#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 3.95 0.39 3.17 3.01 -1.26 0.25 119.74 129.25 2k5f s LYS 2 Ca 0.00 0.62 0.10 0.00 -1.01 0.00 0.00 55.97 55.69 2k5f s LYS 2 Cb 0.00 -2.42 0.78 0.00 -1.01 0.00 0.00 37.83 35.18 2k5f s LYS 2 CO 0.00 0.11 1.90 1.25 0.51 0.00 0.00 175.35 179.12 2k5f h LEU 3 N 2.03 0.16 -0.29 3.17 5.85 -0.95 -1.37 115.31 123.92 2k5f h LEU 3 Ca -0.48 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2k5f h LEU 3 Cb 1.18 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2k5f h LEU 3 CO 0.65 0.37 0.00 0.77 -0.34 0.00 0.00 178.44 179.89 2k5f h SER 4 N 0.16 0.00 -0.12 1.25 4.64 -1.79 -3.09 113.55 114.59 2k5f h SER 4 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2k5f h SER 4 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2k5f h SER 4 CO 0.03 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.37 2k5f n GLU 5 N -2.35 2.07 -1.21 4.77 -0.58 -0.53 -4.92 120.64 117.89 2k5f n GLU 5 Ca 0.04 -1.57 -0.21 0.00 -0.42 0.00 0.00 57.16 54.99 2k5f n GLU 5 Cb 0.37 -1.46 0.16 0.00 -0.57 0.00 0.00 31.44 29.93 2k5f n GLU 5 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2k5f n LEU 6 N 0.86 0.00 -4.39 -4.62 4.77 -1.14 -4.90 117.00 107.58 2k5f n LEU 6 Ca 0.17 -1.00 -0.29 0.00 -0.03 0.00 0.00 56.01 54.86 2k5f n LEU 6 Cb 0.48 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 2k5f n LEU 6 CO 0.15 -1.37 -0.57 -0.54 -1.33 0.00 0.00 177.39 173.73 2k5f s LYS 7 N -5.03 1.41 -0.42 3.23 -0.14 -1.26 -5.06 119.74 112.47 2k5f s LYS 7 Ca 0.54 -1.34 -0.27 0.00 -1.36 0.00 0.00 55.97 53.54 2k5f s LYS 7 Cb -0.02 -1.89 -0.03 0.00 -1.68 0.00 0.00 37.83 34.20 2k5f s LYS 7 CO 0.39 0.45 1.94 0.00 -0.76 0.00 0.00 175.35 177.36 2k5f s ALA 8 N -1.05 2.49 0.00 5.17 0.00 -1.26 -1.18 121.76 125.93 2k5f s ALA 8 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.12 2k5f s ALA 8 Cb -0.10 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.87 2k5f s ALA 8 CO 0.06 -3.25 0.00 0.41 0.00 0.00 0.00 175.76 172.98 2k5f n GLY 9 N 5.61 1.87 3.77 0.00 0.00 0.36 -4.99 105.19 111.82 2k5f n GLY 9 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.49 7.27 -0.14 1.61 1.11 -0.33 -4.78 116.67 119.92 2k5f s ASP 10 Ca 0.00 1.95 -0.01 0.00 0.18 0.00 0.00 52.55 54.67 2k5f s ASP 10 Cb 0.00 -2.59 -0.02 0.00 1.07 0.00 0.00 42.92 41.38 2k5f s ASP 10 CO 0.00 -0.12 -0.11 -0.60 1.18 0.00 0.00 175.17 175.52 2k5f s ARG 11 N -1.90 3.42 0.28 8.23 3.52 -1.26 -0.71 118.95 130.53 2k5f s ARG 11 Ca 0.49 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 55.46 2k5f s ARG 11 Cb -0.22 -2.72 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 2k5f s ARG 11 CO 0.28 0.16 0.17 0.00 -0.81 0.00 0.00 175.30 175.10 2k5f s ALA 12 N 0.50 1.77 -0.06 6.12 0.00 0.68 0.14 121.76 130.90 2k5f s ALA 12 Ca -0.08 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.12 2k5f s ALA 12 Cb -0.15 1.25 -0.00 0.00 0.00 0.00 0.00 23.12 24.21 2k5f s ALA 12 CO 0.04 -0.55 -0.18 -2.00 0.00 0.00 0.00 175.76 173.07 2k5f s GLU 13 N -3.84 2.08 -0.04 0.00 2.12 0.70 -0.66 118.70 119.06 2k5f s GLU 13 Ca 0.37 -0.65 -0.30 0.00 0.36 0.00 0.00 54.97 54.75 2k5f s GLU 13 Cb 0.05 -1.72 -0.05 0.00 0.26 0.00 0.00 34.13 32.67 2k5f s GLU 13 CO 0.18 0.21 1.48 0.08 -0.54 0.00 0.00 175.26 176.66 2k5f s VAL 14 N 0.19 3.71 -0.22 3.70 1.01 0.10 -0.33 120.40 128.56 2k5f s VAL 14 Ca -0.09 1.