.00 1.35 -0.69 0.00 2.07 -1.38 -1.68 116.25 115.92 2k5f h VAL 23 Ca -0.01 -2.05 -0.05 0.00 0.82 0.00 0.00 66.70 65.41 2k5f h VAL 23 Cb 1.38 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 33.47 2k5f h VAL 23 CO 0.10 0.62 0.21 -0.09 0.02 0.00 0.00 177.57 178.43 2k5f h ARG 24 N 0.19 1.06 -0.39 1.57 1.12 0.13 -1.23 114.38 116.83 2k5f h ARG 24 Ca -0.08 -0.22 0.05 0.00 -1.11 0.00 0.00 59.98 58.63 2k5f h ARG 24 Cb 1.40 -0.16 -0.05 0.00 -0.01 0.00 0.00 29.97 31.16 2k5f h ARG 24 CO 0.15 0.90 0.11 -0.09 -3.11 0.00 0.00 179.97 177.93 2k5f h ARG 25 N 1.02 0.25 -0.59 0.20 9.65 -1.30 0.77 114.38 124.38 2k5f h ARG 25 Ca 0.22 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2k5f h ARG 25 Cb 0.29 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 2k5f h ARG 25 CO -0.01 0.16 0.36 -0.09 2.80 0.00 0.00 179.97 183.19 2k5f h ARG 26 N 0.26 0.80 -0.12 0.20 2.43 -0.67 0.60 114.38 117.88 2k5f h ARG 26 Ca 0.18 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2k5f h ARG 26 Cb 0.19 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2k5f h ARG 26 CO -0.21 0.58 0.05 -0.07 -1.51 0.00 0.00 179.97 178.81 2k5f h LEU 27 N 0.80 0.16 -1.07 3.80 3.38 -0.86 -1.59 115.31 119.94 2k5f h LEU 27 Ca 0.21 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2k5f h LEU 27 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2k5f h LEU 27 CO -0.04 0.26 -0.45 0.24 0.09 0.00 0.00 178.44 178.54 2k5f h MET 28 N 0.05 0.00 -0.54 1.13 2.86 -0.54 0.18 114.93 118.07 2k5f h MET 28 Ca 0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2k5f h MET 28 Cb 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2k5f h MET 28 CO -0.00 0.45 0.03 0.22 1.06 0.00 0.00 176.91 178.66 2k5f h ASP 29 N 0.00 0.91 0.39 1.22 1.82 0.45 -3.29 116.42 117.93 2k5f h ASP 29 Ca -0.00 -0.29 -0.02 0.00 -0.39 0.00 0.00 57.03 56.32 2k5f h ASP 29 Cb 0.83 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.60 2k5f h ASP 29 CO 0.06 0.98 -0.19 -0.07 -1.61 0.00 0.00 179.24 178.41 2k5f h LEU 30 N 0.82 -0.44 0.00 2.28 3.38 -1.00 -3.47 115.31 116.87 2k5f h LEU 30 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2k5f h LEU 30 Cb 0.50 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2k5f h LEU 30 CO 0.02 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.98 2k5f n GLY 31 N -0.07 0.00 3.22 0.83 0.00 -0.62 -5.04 105.19 103.51 2k5f n GLY 31 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 6.05 0.40 0.99 0.20 0.53 -4.45 118.68 122.40 2k5f s LEU 32 Ca 0.00 -3.00 0.05 0.00 0.69 0.00 0.00 54.13 51.87 2k5f s LEU 32 Cb 0.00 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.69 2k5f s LEU 32 CO 0.00 -0.42 0.18 0.68 -0.29 0.00 0.00 176.35 176.50 2k5f s VAL 33 N -0.30 0.39 -0.12 