#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 3.84 0.40 3.17 3.01 -1.26 0.40 119.74 129.31 2k5f s LYS 2 Ca 0.00 1.25 0.13 0.00 -1.01 0.00 0.00 55.97 56.34 2k5f s LYS 2 Cb 0.00 -2.11 0.84 0.00 -1.01 0.00 0.00 37.83 35.55 2k5f s LYS 2 CO 0.00 -0.38 1.90 1.25 0.51 0.00 0.00 175.35 178.63 2k5f h LEU 3 N 1.43 0.02 -1.46 3.17 5.85 -0.65 -0.70 115.31 122.97 2k5f h LEU 3 Ca -0.49 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2k5f h LEU 3 Cb 1.21 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 2k5f h LEU 3 CO 0.59 0.30 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.59 2k5f h SER 4 N 0.02 0.00 0.14 1.25 0.87 -1.72 -2.77 113.55 111.33 2k5f h SER 4 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k5f h SER 4 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2k5f h SER 4 CO 0.04 0.13 -0.14 -0.62 -0.53 0.00 0.00 176.83 175.70 2k5f n GLU 5 N -3.33 1.17 -1.64 2.24 1.02 -0.29 -4.90 120.64 114.91 2k5f n GLU 5 Ca -0.00 -0.67 -0.30 0.00 -0.02 0.00 0.00 57.16 56.17 2k5f n GLU 5 Cb 0.34 -1.49 0.09 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.29 2.57 0.29 -4.62 1.43 -1.05 -4.93 118.68 110.08 2k5f s LEU 6 Ca 0.30 1.19 0.11 0.00 -1.03 0.00 0.00 54.13 54.70 2k5f s LEU 6 Cb 0.20 -3.78 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2k5f s LEU 6 CO 0.44 -1.93 -0.15 -0.54 0.23 0.00 0.00 176.35 174.41 2k5f s LYS 7 N -5.24 1.79 -0.06 1.70 1.02 -1.26 -5.05 119.74 112.64 2k5f s LYS 7 Ca 0.61 -1.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 2k5f s LYS 7 Cb -0.14 -1.81 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 2k5f s LYS 7 CO 0.53 0.29 1.87 0.00 -0.92 0.00 0.00 175.35 177.12 2k5f s ALA 8 N -2.51 3.44 0.00 5.17 0.00 -1.26 -1.30 121.76 125.30 2k5f s ALA 8 Ca 0.31 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2k5f s ALA 8 Cb -0.04 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2k5f s ALA 8 CO 0.16 -1.74 0.00 0.41 0.00 0.00 0.00 175.76 174.59 2k5f n GLY 9 N 4.60 0.95 3.76 0.00 0.00 0.26 -5.03 105.19 109.75 2k5f n GLY 9 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.82 7.53 -0.07 1.61 1.11 -0.42 -4.81 116.67 119.79 2k5f s ASP 10 Ca 0.00 1.91 0.03 0.00 0.18 0.00 0.00 52.55 54.67 2k5f s ASP 10 Cb 0.00 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.40 2k5f s ASP 10 CO 0.00 0.07 -0.18 -0.60 1.18 0.00 0.00 175.17 175.64 2k5f s ARG 11 N -1.50 2.27 0.30 8.23 3.52 -1.26 -0.96 118.95 129.55 2k5f s ARG 11 Ca 0.44 -0.65 0.03 0.00 -0.13 0.00 0.00 55.73 55.43 2k5f s ARG 11 Cb -0.23 -1.81 -0.03 0.00 -1.56 0.00 0.00 34.95 31.32 2k5f s ARG 11 CO 0.29 0.14 0.28 0.00 -0.81 0.00 0.00 175.30 175.20 2k5f s ALA 12 N 0.40 1.42 -0.07 6.12 0.00 0.03 -1.94 121.76 127.72 2k5f s ALA 12 Ca -0.14 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.03 2k5f s ALA 12 Cb -0.16 1.39 -0.01 0.00 0.00 0.00 0.00 23.12 24.34 2k5f s ALA 12 CO 0.06 -0.68 -0.23 -2.00 0.00 0.00 0.00 175.76 172.91 2k5f s GLU 13 N -3.57 2.52 -0.33 0.00 2.12 0.14 -0.47 118.70 119.11 2k5f s GLU 13 Ca 0.38 -0.83 -0.29 0.00 0.36 0.00 0.00 54.97 54.59 2k5f s GLU 13 Cb 0.03 -2.06 -0.01 0.00 0.26 0.00 0.00 34.13 32.35 2k5f s GLU 13 CO 0.22 0.29 1.53 0.08 -0.54 0.00 0.00 175.26 176.84 2k5f s VAL 14 N 0.04 3.80 -0.09 3.70 1.01 0.33 0.23 120.40 129.41 2k5f s VAL 14 Ca -0.08 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 2k5f s VAL 14 Cb -0.15 -3.95 -0.26 0.00 0.00 0.00 0.00 36.38 32.03 2k5f s VAL 14 CO 0.05 -0.52 