#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk n ALA 3 N 0.00 -1.87 -2.71 1.79 0.00 -1.26 -5.01 120.51 111.46 3abk n ALA 3 Ca 0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 3abk n ALA 3 Cb 0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 17.61 3abk n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3abk s LEU 4 N 0.73 4.29 0.65 0.00 1.43 -1.26 -5.09 118.68 119.44 3abk s LEU 4 Ca 0.63 0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 54.16 3abk s LEU 4 Cb -0.36 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 3abk s LEU 4 CO 0.60 0.16 1.10 0.00 0.23 0.00 0.00 176.35 178.44 3abk s ALA 5 N 0.11 2.52 -0.01 4.21 0.00 -1.26 -4.94 121.76 122.38 3abk s ALA 5 Ca 0.18 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 3abk s ALA 5 Cb -0.13 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3abk s ALA 5 CO 0.05 -1.20 1.23 0.21 0.00 0.00 0.00 175.76 176.06 3abk s LYS 6 N -4.10 4.36 0.48 0.00 2.20 -1.26 -5.02 119.74 116.41 3abk s LYS 6 Ca 0.66 1.75 0.07 0.00 -0.36 0.00 0.00 55.97 58.09 3abk s LYS 6 Cb -0.20 -3.50 0.03 0.00 -1.51 0.00 0.00 37.83 32.65 3abk s LYS 6 CO 0.41 -0.41 0.65 -1.25 -0.36 0.00 0.00 175.35 174.39 3abk s PRO 7 N 1.92 2.66 0.10 4.03 0.04 -1.26 -5.03 135.00 137.46 3abk s PRO 7 Ca 0.58 -1.26 -0.33 0.00 0.04 0.00 0.00 61.00 60.03 3abk s PRO 7 Cb -0.27 -2.69 -0.12 0.00 0.04 0.00 0.00 34.50 31.46 3abk s PRO 7 CO 0.25 -0.48 1.77 0.94 0.04 0.00 0.00 177.00 179.52 3abk n GLN 8 N -2.02 2.52 0.00 4.56 0.00 -1.26 -4.84 117.38 116.34 3abk n GLN 8 Ca 0.10 0.91 0.00 0.00 -0.00 0.00 0.00 57.00 58.01 3abk n GLN 8 Cb 0.60 -2.76 0.00 0.00 0.00 0.00 0.00 30.24 28.07 3abk n GLN 8 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3abk n MET 9 N 5.09 5.56 -4.34 3.69 2.81 -1.26 -5.03 117.12 123.64 3abk n MET 9 Ca 0.18 -0.04 -0.27 0.00 -1.81 0.00 0.00 57.70 55.75 3abk n MET 9 Cb 0.33 -0.50 -0.11 0.00 -0.71 0.00 0.00 33.22 32.24 3abk n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3abk s ARG 10 N -0.81 1.79 -1.47 0.03 0.52 -1.26 -4.72 118.95 113.03 3abk s ARG 10 Ca 0.00 -1.34 -0.05 0.00 -0.52 0.00 0.00 55.73 53.82 3abk s ARG 10 Cb 0.00 -2.03 0.02 0.00 0.52 0.00 0.00 34.95 33.46 3abk s ARG 10 CO 0.00 0.43 0.51 0.41 0.02 0.00 0.00 175.30 176.67 3abk n GLY 11 N 0.31 -0.51 0.22 -3.53 0.00 -1.26 -4.90 105.19 95.52 3abk n GLY 11 Ca -0.13 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3abk n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3abk h LEU 12 N -1.12 0.31 -0.05 0.99 3.38 -1.96 -0.79 115.31 116.07 3abk h LEU 12 Ca -0.49 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3abk h LEU 12 Cb 1.34 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3abk h LEU 12 CO 0.55 0.60 -0.06 0.25 0.09 0.00 0.00 178.44 179.87 3abk h LEU 13 N 0.28 0.14 -1.50 1.67 5.85 -1.99 -1.78 115.31 117.97 3abk h LEU 13 Ca 0.04 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.33 3abk h LEU 13 Cb 0.66 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3abk h LEU 13 CO 0.05 0.63 0.45 0.00 -0.34 0.00 0.00 178.44 179.23 3abk h ALA 14 N 0.51 1.88 -0.24 1.25 0.00 -1.93 -0.13 119.26 120.60 3abk h ALA 14 Ca 0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3abk h ALA 14 Cb 0.60 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3abk