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.86 2k5f s VAL 14 Cb -0.14 -3.65 -0.19 0.00 0.00 0.00 0.00 36.38 32.40 2k5f s VAL 14 CO 0.04 -0.04 -0.04 0.35 0.00 0.00 0.00 175.10 175.40 2k5f n THR 15 N 5.04 1.58 -3.68 3.92 -2.24 0.06 -0.50 114.28 118.46 2k5f n THR 15 Ca 0.15 -0.55 -0.15 0.00 -2.27 0.00 0.00 64.05 61.23 2k5f n THR 15 Cb 0.43 -1.59 -0.08 0.00 -2.10 0.00 0.00 70.33 67.00 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 -6.79 -0.38 -0.17 3.42 0.01 -1.04 -4.71 113.70 104.04 2k5f s SER 16 Ca -0.31 0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.36 2k5f s SER 16 Cb 0.09 0.47 0.03 0.00 0.21 0.00 0.00 66.02 66.82 2k5f s SER 16 CO 0.64 -0.46 -0.13 -0.69 0.41 0.00 0.00 173.24 173.01 2k5f s VAL 17 N -1.08 1.63 -0.47 3.43 1.01 -1.26 0.39 120.40 124.05 2k5f s VAL 17 Ca -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2k5f s VAL 17 Cb -0.03 -1.59 0.11 0.00 0.00 0.00 0.00 36.38 34.87 2k5f s VAL 17 CO 0.06 0.35 0.36 0.00 0.00 0.00 0.00 175.10 175.87 2k5f s ALA 18 N 1.44 3.42 0.27 5.51 0.00 0.07 -4.95 121.76 127.52 2k5f s ALA 18 Ca 0.03 -2.45 -0.07 0.00 0.00 0.00 0.00 51.96 49.47 2k5f s ALA 18 Cb -0.14 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.14 2k5f s ALA 18 CO -0.10 -1.87 0.48 0.00 0.00 0.00 0.00 175.76 174.27 2k5f n ALA 19 N 4.98 -0.88 -1.76 0.00 0.00 -1.26 -4.15 120.51 117.44 2k5f n ALA 19 Ca -0.09 -0.99 -0.39 0.00 0.00 0.00 0.00 53.44 51.96 2k5f n ALA 19 Cb 0.41 0.80 0.00 0.00 0.00 0.00 0.00 19.45 20.66 2k5f n ALA 19 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k5f s GLU 20 N -2.25 3.76 0.25 0.00 8.01 -1.26 -4.81 118.70 122.39 2k5f s GLU 20 Ca 0.15 2.11 -0.03 0.00 0.01 0.00 0.00 54.97 57.20 2k5f s GLU 20 Cb -0.02 -2.59 0.43 0.00 -4.31 0.00 0.00 34.13 27.64 2k5f s GLU 20 CO 0.11 -0.65 1.81 -1.00 0.01 0.00 0.00 175.26 175.53 2k5f h PRO 21 N 2.30 0.76 -0.26 0.39 0.13 -2.00 0.25 132.00 133.57 2k5f h PRO 21 Ca -0.50 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2k5f h PRO 21 Cb 1.26 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2k5f h PRO 21 CO 0.61 0.50 0.08 0.00 -0.23 0.00 0.00 178.00 178.96 2k5f h ALA 22 N 1.48 0.34 -0.15 -0.56 0.00 -1.99 -1.44 119.26 116.94 2k5f h ALA 22 Ca 0.42 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 55.01 2k5f h ALA 22 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k5f h ALA 22 CO -0.27 -0.03 -0.60 0.28 0.00 0.00 0.00 179.25 178.64 2k5f h VAL 23 N 0.25 1.34 -0.07 0.00 2.07 -1.72 0.12 116.25 118.23 2k5f h VAL 23 Ca 0.08 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.70 2k5f h VAL 23 Cb 0.25 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2k5f h VAL 23 CO -0.00 0.58 0.03 -0.09 0.02 0.00 0.00 177.57 178.11 2k5f h ARG 24 N 0.37 0.10 -0.14 1.57 2.43 -0.49 -1.61 114.38 116.60 2k5f h ARG 24 Ca -0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2k5f h ARG 24 Cb 1.15 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2k5f h ARG 24 CO 0.11 0.23 -0.14 0.00 -1.51 0.00 0.00 179.97 178.66 2k5f h ARG 25 N -0.05 0.22 -0.71 0.20 3.08 -1.13 0.44 114.38 116.43 2k5f h ARG 25 Ca 0.02 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.05 2k5f h ARG 25 Cb 0.17 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 2k5f h ARG 25 CO -0.00 0.37 0.44 -0.09 -1.07 0.00 0.00 179.97 179.62 2k5f h ARG 26 N 0.21 0.83 -0.00 0.04 1.12 -0.62 0.37 114.38 116.34 2k5f h ARG 26 Ca 0.04 -0.05 -0.26 0.00 -1.11 0.00 0.00 59.98 58.60 2k5f h ARG 26 Cb 0.38 -0.19 0.02 0.00 -0.01 