0.47 0.71 0.00 0.00 0.00 175.10 175.81 2k5f h THR 15 N 6.37 0.71 -2.10 3.92 1.35 -1.71 0.19 112.91 121.64 2k5f h THR 15 Ca -0.30 -2.45 -0.05 0.00 -0.55 0.00 0.00 66.41 63.06 2k5f h THR 15 Cb 1.13 2.51 -0.25 0.00 -1.73 0.00 0.00 68.15 69.81 2k5f h THR 15 CO 1.04 0.81 -0.33 -0.44 -0.25 0.00 0.00 175.52 176.36 2k5f s SER 16 N -6.85 -0.49 -0.43 5.36 0.01 -1.04 -4.79 113.70 105.47 2k5f s SER 16 Ca -0.18 0.96 -0.17 0.00 1.31 0.00 0.00 55.95 57.87 2k5f s SER 16 Cb 0.07 1.61 0.03 0.00 0.21 0.00 0.00 66.02 67.94 2k5f s SER 16 CO 0.79 -0.25 0.43 0.54 0.41 0.00 0.00 173.24 175.17 2k5f s VAL 17 N 2.69 5.10 -0.51 3.43 0.11 -1.26 -0.29 120.40 129.68 2k5f s VAL 17 Ca 0.03 -0.46 -0.18 0.00 -2.93 0.00 0.00 61.98 58.43 2k5f s VAL 17 Cb -0.13 -4.05 0.06 0.00 -1.53 0.00 0.00 36.38 30.73 2k5f s VAL 17 CO -0.16 -0.45 0.59 0.00 -3.33 0.00 0.00 175.10 171.75 2k5f s ALA 18 N 2.08 3.42 0.28 1.54 0.00 -0.64 -4.91 121.76 123.53 2k5f s ALA 18 Ca 0.11 -1.85 -0.13 0.00 0.00 0.00 0.00 51.96 50.09 2k5f s ALA 18 Cb -0.18 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2k5f s ALA 18 CO 0.12 -1.99 0.56 0.00 0.00 0.00 0.00 175.76 174.45 2k5f s ALA 19 N 2.47 -0.32 0.55 0.00 0.00 -1.26 -4.11 121.76 119.09 2k5f s ALA 19 Ca 0.13 -0.86 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 2k5f s ALA 19 Cb -0.21 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 2k5f s ALA 19 CO 0.10 -0.89 1.19 -1.21 0.00 0.00 0.00 175.76 174.95 2k5f s GLU 20 N -3.65 3.26 0.29 0.00 8.01 -1.26 -4.65 118.70 120.70 2k5f s GLU 20 Ca 0.21 1.78 0.04 0.00 0.01 0.00 0.00 54.97 57.01 2k5f s GLU 20 Cb -0.02 -2.07 0.75 0.00 -4.31 0.00 0.00 34.13 28.48 2k5f s GLU 20 CO 0.11 -0.97 1.67 -1.00 0.01 0.00 0.00 175.26 175.08 2k5f h PRO 21 N 1.25 0.29 -0.01 0.39 0.13 -2.01 0.25 132.00 132.29 2k5f h PRO 21 Ca -0.50 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 2k5f h PRO 21 Cb 1.28 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k5f h PRO 21 CO 0.57 0.19 -0.07 0.00 -0.23 0.00 0.00 178.00 178.46 2k5f h ALA 22 N 1.76 0.03 -0.67 -0.56 0.00 -2.00 -3.08 119.26 114.74 2k5f h ALA 22 Ca 0.57 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2k5f h ALA 22 Cb 1.15 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2k5f h ALA 22 CO -0.59 -0.09 0.13 0.28 0.00 0.00 0.00 179.25 178.98 2k5f h VAL 23 N -0.56 1.26 0.04 0.00 2.07 -1.63 -1.27 116.25 116.17 2k5f h VAL 23 Ca -0.00 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.53 2k5f h VAL 23 Cb 0.74 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2k5f h VAL 23 CO 0.01 0.38 -0.12 -0.09 0.02 0.00 0.00 177.57 177.77 2k5f h ARG 24 N 1.02 -0.22 0.00 1.57 2.43 -0.65 -0.49 114.38 118.04 2k5f h ARG 24 Ca 0.21 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2k5f h ARG 24 Cb 0.40 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2k5f h ARG 24 CO 0.01 -0.15 -0.33 0.00 -1.51 0.00 0.00 179.97 177.99 2k5f h ARG 25 N -0.23 0.00 -0.22 0.20 3.08 -1.41 0.42 114.38 116.22 2k5f h ARG 25 Ca 0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2k5f h ARG 25 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2k5f h ARG 25 CO -0.09 0.33 -0.43 0.00 -1.07 0.00 0.00 179.97 178.71 2k5f h ARG 26 N 0.00 0.53 -0.31 0.04 3.08 -0.78 0.21 114.38 117.14 2k5f h ARG 26 Ca -0.00 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.63 2k5f h ARG 26 Cb 0.90 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 2k5f h ARG 26 CO 0.04 0.86 -0.35 -0.07 -1.07 0.00 0.00 179.97 179.38 2k5f h LEU 27 N 0.43 0.84 -0.79 3.04 3.38 -0.60 -2.68 115.31 118.93 2k5f h LEU 27 Ca 0.03 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.56 2k5f h LEU 27 Cb 0.93 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 2k5f h LEU 27 CO 0.08 1.15 0.49 0.24 0.09 0.00 0.00 178.44 180.50 2k5f h MET 28 N 0.55 0.90 -0.17 1.13 2.86 -0.67 0.13 114.93 119.66 2k5f h MET 28 Ca 0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k5f h MET 28 Cb 0.93 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 2k5f h MET 28 CO 0.08 0.60 0.11 0.22 1.06 0.00 0.00 176.91 178.98 2k5f h ASP 29 N 0.93 0.20 -0.12 1.22 3.58 -0.53 0.37 116.42 122.08 2k5f h ASP 29 Ca 0.33 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.77 2k5f h ASP 29 Cb 0.08 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2k5f h ASP 29 CO -0.14 0.15 0.00 0.18 -2.88 0.00 0.00 179.24 176.55 2k5f n LEU 30 N -4.51 0.88 0.00 2.28 4.77 -0.13 -4.86 117.00 115.43 2k5f n LEU 30 Ca -0.00 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2k5f n LEU 30 Cb 0.08 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k5f n LEU 30 CO 0.35 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2k5f n GLY 31 N 0.90 0.39 3.47 -0.72 0.00 0.12 -4.89 105.19 104.46 2k5f n GLY 31 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 4.87 0.00 0.99 0.20 0.28 -4.76 118.68 120.26 2k5f s LEU 32 Ca 0.00 -2.37 0.00 0.00 0.69 0.00 0.00 54.13 52.45 2k5f s LEU 32 Cb 0.00 -2.42 -0.00 0.00 -0.43 0.00 0.00 46.19 43.34 2k5f s LEU 32 CO 0.00 -0.99 0.01 1.33 -0.29 0.00 0.00 176.35 176.42 2k5f n VAL 33 N 5.33 0.00 -2.27 1.68 0.24 -1.26 -2.61 118.33 119.44 2k5f n VAL 33 Ca 0.31 -1.87 -0.43 0.00 -2.04 0.00 0.00 64.34 60.32 2k5f n VAL 33 Cb 0.47 0.40 -0.02 0.00 -1.47 0.00 0.00 33.84 33.22 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 -3.40 4.22 0.00 7.34 3.52 -1.26 -1.96 118.95 127.40 2k5f s ARG 34 Ca 0.02 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 57.48 2k5f s ARG 34 Cb 0.00 -3.83 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 2k5f s ARG 34 CO 0.01 -0.75 0.00 0.41 -0.81 0.00 0.00 175.30 174.17 2k5f n GLY 35 N 3.79 0.52 3.69 8.12 0.00 0.66 -5.02 105.19 116.95 2k5f n GLY 35 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 3.44 -0.15 4.61 0.00 -0.83 -4.81 121.76 122.01 2k5f s ALA 36 Ca 0.00 0.60 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 2k5f s ALA 36 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2k5f s ALA 36 CO 0.00 -0.64 0.43 0.15 0.00 0.00 0.00 175.76 175.70 2k5f s LYS 37 N 1.91 4.27 0.02 0.00 1.02 -1.26 -0.51 119.74 125.19 2k5f s LYS 37 Ca 0.55 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.87 2k5f s LYS 37 Cb -0.24 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2k5f s LYS 37 CO 0.23 0.09 -0.03 -0.48 -0.92 0.00 0.00 175.35 174.24 2k5f s LEU 38 N 0.86 2.19 -0.11 3.17 2.34 0.38 -2.29 118.68 125.22 2k5f s LEU 38 Ca 0.23 -0.39 0.02 0.00 0.06 0.00 0.00 54.13 54.04 2k5f s LEU 38 Cb -0.15 0.03 -0.01 0.00 -0.56 0.00 0.00 46.19 45.50 2k5f s LEU 38 CO 0.08 -0.21 -0.16 -0.75 -1.06 0.00 0.00 176.35 174.25 2k5f s LYS 39 N -1.14 3.12 -0.11 1.48 2.20 -0.42 -0.79 119.74 124.08 2k5f s LYS 39 Ca -0.11 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 54.46 2k5f s LYS 39 Cb -0.08 -2.