h ALA 14 CO 0.02 -0.02 -0.35 -0.09 0.00 0.00 0.00 179.25 178.80 3abk h ARG 15 N 0.57 0.66 -0.76 0.00 2.43 -1.13 -1.49 114.38 114.66 3abk h ARG 15 Ca 0.31 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3abk h ARG 15 Cb 0.47 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3abk h ARG 15 CO -0.10 1.01 0.26 -0.09 -1.51 0.00 0.00 179.97 179.53 3abk h ARG 16 N 0.38 1.17 0.61 0.20 2.43 -0.37 -1.91 114.38 116.89 3abk h ARG 16 Ca 0.02 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3abk h ARG 16 Cb 0.94 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3abk h ARG 16 CO 0.08 0.98 -0.29 1.25 -1.51 0.00 0.00 179.97 180.48 3abk h LEU 17 N 1.13 -0.69 -0.87 3.80 5.85 -0.88 -2.26 115.31 121.39 3abk h LEU 17 Ca 0.25 -0.03 0.23 0.00 0.84 0.00 0.00 57.88 59.17 3abk h LEU 17 Cb 0.28 0.18 -0.14 0.00 0.37 0.00 0.00 40.66 41.35 3abk h LEU 17 CO -0.01 -0.37 0.25 -0.09 -0.34 0.00 0.00 178.44 177.88 3abk h ARG 18 N -1.01 0.22 0.08 1.25 2.43 -1.23 0.27 114.38 116.39 3abk h ARG 18 Ca -0.08 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3abk h ARG 18 Cb 0.67 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3abk h ARG 18 CO 0.14 0.15 -0.04 0.35 -1.51 0.00 0.00 179.97 179.06 3abk h PHE 19 N 0.23 -0.10 0.00 2.20 3.04 -1.04 -1.74 116.94 119.53 3abk h PHE 19 Ca 0.54 -0.00 -0.13 0.00 3.98 0.00 0.00 57.97 62.36 3abk h PHE 19 Cb 1.07 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 3abk h PHE 19 CO -0.25 0.06 -0.60 0.45 -2.02 0.00 0.00 178.31 175.94 3abk h HIS 20 N -0.24 0.00 0.00 0.41 3.86 -0.73 -0.80 115.15 117.66 3abk h HIS 20 Ca -0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3abk h HIS 20 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3abk h HIS 20 CO -0.03 0.60 -0.00 0.82 0.86 0.00 0.00 177.93 180.18 3abk h ILE 21 N 0.00 1.35 -0.33 2.45 1.08 -0.93 0.44 117.51 121.58 3abk h ILE 21 Ca -0.01 -1.05 0.07 0.00 -0.39 0.00 0.00 64.86 63.49 3abk h ILE 21 Cb 1.21 2.06 -0.08 0.00 -3.07 0.00 0.00 36.82 36.94 3abk h ILE 21 CO 0.08 0.27 -0.24 0.58 -0.69 0.00 0.00 178.15 178.15 3abk h VAL 22 N -0.45 0.38 -0.29 1.67 2.07 -1.13 0.17 116.25 118.67 3abk h VAL 22 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3abk h VAL 22 Cb 0.45 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3abk h VAL 22 CO 0.00 0.00 0.08 1.23 0.02 0.00 0.00 177.57 178.90 3abk h GLY 23 N -0.20 0.43 1.05 2.17 0.00 -1.00 -2.00 103.07 103.52 3abk h GLY 23 Ca 0.17 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3abk h GLY 23 CO -0.44 0.20 -0.15 0.00 0.00 0.00 0.00 176.54 176.15 3abk h ALA 24 N 1.69 0.64 -0.28 3.60 0.00 0.17 -1.74 119.26 123.34 3abk h ALA 24 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3abk h ALA 24 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3abk h ALA 24 CO -0.01 0.57 0.13 0.35 0.00 0.00 0.00 179.25 180.29 3abk h PHE 25 N 0.75 0.23 -0.51 0.00 3.57 -0.07 -0.44 116.94 120.48 3abk h PHE 25 Ca 0.11 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 3abk h PHE 25 Cb 0.70 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.28 3abk h PHE 25 CO 0.05 0.12 -0.39 0.52 -2.23 0.00 0.00 178.31 176.39 3abk h MET 26 N 0.27 -0.23 -0.60 1.11 2.86 -1.31 -0.79 114.93 116.24 3abk h MET 26 Ca 0.12 