0.00 0.00 29.97 30.17 2k5f h ARG 26 CO 0.02 0.55 -1.02 -0.07 -3.11 0.00 0.00 179.97 176.34 2k5f h LEU 27 N 0.86 0.86 -1.09 3.80 3.38 -0.28 -3.07 115.31 119.76 2k5f h LEU 27 Ca 0.28 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2k5f h LEU 27 Cb 0.03 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2k5f h LEU 27 CO -0.11 1.49 0.34 0.24 0.09 0.00 0.00 178.44 180.48 2k5f h MET 28 N 0.38 0.98 -0.46 1.13 2.86 0.15 0.94 114.93 120.91 2k5f h MET 28 Ca -0.12 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 2k5f h MET 28 Cb 1.67 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.13 2k5f h MET 28 CO 0.20 0.75 0.24 -0.44 1.06 0.00 0.00 176.91 178.72 2k5f h ASP 29 N 0.97 0.56 -0.22 1.22 3.32 -0.27 -2.23 116.42 119.76 2k5f h ASP 29 Ca 0.24 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.08 2k5f h ASP 29 Cb 0.09 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2k5f h ASP 29 CO -0.03 0.46 -0.55 -0.07 -1.72 0.00 0.00 179.24 177.32 2k5f h LEU 30 N 0.63 0.87 0.00 1.55 3.38 -1.13 -3.47 115.31 117.14 2k5f h LEU 30 Ca 0.16 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k5f h LEU 30 Cb 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2k5f h LEU 30 CO -0.03 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.39 2k5f n GLY 31 N 0.48 -0.71 3.53 0.83 0.00 -0.04 -4.92 105.19 104.37 2k5f n GLY 31 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 3.77 0.00 0.99 0.20 0.12 -4.71 118.68 119.05 2k5f s LEU 32 Ca 0.00 -1.32 0.03 0.00 0.69 0.00 0.00 54.13 53.54 2k5f s LEU 32 Cb 0.00 -2.53 -0.01 0.00 -0.43 0.00 0.00 46.19 43.22 2k5f s LEU 32 CO 0.00 -1.49 0.12 1.33 -0.29 0.00 0.00 176.35 176.01 2k5f n VAL 33 N 6.47 0.00 -2.08 1.68 0.24 -1.26 -3.33 118.33 120.05 2k5f n VAL 33 Ca 0.23 -1.50 -0.43 0.00 -2.04 0.00 0.00 64.34 60.60 2k5f n VAL 33 Cb 0.50 0.60 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.93 3.92 0.00 7.34 3.52 -1.26 -1.50 118.95 128.03 2k5f s ARG 34 Ca 0.17 1.83 0.00 0.00 -0.13 0.00 0.00 55.73 57.60 2k5f s ARG 34 Cb 0.01 -4.01 0.00 0.00 -1.56 0.00 0.00 34.95 29.38 2k5f s ARG 34 CO 0.12 -1.15 0.00 0.41 -0.81 0.00 0.00 175.30 173.87 2k5f n GLY 35 N 4.47 0.63 3.68 8.12 0.00 0.35 -5.02 105.19 117.42 2k5f n GLY 35 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 3.55 -0.16 4.61 0.00 -0.56 -4.81 121.76 122.38 2k5f s ALA 36 Ca 0.00 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.35 2k5f s ALA 36 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2k5f s ALA 36 CO 0.00 -0.89 0.53 0.15 0.00 0.00 0.00 175.76 175.55 2k5f s LYS 37 N 2.60 4.26 0.01 0.00 1.02 -1.26 -0.73 119.74 125.65 2k5f s LYS 37 Ca 0.56 0.49 -0.02 0.00 0.02 0.00 0.00 55.97 57.02 2k5f s LYS 37 Cb -0.24 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 2k5f s LYS 37 CO 0.20 -0.04 0.01 -0.48 -0.92 0.00 0.00 175.35 174.12 2k5f s LEU 38 N 1.26 2.08 -0.06 3.17 2.34 0.16 -0.59 118.68 127.05 2k5f s LEU 38 Ca 0.26 -0.41 0.05 0.00 0.06 0.00 0.00 54.13 54.09 2k5f s LEU 38 Cb -0.16 0.21 -0.01 0.00 -0.56 0.00 0.00 46.19 45.68 2k5f s LEU 38 CO 0.11 -0.30 -0.22 -0.75 -1.06 0.00 0.00 176.35 174.13 2k5f s LYS 39 N -1.36 2.64 -0.14 1.48 2.20 -0.44 -0.23 119.74 123.90 2k5f s LYS 39 Ca -0.15 -0.84 -0.29 0.00 -0.36 0.00 0.00 55.97 54.33 2k5f s LYS 39 Cb -0.09 -2.26 -0.03 0.00 -1.51 0.00 0.00 37.83 33.94 2k5f s LYS 39 CO -0.00 0.41 1.53 0.08 -0.36 0.00 0.00 175.35 177.00 2k5f s VAL 40 N -0.21 3.82 -0.17 