#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cks s HIS 3 N 0.00 3.50 -0.03 0.00 0.09 -1.26 -5.02 115.29 112.57 1cks s HIS 3 Ca 0.00 -1.65 0.00 0.00 -0.00 0.00 0.00 55.06 53.41 1cks s HIS 3 Cb 0.00 -3.79 0.03 0.00 -0.00 0.00 0.00 32.58 28.82 1cks s HIS 3 CO 0.00 -1.00 0.01 -1.59 -0.00 0.00 0.00 174.74 172.15 1cks s LYS 4 N 0.90 0.21 -0.61 1.40 -2.85 -1.26 -5.10 119.74 112.43 1cks s LYS 4 Ca 0.10 0.10 -0.26 0.00 -1.00 0.00 0.00 55.97 54.91 1cks s LYS 4 Cb -0.21 -0.40 0.04 0.00 -2.06 0.00 0.00 37.83 35.20 1cks s LYS 4 CO -0.03 -0.13 1.11 1.14 0.10 0.00 0.00 175.35 177.54 1cks s GLN 5 N 0.97 3.35 -0.19 1.78 -2.07 -1.26 -5.01 119.66 117.24 1cks s GLN 5 Ca -0.09 -0.12 -0.09 0.00 -1.82 0.00 0.00 55.36 53.24 1cks s GLN 5 Cb -0.13 -4.08 -0.05 0.00 -1.09 0.00 0.00 33.01 27.66 1cks s GLN 5 CO -0.02 -1.74 0.10 0.42 -1.32 0.00 0.00 175.29 172.73 1cks s ILE 6 N 4.74 5.17 -0.16 3.63 1.01 -1.26 -3.99 121.20 130.33 1cks s ILE 6 Ca 0.35 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.92 1cks s ILE 6 Cb -0.10 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1cks s ILE 6 CO 0.20 0.46 0.49 -0.47 0.00 0.00 0.00 174.94 175.61 1cks s TYR 7 N 0.26 3.44 -0.36 3.97 5.04 -0.39 -4.92 117.35 124.39 1cks s TYR 7 Ca 0.07 0.81 -0.13 0.00 -2.44 0.00 0.00 57.07 55.38 1cks s TYR 7 Cb -0.12 -2.60 0.00 0.00 0.35 0.00 0.00 41.96 39.60 1cks s TYR 7 CO -0.01 0.04 0.25 0.71 -1.34 0.00 0.00 175.55 175.20 1cks s TYR 8 N 1.10 3.23 0.98 4.97 2.02 -1.26 -0.80 117.35 127.59 1cks s TYR 8 Ca 0.24 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 56.38 1cks s TYR 8 Cb -0.15 -2.50 0.18 0.00 -0.40 0.00 0.00 41.96 39.08 1cks s TYR 8 CO 0.10 -0.48 1.08 -1.54 -1.57 0.00 0.00 175.55 173.14 1cks s SER 9 N 1.68 2.72 0.65 2.29 1.04 -0.53 -5.02 113.70 116.54 1cks s SER 9 Ca 0.05 1.42 -0.12 0.00 0.48 0.00 0.00 55.95 57.79 1cks s SER 9 Cb -0.18 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 63.83 1cks s SER 9 CO 0.10 -3.10 1.05 -1.81 0.98 0.00 0.00 173.24 170.45 1cks s ASP 10 N -3.25 5.74 0.44 7.02 1.01 -1.26 -4.67 116.67 121.70 1cks s ASP 10 Ca 0.65 1.57 -0.20 0.00 0.71 0.00 0.00 52.55 55.28 1cks s ASP 10 Cb -0.20 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.14 1cks s ASP 10 CO 0.58 -1.20 0.96 -0.54 0.21 0.00 0.00 175.17 175.19 1cks s LYS 11 N -4.95 4.15 0.19 8.23 1.02 -1.26 -4.62 119.74 122.51 1cks s LYS 11 Ca 0.58 1.13 0.02 0.00 0.02 0.00 0.00 55.97 57.71 1cks s LYS 11 Cb -0.13 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 1cks s LYS 11 CO 0.52 -0.10 0.03 1.52 -0.92 0.00 0.00 175.35 176.39 1cks s TYR 12 N -2.20 1.29 0.06 3.18 1.13 -0.97 -4.97 117.35 114.87 1cks s TYR 12 Ca 0.62 -1.06 -0.12 0.00 -1.41 0.00 0.00 57.07 55.11 1cks s TYR 12 Cb -0.10 -0.74 0.01 0.00 -1.10 0.00 0.00 41.96 40.03 1cks s TYR 12 CO 0.16 -0.24 0.26 -0.59 -2.51 0.00 0.00 175.55 172.62 1cks s PHE 13 N -3.68 -0.01 0.00 -3.49 -0.71 -1.26 0.25 117.98 