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3abk h MET 26 Cb 0.05 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3abk h MET 26 CO -0.09 -0.15 0.38 0.28 1.06 0.00 0.00 176.91 178.38 3abk h VAL 27 N -0.24 1.16 -0.77 -2.22 2.07 -1.02 -0.12 116.25 115.11 3abk h VAL 27 Ca 0.18 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3abk h VAL 27 Cb 0.56 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3abk h VAL 27 CO -0.64 0.16 0.37 0.28 0.02 0.00 0.00 177.57 177.77 3abk h SER 28 N 0.82 1.01 0.61 0.57 0.02 -0.18 0.18 113.55 116.58 3abk h SER 28 Ca 0.22 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3abk h SER 28 Cb -0.07 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.22 3abk h SER 28 CO -0.04 0.86 -0.29 -0.07 -1.14 0.00 0.00 176.83 176.14 3abk h LEU 29 N 1.09 -0.70 -0.81 5.07 4.07 -0.45 -1.32 115.31 122.27 3abk h LEU 29 Ca 0.27 -0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.31 3abk h LEU 29 Cb 0.12 0.18 -0.12 0.00 1.08 0.00 0.00 40.66 41.91 3abk h LEU 29 CO -0.03 -0.38 -0.47 1.23 -1.08 0.00 0.00 178.44 177.70 3abk h GLY 30 N -1.01 -0.45 1.02 0.83 0.00 -0.97 -0.94 103.07 101.55 3abk h GLY 30 Ca -0.08 0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 3abk h GLY 30 CO 0.14 -0.11 0.47 -2.75 0.00 0.00 0.00 176.54 174.29 3abk h PHE 31 N -0.11 1.16 -0.72 5.60 3.04 -0.52 -0.44 116.94 124.95 3abk h PHE 31 Ca 0.21 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.19 3abk h PHE 31 Cb 0.53 -0.37 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 3abk h PHE 31 CO -0.85 0.80 0.43 0.00 -2.02 0.00 0.00 178.31 176.67 3abk h ALA 32 N 1.25 0.97 0.34 2.41 0.00 -0.72 0.35 119.26 123.85 3abk h ALA 32 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3abk h ALA 32 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3abk h ALA 32 CO -0.05 0.14 -0.16 1.15 0.00 0.00 0.00 179.25 180.33 3abk h THR 33 N 0.80 0.68 -0.68 0.00 2.02 0.04 0.28 112.91 116.05 3abk h THR 33 Ca 0.31 -0.15 0.11 0.00 0.77 0.00 0.00 66.41 67.46 3abk h THR 33 Cb 0.14 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 67.24 3abk h THR 33 CO -0.16 0.03 0.26 0.15 0.37 0.00 0.00 175.52 176.17 3abk h PHE 34 N -0.53 0.45 -0.01 3.16 3.57 -0.92 -2.64 116.94 120.02 3abk h PHE 34 Ca -0.05 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.26 3abk h PHE 34 Cb 0.40 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.04 3abk h PHE 34 CO -0.03 0.09 -0.93 -0.92 -2.23 0.00 0.00 178.31 174.28 3abk h TYR 35 N 0.43 0.69 -0.94 0.41 3.20 0.60 0.43 116.97 121.80 3abk h TYR 35 Ca 0.35 -0.37 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3abk h TYR 35 Cb 0.48 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 3abk h TYR 35 CO -0.17 1.19 0.62 0.87 -1.64 0.00 0.00 178.16 179.03 3abk h LYS 36 N 0.27 1.21 0.02 1.82 1.57 -0.42 -1.23 116.57 119.82 3abk h LYS 36 Ca -0.08 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.36 3abk h LYS 36 Cb 1.57 -0.27 0.02 0.00 0.08 0.00 0.00 32.23 33.63 3abk h LYS 36 CO 0.17 0.80 -1.05 0.35 -0.57 0.00 0.00 179.45 179.14 3abk h PHE 37 N 1.24 1.02 0.00 -1.35 3.04 -1.22 0.79 116.94 120.46 3abk h PHE 37 Ca 0.36 -0.57 0.00 0.00 3.98 0.00 0.00 57.97 61.74 3abk h PHE 37 Cb -0.09 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.31 3abk h PHE 