4.02 1.01 0.11 -0.80 120.40 128.18 2k5f s VAL 40 Ca -0.02 0.97 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 2k5f s VAL 40 Cb -0.13 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 2k5f s VAL 40 CO 0.03 -0.16 -0.07 0.18 0.00 0.00 0.00 175.10 175.08 2k5f n LEU 41 N 7.40 1.83 -3.79 3.92 4.77 0.33 -0.48 117.00 130.97 2k5f n LEU 41 Ca 0.17 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.58 2k5f n LEU 41 Cb 0.44 -0.90 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 2k5f n LEU 41 CO 0.61 -0.21 -0.08 -0.13 -1.33 0.00 0.00 177.39 176.25 2k5f s ARG 42 N -2.30 0.39 -0.12 3.23 1.81 -0.63 -4.53 118.95 116.80 2k5f s ARG 42 Ca -0.20 0.15 -0.01 0.00 -1.72 0.00 0.00 55.73 53.95 2k5f s ARG 42 Cb 0.04 0.18 -0.03 0.00 -0.45 0.00 0.00 34.95 34.69 2k5f s ARG 42 CO 0.35 -0.07 -0.07 -0.06 -0.68 0.00 0.00 175.30 174.76 2k5f s PHE 43 N -0.33 2.94 0.92 -0.53 0.08 -1.26 -0.72 117.98 119.08 2k5f s PHE 43 Ca -0.04 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.64 2k5f s PHE 43 Cb -0.03 -1.84 0.15 0.00 -0.57 0.00 0.00 43.02 40.73 2k5f s PHE 43 CO 0.01 0.06 1.12 0.00 -0.10 0.00 0.00 175.22 176.30 2k5f s ALA 44 N -0.07 1.34 -2.00 5.36 0.00 -0.90 -4.80 121.76 120.69 2k5f s ALA 44 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.35 2k5f s ALA 44 Cb -0.13 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.67 2k5f s ALA 44 CO 0.03 -2.71 0.29 -0.35 0.00 0.00 0.00 175.76 173.02 2k5f n PRO 45 N -4.18 0.06 -0.00 0.00 -0.04 -1.26 -0.01 135.00 129.57 2k5f n PRO 45 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2k5f n PRO 45 Cb 0.53 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.71 0.75 -0.67 1.53 4.77 -1.26 -4.98 117.00 116.44 2k5f n LEU 46 Ca 0.01 -0.76 -0.08 0.00 -0.03 0.00 0.00 56.01 55.15 2k5f n LEU 46 Cb 0.00 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2k5f n LEU 46 CO 0.00 0.19 -0.08 0.61 -1.33 0.00 0.00 177.39 176.78 2k5f n GLY 47 N -0.19 0.96 3.59 -0.72 0.00 0.98 -4.98 105.19 104.84 2k5f n GLY 47 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.89 -0.49 1.02 1.61 2.15 -1.26 -4.55 116.67 112.26 2k5f s ASP 48 Ca 0.00 0.76 -0.10 0.00 0.43 0.00 0.00 52.55 53.64 2k5f s ASP 48 Cb 0.00 1.30 0.14 0.00 -0.30 0.00 0.00 42.92 44.06 2k5f s ASP 48 CO 0.00 -0.12 0.79 -0.81 -0.17 0.00 0.00 175.17 174.86 2k5f n PRO 49 N 3.96 -0.99 -5.12 4.34 -0.04 -1.26 -4.63 135.00 131.26 2k5f n PRO 49 Ca -0.16 -1.22 -0.29 0.00 -0.04 0.00 0.00 63.50 61.79 2k5f n PRO 49 Cb 0.56 -0.85 -0.16 0.00 -0.04 0.00 0.00 33.50 33.01 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 -2.69 1.82 -0.21 0.52 1.01 0.44 -2.13 121.20 119.97 2k5f s ILE 50 Ca 0.45 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 2k5f s ILE 50 Cb -0.02 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 2k5f s ILE 50 CO 0.32 0.51 -0.05 -1.61 0.00 0.00 0.00 174.94 174.11 2k5f s GLU 51 N -0.26 3.38 0.06 2.79 2.02 0.10 -2.16 118.70 124.62 2k5f s GLU 51 Ca 0.01 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.41 2k5f s GLU 51 Cb -0.11 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.12 2k5f s GLU 51 CO 0.02 -0.15 -0.11 0.14 0.02 0.00 0.00 175.26 175.17 2k5f s VAL 52 N 1.35 0.83 -0.45 2.63 -7.23 -0.33 -0.51 120.40 116.68 2k5f s VAL 52 Ca 0.04 -1.20 -0.14 0.00 -1.81 0.00 0.00 61.98 58.88 2k5f s VAL 52 Cb -0.14 -0.84 0.07 0.00 0.56 0.00 0.00 36.38 36.02 2k5f s VAL 52 CO -0.03 -0.31 0.35 0.21 -0.31 0.00 0.00 