#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 3.34 0.41 2.12 3.01 -1.26 0.27 119.74 127.63 2k5f s LYS 2 Ca 0.00 1.34 0.13 0.00 -1.01 0.00 0.00 55.97 56.43 2k5f s LYS 2 Cb 0.00 -2.03 0.85 0.00 -1.01 0.00 0.00 37.83 35.65 2k5f s LYS 2 CO 0.00 -0.81 1.91 1.25 0.51 0.00 0.00 175.35 178.21 2k5f h LEU 3 N 0.75 0.03 -0.09 3.17 5.85 -0.51 -1.89 115.31 122.62 2k5f h LEU 3 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2k5f h LEU 3 Cb 1.23 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2k5f h LEU 3 CO 0.57 0.29 0.00 -0.24 -0.34 0.00 0.00 178.44 178.72 2k5f n SER 4 N -4.22 0.29 0.09 1.25 2.88 -0.98 -2.64 113.62 110.29 2k5f n SER 4 Ca -0.02 0.54 0.13 0.00 -1.33 0.00 0.00 58.87 58.19 2k5f n SER 4 Cb 0.32 -0.61 0.35 0.00 -0.75 0.00 0.00 64.21 63.52 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 -1.79 0.26 -1.20 -1.46 -0.58 -0.71 -4.86 120.64 110.30 2k5f n GLU 5 Ca 0.05 0.17 -0.29 0.00 -0.42 0.00 0.00 57.16 56.68 2k5f n GLU 5 Cb 0.31 -1.76 0.16 0.00 -0.57 0.00 0.00 31.44 29.58 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 -4.39 1.78 -0.06 -4.62 1.43 -1.08 -5.00 118.68 106.74 2k5f s LEU 6 Ca 0.10 1.25 0.13 0.00 -1.03 0.00 0.00 54.13 54.58 2k5f s LEU 6 Cb 0.13 -3.50 0.26 0.00 0.03 0.00 0.00 46.19 43.10 2k5f s LEU 6 CO 0.63 -2.98 1.12 2.29 0.23 0.00 0.00 176.35 177.63 2k5f n LYS 7 N -4.08 0.48 -1.00 1.70 2.85 -1.26 -5.09 118.16 111.76 2k5f n LYS 7 Ca 0.06 -1.97 0.00 0.00 -1.05 0.00 0.00 58.31 55.35 2k5f n LYS 7 Cb 0.57 -0.69 0.00 0.00 -0.65 0.00 0.00 35.03 34.25 2k5f n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k5f n ALA 8 N -0.27 -2.46 -0.03 0.58 0.00 -1.26 -4.84 120.51 112.22 2k5f n ALA 8 Ca 0.08 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2k5f n ALA 8 Cb 0.83 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 0.01 0.47 3.80 0.00 0.00 0.15 -5.00 105.19 104.62 2k5f n GLY 9 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.46 6.91 -0.17 1.61 1.01 -1.26 -4.91 116.67 117.40 2k5f s ASP 10 Ca 0.00 1.08 -0.02 0.00 0.71 0.00 0.00 52.55 54.32 2k5f s ASP 10 Cb 0.00 -2.31 -0.01 0.00 1.01 0.00 0.00 42.92 41.61 2k5f s ASP 10 CO 0.00 0.23 -0.10 -0.60 0.21 0.00 0.00 175.17 174.91 2k5f s ARG 11 N -0.70 3.35 0.09 8.23 3.52 -1.26 -1.07 118.95 131.12 2k5f s ARG 11 Ca 0.27 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 2k5f s ARG 11 Cb -0.18 -2.78 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2k5f s ARG 11 CO 0.15 0.01 -0.08 0.00 -0.81 0.00 0.00 175.30 174.57 2k5f s ALA 12 N 0.88 1.01 -0.15 6.12 0.00 0.76 -0.47 121.76 129.91 2k5f s ALA 12 Ca -0.03 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.64 2k5f s ALA 12 Cb -0.15 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2k5f s ALA 12 CO 0.00 -0.12 0.13 -2.00 0.00 0.00 0.00 175.76 173.77 2k5f s GLU 13 N -3.11 3.75 -0.48 0.00 2.12 0.86 -0.65 118.70 121.18 2k5f s GLU 13 Ca 0.07 -0.19 -0.28 0.00 0.36 0.00 0.00 54.97 54.93 2k5f s GLU 13 Cb -0.00 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 31.13 2k5f s GLU 13 CO -0.02 0.56 1.44 0.08 -0.54 0.00 0.00 175.26 176.78 2k5f s VAL 14 N -0.40 3.83 0.02 3.70 1.01 0.02 -0.85 120.40 127.73 2k5f s VAL 14 Ca 0.12 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 2k5f s VAL 14 Cb -0.12 -4.28 -0.27 0.00 0.00 0.00 0.00 36.38 31.72 2k5f s VAL 14 CO 0.01 -0.92 0.94 0.71 0.00 0.00 0.00 175.10 175.84 2k5f h THR 15 N 6.46 1.25 -1.77 3.92 1.35 -1.69 -0.80 112.91 