1.68 -7.23 -1.26 -3.59 120.40 109.96 2k5f s VAL 33 Ca 0.20 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.08 2k5f s VAL 33 Cb -0.13 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2k5f s VAL 33 CO -0.07 0.00 1.68 -0.60 -0.31 0.00 0.00 175.10 175.79 2k5f s ARG 34 N -3.60 3.98 0.00 4.82 3.52 -1.26 -1.44 118.95 124.97 2k5f s ARG 34 Ca 0.26 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.86 2k5f s ARG 34 Cb 0.02 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.38 2k5f s ARG 34 CO 0.18 -1.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.00 2k5f n GLY 35 N 4.42 0.44 3.72 8.12 0.00 0.86 -5.01 105.19 117.74 2k5f n GLY 35 Ca 0.19 0.00 -0.42 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 3.35 -0.18 4.61 0.00 -0.52 -4.80 121.76 122.22 2k5f s ALA 36 Ca 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 52.71 2k5f s ALA 36 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 2k5f s ALA 36 CO 0.00 -0.38 -0.01 0.15 0.00 0.00 0.00 175.76 175.52 2k5f s LYS 37 N 0.86 3.65 0.17 0.00 1.02 -1.26 -0.22 119.74 123.96 2k5f s LYS 37 Ca 0.56 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.05 2k5f s LYS 37 Cb -0.28 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2k5f s LYS 37 CO 0.30 0.10 0.03 -0.48 -0.92 0.00 0.00 175.35 174.38 2k5f s LEU 38 N 0.75 1.97 -0.07 3.17 2.34 0.36 -3.07 118.68 124.13 2k5f s LEU 38 Ca -0.00 -1.21 0.02 0.00 0.06 0.00 0.00 54.13 53.00 2k5f s LEU 38 Cb -0.14 0.05 0.01 0.00 -0.56 0.00 0.00 46.19 45.55 2k5f s LEU 38 CO 0.02 -0.63 -0.13 -0.75 -1.06 0.00 0.00 176.35 173.80 2k5f s LYS 39 N -3.96 1.88 0.10 1.48 2.20 -0.07 -0.99 119.74 120.37 2k5f s LYS 39 Ca 0.26 -0.47 -0.31 0.00 -0.36 0.00 0.00 55.97 55.09 2k5f s LYS 39 Cb 0.07 -1.55 -0.08 0.00 -1.51 0.00 0.00 37.83 34.76 2k5f s LYS 39 CO 0.05 0.02 1.37 0.08 -0.36 0.00 0.00 175.35 176.51 2k5f s VAL 40 N 0.70 3.40 -0.16 4.02 1.01 -0.19 -0.09 120.40 129.10 2k5f s VAL 40 Ca -0.13 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 62.72 2k5f s VAL 40 Cb -0.16 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2k5f s VAL 40 CO 0.03 0.07 -0.21 0.18 0.00 0.00 0.00 175.10 175.17 2k5f n LEU 41 N 4.06 1.84 -3.55 3.92 4.77 0.12 -1.63 117.00 126.55 2k5f n LEU 41 Ca 0.11 0.55 -0.08 0.00 -0.03 0.00 0.00 56.01 56.57 2k5f n LEU 41 Cb 0.43 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.66 2k5f n LEU 41 CO 0.58 -0.38 0.68 -0.60 -1.33 0.00 0.00 177.39 176.34 2k5f s ARG 42 N -2.42 0.92 0.12 3.23 3.52 -0.85 -4.44 118.95 119.04 2k5f s ARG 42 Ca -0.19 -0.38 0.08 0.00 -0.13 0.00 0.00 55.73 55.11 2k5f s ARG 42 Cb 0.03 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.77 2k5f s ARG 42 CO 0.29 -0.41 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.20 