175.10 175.02 2k5f s ASN 53 N -1.67 6.01 -0.37 4.85 3.84 0.01 0.35 114.94 127.97 2k5f s ASN 53 Ca -0.06 -1.35 -0.08 0.00 0.21 0.00 0.00 52.86 51.58 2k5f s ASN 53 Cb -0.10 -2.13 0.05 0.00 -0.55 0.00 0.00 41.25 38.52 2k5f s ASN 53 CO 0.01 -0.61 0.16 0.00 -2.79 0.00 0.00 177.10 173.88 2k5f n ASN 55 N 4.87 -5.00 0.00 0.00 3.02 0.25 -0.36 115.26 118.03 2k5f n ASN 55 Ca -0.11 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2k5f n ASN 55 Cb 0.44 -4.24 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 -0.84 0.56 3.46 7.41 0.00 -1.26 -5.04 105.19 109.47 2k5f n GLY 56 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.83 3.52 -0.58 1.61 -1.94 0.51 -5.05 119.30 116.54 2k5f s MET 57 Ca 0.00 -0.59 -0.26 0.00 -1.71 0.00 0.00 55.69 53.13 2k5f s MET 57 Cb 0.00 -3.49 0.04 0.00 2.01 0.00 0.00 34.83 33.39 2k5f s MET 57 CO 0.00 -0.31 1.09 -0.51 -0.01 0.00 0.00 175.02 175.28 2k5f s LEU 58 N 1.63 3.73 -0.04 -0.03 1.02 -1.26 0.44 118.68 124.17 2k5f s LEU 58 Ca 0.05 -0.16 -0.03 0.00 0.02 0.00 0.00 54.13 54.01 2k5f s LEU 58 Cb -0.16 -2.96 -0.04 0.00 0.02 0.00 0.00 46.19 43.05 2k5f s LEU 58 CO 0.06 -1.40 0.14 -0.76 0.02 0.00 0.00 176.35 174.41 2k5f s LEU 59 N 4.57 4.23 -0.12 1.79 1.43 0.16 -4.94 118.68 125.80 2k5f s LEU 59 Ca 0.36 0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2k5f s LEU 59 Cb -0.10 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2k5f s LEU 59 CO 0.22 0.30 -0.09 -0.89 0.23 0.00 0.00 176.35 176.12 2k5f s THR 60 N -1.21 1.13 0.33 5.49 2.01 -1.26 -1.19 115.64 120.93 2k5f s THR 60 Ca 0.23 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.92 2k5f s THR 60 Cb -0.12 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 2k5f s THR 60 CO 0.14 0.38 0.34 1.15 -0.69 0.00 0.00 174.62 175.94 2k5f n MET 61 N 4.85 0.49 -2.99 4.92 0.00 -0.92 -4.99 117.12 118.48 2k5f n MET 61 Ca -0.14 -3.10 -0.25 0.00 0.00 0.00 0.00 57.70 54.21 2k5f n MET 61 Cb 0.50 2.67 0.00 0.00 0.00 0.00 0.00 33.22 36.39 2k5f n MET 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2k5f s ARG 62 N -3.16 3.36 0.34 3.17 1.81 -1.26 -0.42 118.95 122.78 2k5f s ARG 62 Ca 0.36 -0.19 0.02 0.00 -1.72 0.00 0.00 55.73 54.20 2k5f s ARG 62 Cb 0.01 -2.52 0.61 0.00 -0.45 0.00 0.00 34.95 32.60 2k5f s ARG 62 CO 0.25 -0.12 1.97 -0.09 -0.68 0.00 0.00 175.30 176.64 2k5f h ARG 63 N 0.44 0.88 -0.30 3.54 2.43 -1.91 -1.67 114.38 117.80 2k5f h ARG 63 Ca -0.48 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2k5f h ARG 63 Cb 1.23 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 2k5f h ARG 63 CO 0.60 0.58 0.20 -2.95 -1.51 0.00 0.00 179.97 176.90 2k5f h ASN 64 N 0.91 0.28 -0.14 -3.80 -1.07 -1.94 0.29 115.58 110.12 2k5f h ASN 64 Ca 0.29 -0.01 -0.06 0.00 0.07 0.00 0.00 56.30 56.60 2k5f h ASN 64 Cb 0.04 -0.07 -0.00 0.00 -2.07 0.00 0.00 38.32 36.22 2k5f h ASN 64 CO -0.08 0.20 -0.13 -0.33 0.07 0.00 0.00 177.43 177.16 2k5f h GLU 65 N 0.33 0.33 -0.29 4.14 3.07 -1.69 -3.18 114.58 117.29 2k5f h GLU 65 Ca 0.12 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 2k5f h GLU 65 Cb 0.07 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 2k5f h GLU 65 CO -0.03 0.72 -0.13 0.00 -1.40 0.00 0.00 179.01 178.17 2k5f h ALA 66 N 0.61 1.22 -0.50 3.43 0.00 -0.82 -2.38 119.26 120.81 2k5f h ALA 66 Ca 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2k5f h ALA 66 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2k5f h ALA 66 CO 0.03 0.50 