121.62 2k5f h THR 15 Ca -0.27 -2.90 0.02 0.00 -0.55 0.00 0.00 66.41 62.71 2k5f h THR 15 Cb 1.10 2.78 -0.23 0.00 -1.73 0.00 0.00 68.15 70.08 2k5f h THR 15 CO 1.13 0.83 0.33 -0.94 -0.25 0.00 0.00 175.52 176.62 2k5f s SER 16 N -6.94 -0.56 -0.24 5.36 1.04 -0.97 -4.85 113.70 106.55 2k5f s SER 16 Ca -0.07 0.94 0.02 0.00 0.48 0.00 0.00 55.95 57.32 2k5f s SER 16 Cb 0.07 0.90 0.05 0.00 0.10 0.00 0.00 66.02 67.15 2k5f s SER 16 CO 0.85 -0.28 -0.13 0.54 0.98 0.00 0.00 173.24 175.20 2k5f s VAL 17 N -0.17 2.08 -0.43 5.02 0.11 -1.26 0.03 120.40 125.78 2k5f s VAL 17 Ca -0.01 -1.41 -0.18 0.00 -2.93 0.00 0.00 61.98 57.45 2k5f s VAL 17 Cb -0.03 -2.12 0.03 0.00 -1.53 0.00 0.00 36.38 32.72 2k5f s VAL 17 CO -0.00 0.12 0.47 0.00 -3.33 0.00 0.00 175.10 172.35 2k5f s ALA 18 N 1.18 3.42 0.15 1.54 0.00 -0.91 -4.94 121.76 122.19 2k5f s ALA 18 Ca -0.05 -1.52 -0.17 0.00 0.00 0.00 0.00 51.96 50.22 2k5f s ALA 18 Cb -0.18 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 19.88 2k5f s ALA 18 CO -0.07 -1.64 0.45 0.00 0.00 0.00 0.00 175.76 174.50 2k5f s ALA 19 N 2.21 -0.96 0.53 0.00 0.00 -1.26 -4.20 121.76 118.08 2k5f s ALA 19 Ca 0.13 -0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.79 2k5f s ALA 19 Cb -0.17 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 2k5f s ALA 19 CO 0.14 -0.70 1.34 -1.21 0.00 0.00 0.00 175.76 175.33 2k5f s GLU 20 N -3.82 3.24 0.24 0.00 0.41 -1.26 -4.50 118.70 113.00 2k5f s GLU 20 Ca 0.05 2.19 -0.15 0.00 -0.41 0.00 0.00 54.97 56.65 2k5f s GLU 20 Cb 0.01 -2.30 0.29 0.00 -1.78 0.00 0.00 34.13 30.35 2k5f s GLU 20 CO -0.09 -1.10 1.56 -1.35 -0.49 0.00 0.00 175.26 173.79 2k5f h PRO 21 N 1.57 -0.02 -0.55 0.39 0.10 -2.01 0.53 132.00 132.01 2k5f h PRO 21 Ca -0.51 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.56 2k5f h PRO 21 Cb 1.29 0.00 -0.02 0.00 0.10 0.00 0.00 31.00 32.37 2k5f h PRO 21 CO 0.58 -0.01 0.21 0.00 0.10 0.00 0.00 178.00 178.88 2k5f h ALA 22 N 1.51 0.72 -0.20 -0.75 0.00 -2.00 -2.16 119.26 116.38 2k5f h ALA 22 Ca 0.37 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2k5f h ALA 22 Cb 0.62 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k5f h ALA 22 CO -0.96 0.35 -0.49 0.28 0.00 0.00 0.00 179.25 178.43 2k5f h VAL 23 N 0.76 1.31 -0.76 0.00 2.07 -1.14 -1.27 116.25 117.23 2k5f h VAL 23 Ca 0.18 -1.71 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 2k5f h VAL 23 Cb 0.22 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2k5f h VAL 23 CO -0.01 0.54 0.29 -0.09 0.02 0.00 0.00 177.57 178.31 2k5f h ARG 24 N 0.40 1.14 -0.17 1.57 1.12 -0.03 0.07 114.38 118.47 2k5f h ARG 24 Ca -0.00 -0.21 -0.20 0.00 -1.11 0.00 0.00 59.98 58.46 2k5f h ARG 24 Cb 1.10 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.88 2k5f h ARG 24 CO 0.11 0.94 -0.68 -0.09 -3.11 0.00 0.00 179.97 177.13 2k5f h ARG 25 N 1.11 0.67 -0.64 0.20 2.43 -1.36 -2.36 114.38 114.43 2k5f h ARG 25 Ca 0.25 -0.50 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 2k5f h ARG 25 Cb 0.23 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2k5f h ARG 25 CO -0.02 1.12 0.39 -0.09 -1.51 0.00 0.00 179.97 179.86 2k5f h ARG 26 N 0.48 0.75 -0.70 0.20 2.43 -0.71 0.70 114.38 117.54 2k5f h ARG 26 Ca -0.02 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2k5f h ARG 26 Cb 1.28 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 2k5f h ARG 26 CO 0.13 0.49 0.19 -0.07 -1.51 0.00 0.00 179.97 179.21 2k5f h LEU 27 N 0.77 1.02 -0.77 