2k5f s PHE 43 N -3.19 2.68 0.85 5.12 0.08 -1.26 -1.09 117.98 121.18 2k5f s PHE 43 Ca 0.06 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 56.81 2k5f s PHE 43 Cb -0.01 -1.38 0.10 0.00 -0.57 0.00 0.00 43.02 41.16 2k5f s PHE 43 CO -0.07 0.44 1.09 0.00 -0.10 0.00 0.00 175.22 176.58 2k5f s ALA 44 N -1.31 1.85 -2.00 5.36 0.00 -0.61 -4.86 121.76 120.18 2k5f s ALA 44 Ca 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2k5f s ALA 44 Cb -0.10 -3.18 0.08 0.00 0.00 0.00 0.00 23.12 19.92 2k5f s ALA 44 CO 0.13 -2.08 0.33 -0.35 0.00 0.00 0.00 175.76 173.79 2k5f n PRO 45 N -3.70 0.11 0.00 0.00 -0.04 -1.26 -0.40 135.00 129.71 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 0.55 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.69 0.60 0.00 1.53 4.77 -1.26 -4.97 117.00 116.97 2k5f n LEU 46 Ca 0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2k5f n LEU 46 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k5f n LEU 46 CO 0.01 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2k5f n GLY 47 N -0.12 0.58 3.23 -0.72 0.00 0.46 -4.98 105.19 103.65 2k5f n GLY 47 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.28 -0.31 0.85 1.61 -1.08 -1.26 -4.34 116.67 109.86 2k5f s ASP 48 Ca 0.00 0.89 -0.07 0.00 -0.52 0.00 0.00 52.55 52.85 2k5f s ASP 48 Cb 0.00 0.98 0.13 0.00 -1.46 0.00 0.00 42.92 42.57 2k5f s ASP 48 CO 0.00 -0.21 0.80 -0.81 0.52 0.00 0.00 175.17 175.47 2k5f n PRO 49 N 4.82 -0.48 -5.18 4.34 -0.05 -1.26 -4.63 135.00 132.56 2k5f n PRO 49 Ca -0.16 -1.55 -0.32 0.00 -0.05 0.00 0.00 63.50 61.43 2k5f n PRO 49 Cb 0.52 -0.73 -0.16 0.00 -0.05 0.00 0.00 33.50 33.08 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 -2.57 2.23 -0.27 0.52 1.01 0.46 -1.57 121.20 121.01 2k5f s ILE 50 Ca 0.48 -1.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 2k5f s ILE 50 Cb -0.02 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 2k5f s ILE 50 CO 0.33 0.57 0.10 -1.61 0.00 0.00 0.00 174.94 174.33 2k5f s GLU 51 N -0.08 3.60 0.01 2.79 2.02 -0.25 -2.38 118.70 124.42 2k5f s GLU 51 Ca -0.06 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.42 2k5f s GLU 51 Cb -0.14 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.65 2k5f s GLU 51 CO 0.04 -0.25 -0.05 0.14 0.02 0.00 0.00 175.26 175.17 2k5f s VAL 52 N 1.63 0.37 -0.63 2.63 -7.23 -0.50 -0.70 120.40 115.98 2k5f s VAL 52 Ca 0.06 -0.53 -0.22 0.00 -1.81 0.00 0.00 61.98 59.48 2k5f s VAL 52 Cb -0.16 -0.38 0.07 0.00 0.56 0.00 0.00 36.38 36.47 2k5f s VAL 52 CO 0.05 -0.11 0.91 0.21 -0.31 0.00 0.00 175.10 175.85 2k5f s ASN 53 N -0.69 6.20 -0.19 4.85 3.84 0.86 0.22 114.94 130.02 2k5f s ASN 53 Ca -0.04 -0.95 -0.02 0.00 0.21 0.00 0.00 52.86 52.07 2k5f s