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.71 2k5f s LYS 39 CO -0.01 0.29 1.48 0.08 -0.36 0.00 0.00 175.35 176.83 2k5f s VAL 40 N 0.13 3.90 -0.08 4.02 1.01 -0.13 -0.62 120.40 128.63 2k5f s VAL 40 Ca -0.08 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 2k5f s VAL 40 Cb -0.15 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2k5f s VAL 40 CO 0.05 -0.10 -0.10 -0.07 0.00 0.00 0.00 175.10 174.88 2k5f h LEU 41 N 10.05 0.00 -7.55 3.92 3.38 -1.24 0.77 115.31 124.64 2k5f h LEU 41 Ca -0.33 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2k5f h LEU 41 Cb 1.14 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 2k5f h LEU 41 CO 0.96 0.44 -0.16 -0.60 0.09 0.00 0.00 178.44 179.18 2k5f s ARG 42 N -1.72 1.03 0.19 1.13 6.06 -0.91 -4.52 118.95 120.21 2k5f s ARG 42 Ca -0.08 -0.80 0.10 0.00 -2.50 0.00 0.00 55.73 52.45 2k5f s ARG 42 Cb 0.01 0.43 -0.04 0.00 0.06 0.00 0.00 34.95 35.41 2k5f s ARG 42 CO 0.12 -0.39 -0.17 -0.06 -2.50 0.00 0.00 175.30 172.31 2k5f s PHE 43 N -3.83 2.47 0.75 5.12 0.40 -1.26 -1.12 117.98 120.51 2k5f s PHE 43 Ca 0.04 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 55.97 2k5f s PHE 43 Cb 0.03 -1.21 0.04 0.00 0.51 0.00 0.00 43.02 42.39 2k5f s PHE 43 CO -0.11 0.51 1.08 0.00 0.70 0.00 0.00 175.22 177.41 2k5f s ALA 44 N -1.71 2.46 -2.00 5.36 0.00 -0.64 -4.90 121.76 120.33 2k5f s ALA 44 Ca 0.23 -0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.09 2k5f s ALA 44 Cb -0.08 -3.12 0.18 0.00 0.00 0.00 0.00 23.12 20.10 2k5f s ALA 44 CO 0.13 -1.49 0.50 -2.30 0.00 0.00 0.00 175.76 172.59 2k5f n PRO 45 N -3.29 0.22 -0.14 0.00 -0.02 -1.26 -1.18 135.00 129.33 2k5f n PRO 45 Ca 0.07 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.57 2k5f n PRO 45 Cb 0.55 -1.22 0.02 0.00 -0.02 0.00 0.00 33.50 32.84 2k5f n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2k5f n LEU 46 N -0.72 0.77 0.00 2.45 4.77 -1.26 -4.97 117.00 118.04 2k5f n LEU 46 Ca 0.02 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2k5f n LEU 46 Cb 0.01 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2k5f n LEU 46 CO 0.02 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2k5f n GLY 47 N -0.32 0.81 3.64 -0.72 0.00 -0.32 -4.95 105.19 103.33 2k5f n GLY 47 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.72 -0.77 0.97 1.61 2.15 -1.26 -4.64 116.67 112.02 2k5f s ASP 48 Ca 0.00 1.36 -0.16 0.00 0.43 0.00 0.00 52.55 54.18 2k5f s ASP 48 Cb 0.00 1.35 0.21 0.00 -0.30 0.00 0.00 42.92 44.19 2k5f s ASP 48 CO 0.00 -0.23 1.33 -2.84 -0.17 0.00 0.00 175.17 173.27 2k5f s PRO 49 N 0.87 0.49 -0.05 4.34 0.02 -1.26 -4.60 135.00 134.80 2k5f s PRO 49 Ca -0.04 -0.52 0.04 0.00 0.02 0.00 0.00 61.00 60.50 2k5f s PRO 49 Cb -0.05 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.60 2k5f s PRO 49 CO -0.08 -2.50 -0.16 0.42 -0.33 0.00 0.00 177.00 174.34 2k5f s ILE 50 N -3.91 2.86 -0.16 2.83 1.01 0.15 -1.61 121.20 122.37 2k5f s ILE 50 Ca 0.75 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 2k5f s ILE 50 Cb -0.03 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 2k5f s ILE 50 CO 0.53 0.58 -0.10 -1.61 0.00 0.00 0.00 174.94 174.34 2k5f s GLU 51 N -0.61 3.39 0.11 2.79 2.02 -0.28 -0.62 118.70 125.50 2k5f s GLU 51 Ca 0.09 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 54.46 2k5f s GLU 51 Cb -0.11 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 2k5f s GLU 51 CO 0.01 0.08 -0.10 0.14 0.02 0.00 0.00 175.26 175.41 2k5f s VAL 52 N 0.70 1.02 -0.46 2.63 -7.23 -0.81 -0.69 120.40 115.55 2k5f s VAL 52 Ca -0.05 -1.73 -0.10 0.00 -1.81 0.00 0.00 61.98 