37 CO -0.01 1.41 -0.66 0.00 -2.02 0.00 0.00 178.31 177.03 3abk h ALA 38 N 0.37 0.60 0.00 2.41 0.00 0.01 -3.30 119.26 119.35 3abk h ALA 38 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3abk h ALA 38 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3abk h ALA 38 CO 0.21 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.74 3abk n VAL 39 N -2.29 0.47 0.20 0.00 0.31 -0.51 -4.71 118.33 111.79 3abk n VAL 39 Ca 0.03 0.15 -0.12 0.00 -0.01 0.00 0.00 64.34 64.39 3abk n VAL 39 Cb 0.47 -0.96 -0.07 0.00 -0.91 0.00 0.00 33.84 32.37 3abk n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abk h ALA 40 N 0.00 -0.55 -0.22 3.52 0.00 -1.34 -1.43 119.26 119.24 3abk h ALA 40 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3abk h ALA 40 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3abk h ALA 40 CO 0.00 -0.59 -0.08 0.93 0.00 0.00 0.00 179.25 179.51 3abk h GLU 41 N -0.98 0.35 -0.73 0.00 4.39 0.39 -2.61 114.58 115.39 3abk h GLU 41 Ca -0.06 -0.08 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3abk h GLU 41 Cb 0.55 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 3abk h GLU 41 CO 0.09 0.44 0.42 -0.22 -1.16 0.00 0.00 179.01 178.59 3abk h LYS 42 N 0.34 0.75 0.36 2.33 3.64 -1.61 -0.87 116.57 121.51 3abk h LYS 42 Ca 0.07 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3abk h LYS 42 Cb 0.35 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3abk h LYS 42 CO 0.02 0.50 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.43 3abk h ARG 43 N 0.77 -0.47 -0.69 1.90 2.43 -0.90 0.81 114.38 118.23 3abk h ARG 43 Ca 0.33 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.67 3abk h ARG 43 Cb 0.19 0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 29.72 3abk h ARG 43 CO -0.18 -0.18 -0.15 0.87 -1.51 0.00 0.00 179.97 178.81 3abk h LYS 44 N -0.74 0.01 -0.45 0.20 1.57 -1.41 -0.91 116.57 114.85 3abk h LYS 44 Ca -0.05 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 3abk h LYS 44 Cb 0.51 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3abk h LYS 44 CO 0.08 0.01 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.67 3abk h LYS 45 N 0.01 0.85 0.00 3.15 3.64 -0.83 -0.90 116.57 122.49 3abk h LYS 45 Ca 0.33 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3abk h LYS 45 Cb 0.52 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.23 3abk h LYS 45 CO -0.70 0.94 -0.33 0.00 -2.27 0.00 0.00 179.45 177.09 3abk h ALA 46 N 0.88 -0.50 -0.21 5.00 0.00 -0.34 0.14 119.26 124.23 3abk h ALA 46 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3abk h ALA 46 Cb 0.61 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3abk h ALA 46 CO 0.04 -0.85 0.12 1.88 0.00 0.00 0.00 179.25 180.44 3abk h TYR 47 N -0.49 0.29 -0.01 0.00 -1.99 -1.13 -0.38 116.97 113.26 3abk h TYR 47 Ca 0.06 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.81 3abk h TYR 47 Cb 0.57 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.17 3abk h TYR 47 CO -0.36 0.24 -0.20 0.00 -0.00 0.00 0.00 178.16 177.84 3abk h ALA 48 N 1.02 -0.25 -0.28 3.88 0.00 -0.99 -0.83 119.26 121.81 3abk h ALA 48 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3abk h ALA 48 Cb 0.04 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3abk h ALA 48 CO -0.01 -0.69 0.14 -0.44 0.00 0.00 