#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iml n LYS 2 N 0.00 -2.94 -2.33 0.54 4.81 -1.26 -4.81 118.16 112.17 1iml n LYS 2 Ca 0.00 2.32 -0.42 0.00 -0.87 0.00 0.00 58.31 59.34 1iml n LYS 2 Cb 0.00 -3.03 -0.03 0.00 0.02 0.00 0.00 35.03 31.99 1iml n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iml n PRO 4 N 4.33 0.11 0.00 0.00 -0.02 -1.26 -3.28 135.00 134.88 1iml n PRO 4 Ca 0.11 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1iml n PRO 4 Cb 0.45 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1iml n PRO 4 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1iml n LYS 5 N -1.39 0.00 0.01 -0.52 0.00 -1.26 -4.77 118.16 110.23 1iml n LYS 5 Ca 0.05 0.02 0.08 0.00 0.00 0.00 0.00 58.31 58.46 1iml n LYS 5 Cb 0.15 -0.48 -0.13 0.00 0.00 0.00 0.00 35.03 34.57 1iml n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iml n ASP 7 N -2.46 -3.56 -4.16 0.00 -0.08 -1.21 -5.08 116.55 100.00 1iml n ASP 7 Ca -0.07 -0.16 -0.10 0.00 -1.51 0.00 0.00 54.79 52.94 1iml n ASP 7 Cb 0.66 -2.09 -0.10 0.00 2.34 0.00 0.00 41.12 41.93 1iml n ASP 7 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1iml s LYS 8 N -3.30 1.01 0.38 -0.67 1.02 -1.26 -4.95 119.74 111.96 1iml s LYS 8 Ca 0.10 -1.49 -0.13 0.00 0.02 0.00 0.00 55.97 54.46 1iml s LYS 8 Cb -0.01 0.25 -0.08 0.00 -0.52 0.00 0.00 37.83 37.47 1iml s LYS 8 CO 0.23 -0.30 0.78 -1.21 -0.92 0.00 0.00 175.35 173.93 1iml s GLU 9 N -4.08 3.91 -0.11 1.68 8.01 -1.26 0.86 118.70 127.71 1iml s GLU 9 Ca 0.28 0.63 0.02 0.00 0.01 0.00 0.00 54.97 55.91 1iml s GLU 9 Cb 0.07 -2.38 0.01 0.00 -4.31 0.00 0.00 34.13 27.53 1iml s GLU 9 CO 0.05 0.03 -0.16 0.08 0.01 0.00 0.00 175.26 175.27 1iml s VAL 10 N -2.21 1.56 -0.29 2.63 1.01 -1.26 -4.88 120.40 116.96 1iml s VAL 10 Ca 0.54 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 1iml s VAL 10 Cb -0.10 -1.42 0.15 0.00 0.00 0.00 0.00 36.38 35.01 1iml s VAL 10 CO 0.24 0.45 1.15 -0.47 0.00 0.00 0.00 175.10 176.48 1iml s TYR 11 N 0.97 -0.34 0.17 5.22 5.04 -1.26 -4.89 117.35 122.26 1iml s TYR 11 Ca -0.07 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 1iml s TYR 11 Cb -0.15 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.52 1iml s TYR 11 CO -0.02 -0.17 0.00 1.19 -1.34 0.00 0.00 175.55 175.22 1iml n PHE 12 N 2.46 -1.74 1.10 4.97 3.72 -1.26 -4.42 117.46 122.30 1iml n PHE 12 Ca -0.14 0.87 0.09 0.00 -0.05 0.00 0.00 57.45 58.23 1iml n PHE 12 Cb 0.57 -1.58 0.53 0.00 -0.94 0.00 0.00 39.48 38.05 1iml n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iml n ALA 13 N -1.85 2.15 0.30 4.37 0.00 -1.26 -1.23 120.51 122.99 1iml n ALA 13 Ca 0.00 -0.11 0.20 0.00 0.00 0.00 0.00 53.44 53.53 1iml n ALA 13 Cb 0.32 -1.29 1.08 0.00 0.00 0.00 0.00 19.45 19.56 1iml n ALA 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iml h GLU 14 N 0.00 0.00 -5.93 0.00 4.39 -1.92 -3.43 114.58 107.69 1iml h GLU 14 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1iml h GLU 14 Cb 0.01 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.60 1iml h