3.80 3.38 -0.93 -2.08 115.31 120.51 2k5f h LEU 27 Ca 0.26 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2k5f h LEU 27 Cb 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2k5f h LEU 27 CO -0.11 0.96 -0.43 0.24 0.09 0.00 0.00 178.44 179.20 2k5f h MET 28 N 1.04 0.42 0.00 1.13 2.86 -0.81 0.24 114.93 119.81 2k5f h MET 28 Ca 0.22 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2k5f h MET 28 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2k5f h MET 28 CO -0.00 0.77 -0.27 -0.44 1.06 0.00 0.00 176.91 178.02 2k5f h ASP 29 N 0.34 0.00 0.08 1.22 3.32 -0.57 -2.62 116.42 118.19 2k5f h ASP 29 Ca 0.03 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.79 2k5f h ASP 29 Cb 0.89 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.47 2k5f h ASP 29 CO 0.07 0.27 -1.17 -0.07 -1.72 0.00 0.00 179.24 176.63 2k5f h LEU 30 N 0.00 0.90 0.00 1.55 3.38 -0.68 -3.48 115.31 116.98 2k5f h LEU 30 Ca -0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.18 2k5f h LEU 30 Cb 0.52 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2k5f h LEU 30 CO 0.04 1.59 0.00 0.61 0.09 0.00 0.00 178.44 180.76 2k5f n GLY 31 N 1.26 -0.77 3.41 0.83 0.00 -0.22 -4.91 105.19 104.79 2k5f n GLY 31 Ca -0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 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 5.13 0.38 0.99 0.20 0.70 -4.70 118.68 121.37 2k5f s LEU 32 Ca 0.00 -1.51 0.04 0.00 0.69 0.00 0.00 54.13 53.35 2k5f s LEU 32 Cb 0.00 -2.35 -0.03 0.00 -0.43 0.00 0.00 46.19 43.38 2k5f s LEU 32 CO 0.00 -1.16 0.13 0.68 -0.29 0.00 0.00 176.35 175.71 2k5f s VAL 33 N 2.91 0.58 -0.18 1.68 -7.23 -1.26 -2.96 120.40 113.94 2k5f s VAL 33 Ca 0.19 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.07 2k5f s VAL 33 Cb -0.17 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2k5f s VAL 33 CO 0.03 0.00 1.61 -0.60 -0.31 0.00 0.00 175.10 175.84 2k5f s ARG 34 N -3.73 3.89 0.00 4.82 3.00 -1.26 -1.62 118.95 124.05 2k5f s ARG 34 Ca 0.27 1.78 0.00 0.00 -1.00 0.00 0.00 55.73 56.79 2k5f s ARG 34 Cb 0.03 -4.01 0.00 0.00 0.00 0.00 0.00 34.95 30.97 2k5f s ARG 34 CO 0.16 -1.18 0.00 0.41 0.00 0.00 0.00 175.30 174.69 2k5f n GLY 35 N 4.50 0.63 3.77 8.12 0.00 -0.31 -5.03 105.19 116.87 2k5f n GLY 35 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 3.20 -0.26 4.61 0.00 -0.64 -4.79 121.76 121.89 2k5f s ALA 36 Ca 0.00 0.75 -0.08 0.00 0.00 0.00 0.00 51.96 52.63 2k5f s ALA 36 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2k5f s ALA 36 CO 0.00 -0.16 0.10 0.15 0.00 0.00 0.00 175.76 175.85 2k5f s LYS 37 N -2.08 3.76 0.08 0.00 1.02 -1.26 -0.80 119.74 120.45 2k5f s LYS 37 Ca 0.52 -0.42 0.10 0.00 0.02 0.00 0.00 55.97 56.19 2k5f s LYS 37 Cb -0.25 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.61 2k5f s LYS 37 CO 0.32 -0.16 -0.26 -0.48 -0.92 0.00 0.00 175.35 173.84 2k5f s LEU 38 N 1.60 2.22 -0.16 3.17 0.05 0.18 -0.31 118.68 125.43 2k5f s LEU 38 Ca 0.06 -0.64 0.01 0.00 0.05 0.00 0.00 54.13 53.61 2k5f s LEU 38 Cb -0.15 -1.23 0.02 0.00 -2.05 0.00 0.00 46.19 42.77 2k5f s LEU 38 CO 0.06 0.22 -0.16 -0.75 -0.55 0.00 0.00 176.35 175.17 2k5f s LYS 39 N -1.54 2.53 -0.26 1.48 2.20 0.75 -0.17 119.74 124.74 2k5f s LYS 39 Ca 0.12 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 2k5f s LYS 39 Cb -0.10 -2.