ASN 53 Cb -0.05 -2.40 -0.00 0.00 -0.55 0.00 0.00 41.25 38.25 2k5f s ASN 53 CO -0.00 -1.35 -0.10 0.00 -2.79 0.00 0.00 177.10 172.86 2k5f n ASN 55 N 4.54 -4.92 0.00 0.00 2.85 -1.17 -1.64 115.26 114.92 2k5f n ASN 55 Ca -0.19 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2k5f n ASN 55 Cb 0.51 -3.95 0.00 0.00 1.24 0.00 0.00 39.78 37.58 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 -0.99 0.61 3.48 8.20 0.00 -1.26 -5.03 105.19 110.20 2k5f n GLY 56 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 2.75 -0.63 1.61 -1.94 -0.65 -5.06 119.30 114.58 2k5f s MET 57 Ca 0.00 -0.66 -0.27 0.00 -1.71 0.00 0.00 55.69 53.05 2k5f s MET 57 Cb 0.00 -2.48 0.01 0.00 2.01 0.00 0.00 34.83 34.36 2k5f s MET 57 CO 0.00 0.55 1.52 -0.51 -0.01 0.00 0.00 175.02 176.56 2k5f s LEU 58 N -0.51 3.29 0.10 -0.03 1.43 -1.26 0.02 118.68 121.72 2k5f s LEU 58 Ca 0.07 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2k5f s LEU 58 Cb -0.12 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2k5f s LEU 58 CO 0.02 -1.96 0.22 -0.76 0.23 0.00 0.00 176.35 174.10 2k5f s LEU 59 N 6.91 4.27 -0.07 1.79 1.43 0.13 -4.93 118.68 128.21 2k5f s LEU 59 Ca 0.52 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2k5f s LEU 59 Cb -0.11 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.27 2k5f s LEU 59 CO 0.21 0.12 -0.01 -0.89 0.23 0.00 0.00 176.35 176.01 2k5f s THR 60 N -1.60 0.44 0.25 5.49 2.01 -1.26 -1.41 115.64 119.57 2k5f s THR 60 Ca 0.34 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2k5f s THR 60 Cb -0.12 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.77 2k5f s THR 60 CO 0.27 0.27 0.23 0.00 -0.69 0.00 0.00 174.62 174.70 2k5f s MET 61 N 1.92 1.45 0.52 4.92 0.23 -1.00 -4.97 119.30 122.38 2k5f s MET 61 Ca 0.05 -1.72 -0.02 0.00 -1.03 0.00 0.00 55.69 52.96 2k5f s MET 61 Cb -0.12 0.32 0.01 0.00 -1.53 0.00 0.00 34.83 33.50 2k5f s MET 61 CO -0.05 -0.52 0.78 1.03 -2.03 0.00 0.00 175.02 174.22 2k5f s ARG 62 N -3.85 2.89 0.47 3.16 3.00 -1.26 -0.40 118.95 122.95 2k5f s ARG 62 Ca 0.38 -0.38 0.20 0.00 0.00 0.00 0.00 55.73 55.93 2k5f s ARG 62 Cb 0.04 -2.44 1.15 0.00 0.00 0.00 0.00 34.95 33.70 2k5f s ARG 62 CO 0.17 -0.53 1.99 -0.09 0.00 0.00 0.00 175.30 176.85 2k5f h ARG 63 N 0.12 0.00 -0.56 3.54 2.43 -1.93 -2.26 114.38 115.71 2k5f h ARG 63 Ca -0.45 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.80 2k5f h ARG 63 Cb 1.26 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 2k5f h ARG 63 CO 0.58 0.19 0.19 -0.91 -1.51 0.00 0.00 179.97 178.51 2k5f h ASN 64 N 0.00 0.17 -0.04 -3.80 2.35 -1.93 0.83 115.58 113.16 2k5f h ASN 64 Ca -0.00 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2k5f h ASN 64 Cb 0.40 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2k5f