GLU 14 CO 0.00 0.00 0.13 -0.98 -1.16 0.00 0.00 179.01 177.00 1iml s ARG 15 N -4.01 4.36 0.34 2.33 1.70 -0.37 0.07 118.95 123.38 1iml s ARG 15 Ca -0.04 0.83 0.04 0.00 -0.47 0.00 0.00 55.73 56.08 1iml s ARG 15 Cb 0.12 -3.49 -0.06 0.00 -0.57 0.00 0.00 34.95 30.94 1iml s ARG 15 CO 0.37 -0.06 0.06 0.14 -1.08 0.00 0.00 175.30 174.74 1iml s VAL 16 N 1.23 1.13 -0.03 4.99 -7.23 0.15 -4.89 120.40 115.76 1iml s VAL 16 Ca 0.35 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1iml s VAL 16 Cb -0.17 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 1iml s VAL 16 CO 0.15 0.00 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.89 1iml s THR 17 N -3.25 1.30 -0.30 5.32 2.01 -1.26 0.97 115.64 120.43 1iml s THR 17 Ca 0.34 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.50 1iml s THR 17 Cb 0.08 -1.10 0.19 0.00 0.01 0.00 0.00 72.50 71.68 1iml s THR 17 CO 0.15 0.37 1.18 -0.55 -0.69 0.00 0.00 174.62 175.09 1iml s SER 18 N -0.15 -0.20 -2.01 3.53 0.15 -1.22 -4.87 113.70 108.93 1iml s SER 18 Ca 0.01 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1iml s SER 18 Cb -0.09 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1iml s SER 18 CO 0.01 -0.05 0.00 0.18 1.20 0.00 0.00 173.24 174.58 1iml n LEU 19 N 3.74 -1.71 0.00 3.45 7.99 -1.26 -2.95 117.00 126.26 1iml n LEU 19 Ca -0.14 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 1iml n LEU 19 Cb 0.56 -2.89 0.00 0.00 -0.11 0.00 0.00 43.42 40.98 1iml n LEU 19 CO 0.02 -0.69 0.00 0.61 -1.51 0.00 0.00 177.39 175.82 1iml n GLY 20 N -0.69 3.12 3.41 -0.72 0.00 -1.26 -5.00 105.19 104.05 1iml n GLY 20 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1iml n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iml s LYS 21 N -0.38 3.23 1.22 1.61 3.01 -1.15 -5.09 119.74 122.19 1iml s LYS 21 Ca 0.00 -0.66 -0.20 0.00 -1.01 0.00 0.00 55.97 54.09 1iml s LYS 21 Cb 0.00 -2.61 0.30 0.00 -1.01 0.00 0.00 37.83 34.51 1iml s LYS 21 CO 0.00 0.31 1.13 -0.51 0.51 0.00 0.00 175.35 176.79 1iml s ASP 22 N 0.11 0.76 0.17 2.83 1.01 -1.26 -3.41 116.67 116.88 1iml s ASP 22 Ca -0.05 0.50 -0.11 0.00 0.71 0.00 0.00 52.55 53.60 1iml s ASP 22 Cb -0.15 -0.65 0.00 0.00 1.01 0.00 0.00 42.92 43.14 1iml s ASP 22 CO 0.04 -4.21 0.34 0.26 0.21 0.00 0.00 175.17 171.82 1iml s TRP 23 N -3.08 0.25 0.09 4.23 0.52 0.27 -4.12 118.94 117.10 1iml s TRP 23 Ca 0.72 -0.61 -0.24 0.00 0.02 0.00 0.00 56.10 55.99 1iml s TRP 23 Cb -0.08 0.06 -0.06 0.00 -1.15 0.00 0.00 33.47 32.24 1iml s TRP 23 CO 0.56 -0.76 0.73 -1.01 0.02 0.00 0.00 176.95 176.49 1iml s HIS 24 N -3.94 3.80 0.08 -1.98 3.76 -1.25 0.34 115.29 116.11 1iml s HIS 24 Ca 0.14 1.48 -0.22 0.00 -0.15 0.00 0.00 55.06 56.31 1iml s HIS 24 Cb 0.02 -2.75 -0.14 0.00 1.11 0.00 0.00 32.58 30.83 1iml s HIS 24 CO -0.01 0.40 1.69 -0.09 -0.85 0.00 0.00 174.74 175.88 1iml h ARG 25 N 5.08 0.07 0.00 1.40 9.65 -0.69 -1.31 114.38 128.58 1iml h ARG 25 Ca -0.46 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1iml h ARG 25 Cb 1.21 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1iml h ARG 25 CO 0.68 0.11 0.06 -1.00 2.80 0.00 0.00 179.97 182.62 1iml h PRO 26 N 0.01 0.00 0.01 0.20 0.13 -1.94 -2.64 132.00 127.78 1iml h PRO 26 Ca 0.02 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.97 1iml h PRO 26 Cb 0.