0.00 179.25 178.24 3abk h ASP 49 N -0.32 0.37 -0.25 0.00 3.45 -0.69 -1.62 116.42 117.36 3abk h ASP 49 Ca 0.06 -0.11 0.05 0.00 0.43 0.00 0.00 57.03 57.46 3abk h ASP 49 Cb 0.40 -0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 39.02 3abk h ASP 49 CO -0.19 0.38 -0.08 0.15 -1.57 0.00 0.00 179.24 177.93 3abk h PHE 50 N 0.33 -0.18 0.00 4.55 3.57 -0.65 -2.70 116.94 121.87 3abk h PHE 50 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3abk h PHE 50 Cb 0.10 0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3abk h PHE 50 CO -0.02 -0.13 -0.11 0.66 -2.23 0.00 0.00 178.31 176.48 3abk n TYR 51 N -5.24 0.33 -0.07 0.41 4.02 -0.35 -3.85 117.16 112.41 3abk n TYR 51 Ca -0.01 0.10 -0.08 0.00 -0.01 0.00 0.00 57.90 57.89 3abk n TYR 51 Cb 0.16 -0.62 -0.01 0.00 -0.02 0.00 0.00 39.34 38.85 3abk n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3abk h ARG 52 N 0.00 0.26 -0.38 -0.72 2.43 -0.94 -2.18 114.38 112.85 3abk h ARG 52 Ca 0.00 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 3abk h ARG 52 Cb 0.59 -0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.97 3abk h ARG 52 CO 0.00 0.18 -0.05 0.09 -1.51 0.00 0.00 179.97 178.67 3abk n ASN 53 N -4.98 2.53 -4.76 -3.80 3.02 -1.26 -5.05 115.26 100.95 3abk n ASN 53 Ca -0.01 -3.78 -0.40 0.00 -0.03 0.00 0.00 54.58 50.36 3abk n ASN 53 Cb 0.07 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.56 3abk n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3abk s TYR 54 N -3.25 3.37 -0.32 3.10 5.04 -0.82 -4.99 117.35 119.48 3abk s TYR 54 Ca 0.45 1.60 0.04 0.00 -2.44 0.00 0.00 57.07 56.71 3abk s TYR 54 Cb 0.41 -3.42 0.09 0.00 0.35 0.00 0.00 41.96 39.39 3abk s TYR 54 CO 0.00 -1.03 0.01 0.34 -1.34 0.00 0.00 175.55 173.53 3abk s ASP 55 N -0.76 4.65 0.30 4.32 -1.08 -1.26 -5.01 116.67 117.83 3abk s ASP 55 Ca 0.47 -1.93 0.06 0.00 -0.52 0.00 0.00 52.55 50.63 3abk s ASP 55 Cb -0.35 -1.58 0.49 0.00 -1.46 0.00 0.00 42.92 40.02 3abk s ASP 55 CO 0.45 -0.33 1.73 0.77 0.52 0.00 0.00 175.17 178.31 3abk h SER 56 N 7.67 0.28 -0.34 -0.34 4.64 -1.99 -1.85 113.55 121.62 3abk h SER 56 Ca -0.08 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.07 3abk h SER 56 Cb 1.03 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3abk h SER 56 CO 0.50 0.62 -0.04 0.24 -0.87 0.00 0.00 176.83 177.28 3abk h MET 57 N 0.23 0.63 -0.36 4.77 2.86 -1.99 0.12 114.93 121.19 3abk h MET 57 Ca 0.03 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3abk h MET 57 Cb 0.74 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 3abk h MET 57 CO 0.06 0.77 0.21 -0.22 1.06 0.00 0.00 176.91 178.79 3abk h LYS 58 N 0.42 0.50 -0.30 1.72 3.64 -1.93 -0.61 116.57 120.01 3abk h LYS 58 Ca 0.09 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3abk h LYS 58 Cb 0.51 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 3abk h LYS 58 CO 0.02 0.39 -0.07 0.22 -2.27 0.00 0.00 179.45 177.75 3abk h ASP 59 N 0.47 -0.27 -0.83 4.20 -0.00 -1.16 -1.34 116.42 117.49 3abk h ASP 59 Ca 0.13 0.09 0.07 0.00 -0.00 0.00 0.00 57.03 57.31 3abk h ASP 59 Cb 0.03 0.18 -0.05 0.00 -0.00 0.00 0.00 39.33 39.49 3abk h ASP 59 CO -0.02 -0.09 0.54 0.15 -0.00 0.00 0.00 179.24 179.81 3abk h PHE 60 N 0.01 0.92 -0.23 0.28 3.04 -0.49 -1.95 116.94 118.51 3abk h PHE 60 Ca 0.15 