109.07 1cks s PHE 13 Ca 0.27 -0.25 0.00 0.00 -1.04 0.00 0.00 56.93 55.92 1cks s PHE 13 Cb 0.06 0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.92 1cks s PHE 13 CO 0.06 -0.52 0.00 -0.40 -1.34 0.00 0.00 175.22 173.02 1cks n ASP 14 N 0.33 0.00 0.21 1.98 5.68 -0.23 -4.99 116.55 119.53 1cks n ASP 14 Ca -0.17 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.24 1cks n ASP 14 Cb 0.61 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.77 1cks n ASP 14 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1cks h GLU 15 N 0.00 0.00 0.00 0.11 5.08 -2.05 -3.39 114.58 114.33 1cks h GLU 15 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cks h GLU 15 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1cks h GLU 15 CO 0.00 0.00 -0.66 0.72 -1.00 0.00 0.00 179.01 178.07 1cks n HIS 16 N -3.02 0.00 -4.20 4.33 8.25 -1.26 -5.11 115.22 114.21 1cks n HIS 16 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 1cks n HIS 16 Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 1cks n HIS 16 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1cks s TYR 17 N -1.37 1.03 0.11 4.41 2.02 -1.26 -5.15 117.35 117.14 1cks s TYR 17 Ca 0.00 -0.88 0.09 0.00 -0.37 0.00 0.00 57.07 55.91 1cks s TYR 17 Cb 0.00 -0.57 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 1cks s TYR 17 CO 0.00 -0.09 -0.19 -2.00 -1.57 0.00 0.00 175.55 171.70 1cks s GLU 18 N -3.82 1.77 0.05 -0.62 2.12 -1.26 -1.07 118.70 115.88 1cks s GLU 18 Ca 0.14 -1.18 0.02 0.00 0.36 0.00 0.00 54.97 54.31 1cks s GLU 18 Cb 0.05 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.31 1cks s GLU 18 CO -0.02 0.48 -0.07 0.71 -0.54 0.00 0.00 175.26 175.82 1cks s TYR 19 N -1.12 0.69 -0.03 5.30 1.51 0.14 -4.96 117.35 118.88 1cks s TYR 19 Ca 0.17 -0.63 -0.21 0.00 -1.01 0.00 0.00 57.07 55.40 1cks s TYR 19 Cb -0.11 -0.42 0.04 0.00 -0.11 0.00 0.00 41.96 41.37 1cks s TYR 19 CO 0.09 -0.12 0.45 0.50 -1.11 0.00 0.00 175.55 175.37 1cks s ARG 20 N -2.22 0.81 0.06 -0.62 3.52 -1.26 -2.30 118.95 116.94 1cks s ARG 20 Ca -0.04 -0.00 0.03 0.00 -0.13 0.00 0.00 55.73 55.58 1cks s ARG 20 Cb -0.06 0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 1cks s ARG 20 CO -0.01 -0.23 0.04 -1.01 -0.81 0.00 0.00 175.30 173.27 1cks s HIS 21 N -1.23 3.12 -0.06 5.12 3.76 -1.26 -5.01 115.29 119.72 1cks s HIS 21 Ca -0.12 0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.87 1cks s HIS 21 Cb -0.03 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 32.05 1cks s HIS 21 CO 0.06 0.50 -0.12 0.08 -0.85 0.00 0.00 174.74 174.41 1cks s VAL 22 N -1.28 1.13 -0.26 -0.90 1.01 -1.26 -1.46 120.40 117.38 1cks s VAL 22 Ca 0.25 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1cks s VAL 22 Cb -0.12 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1cks s VAL 22 CO 0.18 0.35 0.19 -0.04 0.00 0.00 0.00 175.10 175.78 1cks s MET 23 N 0.63 4.02 -0.10 2.72 -1.94 0.02 -4.95 119.30 119.70 1cks s MET 23 Ca -0.14 -0.26 -0.04 0.00 -1.71 0.00 0.00 55.69 53.54 1cks s MET 23 Cb -0.15 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.05 1cks s MET 23 CO 0.04 -0.06 0.06 -0.51 -0.01 0.00 0.00 175.02 174.54 1cks s LEU 24 N 1.40 3.94 0.40 -0.03 1.02 -1.26 -1.26 118.68 122.89 1cks s LEU 24 Ca 0.08 0.29 -0.25 0.00 0.02 0.00 0.00 54.13 54.27 1cks s LEU 24 Cb -0.15 -1.93 -0.11 0.00 0.02 0.00 0.00 46.19 44.02 1cks s LEU 24 CO 0.08 0.39 1.11 -0.81 0.02 0.00 0.00 176.35 177.13 1cks n PRO 25 N 2.08 1.57 -0.28 1.29 -0.04 -1.26 -4.78 135.00 133.58 1cks n PRO 25 Ca -0.19 0.56 0.21 0.00 -0.04 0.00 0.00 63.50 64.04 1cks n PRO 25 Cb 0.54 -2.14 0.40 0.00 -0.04 0.00 0.00 33.50 32.26 1cks n PRO 25 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1cks n ARG 26 N 0.21 -0.06 -0.03 0.54 0.63 -1.26 -1.26 116.66 115.43 1cks n ARG 26 Ca 0.08 1.22 -0.16 0.00 -0.92 0.00 0.00 57.85 58.08 1cks n ARG 26 Cb 0.38 -2.08 -0.08 0.00 0.45 0.00 0.00 32.46 31.13 1cks n ARG 26 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1cks h GLU 27 N 0.00 0.54 0.00 -0.14 4.39 -2.02 -2.98 114.58 114.37 1cks h GLU 27 Ca 0.64 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1cks h GLU 27 Cb 1.56 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.29 1cks h GLU 27 CO -0.72 1.05 -0.17 1.25 -1.16 0.00 0.00 179.01 179.26 1cks h LEU 28 N 0.16 0.00 -1.29 1.33 5.85 -1.70 -2.49 115.31 117.17 1cks h LEU 28 Ca -0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1cks h LEU 28 Cb 1.12 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1cks h LEU 28 CO 0.10 0.17 0.17 0.28 -0.34 0.00 0.00 178.44 178.82 1cks h SER 29 N 0.00 0.60 0.05 1.25 0.02 -1.03 -2.04 113.55 112.40 1cks h SER 29 Ca -0.00 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1cks h SER 29 Cb 0.56 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1cks h SER 29 CO 0.02 0.56 -0.05 0.11 -1.14 0.00 0.00 176.83 176.33 1cks h LYS 30 N 0.66 0.00 -0.00 3.45 1.57 -1.36 -2.58 116.57 118.30 1cks h LYS 30 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1cks h LYS 30 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1cks h LYS 30 CO -0.01 0.05 -0.02 1.04 -0.57 0.00 0.00 179.45 179.93 1cks n GLN 31 N -4.41 0.77 -2.67 3.15 6.02 -0.77 -4.87 117.38 114.61 1cks n GLN 31 Ca -0.03 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.45 1cks n GLN 31 Cb 0.13 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 1cks n GLN 31 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1cks s VAL 32 N -2.29 4.75 0.22 5.09 1.01 -0.97 -5.00 120.40 123.20 1cks s VAL 32 Ca 0.37 1.98 -0.31 0.00 0.00 0.00 0.00 61.98 64.02 1cks s VAL 32 Cb 0.21 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 32.17 1cks s VAL 32 CO 0.42 0.12 1.05 -2.65 0.00 0.00 0.00 175.10 174.05 1cks n PRO 33 N 4.14 1.13 0.02 2.72 -0.02 -1.26 -4.92 135.00 136.80 1cks n PRO 33 Ca 0.07 0.40 0.02 0.00 -2.02 0.00 0.00 63.50 61.97 1cks n PRO 33 Cb 0.50 