h ASN 64 CO 0.02 0.11 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.57 2k5f h GLU 65 N 0.36 0.08 -0.66 0.81 3.07 -1.73 -3.12 114.58 113.39 2k5f h GLU 65 Ca 0.28 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 59.18 2k5f h GLU 65 Cb 0.34 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 2k5f h GLU 65 CO -0.30 0.46 0.44 0.00 -1.40 0.00 0.00 179.01 178.22 2k5f h ALA 66 N 0.62 1.83 -0.56 3.43 0.00 -1.12 0.92 119.26 124.38 2k5f h ALA 66 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k5f h ALA 66 Cb 0.44 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k5f h ALA 66 CO 0.01 0.05 0.22 0.93 0.00 0.00 0.00 179.25 180.46 2k5f h GLU 67 N 0.61 0.83 0.00 0.00 4.39 -0.88 -2.31 114.58 117.22 2k5f h GLU 67 Ca 0.30 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2k5f h GLU 67 Cb 0.37 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 2k5f h GLU 67 CO -0.09 0.72 -0.01 0.78 -1.16 0.00 0.00 179.01 179.25 2k5f h GLY 68 N 0.76 0.00 -6.21 -3.84 0.00 -0.81 -3.43 103.07 89.54 2k5f h GLY 68 Ca 0.19 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.92 2k5f h GLY 68 CO -0.01 0.00 -0.09 -0.42 0.00 0.00 0.00 176.54 176.02 2k5f s ILE 69 N -3.79 5.13 -0.20 2.60 1.01 -0.47 -1.21 121.20 124.28 2k5f s ILE 69 Ca -0.00 0.89 -0.11 0.00 0.00 0.00 0.00 60.65 61.44 2k5f s ILE 69 Cb 0.10 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 2k5f s ILE 69 CO 0.52 0.20 0.15 -0.89 0.00 0.00 0.00 174.94 174.93 2k5f s THR 70 N 1.49 5.39 0.26 2.92 2.01 0.11 -0.94 115.64 126.88 2k5f s THR 70 Ca 0.23 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.54 2k5f s THR 70 Cb -0.15 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 2k5f s THR 70 CO 0.09 0.42 -0.09 0.68 -0.69 0.00 0.00 174.62 175.03 2k5f s VAL 71 N 0.47 1.74 -0.11 3.82 -7.23 0.22 -1.14 120.40 118.17 2k5f s VAL 71 Ca 0.09 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.10 2k5f s VAL 71 Cb -0.12 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.52 2k5f s VAL 71 CO -0.00 -0.39 -0.13 -2.28 -0.31 0.00 0.00 175.10 171.99 2k5f s HIS 72 N -2.96 1.79 0.13 2.82 2.46 0.41 -4.30 115.29 115.65 2k5f s HIS 72 Ca 0.28 -0.85 -0.31 0.00 0.47 0.00 0.00 55.06 54.65 2k5f s HIS 72 Cb 0.02 -1.33 -0.09 0.00 -0.13 0.00 0.00 32.58 31.04 2k5f s HIS 72 CO 0.11 -0.47 1.57 0.42 -2.47 0.00 0.00 174.74 173.90 2k5f s ILE 73 N 1.14 2.80 -1.39 0.89 -1.09 -1.26 0.16 121.20 122.45 2k5f s ILE 73 Ca -0.04 0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 58.76 2k5f s ILE 73 Cb -0.14 -3.33 0.09 0.00 -1.58 0.00 0.00 42.46 37.50 2k5f s ILE 73 CO -0.03 0.03 2.08 0.18 -1.23 0.00 0.00 174.94 175.97 2k5f n LEU 74 N 4.38 6.75 -3.14 2.97 4.77 -0.17 -4.64 117.00 127.92 