58.29 2k5f s VAL 52 Cb -0.15 -1.48 0.11 0.00 0.56 0.00 0.00 36.38 35.42 2k5f s VAL 52 CO 0.02 -0.59 0.33 0.21 -0.31 0.00 0.00 175.10 174.76 2k5f s ASN 53 N -2.59 5.72 -0.18 4.85 2.47 0.21 -1.61 114.94 123.81 2k5f s ASN 53 Ca 0.08 -1.76 -0.02 0.00 0.42 0.00 0.00 52.86 51.58 2k5f s ASN 53 Cb -0.02 -2.02 -0.01 0.00 -1.45 0.00 0.00 41.25 37.75 2k5f s ASN 53 CO 0.00 -0.65 -0.09 0.00 -3.72 0.00 0.00 177.10 172.64 2k5f n ASN 55 N 4.28 -5.20 0.00 0.00 3.02 -0.97 -0.83 115.26 115.56 2k5f n ASN 55 Ca -0.18 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2k5f n ASN 55 Cb 0.51 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 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 -0.75 0.65 3.29 7.41 0.00 -1.26 -5.06 105.19 109.47 2k5f n GLY 56 Ca -0.18 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 2k5f n GLY 56 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k5f s MET 57 N -0.89 3.21 -0.55 1.61 0.00 -0.01 -5.08 119.30 117.59 2k5f s MET 57 Ca 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 55.69 54.72 2k5f s MET 57 Cb 0.00 -2.48 0.09 0.00 0.00 0.00 0.00 34.83 32.44 2k5f s MET 57 CO 0.00 0.18 0.63 -0.51 0.00 0.00 0.00 175.02 175.32 2k5f s LEU 58 N 0.40 5.32 0.12 4.11 1.02 -1.26 -0.42 118.68 127.96 2k5f s LEU 58 Ca -0.14 -1.27 0.11 0.00 0.02 0.00 0.00 54.13 52.85 2k5f s LEU 58 Cb -0.17 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.67 2k5f s LEU 58 CO 0.06 -0.98 -0.27 -1.48 0.02 0.00 0.00 176.35 173.71 2k5f s LEU 59 N 2.49 2.32 -0.19 1.79 2.34 -0.63 -4.97 118.68 121.83 2k5f s LEU 59 Ca 0.11 -0.73 -0.07 0.00 0.06 0.00 0.00 54.13 53.51 2k5f s LEU 59 Cb -0.23 -1.24 -0.04 0.00 -0.56 0.00 0.00 46.19 44.12 2k5f s LEU 59 CO 0.08 0.19 0.05 -0.89 -1.06 0.00 0.00 176.35 174.72 2k5f s THR 60 N -1.04 4.57 0.23 5.48 2.01 -1.26 -1.93 115.64 123.70 2k5f s THR 60 Ca 0.14 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.04 2k5f s THR 60 Cb -0.10 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2k5f s THR 60 CO 0.06 0.44 0.14 0.00 -0.69 0.00 0.00 174.62 174.58 2k5f s MET 61 N 0.58 1.33 0.14 4.92 0.23 0.21 -4.98 119.30 121.73 2k5f s MET 61 Ca 0.02 -1.72 -0.05 0.00 -1.03 0.00 0.00 55.69 52.91 2k5f s MET 61 Cb -0.13 0.16 -0.06 0.00 -1.53 0.00 0.00 34.83 33.28 2k5f s MET 61 CO 0.01 -0.41 0.38 1.03 -2.03 0.00 0.00 175.02 174.00 2k5f s ARG 62 N -4.03 3.62 0.20 3.16 1.81 -1.26 0.33 118.95 122.78 2k5f s ARG 62 Ca 0.39 -0.08 -0.10 0.00 -1.72 0.00 0.00 55.73 54.21 2k5f s ARG 62 Cb 0.06 -2.85 0.13 0.00 -0.45 0.00 0.00 34.95 31.85 2k5f s ARG 62 CO 0.15 0.47 1.81 -0.09 -0.68 0.00 0.00 175.30 176.95 2k5f h ARG 63 N 2.85 1.02 -0.14 3.54 2.43 -1.92 -0.65 114.38 121.51 2k5f h ARG 63 Ca -0.46 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2k5f h ARG 63 Cb 1.17 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2k5f h ARG 63 CO 0.72 0.77 0.07 -2.95 -1.51 0.00 0.00 179.97 177.08 2k5f h ASN 64 N 1.00 0.17 0.09 -3.80 -1.07 -1.94 0.31 115.58 110.34 2k5f h ASN 64 Ca 0.25 -0.01 -0.24 0.00 0.07 0.00 0.00 56.30 56.37 2k5f h ASN 64 Cb 0.06 -0.04 0.01 0.00 -2.07 0.00 0.00 38.32 36.28 2k5f h ASN 64 CO -0.04 0.14 -0.95 -0.33 0.07 0.00 0.00 177.43 176.32 2k5f h GLU 65 N 0.20 0.61 0.00 4.14 4.39 -1.82 -3.21 114.58 118.89 2k5f h GLU 65 Ca 0.05 -0.62 -0.03 0.00 0.34 0.00 0.00 59.36 59.10 2k5f h GLU 65 Cb 0.02 0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2k5f h GLU 65 CO -0.01 1.23 -0.15 0.00 -1.16 0.00 0.00 179.01 178.93 2k5f h ALA 66 N 0.56 1.35 -0.23 3.43 0.00 0.61 -1.25 119.26 123.73 2k5f h ALA 66 Ca -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2k5f h ALA 66 Cb 1.