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 1iml h PRO 26 CO -0.00 0.00 -0.94 0.00 -0.23 0.00 0.00 178.00 176.83 1iml s LEU 28 N -7.93 2.78 0.18 0.00 2.96 -0.59 -4.85 118.68 111.22 1iml s LEU 28 Ca -0.25 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.12 1iml s LEU 28 Cb 0.03 -2.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.11 1iml s LEU 28 CO 0.63 -3.89 -0.02 -0.54 -1.32 0.00 0.00 176.35 171.22 1iml s LYS 29 N 8.20 1.13 0.80 1.98 1.02 -1.26 -2.13 119.74 129.47 1iml s LYS 29 Ca 0.83 -1.54 -0.12 0.00 0.02 0.00 0.00 55.97 55.16 1iml s LYS 29 Cb -0.08 -0.37 0.08 0.00 -0.52 0.00 0.00 37.83 36.94 1iml s LYS 29 CO 0.10 -0.09 1.14 0.00 -0.92 0.00 0.00 175.35 175.58 1iml n GLU 31 N -3.42 0.98 -0.01 0.00 4.07 -1.25 -4.31 120.64 116.70 1iml n GLU 31 Ca 0.11 -2.48 -0.03 0.00 -0.06 0.00 0.00 57.16 54.70 1iml n GLU 31 Cb 0.52 -1.15 -0.01 0.00 -0.06 0.00 0.00 31.44 30.74 1iml n GLU 31 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1iml n LYS 32 N -0.80 0.17 0.07 5.31 4.81 -1.26 -4.87 118.16 121.58 1iml n LYS 32 Ca 0.13 0.07 0.11 0.00 -0.87 0.00 0.00 58.31 57.75 1iml n LYS 32 Cb 0.75 -0.69 -0.03 0.00 0.02 0.00 0.00 35.03 35.07 1iml n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iml n GLY 34 N 1.23 0.61 3.07 0.00 0.00 -1.26 -5.09 105.19 103.75 1iml n GLY 34 Ca -0.01 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1iml n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iml s LYS 35 N -3.13 0.38 1.23 1.61 -0.14 -1.26 -4.98 119.74 113.45 1iml s LYS 35 Ca 0.00 -0.28 -0.15 0.00 -1.36 0.00 0.00 55.97 54.18 1iml s LYS 35 Cb 0.00 0.16 0.31 0.00 -1.68 0.00 0.00 37.83 36.62 1iml s LYS 35 CO 0.00 -0.08 1.01 0.99 -0.76 0.00 0.00 175.35 176.50 1iml s THR 36 N -1.04 1.85 0.36 2.17 2.01 -1.26 -1.02 115.64 118.71 1iml s THR 36 Ca -0.11 0.00 0.04 0.00 0.31 0.00 0.00 61.69 61.93 1iml s THR 36 Cb -0.06 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 1iml s THR 36 CO 0.01 0.00 0.16 -0.76 -0.69 0.00 0.00 174.62 173.33 1iml s LEU 37 N -7.36 1.87 0.00 4.42 1.43 -0.91 -4.75 118.68 113.38 1iml s LEU 37 Ca 0.69 -1.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.17 1iml s LEU 37 Cb -0.23 0.07 0.02 0.00 0.03 0.00 0.00 46.19 46.08 1iml s LEU 37 CO 0.63 -0.92 0.17 0.41 0.23 0.00 0.00 176.35 176.88 1iml n THR 38 N -0.75 0.00 0.21 5.49 -1.04 -1.26 -4.98 114.28 111.95 1iml n THR 38 Ca -0.02 -1.07 0.13 0.00 -2.04 0.00 0.00 64.05 61.05 1iml n THR 38 Cb 0.65 -0.21 0.66 0.00 -1.82 0.00 0.00 70.33 69.60 1iml n THR 38 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1iml h SER 39 N 0.35 0.00 0.00 8.00 0.87 -2.01 -3.34 113.55 117.42 1iml h SER 39 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1iml h SER 39 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1iml