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.08 1cks n PRO 33 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1cks n LYS 34 N 1.31 0.63 0.01 -0.52 4.76 -1.26 -4.47 118.16 118.62 1cks n LYS 34 Ca 0.13 0.13 0.11 0.00 -2.87 0.00 0.00 58.31 55.81 1cks n LYS 34 Cb 0.27 -1.74 0.06 0.00 -1.84 0.00 0.00 35.03 31.78 1cks n LYS 34 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1cks n THR 35 N -2.76 0.08 -3.58 -0.18 -2.24 -1.26 -4.99 114.28 99.35 1cks n THR 35 Ca -0.10 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 1cks n THR 35 Cb 0.79 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.40 1cks n THR 35 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1cks s HIS 36 N -3.10 -0.35 0.68 4.78 -3.43 -1.26 -5.16 115.29 107.45 1cks s HIS 36 Ca 0.07 0.10 -0.11 0.00 -0.80 0.00 0.00 55.06 54.31 1cks s HIS 36 Cb 0.16 0.60 -0.00 0.00 -1.43 0.00 0.00 32.58 31.90 1cks s HIS 36 CO 0.79 -0.83 1.07 -0.51 -2.00 0.00 0.00 174.74 173.25 1cks s LEU 37 N -2.74 3.03 0.05 5.38 1.43 -1.26 -4.70 118.68 119.86 1cks s LEU 37 Ca 0.06 1.31 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 1cks s LEU 37 Cb -0.02 -4.20 -0.06 0.00 0.03 0.00 0.00 46.19 41.94 1cks s LEU 37 CO -0.06 -1.21 0.43 -0.04 0.23 0.00 0.00 176.35 175.70 1cks s MET 38 N -5.24 3.89 0.82 1.70 -1.94 -1.26 -5.05 119.30 112.22 1cks s MET 38 Ca 0.57 0.37 -0.12 0.00 -1.71 0.00 0.00 55.69 54.80 1cks s MET 38 Cb -0.12 -3.12 0.09 0.00 2.01 0.00 0.00 34.83 33.69 1cks s MET 38 CO 0.53 0.62 1.16 -1.54 -0.01 0.00 0.00 175.02 175.79 1cks s SER 39 N -1.37 4.38 0.29 3.03 1.04 -1.26 -4.30 113.70 115.51 1cks s SER 39 Ca 0.29 0.86 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 1cks s SER 39 Cb -0.16 -1.41 0.43 0.00 0.10 0.00 0.00 66.02 64.98 1cks s SER 39 CO 0.16 -1.99 1.83 -0.08 0.98 0.00 0.00 173.24 174.14 1cks h GLU 40 N -1.11 0.79 -0.41 4.02 4.81 -1.98 -2.40 114.58 118.30 1cks h GLU 40 Ca -0.47 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 58.50 1cks h GLU 40 Cb 1.32 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1cks h GLU 40 CO 0.65 0.72 -0.14 1.49 -0.73 0.00 0.00 179.01 181.00 1cks h GLU 41 N 0.77 0.76 -0.19 1.92 4.81 -1.98 -1.35 114.58 119.31 1cks h GLU 41 Ca 0.17 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1cks h GLU 41 Cb 0.29 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1cks h GLU 41 CO -0.00 0.86 0.12 0.93 -0.73 0.00 0.00 179.01 180.19 1cks h GLU 42 N 0.68 0.25 0.00 1.92 5.08 -1.81 -0.68 114.58 120.03 1cks h GLU 42 Ca 0.11 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1cks h GLU 42 Cb 0.62 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1cks h GLU 42 CO 0.04 0.19 -0.69 0.11 -1.00 0.00 0.00 179.01 177.66 1cks h TRP 43 N 0.24 0.00 -0.24 4.33 5.08 -1.45 -2.80 115.95 121.11 1cks h TRP 43 Ca 0.07 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.97 1cks h TRP 43 Cb -0.00 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.14 