2k5f n LEU 74 Ca 0.14 -4.34 0.05 0.00 -0.03 0.00 0.00 56.01 51.83 2k5f n LEU 74 Cb 0.39 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 2k5f n LEU 74 CO 0.61 1.20 0.41 0.00 -1.33 0.00 0.00 177.39 178.29 2k5f s ALA 75 N 2.09 -3.65 0.00 -1.18 0.00 -1.26 -4.92 121.76 112.84 2k5f s ALA 75 Ca 0.44 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2k5f s ALA 75 Cb 0.12 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2k5f s ALA 75 CO -0.05 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.07 2k5f n GLY 76 N 5.12 0.99 2.64 0.00 0.00 -1.26 -5.12 105.19 107.56 2k5f n GLY 76 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.43 2.56 0.50 1.61 2.15 -1.26 -5.14 116.67 115.65 2k5f s ASP 77 Ca 0.00 -0.92 -0.20 0.00 0.43 0.00 0.00 52.55 51.86 2k5f s ASP 77 Cb 0.00 0.03 -0.08 0.00 -0.30 0.00 0.00 42.92 42.57 2k5f s ASP 77 CO 0.00 -0.40 1.04 -1.83 -0.17 0.00 0.00 175.17 173.81 2k5f s GLU 78 N 2.22 3.75 0.00 4.34 -1.05 -1.26 -3.72 118.70 122.98 2k5f s GLU 78 Ca 0.08 1.35 0.00 0.00 -0.15 0.00 0.00 54.97 56.25 2k5f s GLU 78 Cb -0.15 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.45 2k5f s GLU 78 CO -0.30 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 175.85 2k5f n GLY 79 N -0.32 0.93 3.85 -3.83 0.00 -1.26 -5.08 105.19 99.48 2k5f n GLY 79 Ca 0.09 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2k5f n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k5f s HIS 80 N -2.00 3.45 -0.00 1.61 -3.43 -1.24 -5.00 115.29 108.67 2k5f s HIS 80 Ca 0.00 1.38 -0.30 0.00 -0.80 0.00 0.00 55.06 55.34 2k5f s HIS 80 Cb 0.00 -2.72 -0.07 0.00 -1.43 0.00 0.00 32.58 28.36 2k5f s HIS 80 CO 0.00 -0.30 1.68 -2.14 -2.00 0.00 0.00 174.74 171.98 2k5f s PRO 81 N -3.99 4.19 -0.29 -0.38 0.02 -1.26 -4.98 135.00 128.30 2k5f s PRO 81 Ca 0.57 2.28 -0.03 0.00 0.02 0.00 0.00 61.00 63.84 2k5f s PRO 81 Cb -0.10 -3.88 0.11 0.00 0.02 0.00 0.00 34.50 30.65 2k5f s PRO 81 CO 0.31 -0.82 0.16 -1.58 -0.33 0.00 0.00 177.00 174.74 2k5f s HIS 82 N 3.60 0.23 0.00 6.54 2.46 -1.26 -4.91 115.29 121.94 2k5f s HIS 82 Ca 0.75 -0.83 0.00 0.00 0.47 0.00 0.00 55.06 55.45 2k5f s HIS 82 Cb -0.36 -0.83 0.00 0.00 -0.13 0.00 0.00 32.58 31.25 2k5f s HIS 82 CO 0.32 -0.84 0.45 0.41 -2.47 0.00 0.00 174.74 172.61 2k5f n GLY 83 N 5.17 0.70 3.03 1.59 0.00 -1.26 -5.14 105.19 109.29 2k5f n GLY 83 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.73 0.98 1.61 -0.11 -1.26 -5.15 118.94 115.74 2k5f s TRP 84 Ca 0.00 -0.27 -0.13 0.00 1.22 0.00 0.00 56.10 56.92 2k5f s TRP 84 Cb 0.00 -0.45 0.06 0.00 -1.50 0.00 0.00 33.47 31.58 2k5f s TRP 84 CO 0.00 -0.02 0.42 -2.30 -4.62 0.00 0.00 176.95 170.43 2k5f n PRO 85 N 2.31 -0.54 -1.74 5.86 -0.02 -1.26 -5.00 135.00 134.62 2k5f