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2k5f h ALA 66 CO 0.18 0.18 0.11 0.93 0.00 0.00 0.00 179.25 180.65 2k5f h GLU 67 N 0.00 0.33 -0.08 0.00 4.39 -0.51 -2.47 114.58 116.25 2k5f h GLU 67 Ca -0.00 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 2k5f h GLU 67 Cb 0.36 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 2k5f h GLU 67 CO 0.02 0.35 -0.29 0.78 -1.16 0.00 0.00 179.01 178.71 2k5f h GLY 68 N 0.23 0.15 -5.19 -3.84 0.00 -1.35 -3.43 103.07 89.65 2k5f h GLY 68 Ca 0.08 -0.11 -0.57 0.00 0.00 0.00 0.00 47.33 46.73 2k5f h GLY 68 CO -0.01 0.10 0.89 -0.42 0.00 0.00 0.00 176.54 177.11 2k5f s ILE 69 N -4.39 4.32 -0.22 2.60 1.01 -0.57 -1.61 121.20 122.35 2k5f s ILE 69 Ca -0.04 1.59 -0.08 0.00 0.00 0.00 0.00 60.65 62.12 2k5f s ILE 69 Cb 0.15 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 2k5f s ILE 69 CO 0.74 -0.16 0.08 -0.89 0.00 0.00 0.00 174.94 174.70 2k5f s THR 70 N 3.52 4.71 0.24 2.92 2.01 0.60 -1.05 115.64 128.59 2k5f s THR 70 Ca 0.53 -0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.59 2k5f s THR 70 Cb -0.20 -3.16 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2k5f s THR 70 CO 0.14 0.39 -0.13 0.68 -0.69 0.00 0.00 174.62 175.01 2k5f s VAL 71 N 0.94 2.88 -0.16 3.82 -7.23 0.16 -2.01 120.40 118.81 2k5f s VAL 71 Ca 0.04 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 2k5f s VAL 71 Cb -0.14 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.33 2k5f s VAL 71 CO 0.03 -0.27 -0.19 -2.28 -0.31 0.00 0.00 175.10 172.08 2k5f s HIS 72 N -2.11 2.74 0.18 2.82 5.65 0.13 -0.59 115.29 124.12 2k5f s HIS 72 Ca 0.27 -1.29 -0.31 0.00 0.25 0.00 0.00 55.06 53.98 2k5f s HIS 72 Cb -0.07 -1.87 -0.10 0.00 -1.18 0.00 0.00 32.58 29.36 2k5f s HIS 72 CO 0.15 -0.61 1.56 0.42 -0.65 0.00 0.00 174.74 175.62 2k5f s ILE 73 N 0.94 2.58 -1.32 0.89 -1.09 -1.26 0.27 121.20 122.20 2k5f s ILE 73 Ca -0.04 0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 58.64 2k5f s ILE 73 Cb -0.15 -3.27 0.04 0.00 -1.58 0.00 0.00 42.46 37.50 2k5f s ILE 73 CO -0.04 0.04 1.93 0.18 -1.23 0.00 0.00 174.94 175.83 2k5f n LEU 74 N 3.67 5.44 0.00 2.97 4.77 -0.82 -4.79 117.00 128.25 2k5f n LEU 74 Ca 0.13 -3.89 -0.02 0.00 -0.03 0.00 0.00 56.01 52.20 2k5f n LEU 74 Cb 0.39 -1.69 0.02 0.00 -2.33 0.00 0.00 43.42 39.80 2k5f n LEU 74 CO 0.61 0.32 0.70 0.00 -1.33 0.00 0.00 177.39 177.70 2k5f n ALA 75 N 7.98 -2.31 0.00 -1.18 0.00 -1.26 -4.95 120.51 118.78 2k5f n ALA 75 Ca 0.50 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2k5f n ALA 75 Cb 0.43 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.62 2.94 4.32 0.00 0.00 -1.26 -4.67 105.19 105.90 2k5f n GLY 76 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 0.54 0.00 0.11 1.61 9.92 -1.26 -4.70 116.55 122.78 2k5f n ASP 77 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2k5f n ASP 77 Cb 0.00 -0.30 0.29 0.00 -0.64 0.00 0.00 41.12 40.47 2k5f n ASP 77 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2k5f h GLU 78 N 0.68 0.21 0.00 -1.24 5.08 -2.03 -3.48 114.58 113.80 2k5f h GLU 78 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k5f h GLU 78 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2k5f h GLU 78 CO 0.00 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 2k5f n GLY 79 N -0.45 1.47 2.43 -3.84 