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.95 2k5f s LYS 39 CO 0.03 -0.22 1.52 0.08 -0.36 0.00 0.00 175.35 176.41 2k5f s VAL 40 N 1.40 3.83 -0.13 4.02 1.01 -0.23 -0.21 120.40 130.09 2k5f s VAL 40 Ca 0.04 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 2k5f s VAL 40 Cb -0.13 -3.86 -0.27 0.00 0.00 0.00 0.00 36.38 32.12 2k5f s VAL 40 CO -0.11 -0.37 0.78 -0.07 0.00 0.00 0.00 175.10 175.33 2k5f h LEU 41 N 11.54 0.07 -7.06 3.92 3.38 -0.68 0.43 115.31 126.91 2k5f h LEU 41 Ca -0.31 -0.99 0.23 0.00 0.09 0.00 0.00 57.88 56.90 2k5f h LEU 41 Cb 1.13 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.69 2k5f h LEU 41 CO 1.02 1.07 0.73 -0.60 0.09 0.00 0.00 178.44 180.74 2k5f s ARG 42 N -2.25 0.47 0.03 1.13 3.52 -1.14 -4.43 118.95 116.27 2k5f s ARG 42 Ca -0.18 -0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.29 2k5f s ARG 42 Cb -0.02 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 2k5f s ARG 42 CO 0.71 -0.21 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.77 2k5f s PHE 43 N -2.62 2.62 1.02 5.12 0.08 -1.26 -1.71 117.98 121.22 2k5f s PHE 43 Ca 0.09 -0.22 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 2k5f s PHE 43 Cb -0.00 -1.50 0.20 0.00 -0.57 0.00 0.00 43.02 41.15 2k5f s PHE 43 CO -0.05 0.26 1.08 0.00 -0.10 0.00 0.00 175.22 176.41 2k5f s ALA 44 N -0.92 0.64 -2.00 5.36 0.00 -0.90 -4.80 121.76 119.15 2k5f s ALA 44 Ca 0.15 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.14 2k5f s ALA 44 Cb -0.11 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 19.81 2k5f s ALA 44 CO 0.05 -3.10 0.32 -0.35 0.00 0.00 0.00 175.76 172.68 2k5f n PRO 45 N -4.41 0.06 0.00 0.00 -0.04 -1.26 -0.38 135.00 128.96 2k5f n PRO 45 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2k5f n PRO 45 Cb 0.54 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.74 0.53 0.00 1.53 4.77 -1.26 -4.98 117.00 116.86 2k5f n LEU 46 Ca 0.01 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 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 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2k5f n GLY 47 N -0.10 0.68 3.18 -0.72 0.00 0.48 -4.98 105.19 103.73 2k5f n GLY 47 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2k5f n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5f s ASP 48 N -2.46 -0.26 0.99 1.61 -1.08 -1.26 -4.44 116.67 109.76 2k5f s ASP 48 Ca 0.00 0.79 -0.08 0.00 -0.52 0.00 0.00 52.55 52.74 2k5f s ASP 48 Cb 0.00 0.81 0.11 0.00 -1.46 0.00 0.00 42.92 42.37 2k5f s ASP 48 CO 0.00 -0.20 0.63 -0.81 0.52 0.00 0.00 175.17 175.31 2k5f n PRO 49 N 4.68 -0.60 -4.99 4.34 -0.04 -1.26 -4.64 135.00 132.49 2k5f n PRO 49 Ca -0.18 -0.99 -0.28 0.00 -0.04 0.00 0.00 63.50 62.00 2k5f n PRO 49 Cb 0.53 -0.65 -0.16 0.00 -0.04 0.00 0.00 33.50 33.17 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 -2.37 1.68 -0.31 0.52 1.01 0.18 -2.11 121.20 119.80 2k5f s ILE 50 Ca 0.36 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 2k5f s ILE 50 Cb -0.01 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 2k5f s ILE 50 CO 0.25 0.47 0.20 -1.61 0.00 0.00 0.00 174.94 174.26 2k5f s GLU 51 N 0.13 3.63 0.06 2.79 0.41 -0.70 -1.46 118.70 123.56 2k5f s GLU 51 Ca -0.08 -0.54 0.04 0.00 -0.41 0.00 0.00 54.97 53.98 2k5f s GLU 51 Cb -0.14 -3.69 -0.03 0.00 -1.78 0.00 0.00 34.13 28.50 2k5f s GLU 51 CO 0.04 -0.34 -0.12 0.14 -0.49 0.00 0.00 175.26 174.49 2k5f s VAL 52 N 1.71 0.93 -0.40 2.63 -7.23 -0.55 0.09 120.40 117.58 2k5f s VAL 52 Ca 0.06 -1.17 -0.10 0.00 -1.81 0.00 0.00 61.98 58.97 2k5f s VAL 52 Cb -0.17 -0.91 0.06 0.00 0.56 0.00 0.00 36.38 35.92 2k5f s VAL 52 