0.13 0.93 0.00 0.00 0.00 179.25 180.85 2k5f h GLU 67 N 0.47 0.76 0.00 0.00 5.08 -0.56 -1.61 114.58 118.72 2k5f h GLU 67 Ca 0.08 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2k5f h GLU 67 Cb 0.51 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2k5f h GLU 67 CO 0.03 0.68 -0.18 0.78 -1.00 0.00 0.00 179.01 179.32 2k5f h GLY 68 N 0.92 0.00 -4.83 -3.84 0.00 -1.41 -3.44 103.07 90.47 2k5f h GLY 68 Ca 0.17 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.94 2k5f h GLY 68 CO -0.00 0.00 0.10 -0.42 0.00 0.00 0.00 176.54 176.21 2k5f s ILE 69 N -4.04 4.91 -0.17 2.60 1.01 -0.61 -0.75 121.20 124.15 2k5f s ILE 69 Ca -0.02 1.48 -0.06 0.00 0.00 0.00 0.00 60.65 62.05 2k5f s ILE 69 Cb 0.12 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 2k5f s ILE 69 CO 0.62 0.32 0.03 -0.89 0.00 0.00 0.00 174.94 175.02 2k5f s THR 70 N 0.32 4.53 0.16 2.92 2.01 0.16 -0.93 115.64 124.81 2k5f s THR 70 Ca 0.37 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.30 2k5f s THR 70 Cb -0.19 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2k5f s THR 70 CO 0.20 0.48 -0.13 0.68 -0.69 0.00 0.00 174.62 175.16 2k5f s VAL 71 N 0.27 1.40 -0.15 3.82 -7.23 0.14 -0.77 120.40 117.88 2k5f s VAL 71 Ca 0.02 -2.03 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 2k5f s VAL 71 Cb -0.13 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.99 2k5f s VAL 71 CO 0.01 -0.62 -0.18 -2.28 -0.31 0.00 0.00 175.10 171.72 2k5f s HIS 72 N -2.92 2.49 0.27 2.82 2.46 0.55 -1.01 115.29 119.95 2k5f s HIS 72 Ca 0.17 -1.38 -0.30 0.00 0.47 0.00 0.00 55.06 54.01 2k5f s HIS 72 Cb -0.00 -1.75 -0.11 0.00 -0.13 0.00 0.00 32.58 30.58 2k5f s HIS 72 CO 0.03 -0.69 1.60 0.42 -2.47 0.00 0.00 174.74 173.63 2k5f s ILE 73 N 1.21 2.13 -0.61 0.89 1.01 -1.26 -0.21 121.20 124.35 2k5f s ILE 73 Ca 0.01 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 2k5f s ILE 73 Cb -0.14 -3.07 0.13 0.00 0.01 0.00 0.00 42.46 39.39 2k5f s ILE 73 CO -0.09 0.01 2.58 0.18 0.00 0.00 0.00 174.94 177.63 2k5f n LEU 74 N 2.53 6.82 -1.03 2.97 4.77 0.12 -3.74 117.00 129.44 2k5f n LEU 74 Ca 0.09 -4.31 -0.03 0.00 -0.03 0.00 0.00 56.01 51.74 2k5f n LEU 74 Cb 0.37 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.22 2k5f n LEU 74 CO 0.63 1.77 0.26 0.00 -1.33 0.00 0.00 177.39 178.72 2k5f n ALA 75 N 0.66 3.08 0.00 -1.18 0.00 -1.26 -4.92 120.51 116.88 2k5f n ALA 75 Ca 0.51 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2k5f n ALA 75 Cb 0.46 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 0.12 0.00 2.51 0.00 0.00 -1.25 -5.02 105.19 101.56 2k5f n GLY 76 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.30 -4.88 -4.89 1.61 2.03 -1.26 -4.98 116.55 102.87 2k5f n ASP 77 Ca 0.00 0.26 -0.29 0.00 0.52 0.00 0.00 54.79 55.28 2k5f n ASP 77 Cb 0.16 -3.32 0.03 0.00 -0.72 0.00 0.00 41.12 37.27 2k5f n ASP 77 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2k5f s GLU 78 N -2.74 3.08 0.00 -0.67 2.02 -1.26 -4.75 118.70 114.38 2k5f s GLU 78 Ca 0.00 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.33 2k5f s GLU 78 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 32.08 2k5f s GLU 78 CO 0.00 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.93 2k5f n GLY 79 N -2.75 0.82 3.62 -1.39 0.00 -1.26 -4.98 105.19 99.25 2k5f n GLY 79 Ca 0.05 -1.10 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 2k5f n GLY 79 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5f s