h SER 39 CO 0.27 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.18 1iml n GLY 40 N -1.13 -1.83 0.02 5.77 0.00 -1.26 -4.73 105.19 102.03 1iml n GLY 40 Ca -0.01 0.78 0.02 0.00 0.00 0.00 0.00 46.02 46.81 1iml n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iml n GLY 41 N 0.00 2.59 0.00 -0.02 0.00 -1.26 -5.04 105.19 101.46 1iml n GLY 41 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1iml n GLY 41 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1iml n HIS 42 N -0.58 -2.88 -2.86 1.61 -0.00 -1.26 -4.03 115.22 105.21 1iml n HIS 42 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1iml n HIS 42 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.34 1iml n HIS 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1iml n ALA 43 N -3.00 0.00 -3.46 1.59 0.00 0.27 -4.57 120.51 111.35 1iml n ALA 43 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1iml n ALA 43 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1iml n ALA 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iml s GLU 44 N -0.69 1.02 -0.10 0.00 2.12 -1.26 0.81 118.70 120.60 1iml s GLU 44 Ca 0.00 0.10 0.11 0.00 0.36 0.00 0.00 54.97 55.55 1iml s GLU 44 Cb 0.00 0.48 0.51 0.00 0.26 0.00 0.00 34.13 35.37 1iml s GLU 44 CO 0.00 -0.33 1.34 -2.39 -0.54 0.00 0.00 175.26 173.34 1iml n HIS 45 N 0.82 1.12 -3.05 5.30 1.44 -1.22 -4.90 115.22 114.72 1iml n HIS 45 Ca -0.19 -0.42 -0.04 0.00 -2.01 0.00 0.00 57.72 55.05 1iml n HIS 45 Cb 0.58 -0.24 0.00 0.00 0.12 0.00 0.00 29.99 30.45 1iml n HIS 45 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1iml n GLU 46 N 0.61 -1.64 0.00 -1.40 -0.58 -1.26 -4.81 120.64 111.56 1iml n GLU 46 Ca 0.18 1.64 0.00 0.00 -0.42 0.00 0.00 57.16 58.55 1iml n GLU 46 Cb 0.71 -5.51 0.00 0.00 -0.57 0.00 0.00 31.44 26.07 1iml n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iml n GLY 47 N -1.33 1.14 3.64 0.62 0.00 -1.26 -5.10 105.19 102.89 1iml n GLY 47 Ca 0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 1iml n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iml s LYS 48 N 0.00 0.69 0.52 1.61 1.02 -1.26 -4.74 119.74 117.59 1iml s LYS 48 Ca 0.00 1.03 -0.23 0.00 0.02 0.00 0.00 55.97 56.79 1iml s LYS 48 Cb 0.00 0.23 -0.06 0.00 -0.52 0.00 0.00 37.83 37.49 1iml s LYS 48 CO 0.00 -0.12 1.38 -1.25 -0.92 0.00 0.00 175.35 174.44 1iml s PRO 49 N 1.05 3.28 0.00 -1.68 0.04 -1.26 -3.44 135.00 132.98 1iml s PRO 49 Ca -0.05 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1iml s PRO 49 Cb -0.05 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1iml s PRO 49 CO -0.11 -1.10 0.00 0.66 0.04 0.00 0.00 177.00 176.49 1iml n TYR 50 N -0.82 0.00 -0.05 0.56 4.02 0.24 -3.87 117.16 117.25 1iml n TYR 50 Ca 0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.92 1iml n TYR 50 Cb 0.44 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.82 1iml n TYR 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1iml n ASN 52 N -3.37 0.38 -3.63 0.00 2.85 -1.26 -2.65 115.26 107.58 1iml n ASN 52 Ca 0.03 -0.02 -0.05 