CO 0.10 -0.23 0.23 0.21 -0.31 0.00 0.00 175.10 175.10 2k5f s ASN 53 N -1.56 5.66 -0.34 4.85 3.84 0.70 0.14 114.94 128.24 2k5f s ASN 53 Ca -0.04 -1.31 -0.08 0.00 0.21 0.00 0.00 52.86 51.64 2k5f s ASN 53 Cb -0.09 -2.00 0.02 0.00 -0.55 0.00 0.00 41.25 38.64 2k5f s ASN 53 CO 0.02 -0.48 0.14 0.00 -2.79 0.00 0.00 177.10 173.98 2k5f n ASN 55 N 4.90 -4.96 0.00 0.00 3.02 0.57 -0.86 115.26 117.93 2k5f n ASN 55 Ca -0.13 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2k5f n ASN 55 Cb 0.46 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 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 -0.80 0.57 3.72 7.41 0.00 -1.26 -5.06 105.19 109.77 2k5f n GLY 56 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 4.10 -0.63 1.61 -1.94 -0.04 -5.05 119.30 116.53 2k5f s MET 57 Ca 0.00 -0.24 -0.26 0.00 -1.71 0.00 0.00 55.69 53.48 2k5f s MET 57 Cb 0.00 -3.36 0.04 0.00 2.01 0.00 0.00 34.83 33.52 2k5f s MET 57 CO 0.00 0.32 1.09 -0.51 -0.01 0.00 0.00 175.02 175.92 2k5f s LEU 58 N 0.28 3.76 -0.15 -0.03 1.43 -1.26 0.20 118.68 122.91 2k5f s LEU 58 Ca 0.07 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2k5f s LEU 58 Cb -0.11 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 2k5f s LEU 58 CO -0.01 -1.49 0.03 -0.76 0.23 0.00 0.00 176.35 174.35 2k5f s LEU 59 N 4.68 3.69 -0.27 1.79 1.43 0.12 -4.97 118.68 125.15 2k5f s LEU 59 Ca 0.33 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 2k5f s LEU 59 Cb -0.11 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2k5f s LEU 59 CO 0.18 0.24 0.14 -0.89 0.23 0.00 0.00 176.35 176.24 2k5f s THR 60 N -0.03 4.86 0.29 5.49 2.01 -1.26 -1.48 115.64 125.51 2k5f s THR 60 Ca 0.05 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.08 2k5f s THR 60 Cb -0.12 -3.30 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 2k5f s THR 60 CO 0.01 0.28 0.06 -0.04 -0.69 0.00 0.00 174.62 174.25 2k5f s MET 61 N 1.69 1.52 0.60 4.92 -1.94 -0.54 -4.96 119.30 120.59 2k5f s MET 61 Ca 0.07 -1.83 0.04 0.00 -1.71 0.00 0.00 55.69 52.26 2k5f s MET 61 Cb -0.16 -0.65 0.08 0.00 2.01 0.00 0.00 34.83 36.11 2k5f s MET 61 CO 0.08 -0.20 0.82 1.03 -0.01 0.00 0.00 175.02 176.74 2k5f s ARG 62 N -3.93 2.22 0.33 2.03 3.00 -1.26 0.49 118.95 121.84 2k5f s ARG 62 Ca 0.35 -1.21 0.05 0.00 0.00 0.00 0.00 55.73 54.93 2k5f s ARG 62 Cb 0.08 -2.52 0.58 0.00 0.00 0.00 0.00 34.95 33.09 2k5f s ARG 62 CO 0.14 -0.94 1.83 -0.09 0.00 0.00 0.00 175.30 176.24 2k5f h ARG 63 N -0.02 0.43 -0.31 3.54 2.43 -1.93 -3.17 114.38 115.35 2k5f h ARG 63 Ca -0.36 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 2k5f h ARG 63 Cb 1.28 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.72 2k5f h ARG 63 CO 0.44 0.55 -0.06 -0.91 -1.51 0.00 0.00 179.97 178.48 2k5f h ASN 64 N 0.40 -0.26 -0.17 -3.80 2.35 -1.95 -0.53 115.58 111.62 2k5f h ASN 64 Ca 0.08 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 2k5f h ASN 64 Cb 0.46 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 2k5f h ASN 64 CO 0.03 -0.09 0.08 -0.33 -1.65 0.00 0.00 177.43 175.46 2k5f h GLU 65 N 0.02 0.26 -0.20 0.81 3.07 -1.91 -2.87 114.58 113.74 2k5f h GLU 65 Ca 0.15 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 2k5f h GLU 65 Cb 0.23 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2k5f h GLU 65 CO -0.31 0.31 -0.02 0.00 -1.40 0.00 0.00 179.01 177.59 2k5f h ALA 66 N 0.93 1.60 -0.56 3.43 0.00 -1.36 -0.59 119.26 122.71 2k5f h ALA 66 Ca 0.06 