HIS 80 N 0.00 -0.34 0.06 1.61 2.46 -1.26 -5.13 115.29 112.69 2k5f s HIS 80 Ca 0.00 0.74 -0.34 0.00 0.47 0.00 0.00 55.06 55.93 2k5f s HIS 80 Cb 0.00 0.42 -0.13 0.00 -0.13 0.00 0.00 32.58 32.73 2k5f s HIS 80 CO 0.00 -0.21 1.66 -2.30 -2.47 0.00 0.00 174.74 171.42 2k5f n PRO 81 N 1.53 2.04 -0.84 2.88 -0.02 -1.26 -4.95 135.00 134.37 2k5f n PRO 81 Ca -0.10 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 2k5f n PRO 81 Cb 0.57 -2.52 0.18 0.00 -0.02 0.00 0.00 33.50 31.70 2k5f n PRO 81 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2k5f s HIS 82 N 1.98 1.82 0.00 6.00 -3.43 -1.26 -5.06 115.29 115.34 2k5f s HIS 82 Ca 0.84 1.46 0.00 0.00 -0.80 0.00 0.00 55.06 56.56 2k5f s HIS 82 Cb -0.72 -3.20 0.00 0.00 -1.43 0.00 0.00 32.58 27.23 2k5f s HIS 82 CO 0.44 -2.90 0.00 0.41 -2.00 0.00 0.00 174.74 170.69 2k5f n GLY 83 N -0.12 4.86 0.72 -1.38 0.00 -1.26 -5.12 105.19 102.89 2k5f n GLY 83 Ca 0.08 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2k5f n GLY 83 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2k5f n TRP 84 N 0.00 -1.99 -0.37 1.61 5.03 -1.26 -4.74 117.44 115.72 2k5f n TRP 84 Ca 0.00 1.07 -0.01 0.00 3.03 0.00 0.00 57.50 61.59 2k5f n TRP 84 Cb 0.00 -2.05 0.13 0.00 -1.03 0.00 0.00 31.31 28.36 2k5f n TRP 84 CO 0.00 0.00 0.00 -1.35 -0.03 0.00 0.00 177.69 176.31 2k5f h PRO 85 N 0.48 1.27 0.00 -0.99 0.11 -2.08 -3.49 132.00 127.30 2k5f h PRO 85 Ca 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2k5f h PRO 85 Cb 0.18 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 31.00 2k5f h PRO 85 CO 0.00 0.84 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 2k5f n GLY 86 N -1.38 0.87 3.05 -0.55 0.00 -1.26 -5.06 105.19 100.85 2k5f n GLY 86 Ca 0.13 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.62 -0.76 -0.02 1.61 5.36 -1.26 -5.15 117.98 115.15 2k5f s PHE 87 Ca 0.00 1.09 0.07 0.00 -0.96 0.00 0.00 56.93 57.12 2k5f s PHE 87 Cb 0.00 0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.77 2k5f s PHE 87 CO 0.00 -0.59 -0.23 0.50 -1.46 0.00 0.00 175.22 173.44 2k5f s ARG 88 N 2.55 1.94 0.09 10.12 3.52 -1.26 -5.09 118.95 130.81 2k5f s ARG 88 Ca 0.06 -0.82 -0.32 0.00 -0.13 0.00 0.00 55.73 54.53 2k5f s ARG 88 Cb -0.14 -1.83 -0.11 0.00 -1.56 0.00 0.00 34.95 31.32 2k5f s ARG 88 CO -0.14 0.46 1.83 0.54 -0.81 0.00 0.00 175.30 177.19 2k5f n ARG 89 N 2.61 2.64 -1.59 5.12 1.74 -1.26 -4.97 116.66 120.95 2k5f n ARG 89 Ca -0.16 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 2k5f n ARG 89 Cb 0.52 -2.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.12 2k5f n ARG 89 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k5f n ARG 90 N 5.74 0.82 0.00 5.56 5.12 -1.26 -5.12 116.66 127.51 2k5f n ARG 90 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 2k5f n ARG 90 Cb 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.65 2k5f n ARG 90 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2k5f n HIS 91 N 0.00 -1.51 -3.87 -1.55 8.25 -1.26 -4.99 115.22 110.29 2k5f n HIS 91 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2k5f n HIS 91 Cb 0.00 0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 2k5f n HIS 91 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2k5f s ARG 92 N 0.00 1.07 -0.13 -0.41 1.70 -1.26 -5.15 118.95 114.77 2k5f s ARG 92 Ca 0.00 -1.03 0.02 0.00 -0.47 0.00 0.00 55.73 54.25 2k5f s ARG 92 Cb 0.00 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 2k5f s ARG 