n PRO 85 Ca -0.17 -0.12 -0.29 0.00 -2.02 0.00 0.00 63.50 60.90 2k5f n PRO 85 Cb 0.56 -1.88 0.14 0.00 -0.02 0.00 0.00 33.50 32.30 2k5f n PRO 85 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2k5f s GLY 86 N -2.05 1.63 0.27 -1.23 0.00 -1.26 -5.08 107.32 99.60 2k5f s GLY 86 Ca 0.58 -0.77 0.10 0.00 0.00 0.00 0.00 44.72 44.62 2k5f s GLY 86 CO 0.67 -0.16 -0.02 -0.12 0.00 0.00 0.00 173.10 173.46 2k5f s PHE 87 N -3.52 2.64 0.08 1.90 5.36 -1.26 -5.02 117.98 118.15 2k5f s PHE 87 Ca 0.66 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 2k5f s PHE 87 Cb -0.10 -1.20 0.00 0.00 -0.34 0.00 0.00 43.02 41.38 2k5f s PHE 87 CO 0.52 0.62 0.00 -2.13 -1.46 0.00 0.00 175.22 172.76 2k5f n ARG 88 N -0.87 -1.07 -2.83 10.12 0.63 -1.26 -5.04 116.66 116.33 2k5f n ARG 88 Ca -0.06 0.77 -0.24 0.00 -0.92 0.00 0.00 57.85 57.40 2k5f n ARG 88 Cb 0.59 -0.85 0.01 0.00 0.45 0.00 0.00 32.46 32.66 2k5f n ARG 88 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2k5f s ARG 89 N -3.77 3.10 -0.59 -0.14 3.52 -1.26 -5.00 118.95 114.81 2k5f s ARG 89 Ca 0.00 -0.29 -0.27 0.00 -0.13 0.00 0.00 55.73 55.03 2k5f s ARG 89 Cb 0.00 -2.48 0.01 0.00 -1.56 0.00 0.00 34.95 30.92 2k5f s ARG 89 CO 0.00 -0.34 1.51 0.50 -0.81 0.00 0.00 175.30 176.16 2k5f s ARG 90 N -4.66 3.14 0.46 5.12 3.00 -1.26 -4.98 118.95 119.75 2k5f s ARG 90 Ca 0.49 0.42 0.08 0.00 -1.00 0.00 0.00 55.73 55.72 2k5f s ARG 90 Cb -0.10 -4.20 0.01 0.00 0.00 0.00 0.00 34.95 30.66 2k5f s ARG 90 CO 0.40 -2.15 0.50 -1.01 0.00 0.00 0.00 175.30 173.04 2k5f s HIS 91 N 6.71 2.41 0.59 5.12 3.76 -1.26 -5.09 115.29 127.53 2k5f s HIS 91 Ca 0.54 -0.54 -0.20 0.00 -0.15 0.00 0.00 55.06 54.71 2k5f s HIS 91 Cb -0.11 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.34 2k5f s HIS 91 CO 0.23 -0.41 1.30 1.03 -0.85 0.00 0.00 174.74 176.04 2k5f s ARG 92 N -4.29 2.88 0.01 1.40 0.52 -1.26 -4.97 118.95 113.24 2k5f s ARG 92 Ca 0.50 2.08 -0.26 0.00 -0.52 0.00 0.00 55.73 57.53 2k5f s ARG 92 Cb -0.05 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 2k5f s ARG 92 CO 0.30 -1.34 0.80 0.12 0.02 0.00 0.00 175.30 175.20 2k5f s PHE 93 N -1.40 3.68 -0.88 -0.53 5.36 -1.26 -4.98 117.98 117.97 2k5f s PHE 93 Ca 0.77 1.47 -0.25 0.00 -0.96 0.00 0.00 56.93 57.96 2k5f s PHE 93 Cb -0.37 -2.88 0.01 0.00 -0.34 0.00 0.00 43.02 39.43 2k5f s PHE 93 CO 0.41 0.16 1.62 0.20 -1.46 0.00 0.00 175.22 176.15 2k5f s GLY 94 N 0.39 0.73 0.38 13.12 0.00 -1.26 -4.98 107.32 115.70 2k5f s GLY 94 Ca 0.41 -1.66 -0.17 0.00 0.00 0.00 0.00 44.72 43.30 2k5f s GLY 94 CO 0.23 3.01 0.83 -1.59 0.00 0.00 0.00 173.10 175.58 2k5f s LYS 95 N 5.98 4.07 -0.18 2.90 -2.85 -1.26 -5.07 119.74 123.33 2k5f s LYS 95 Ca 0.54 0.84 0.01 0.00 -1.00 0.00 0.00 55.97 56.35 2k5f