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2k5f h ALA 66 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2k5f h ALA 66 CO -0.01 0.30 0.05 0.93 0.00 0.00 0.00 179.25 180.52 2k5f h GLU 67 N 0.29 0.95 -0.05 0.00 4.39 -1.02 -2.06 114.58 117.08 2k5f h GLU 67 Ca 0.07 -0.27 -0.09 0.00 0.34 0.00 0.00 59.36 59.40 2k5f h GLU 67 Cb 0.23 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2k5f h GLU 67 CO 0.01 0.93 -0.38 0.78 -1.16 0.00 0.00 179.01 179.19 2k5f h GLY 68 N 0.84 0.12 -4.47 -3.84 0.00 -0.97 -3.45 103.07 91.30 2k5f h GLY 68 Ca 0.16 -0.10 -0.54 0.00 0.00 0.00 0.00 47.33 46.85 2k5f h GLY 68 CO 0.02 0.09 0.47 -0.42 0.00 0.00 0.00 176.54 176.70 2k5f s ILE 69 N -4.19 4.52 -0.26 2.60 1.01 -0.36 -2.14 121.20 122.38 2k5f s ILE 69 Ca -0.04 1.81 -0.09 0.00 0.00 0.00 0.00 60.65 62.34 2k5f s ILE 69 Cb 0.14 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2k5f s ILE 69 CO 0.75 0.13 0.12 -0.89 0.00 0.00 0.00 174.94 175.05 2k5f s THR 70 N 1.13 4.76 0.34 2.92 2.01 0.10 -1.32 115.64 125.60 2k5f s THR 70 Ca 0.55 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.60 2k5f s THR 70 Cb -0.24 -3.25 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 2k5f s THR 70 CO 0.28 0.30 -0.03 0.68 -0.69 0.00 0.00 174.62 175.16 2k5f s VAL 71 N 1.67 1.83 -0.07 3.82 -7.23 0.14 -1.83 120.40 118.73 2k5f s VAL 71 Ca 0.07 -2.09 -0.00 0.00 -1.81 0.00 0.00 61.98 58.14 2k5f s VAL 71 Cb -0.15 -2.72 0.02 0.00 0.56 0.00 0.00 36.38 34.09 2k5f s VAL 71 CO 0.07 -0.14 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.41 2k5f s HIS 72 N -2.87 0.86 0.16 2.82 2.46 -0.03 -3.46 115.29 115.23 2k5f s HIS 72 Ca 0.33 -0.29 -0.31 0.00 0.47 0.00 0.00 55.06 55.26 2k5f s HIS 72 Cb 0.06 -0.84 -0.11 0.00 -0.13 0.00 0.00 32.58 31.56 2k5f s HIS 72 CO 0.15 -0.31 1.70 0.42 -2.47 0.00 0.00 174.74 174.23 2k5f s ILE 73 N 1.55 2.45 -1.17 0.89 1.01 -1.26 -0.10 121.20 124.56 2k5f s ILE 73 Ca -0.01 0.20 -0.18 0.00 0.00 0.00 0.00 60.65 60.66 2k5f s ILE 73 Cb -0.13 -3.13 0.10 0.00 0.01 0.00 0.00 42.46 39.32 2k5f s ILE 73 CO -0.04 0.01 1.51 -0.76 0.00 0.00 0.00 174.94 175.66 2k5f s LEU 74 N 1.80 4.29 -0.12 2.97 1.43 0.38 -4.87 118.68 124.55 2k5f s LEU 74 Ca 0.75 -2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 51.19 2k5f s LEU 74 Cb -0.46 -2.50 0.09 0.00 0.03 0.00 0.00 46.19 43.35 2k5f s LEU 74 CO 0.33 -1.10 0.80 0.00 0.23 0.00 0.00 176.35 176.61 2k5f s ALA 75 N 3.40 -1.83 -1.28 4.21 0.00 -1.26 -4.90 121.76 120.10 2k5f s ALA 75 Ca 0.46 1.50 -0.15 0.00 0.00 0.00 0.00 51.96 53.78 2k5f s ALA 75 Cb 0.00 -0.41 0.12 0.00 0.00 0.00 0.00 23.12 22.84 2k5f s ALA 75 CO -0.00 -0.34 1.68 0.41 0.00 0.00 0.00 175.76 177.51 2k5f n GLY 76 N 1.09 3.40 1.27 0.00 0.00 -1.26 -4.96 105.19 104.74 2k5f n GLY 76 Ca -0.15 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 2k5f n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k5f n ASP 77 N 6.37 0.19 0.22 1.61 2.03 -1.26 -5.01 116.55 120.71 2k5f n ASP 77 Ca 0.43 -1.24 -0.15 0.00 0.52 0.00 0.00 54.79 54.35 2k5f n ASP 77 Cb 0.43 -0.29 -0.08 0.00 -0.72 0.00 0.00 41.12 40.46 2k5f n ASP 77 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k5f h GLU 78 N 0.00 -0.54 -1.39 -0.67 4.81 -2.05 -3.40 114.58 111.34 2k5f h GLU 78 Ca -0.13 0.04 -0.43 0.00 -0.13 0.00 0.00 59.36 58.70 2k5f h GLU 78 Cb 0.39 0.12 -0.30 0.00 0.63 0.00 0.00 28.75 29.60 2k5f h GLU 78 CO 0.11 -0.26 -0.86 0.41 -0.73 0.00 0.00 179.01 177.68 2k5f n GLY 79 N -0.72 1.67 3.78 1.92 0.00 -1.26 -5.13 105.19 105.45 2k5f n GLY 79 Ca -0.11 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.31 3.43 -0.34 1.61 -3.43 -1.26 -4.96 115.29 110.02 2k5f s HIS 80 Ca 0.33 1.69 -0.28 0.00 -0.80 0.00 0.00 55.06 56.00 2k5f s HIS 80 Cb 0.16 -3.11 -0.01 0.00 -1.43 0.00 0.00 32.58 28.18 2k5f s HIS 80 CO -0.16 -0.41 1.74 -1.25 -2.00 0.00 0.00 174.74 172.66 2k5f s PRO 81 N -2.17 3.37 0.58 -0.38 0.04 -1.26 -4.99 135.00 130.18 2k5f s PRO 81 Ca 0.53 1.