92 CO 0.00 -0.39 -0.19 0.12 -1.08 0.00 0.00 175.30 173.76 2k5f s PHE 93 N -3.91 2.37 0.00 5.89 5.36 -1.26 -5.07 117.98 121.36 2k5f s PHE 93 Ca 0.11 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.90 2k5f s PHE 93 Cb 0.03 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 41.06 2k5f s PHE 93 CO -0.05 -0.57 0.00 0.41 -1.46 0.00 0.00 175.22 173.55 2k5f n GLY 94 N 4.17 4.58 3.15 13.12 0.00 -1.26 -5.14 105.19 123.81 2k5f n GLY 94 Ca -0.19 -0.90 0.05 0.00 0.00 0.00 0.00 46.02 44.98 2k5f n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k5f s LYS 95 N -3.74 0.20 -0.33 1.61 2.36 -1.26 -5.13 119.74 113.46 2k5f s LYS 95 Ca 0.00 0.26 -0.26 0.00 -2.55 0.00 0.00 55.97 53.42 2k5f s LYS 95 Cb 0.00 0.13 0.01 0.00 -1.05 0.00 0.00 37.83 36.92 2k5f s LYS 95 CO 0.00 -0.32 0.93 0.50 1.55 0.00 0.00 175.35 178.00 2k5f s ARG 96 N 2.94 3.97 -0.08 4.03 3.52 -1.26 -5.02 118.95 127.06 2k5f s ARG 96 Ca 0.16 0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 56.23 2k5f s ARG 96 Cb -0.06 -3.75 -0.02 0.00 -1.56 0.00 0.00 34.95 29.56 2k5f s ARG 96 CO -0.19 -0.83 0.96 0.00 -0.81 0.00 0.00 175.30 174.43 2k5f s ALA 97 N 3.33 3.34 -1.38 6.12 0.00 -1.26 -4.91 121.76 126.99 2k5f s ALA 97 Ca 0.38 0.37 0.26 0.00 0.00 0.00 0.00 51.96 52.97 2k5f s ALA 97 Cb -0.13 -3.35 0.59 0.00 0.00 0.00 0.00 23.12 20.24 2k5f s ALA 97 CO 0.15 -0.46 1.47 1.28 0.00 0.00 0.00 175.76 178.20 2k5f n LEU 98 N 4.61 0.79 0.00 0.00 4.32 -1.26 -5.05 117.00 120.41 2k5f n LEU 98 Ca 0.07 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 2k5f n LEU 98 Cb 0.50 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 2k5f n LEU 98 CO 0.51 0.17 0.00 -0.62 -1.22 0.00 0.00 177.39 176.23 2k5f n GLU 99 N -1.07 0.00 -4.21 3.23 -0.58 -1.26 -4.87 120.64 111.88 2k5f n GLU 99 Ca 0.09 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.55 2k5f n GLU 99 Cb 0.34 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.13 2k5f n GLU 99 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2k5f s HIS 100 N 0.00 2.80 -0.99 -0.32 3.76 -1.26 -5.06 115.29 114.22 2k5f s HIS 100 Ca 0.00 -0.14 -0.15 0.00 -0.15 0.00 0.00 55.06 54.62 2k5f s HIS 100 Cb 0.00 -1.40 0.19 0.00 1.11 0.00 0.00 32.58 32.48 2k5f s HIS 100 CO 0.00 0.49 1.08 -1.01 -0.85 0.00 0.00 174.74 174.45 2k5f s HIS 101 N -1.54 3.60 0.08 1.40 3.76 -1.26 -4.82 115.29 116.51 2k5f s HIS 101 Ca 0.25 -1.96 0.22 0.00 -0.15 0.00 0.00 55.06 53.42 2k5f s HIS 101 Cb -0.10 -4.07 0.75 0.00 1.11 0.00 0.00 32.58 30.27 2k5f s HIS 101 CO 0.17 -1.22 1.75 1.12 -0.85 0.00 0.00 174.74 175.71 2k5f h HIS 102 N 7.78 0.00 -2.36 1.40 2.07 -2.01 -3.49 115.15 118.53 2k5f h HIS 102 Ca 0.18 0.00 0.27 0.00 -2.85 0.00 0.00 60.37 57.97 2k5f h HIS 102 Cb 0.97 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 30.86 2k5f h HIS 102 CO 1.04 0.28 -0.53 0.72 -3.07 0.00 0.00 177.93 176.37 2k5f n HIS 103 N -3.38 -2.65 -0.03 6.12 8.25 -1.26 -4.88 115.22 117.39 2k5f n HIS 103 Ca 0.00 1.36 -0.05 0.00 -0.26 0.00 0.00 57.72 58.78 2k5f n HIS 103 Cb 0.49 -2.40 -0.03 0.00 1.12 0.00 0.00 29.99 29.16 2k5f n HIS 103 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5f n HIS 104 N -3.59 0.00 -1.94 4.41 -0.00 -1.26 -5.28 115.22 107.56 2k5f n HIS 104 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2k5f n HIS 104 Cb 0.48 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.09 2k5f n HIS 104 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38