0.00 -1.26 -4.97 105.19 98.57 2k5f n GLY 79 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 2k5f n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k5f n HIS 80 N 0.00 -2.79 -1.75 1.61 8.25 -1.26 -4.92 115.22 114.36 2k5f n HIS 80 Ca 0.00 1.19 -0.42 0.00 -0.26 0.00 0.00 57.72 58.23 2k5f n HIS 80 Cb 0.00 -3.37 -0.03 0.00 1.12 0.00 0.00 29.99 27.71 2k5f n HIS 80 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2k5f s PRO 81 N -1.61 4.13 -1.10 -0.41 0.02 -1.26 -4.89 135.00 129.89 2k5f s PRO 81 Ca 0.08 2.58 -0.22 0.00 0.02 0.00 0.00 61.00 63.46 2k5f s PRO 81 Cb -0.02 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.35 2k5f s PRO 81 CO 0.57 -0.75 1.70 -1.58 -0.33 0.00 0.00 177.00 176.60 2k5f s HIS 82 N 1.42 2.37 0.00 6.54 2.46 -1.26 -4.73 115.29 122.09 2k5f s HIS 82 Ca 0.75 -0.58 0.00 0.00 0.47 0.00 0.00 55.06 55.70 2k5f s HIS 82 Cb -0.49 -4.49 0.00 0.00 -0.13 0.00 0.00 32.58 27.48 2k5f s HIS 82 CO 0.33 -1.76 0.00 0.41 -2.47 0.00 0.00 174.74 171.25 2k5f n GLY 83 N 6.32 -0.21 3.73 1.59 0.00 -1.26 -5.04 105.19 110.32 2k5f n GLY 83 Ca 0.40 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.07 3.25 0.32 1.61 -0.11 -1.26 -5.10 118.94 117.58 2k5f s TRP 84 Ca 0.00 0.24 -0.27 0.00 1.22 0.00 0.00 56.10 57.30 2k5f s TRP 84 Cb 0.00 -1.79 -0.09 0.00 -1.50 0.00 0.00 33.47 30.08 2k5f s TRP 84 CO 0.00 0.53 0.99 -1.25 -4.62 0.00 0.00 176.95 172.60 2k5f s PRO 85 N -1.13 4.54 0.00 5.86 0.04 -1.26 -4.67 135.00 138.38 2k5f s PRO 85 Ca 0.16 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2k5f s PRO 85 Cb -0.12 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2k5f s PRO 85 CO 0.06 0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.71 2k5f n GLY 86 N 0.76 0.95 2.74 0.56 0.00 -1.26 -5.13 105.19 103.81 2k5f n GLY 86 Ca 0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2k5f n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k5f s PHE 87 N 0.00 1.52 -0.21 1.61 5.36 -1.26 -5.09 117.98 119.91 2k5f s PHE 87 Ca 0.00 -1.45 -0.11 0.00 -0.96 0.00 0.00 56.93 54.41 2k5f s PHE 87 Cb 0.00 -1.47 0.07 0.00 -0.34 0.00 0.00 43.02 41.28 2k5f s PHE 87 CO 0.00 -0.79 0.49 -0.98 -1.46 0.00 0.00 175.22 172.48 2k5f s ARG 88 N 1.69 0.47 -0.35 10.12 1.70 -1.26 -5.13 118.95 126.20 2k5f s ARG 88 Ca 0.05 0.95 0.04 0.00 -0.47 0.00 0.00 55.73 56.30 2k5f s ARG 88 Cb -0.17 0.08 0.16 0.00 -0.57 0.00 0.00 34.95 34.45 2k5f s ARG 88 CO -0.19 -0.17 0.44 -0.98 -1.08 0.00 0.00 175.30 173.32 2k5f s ARG 89 N 1.63 0.58 -0.48 3.89 1.70 -1.26 -5.06 118.95 119.95 2k5f s ARG 89 Ca -0.09 -0.34 0.03 0.00 -0.47 0.00 0.00 55.73 54.86 2k5f s ARG 89 Cb -0.08 -0.40 0.13 0.00 -0.57 0.00 0.00 34.95 34.03 2k5f s ARG 89 CO -0.15 -1.13 0.23 0.50 -1.08 0.00 0.00 175.30 173.67 2k5f s ARG 90 N 1.96 1.73 -0.45 3.89 3.00 -1.26 -5.06 118.95 122.77 2k5f s ARG 90 Ca 0.14 -2.36 0.04 0.00 -1.00 0.00 0.00 55.73 52.54 2k5f s ARG 90 Cb -0.12 -3.03 0.12 0.00 0.00 0.00 0.00 34.95 31.92 2k5f s ARG 90 CO -0.15 -1.10 0.18 -1.58 0.00 0.00 0.00 175.30 172.65 2k5f s HIS 91 N 0.03 3.20 -0.47 5.12 2.46 -1.26 -4.94 115.29 119.43 2k5f s HIS 91 Ca 0.16 -3.00 0.06 0.00 0.47 0.00 0.00 55.06 52.76 2k5f s HIS 91 Cb -0.25 -2.73 0.18 0.00 -0.13 0.00 0.00 32.58 29.66 2k5f s HIS 91 CO -0.01 -0.82 0.62 0.50 -2.47 0.00 0.00 174.74 172.56 2k5f s ARG 92 N 0.22 0.97 -0.14 2.88 3.52 -1.26 -5.14 118.95 120.01 2k5f s ARG 92 Ca 0.15 -1.10 -0.06 0.00 -0.13 0.00 0.00 55.73 54.60 2k5f s ARG 92 Cb -0.23 -0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 32.81 2k5f s ARG 92 CO -0.04 -1.31 0.06 -0.06 -0.81 0.00 0.00 175.30 173.14 2k5f s PHE 93 N 0.94 3.29 0.00 5.12 0.08 -1.26 -5.02 117.98 121.12 2k5f s PHE 93 Ca 0.27 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.51 2k5f s PHE 93 Cb -0.01 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2k5f s PHE 93 CO -0.08 0.36 0.00 0.41 -0.10 0.00 0.00 175.22 175.82 2k5f n GLY 94 N 2.79 0.12 3.75 4.36 0.00 -1.26 -5.06 105.19 109.90 2k5f n GLY 94 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2k5f n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5f s LYS 95 N -0.34 4.73 0.00 1.61 -2.85 -1.26 -4.86 119.74 116.77 2k5f s LYS 95 Ca 0.00 1.62 0.00 0.00 -1.00 0.00 0.00 55.97 56.59 2k5f s LYS 95 Cb 0.00 -3.26 0.00 0.00 -2.06 0.00 0.00 37.83 32.51 2k5f s LYS 95 CO 0.00 0.32 0.00 2.89 0.10 0.00 0.00 175.35 178.66 2k5f n ARG 96 N 1.69 0.88 -2.85 1.78 1.85 -1.26 -5.02 116.66 113.74 2k5f n ARG 96 Ca -0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 2k5f n ARG 96 Cb 0.46 -0.07 -0.04 0.00 -1.05 0.00 0.00 32.46 31.77 2k5f n ARG 96 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k5f s ALA 97 N 0.00 3.13 -0.69 2.89 0.00 -1.26 -4.86 121.76 120.97 2k5f s ALA 97 Ca 0.00 -2.02 0.16 0.00 0.00 0.00 0.00 51.96 50.11 2k5f s ALA 97 Cb 0.00 -3.94 0.78 0.00 0.00 0.00 0.00 23.12 19.97 2k5f s ALA 97 CO 0.00 -2.87 1.70 1.28 0.00 0.00 0.00 175.76 175.88 2k5f n LEU 98 N 7.60 5.32 0.00 0.00 4.77 -1.26 -5.05 117.00 128.38 2k5f n LEU 98 Ca 0.03 -2.69 0.09 0.00 -0.03 0.00 0.00 56.01 53.40 2k5f n LEU 98 Cb 0.46 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2k5f n LEU 98 CO 0.62 0.72 -0.12 -0.62 -1.33 0.00 0.00 177.39 176.66 2k5f n GLU 99 N 0.89 -1.30 -3.47 3.23 1.02 -1.26 -4.55 120.64 115.20 2k5f n GLU 99 Ca 0.27 0.86 -0.27 0.00 -0.02 0.00 0.00 57.16 58.00 2k5f n GLU 99 Cb 1.06 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.81 2k5f n GLU 99 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2k5f n HIS 100 N -2.52 3.12 -3.34 -0.32 -0.00 -1.26 -5.04 115.22 105.86 2k5f n HIS 100 Ca 0.00 -4.11 -0.45 0.00 -0.00 0.00 0.00 57.72 53.17 2k5f n HIS 100 Cb 0.29 -0.53 -0.07 0.00 -0.00 0.00 0.00 29.99 29.69 2k5f n HIS 100 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5f s HIS 101 N -2.16 3.22 -0.29 1.57 5.04 -1.26 -4.98 115.29 116.44 2k5f s HIS 101 Ca 0.37 -1.02 0.02 0.00 -1.54 0.00 0.00 55.06 52.89 2k5f s HIS 101 Cb 0.12 -3.43 0.17 0.00 0.04 0.00 0.00 32.58 29.48 2k5f s HIS 101 CO -0.05 -0.90 0.45 -1.58 -2.34 0.00 0.00 174.74 170.32 2k5f s HIS 102 N 1.73 -1.19 -0.06 3.88 2.46 -1.26 -5.14 115.29 115.71 2k5f s HIS 102 Ca 0.05 0.60 -0.03 0.00 0.47 0.00 0.00 55.06 56.15 2k5f s HIS 102 Cb -0.26 -0.01 0.04 0.00 -0.13 0.00 0.00 32.58 32.22 2k5f s HIS 102 CO 0.06 -0.97 0.14 -3.38 -2.47 0.00 0.00 174.74 168.11 2k5f s HIS 103 N 2.62 -0.15 -0.24 3.88 -3.43 -1.26 -5.15 115.29 111.55 2k5f s HIS 103 Ca 0.11 0.46 -0.26 0.00 -0.80 0.00 0.00 55.06 54.57 2k5f s HIS 103 Cb -0.12 -0.09 0.10 0.00 -1.43 0.00 0.00 32.58 31.04 2k5f s HIS 103 CO -0.27 -0.16 0.87 -3.38 -2.00 0.00 0.00 174.74 169.79 2k5f s HIS 104 N 1.13 -0.61 0.00 0.38 -3.43 -1.26 -5.35 115.29 106.15 2k5f s HIS 104 Ca -0.09 1.42 0.00 0.00 -0.80 0.00 0.00 55.06 55.59 2k5f s HIS 104 Cb -0.11 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 2k5f s HIS 104 CO -0.06 -0.34 0.00 -2.39 -2.00 0.00 0.00 174.74 169.95