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.78 2k5f s PRO 81 Cb -0.23 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.08 2k5f s PRO 81 CO 0.29 -1.81 1.02 -3.38 0.04 0.00 0.00 177.00 173.16 2k5f s HIS 82 N 6.66 3.40 0.16 0.56 -3.43 -1.26 -5.06 115.29 116.33 2k5f s HIS 82 Ca 0.77 1.41 -0.24 0.00 -0.80 0.00 0.00 55.06 56.21 2k5f s HIS 82 Cb -0.21 -2.81 0.07 0.00 -1.43 0.00 0.00 32.58 28.20 2k5f s HIS 82 CO 0.33 -0.67 1.02 0.20 -2.00 0.00 0.00 174.74 173.62 2k5f s GLY 83 N -3.45 -0.04 -0.04 -1.38 0.00 -1.26 -5.17 107.32 95.98 2k5f s GLY 83 Ca 0.58 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 45.22 2k5f s GLY 83 CO 0.42 1.32 -0.11 0.86 0.00 0.00 0.00 173.10 175.59 2k5f s TRP 84 N -2.61 2.81 -1.99 1.90 -0.11 -1.26 -5.01 118.94 112.67 2k5f s TRP 84 Ca 0.18 -0.08 0.31 0.00 1.22 0.00 0.00 56.10 57.73 2k5f s TRP 84 Cb -0.02 -1.64 1.85 0.00 -1.50 0.00 0.00 33.47 32.16 2k5f s TRP 84 CO 0.04 0.28 2.17 -0.35 -4.62 0.00 0.00 176.95 174.47 2k5f n PRO 85 N 2.09 0.96 0.00 5.86 -0.04 -1.26 -4.94 135.00 137.67 2k5f n PRO 85 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2k5f n PRO 85 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2k5f n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5f n GLY 86 N 0.94 2.10 2.57 0.55 0.00 -1.26 -4.85 105.19 105.24 2k5f n GLY 86 Ca 0.23 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -3.65 -3.87 1.61 7.35 -1.26 -5.05 117.46 112.59 2k5f n PHE 87 Ca 0.00 1.68 -0.27 0.00 -0.76 0.00 0.00 57.45 58.10 2k5f n PHE 87 Cb 0.00 -3.75 -0.17 0.00 0.35 0.00 0.00 39.48 35.91 2k5f n PHE 87 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2k5f s ARG 88 N -1.37 1.29 0.24 -4.13 3.00 -1.26 -5.08 118.95 111.64 2k5f s ARG 88 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 55.73 55.40 2k5f s ARG 88 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 34.95 33.28 2k5f s ARG 88 CO 0.70 -0.35 0.00 -2.13 0.00 0.00 0.00 175.30 173.52 2k5f n ARG 89 N 4.96 -1.71 -2.54 3.54 0.63 -1.26 -5.02 116.66 115.27 2k5f n ARG 89 Ca -0.11 1.32 -0.24 0.00 -0.92 0.00 0.00 57.85 57.90 2k5f n ARG 89 Cb 0.49 -1.63 0.10 0.00 0.45 0.00 0.00 32.46 31.87 2k5f n ARG 89 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 2k5f s ARG 90 N -4.63 1.78 -0.01 -0.14 3.03 -1.26 -5.05 118.95 112.67 2k5f s ARG 90 Ca 0.00 -0.98 0.01 0.00 2.03 0.00 0.00 55.73 56.79 2k5f s ARG 90 Cb 0.00 -2.32 -0.01 0.00 -1.03 0.00 0.00 34.95 31.59 2k5f s ARG 90 CO 0.00 -1.38 0.00 1.58 -1.13 0.00 0.00 175.30 174.37 2k5f n HIS 91 N -2.82 0.00 -4.68 5.89 -0.00 -1.26 -5.06 115.22 107.29 2k5f n HIS 91 Ca 0.14 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 58.06 2k5f n HIS 91 Cb 0.60 -0.03 -0.14 0.00 -0.12 0.00 0.00 29.99 30.30 2k5f n HIS 91 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2k5f s ARG 92 N -2.01 1.40 -0.32 1.57 1.70 -1.26 -5.10 118.95 114.93 2k5f s ARG 92 Ca -0.00 -0.88 0.03 0.00 -0.47 0.00 0.00 55.73 54.40 2k5f s ARG 92 Cb 