1cks h TRP 43 CO -0.06 0.69 -0.17 0.00 -1.28 0.00 0.00 178.44 177.63 1cks h ARG 44 N 0.00 0.41 0.00 0.12 3.08 -1.03 -2.59 114.38 114.38 1cks h ARG 44 Ca -0.01 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1cks h ARG 44 Cb 1.40 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 1cks h ARG 44 CO 0.09 0.57 -0.17 0.00 -1.07 0.00 0.00 179.97 179.39 1cks h ARG 45 N 0.38 0.00 0.00 0.04 3.08 -1.04 -2.88 114.38 113.96 1cks h ARG 45 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1cks h ARG 45 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1cks h ARG 45 CO 0.03 0.17 -0.09 1.25 -1.07 0.00 0.00 179.97 180.26 1cks h LEU 46 N 0.00 0.00 0.00 3.04 6.46 -1.20 -3.48 115.31 120.13 1cks h LEU 46 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1cks h LEU 46 Cb 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1cks h LEU 46 CO 0.02 0.09 0.00 0.61 -0.62 0.00 0.00 178.44 178.55 1cks n GLY 47 N 0.80 1.18 3.65 3.75 0.00 -1.09 -5.05 105.19 108.43 1cks n GLY 47 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1cks n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cks s VAL 48 N -2.00 4.66 -0.55 1.61 1.01 -1.07 -4.97 120.40 119.09 1cks s VAL 48 Ca 0.00 1.88 -0.00 0.00 0.00 0.00 0.00 61.98 63.85 1cks s VAL 48 Cb 0.00 -4.31 0.14 0.00 0.00 0.00 0.00 36.38 32.21 1cks s VAL 48 CO 0.00 -0.25 0.33 -1.10 0.00 0.00 0.00 175.10 174.08 1cks s GLN 49 N 3.26 2.25 0.10 2.72 -1.52 -1.26 -4.53 119.66 120.68 1cks s GLN 49 Ca 0.43 -2.42 -0.03 0.00 -1.95 0.00 0.00 55.36 51.39 1cks s GLN 49 Cb -0.14 -3.56 -0.03 0.00 -0.22 0.00 0.00 33.01 29.06 1cks s GLN 49 CO 0.09 -1.13 0.06 1.14 -0.25 0.00 0.00 175.29 175.20 1cks s GLN 50 N 0.09 0.81 0.94 2.91 -2.07 -1.26 -5.15 119.66 115.93 1cks s GLN 50 Ca 0.15 -1.27 -0.12 0.00 -1.82 0.00 0.00 55.36 52.30 1cks s GLN 50 Cb -0.22 0.25 0.07 0.00 -1.09 0.00 0.00 33.01 32.02 1cks s GLN 50 CO -0.03 -0.22 0.62 0.43 -1.32 0.00 0.00 175.29 174.78 1cks n SER 51 N -0.02 -1.39 -4.84 12.60 7.64 -1.26 -4.98 113.62 121.37 1cks n SER 51 Ca -0.10 0.36 -0.31 0.00 1.01 0.00 0.00 58.87 59.82 1cks n SER 51 Cb 0.62 -1.29 0.02 0.00 -1.01 0.00 0.00 64.21 62.56 1cks n SER 51 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1cks s LEU 52 N -2.68 3.23 0.00 -3.43 1.43 -1.26 -3.71 118.68 112.26 1cks s LEU 52 Ca 0.60 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1cks s LEU 52 Cb -0.22 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.52 1cks s LEU 52 CO 0.65 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.75 1cks n GLY 53 N -2.28 2.68 3.73 -3.19 0.00 -1.26 -5.05 105.19 99.82 1cks n GLY 53 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1cks n GLY 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cks s TRP 54 N -2.66 3.14 -0.13 1.61 0.52 -1.24 -5.01 118.94 115.17 1cks s TRP 54 Ca 0.00 0.91 -0.00 0.00 0.02 0.00 0.00 56.10 57.02 1cks s TRP 54 Cb 0.00 -3.77 -0.02 