0.00 -0.11 0.00 0.00 54.58 54.43 1iml n ASN 52 Cb 0.11 0.73 -0.02 0.00 1.24 0.00 0.00 39.78 41.84 1iml n ASN 52 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1iml s HIS 53 N -2.50 -0.21 -1.44 1.20 3.76 -1.26 -3.94 115.29 110.90 1iml s HIS 53 Ca -0.15 0.01 0.16 0.00 -0.15 0.00 0.00 55.06 54.93 1iml s HIS 53 Cb 0.07 0.58 0.80 0.00 1.11 0.00 0.00 32.58 35.14 1iml s HIS 53 CO 0.79 -0.62 1.45 -0.35 -0.85 0.00 0.00 174.74 175.16 1iml n PRO 54 N -0.36 0.23 -0.36 8.40 -0.04 -1.26 -4.86 135.00 136.75 1iml n PRO 54 Ca -0.07 0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1iml n PRO 54 Cb 0.61 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.69 1iml n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iml h TYR 56 N 1.33 0.79 -0.62 0.00 3.20 -1.76 -1.39 116.97 118.52 1iml h TYR 56 Ca 0.36 -0.18 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1iml h TYR 56 Cb -0.15 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 37.90 1iml h TYR 56 CO 0.00 0.88 0.07 -1.13 -1.64 0.00 0.00 178.16 176.33 1iml n SER 57 N -4.10 5.54 -0.02 -2.11 3.41 -1.03 -3.73 113.62 111.57 1iml n SER 57 Ca -0.00 -3.01 -0.11 0.00 -0.26 0.00 0.00 58.87 55.49 1iml n SER 57 Cb 0.44 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.64 1iml n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iml h ALA 58 N 3.67 0.17 0.00 7.33 0.00 0.21 -3.39 119.26 127.24 1iml h ALA 58 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1iml h ALA 58 Cb 2.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1iml h ALA 58 CO 0.56 -0.32 -0.53 -0.12 0.00 0.00 0.00 179.25 178.84 1iml n MET 59 N -4.97 2.43 -2.29 0.00 0.00 -1.26 -5.03 117.12 105.99 1iml n MET 59 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.25 1iml n MET 59 Cb 0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 33.22 32.48 1iml n MET 59 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1iml s PHE 60 N -1.32 2.06 0.00 1.12 0.08 -1.24 -4.80 117.98 113.87 1iml s PHE 60 Ca 0.00 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.52 1iml s PHE 60 Cb 0.00 -4.33 0.00 0.00 -0.57 0.00 0.00 43.02 38.12 1iml s PHE 60 CO 0.00 -2.16 0.00 0.41 -0.10 0.00 0.00 175.22 173.37 1iml n GLY 61 N 5.44 1.12 3.70 4.36 0.00 -1.26 -4.78 105.19 113.76 1iml n GLY 61 Ca 0.13 -1.09 -0.44 0.00 0.00 0.00 0.00 46.02 44.63 1iml n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iml n PRO 62 N -0.79 2.52 0.00 1.61 -0.04 -1.26 -4.62 135.00 132.41 1iml n PRO 62 Ca 0.00 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1iml n PRO 62 Cb 0.00 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 1iml n PRO 62 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1iml n LYS 63 N 4.03 0.00 -3.84 0.54 0.00 -1.26 -5.17 118.16 112.46 1iml n LYS 63 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1iml n LYS 63 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.36 1iml n LYS 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1iml n GLY 64 N 0.00 -1.60 3.25 3.14 0.00 -1.26 -5.13 105.19 