0.00 -1.47 0.09 0.00 -0.57 0.00 0.00 34.95 33.00 2k5f s ARG 92 CO 0.03 0.38 0.04 0.12 -1.08 0.00 0.00 175.30 174.78 2k5f s PHE 93 N -0.74 3.21 -0.46 5.89 5.36 -1.26 -5.09 117.98 124.90 2k5f s PHE 93 Ca 0.07 -2.60 -0.23 0.00 -0.96 0.00 0.00 56.93 53.21 2k5f s PHE 93 Cb -0.08 -2.50 0.03 0.00 -0.34 0.00 0.00 43.02 40.13 2k5f s PHE 93 CO 0.01 -0.92 0.77 0.20 -1.46 0.00 0.00 175.22 173.83 2k5f s GLY 94 N 1.10 1.61 0.00 13.12 0.00 -1.26 -4.95 107.32 116.93 2k5f s GLY 94 Ca 0.08 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.72 2k5f s GLY 94 CO -0.11 1.76 0.00 0.58 0.00 0.00 0.00 173.10 175.33 2k5f n LYS 95 N 6.69 0.00 -3.64 2.90 2.85 -1.26 -5.19 118.16 120.51 2k5f n LYS 95 Ca 0.01 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.15 2k5f n LYS 95 Cb 0.48 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.79 2k5f n LYS 95 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2k5f s ARG 96 N -2.00 0.80 -0.43 -1.58 6.06 -1.26 -5.12 118.95 115.42 2k5f s ARG 96 Ca 0.00 1.03 -0.10 0.00 -2.50 0.00 0.00 55.73 54.16 2k5f s ARG 96 Cb 0.00 0.35 0.08 0.00 0.06 0.00 0.00 34.95 35.44 2k5f s ARG 96 CO 0.00 -0.11 0.30 0.00 -2.50 0.00 0.00 175.30 172.99 2k5f s ALA 97 N 0.64 3.35 -0.30 6.12 0.00 -1.26 -4.94 121.76 125.38 2k5f s ALA 97 Ca -0.02 -2.18 0.08 0.00 0.00 0.00 0.00 51.96 49.85 2k5f s ALA 97 Cb -0.05 -2.75 0.51 0.00 0.00 0.00 0.00 23.12 20.83 2k5f s ALA 97 CO -0.03 -1.69 1.48 1.47 0.00 0.00 0.00 175.76 176.99 2k5f n LEU 98 N 4.98 4.22 -4.49 0.00 -0.00 -1.26 -4.97 117.00 115.48 2k5f n LEU 98 Ca -0.10 -3.80 -0.33 0.00 -0.00 0.00 0.00 56.01 51.77 2k5f n LEU 98 Cb 0.43 -0.65 -0.13 0.00 -0.00 0.00 0.00 43.42 43.08 2k5f n LEU 98 CO 0.41 1.28 -0.41 -1.61 -0.00 0.00 0.00 177.39 177.05 2k5f s GLU 99 N -3.26 2.98 -1.05 1.47 0.41 -1.26 -5.06 118.70 112.93 2k5f s GLU 99 Ca 0.45 -0.62 -0.09 0.00 -0.41 0.00 0.00 54.97 54.30 2k5f s GLU 99 Cb 0.41 -2.59 0.26 0.00 -1.78 0.00 0.00 34.13 30.44 2k5f s GLU 99 CO -0.00 0.48 1.02 -1.01 -0.49 0.00 0.00 175.26 175.26 2k5f s HIS 100 N -0.33 4.16 -0.04 1.61 3.76 -1.26 -5.00 115.29 118.19 2k5f s HIS 100 Ca 0.04 -2.62 0.04 0.00 -0.15 0.00 0.00 55.06 52.36 2k5f s HIS 100 Cb -0.13 -3.78 -0.00 0.00 1.11 0.00 0.00 32.58 29.79 2k5f s HIS 100 CO 0.02 -0.94 -0.15 -1.58 -0.85 0.00 0.00 174.74 171.25 2k5f s HIS 101 N -1.05 1.51 0.28 1.40 5.04 -1.26 -5.11 115.29 116.09 2k5f s HIS 101 Ca 0.28 -0.43 -0.30 0.00 -1.54 0.00 0.00 55.06 53.07 2k5f s HIS 101 Cb -0.10 -1.03 -0.12 0.00 0.04 0.00 0.00 32.58 31.37 2k5f s HIS 101 CO -0.08 -0.15 1.47 -2.39 -2.34 0.00 0.00 174.74 171.24 2k5f n HIS 102 N 3.21 2.47 -3.80 3.88 1.44 -1.26 -5.00 115.22 116.16 2k5f n HIS 102 Ca -0.18 0.38 -0.13 0.00 -2.01 0.00 0.00 57.72 55.78 2k5f n HIS 102 Cb 0.53 -2.51 -0.09 0.00 0.12 0.00 0.00 29.99 28.04 2k5f n HIS 102 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k5f s HIS 103 N -0.20 -0.11 -0.18 -1.40 -3.43 -1.26 -5.06 115.29 103.64 2k5f s HIS 103 Ca 0.64 0.16 0.10 0.00 -0.80 0.00 0.00 55.06 55.17 2k5f s HIS 103 Cb -0.57 0.05 -0.18 0.00 -1.43 0.00 0.00 32.58 30.44 2k5f s HIS 103 CO 0.51 -0.34 -0.03 0.72 -2.00 0.00 0.00 174.74 173.61 2k5f n HIS 104 N 1.44 0.00 -1.84 0.38 8.25 -1.26 -5.32 115.22 116.87 2k5f n HIS 104 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2k5f n HIS 104 Cb 0.56 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.86 2k5f n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56