0.00 -1.15 0.00 0.00 33.47 28.53 1cks s TRP 54 CO 0.00 -2.69 -0.12 0.08 0.02 0.00 0.00 176.95 174.25 1cks s VAL 55 N 0.74 3.19 -0.55 4.03 1.01 -1.26 -4.90 120.40 122.66 1cks s VAL 55 Ca 0.64 -0.62 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 1cks s VAL 55 Cb -0.40 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 1cks s VAL 55 CO 0.34 0.53 1.82 -2.28 0.00 0.00 0.00 175.10 175.51 1cks s HIS 56 N 0.24 1.74 -0.57 5.22 2.46 -1.26 -4.84 115.29 118.28 1cks s HIS 56 Ca -0.08 0.74 0.14 0.00 0.47 0.00 0.00 55.06 56.33 1cks s HIS 56 Cb -0.15 -4.12 -0.16 0.00 -0.13 0.00 0.00 32.58 28.03 1cks s HIS 56 CO 0.05 -2.41 0.55 2.48 -2.47 0.00 0.00 174.74 172.94 1cks n TYR 57 N 12.01 0.00 -3.71 3.88 4.11 -1.26 -4.54 117.16 127.65 1cks n TYR 57 Ca 0.20 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.96 1cks n TYR 57 Cb 0.51 -0.04 -0.09 0.00 -0.00 0.00 0.00 39.34 39.72 1cks n TYR 57 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.86 178.27 1cks s MET 58 N -2.37 0.66 -0.05 -3.48 0.00 -1.26 -5.08 119.30 107.72 1cks s MET 58 Ca 0.04 0.22 -0.28 0.00 0.00 0.00 0.00 55.69 55.67 1cks s MET 58 Cb 0.10 0.31 -0.03 0.00 0.00 0.00 0.00 34.83 35.21 1cks s MET 58 CO 0.56 -0.15 0.90 0.42 0.00 0.00 0.00 175.02 176.75 1cks s ILE 59 N -0.64 4.90 0.38 10.11 -1.09 -1.26 -5.05 121.20 128.56 1cks s ILE 59 Ca -0.07 1.86 -0.27 0.00 -2.23 0.00 0.00 60.65 59.94 1cks s ILE 59 Cb -0.04 -4.23 -0.09 0.00 -1.58 0.00 0.00 42.46 36.52 1cks s ILE 59 CO 0.04 0.14 1.27 -2.28 -1.23 0.00 0.00 174.94 172.88 1cks s HIS 60 N 1.26 2.96 -0.36 3.97 2.46 -1.26 -4.92 115.29 119.40 1cks s HIS 60 Ca 0.46 1.45 -0.44 0.00 0.47 0.00 0.00 55.06 57.01 1cks s HIS 60 Cb -0.19 -3.60 -0.19 0.00 -0.13 0.00 0.00 32.58 28.47 1cks s HIS 60 CO 0.22 -1.81 1.57 -1.91 -2.47 0.00 0.00 174.74 170.35 1cks n GLU 61 N 0.35 0.36 -2.61 2.88 0.00 -1.26 -4.90 120.64 115.46 1cks n GLU 61 Ca 0.03 0.13 -0.43 0.00 0.00 0.00 0.00 57.16 56.89 1cks n GLU 61 Cb 0.44 -1.69 -0.02 0.00 0.00 0.00 0.00 31.44 30.17 1cks n GLU 61 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 1cks s PRO 62 N 2.71 3.90 0.22 5.31 0.02 -1.26 -5.01 135.00 140.89 1cks s PRO 62 Ca 1.01 0.85 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 1cks s PRO 62 Cb -1.34 -3.82 -0.09 0.00 0.02 0.00 0.00 34.50 29.27 1cks s PRO 62 CO 0.73 -1.14 1.23 -2.00 -0.33 0.00 0.00 177.00 175.50 1cks s GLU 63 N 4.05 4.46 1.04 5.54 2.12 -1.26 -4.99 118.70 129.66 1cks s GLU 63 Ca 0.47 1.97 -0.16 0.00 0.36 0.00 0.00 54.97 57.61 1cks s GLU 63 Cb -0.10 -3.19 0.06 0.00 0.26 0.00 0.00 34.13 31.15 1cks s GLU 63 CO 0.23 -0.11 0.09 -0.35 -0.54 0.00 0.00 175.26 174.59 1cks n PRO 64 N 2.11 -0.93 -3.31 4.30 -0.04 -1.26 -4.96 135.00 130.90 1cks n PRO 64 Ca 0.03 -0.25 -0.44 0.00 -0.04 0.00 0.00 63.50 62.81 1cks n PRO 64 Cb 0.44 -1.