s LYS 95 Cb -0.05 -2.32 0.04 0.00 -2.06 0.00 0.00 37.83 33.43 2k5f s LYS 95 CO 0.01 0.06 -0.11 -0.98 0.10 0.00 0.00 175.35 174.44 2k5f s ARG 96 N -3.16 2.01 0.16 1.78 1.70 -1.26 -5.11 118.95 115.07 2k5f s ARG 96 Ca 0.57 -0.72 -0.30 0.00 -0.47 0.00 0.00 55.73 54.81 2k5f s ARG 96 Cb -0.10 -2.27 -0.07 0.00 -0.57 0.00 0.00 34.95 31.94 2k5f s ARG 96 CO 0.17 -0.38 1.01 0.00 -1.08 0.00 0.00 175.30 175.03 2k5f s ALA 97 N 1.46 3.31 -0.25 7.88 0.00 -1.26 -5.00 121.76 127.90 2k5f s ALA 97 Ca 0.01 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.38 2k5f s ALA 97 Cb -0.15 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2k5f s ALA 97 CO -0.09 -0.06 0.94 -0.51 0.00 0.00 0.00 175.76 176.05 2k5f s LEU 98 N -0.38 4.08 -0.76 0.00 1.43 -1.26 -4.99 118.68 116.80 2k5f s LEU 98 Ca 0.47 1.17 -0.09 0.00 -1.03 0.00 0.00 54.13 54.64 2k5f s LEU 98 Cb -0.26 -3.37 0.20 0.00 0.03 0.00 0.00 46.19 42.78 2k5f s LEU 98 CO 0.32 -0.62 0.65 -0.70 0.23 0.00 0.00 176.35 176.22 2k5f s GLU 99 N 3.08 3.19 -0.14 1.70 2.12 -1.26 -4.80 118.70 122.60 2k5f s GLU 99 Ca 0.40 -2.55 0.00 0.00 0.36 0.00 0.00 54.97 53.18 2k5f s GLU 99 Cb -0.15 -4.13 -0.09 0.00 0.26 0.00 0.00 34.13 30.02 2k5f s GLU 99 CO 0.08 -1.24 -0.12 0.72 -0.54 0.00 0.00 175.26 174.15 2k5f n HIS 100 N 3.67 0.00 -0.83 5.30 8.25 -1.26 -5.14 115.22 125.21 2k5f n HIS 100 Ca 0.12 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.66 2k5f n HIS 100 Cb 0.43 -0.52 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 2k5f n HIS 100 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5f n HIS 101 N -2.95 -2.25 -1.81 4.41 8.25 -1.26 -4.52 115.22 115.09 2k5f n HIS 101 Ca -0.24 1.24 -0.38 0.00 -0.26 0.00 0.00 57.72 58.07 2k5f n HIS 101 Cb 0.75 -2.06 -0.02 0.00 1.12 0.00 0.00 29.99 29.79 2k5f n HIS 101 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5f n HIS 102 N -3.03 2.44 0.07 4.41 8.25 -1.26 -4.29 115.22 121.80 2k5f n HIS 102 Ca -0.04 -2.78 -0.04 0.00 -0.26 0.00 0.00 57.72 54.61 2k5f n HIS 102 Cb 0.36 -1.91 -0.08 0.00 1.12 0.00 0.00 29.99 29.48 2k5f n HIS 102 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k5f h HIS 103 N 4.51 0.00 -1.24 4.41 6.17 -2.05 -3.50 115.15 123.46 2k5f h HIS 103 Ca 0.70 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.78 2k5f h HIS 103 Cb 0.35 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.28 2k5f h HIS 103 CO 1.65 0.81 0.00 1.58 0.71 0.00 0.00 177.93 182.68 2k5f n HIS 104 N -3.22 -1.37 0.94 5.26 -0.00 -1.26 -5.31 115.22 110.26 2k5f n HIS 104 Ca -0.03 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.26 2k5f n HIS 104 Cb 0.89 0.20 0.09 0.00 -0.12 0.00 0.00 29.99 31.05 2k5f n HIS 104 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52