103.59 1iml n GLY 64 Ca 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1iml n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1iml s PHE 65 N -2.82 -0.73 0.00 1.61 -0.12 -1.26 -5.11 117.98 109.56 1iml s PHE 65 Ca 0.00 1.43 0.00 0.00 -0.05 0.00 0.00 56.93 58.31 1iml s PHE 65 Cb 0.00 0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.66 1iml s PHE 65 CO 0.00 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.14 1iml n GLY 66 N 5.13 2.18 3.50 1.99 0.00 -1.26 -5.16 105.19 111.56 1iml n GLY 66 Ca -0.12 0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.96 1iml n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1iml s ARG 67 N 2.33 0.19 0.00 1.61 0.52 -1.26 -5.13 118.95 117.22 1iml s ARG 67 Ca 0.00 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 1iml s ARG 67 Cb 0.00 0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.60 1iml s ARG 67 CO 0.00 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1iml n GLY 68 N 3.96 0.04 0.00 -3.53 0.00 -1.26 -5.04 105.19 99.37 1iml n GLY 68 Ca -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1iml n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iml n GLY 69 N 0.00 2.64 0.00 -0.02 0.00 -1.26 -5.19 105.19 101.36 1iml n GLY 69 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1iml n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iml n ALA 70 N -3.00 0.00 -2.40 4.61 0.00 -1.26 -4.95 120.51 113.51 1iml n ALA 70 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1iml n ALA 70 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1iml n ALA 70 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1iml n GLU 71 N 0.00 -1.78 -3.15 0.00 2.13 -1.26 -4.91 120.64 111.68 1iml n GLU 71 Ca 0.00 0.95 0.05 0.00 0.66 0.00 0.00 57.16 58.81 1iml n GLU 71 Cb 0.00 -5.60 -0.00 0.00 0.27 0.00 0.00 31.44 26.11 1iml n GLU 71 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1iml s SER 72 N -2.05 -0.82 0.00 4.31 1.04 -1.26 -5.06 113.70 109.85 1iml s SER 72 Ca 0.00 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1iml s SER 72 Cb 0.00 1.55 0.00 0.00 0.10 0.00 0.00 66.02 67.67 1iml s SER 72 CO 0.00 -0.15 0.00 1.41 0.98 0.00 0.00 173.24 175.48 1iml n HIS 73 N 5.27 0.00 0.16 5.02 8.25 -1.26 -5.06 115.22 127.59 1iml n HIS 73 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1iml n HIS 73 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1iml n HIS 73 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1iml n THR 74 N -2.50 0.00 -1.20 1.59 -1.04 -1.26 -5.16 114.28 104.71 1iml n THR 74 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1iml n THR 74 Cb 0.00 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 1iml n THR 74 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1iml n PHE 75 N -3.35 -3.30 -0.53 -1.42 3.72 -1.26 -5.30 117.46 106.03 1iml n PHE 75 Ca 0.00 1.77 0.00 0.00 -0.05 0.00 0.00 57.45 59.17 1iml n PHE 75 Cb 0.00 -2.88 0.00 0.00 -0.94 0.00 0.00 39.48 35.66 1iml n PHE 75 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34