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.10 1cks n PRO 64 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1cks s HIS 65 N -2.29 3.17 -0.22 0.54 3.76 -1.26 -5.04 115.29 113.95 1cks s HIS 65 Ca 0.55 -0.62 -0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1cks s HIS 65 Cb -0.15 -3.12 -0.05 0.00 1.11 0.00 0.00 32.58 30.37 1cks s HIS 65 CO 0.67 -0.81 0.14 0.42 -0.85 0.00 0.00 174.74 174.32 1cks s ILE 66 N 2.06 5.33 -0.17 0.60 1.01 -1.26 -5.10 121.20 123.67 1cks s ILE 66 Ca 0.10 0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 1cks s ILE 66 Cb -0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1cks s ILE 66 CO 0.11 0.38 0.08 -0.76 0.00 0.00 0.00 174.94 174.75 1cks s LEU 67 N 0.79 3.95 -0.28 2.97 1.43 -1.26 -5.09 118.68 121.19 1cks s LEU 67 Ca 0.07 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 1cks s LEU 67 Cb -0.13 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 1cks s LEU 67 CO 0.02 0.22 0.19 -0.76 0.23 0.00 0.00 176.35 176.25 1cks s LEU 68 N 0.09 4.04 0.07 1.79 1.43 -1.26 -5.11 118.68 119.74 1cks s LEU 68 Ca 0.06 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 1cks s LEU 68 Cb -0.12 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1cks s LEU 68 CO 0.00 -0.06 -0.23 -0.36 0.23 0.00 0.00 176.35 175.94 1cks s PHE 69 N 1.76 1.97 0.04 0.29 0.08 -1.26 -5.15 117.98 115.71 1cks s PHE 69 Ca 0.07 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 1cks s PHE 69 Cb -0.16 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1cks s PHE 69 CO 0.11 0.16 -0.00 -0.98 -0.10 0.00 0.00 175.22 174.41 1cks s ARG 70 N -1.50 0.52 -0.02 0.44 1.70 -1.26 -5.16 118.95 113.66 1cks s ARG 70 Ca 0.09 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 1cks s ARG 70 Cb -0.09 0.18 0.02 0.00 -0.57 0.00 0.00 34.95 34.49 1cks s ARG 70 CO 0.03 -0.10 0.01 0.50 -1.08 0.00 0.00 175.30 174.66 1cks s ARG 71 N -2.89 0.13 0.40 3.89 3.52 -1.26 -5.14 118.95 117.61 1cks s ARG 71 Ca -0.03 0.09 -0.26 0.00 -0.13 0.00 0.00 55.73 55.40 1cks s ARG 71 Cb 0.00 -0.31 -0.09 0.00 -1.56 0.00 0.00 34.95 32.99 1cks s ARG 71 CO -0.06 -0.11 1.36 -1.25 -0.81 0.00 0.00 175.30 174.42 1cks s PRO 72 N 0.82 3.96 0.69 5.12 0.04 -1.26 -5.02 135.00 139.34 1cks s PRO 72 Ca -0.08 2.29 -0.13 0.00 0.04 0.00 0.00 61.00 63.12 1cks s PRO 72 Cb -0.11 -2.79 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1cks s PRO 72 CO -0.02 -0.55 1.09 -0.51 0.04 0.00 0.00 177.00 177.06 1cks s LEU 73 N -2.39 3.28 0.54 -3.56 1.43 -1.26 -5.02 118.68 111.71 1cks s LEU 73 Ca 0.56 1.90 -0.20 0.00 -1.03 0.00 0.00 54.13 55.36 1cks s LEU 73 Cb -0.41 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.22 1cks s LEU 73 CO 0.53 -1.67 1.14 -2.84 0.23 0.00 0.00 176.35 173.74 1cks s PRO 74 N -4.39 3.37 0.00 1.29 0.02 -1.26 -5.35 135.00 128.68 1cks s PRO 74 Ca 0.64 1.64 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1cks s PRO 74 Cb -0.18 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1cks s PRO 74 CO 0.46 -0.84 0.28 0.36 -0.33 0.00 0.00 177.00 176.93