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.96 3abk h PHE 60 Cb 0.22 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 3abk h PHE 60 CO -0.28 0.48 -0.50 0.93 -2.02 0.00 0.00 178.31 176.92 3abk h GLU 61 N 0.90 0.64 -0.26 1.11 4.39 -0.38 0.45 114.58 121.44 3abk h GLU 61 Ca 0.36 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 3abk h GLU 61 Cb 0.23 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3abk h GLU 61 CO -0.13 0.99 -0.25 0.93 -1.16 0.00 0.00 179.01 179.40 3abk h GLU 62 N 0.50 0.49 -0.01 2.33 5.08 -0.99 0.36 114.58 122.34 3abk h GLU 62 Ca 0.02 -0.18 -0.24 0.00 -1.00 0.00 0.00 59.36 57.96 3abk h GLU 62 Cb 1.05 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.29 3abk h GLU 62 CO 0.10 0.70 -0.93 0.52 -1.00 0.00 0.00 179.01 178.40 3abk h MET 63 N 0.43 0.65 -0.08 2.33 2.86 -0.41 -2.22 114.93 118.50 3abk h MET 63 Ca 0.06 -0.69 0.04 0.00 -2.06 0.00 0.00 59.70 57.06 3abk h MET 63 Cb 0.66 0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.47 3abk h MET 63 CO 0.05 1.28 -0.20 -0.09 1.06 0.00 0.00 176.91 179.00 3abk h ARG 64 N 0.30 -0.28 0.00 1.72 2.43 0.06 -2.37 114.38 116.25 3abk h ARG 64 Ca -0.11 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3abk h ARG 64 Cb 1.59 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.21 3abk h ARG 64 CO 0.18 -0.18 -0.08 0.87 -1.51 0.00 0.00 179.97 179.25 3abk h LYS 65 N -0.29 0.00 0.00 0.20 1.57 -0.89 0.67 116.57 117.83 3abk h LYS 65 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3abk h LYS 65 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3abk h LYS 65 CO -0.24 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.72 3abk n ALA 66 N -2.20 2.44 -1.20 3.86 0.00 -0.84 -4.92 120.51 117.65 3abk n ALA 66 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3abk n ALA 66 Cb 0.24 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3abk n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3abk n GLY 67 N 1.00 0.50 0.20 0.00 0.00 0.23 -4.99 105.19 102.13 3abk n GLY 67 Ca 0.16 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.38 3abk n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3abk h ILE 68 N 0.00 0.30 -3.10 -0.61 3.07 -1.66 -3.47 117.51 112.04 3abk h ILE 68 Ca 0.00 -1.33 -0.58 0.00 1.55 0.00 0.00 64.86 64.51 3abk h ILE 68 Cb 0.33 2.07 -0.03 0.00 -0.27 0.00 0.00 36.82 38.91 3abk h ILE 68 CO 0.00 0.16 -0.33 -0.36 -1.05 0.00 0.00 178.15 176.57 3abk s PHE 69 N -3.21 3.48 0.09 0.16 2.99 -1.26 -4.99 117.98 115.24 3abk s PHE 69 Ca 0.05 0.50 0.02 0.00 0.00 0.00 0.00 56.93 57.50 3abk s PHE 69 Cb 0.06 -1.96 -0.24 0.00 0.00 0.00 0.00 43.02 40.88 3abk s PHE 69 CO 0.68 0.43 1.18 1.96 -0.00 0.00 0.00 175.22 179.48 3abk h GLN 70 N 2.69 0.12 -0.02 0.44 4.20 -2.02 -3.36 115.11 117.16 3abk h GLN 70 Ca -0.46 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.05 3abk h GLN 70 Cb 1.17 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3abk h GLN 70 CO 0.72 1.07 -0.25 -1.13 -0.67 0.00 0.00 178.83 178.57 3abk n SER 71 N -3.42 1.96 -3.64 1.46 3.41 -1.26 -4.85 113.62 107.29 3abk n SER 71 Ca -0.05 -1.49 -0.17 0.00 -0.26 0.00 0.00 58.87 56.91 3abk n SER 71 Cb 0.98 0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 65.01 3abk n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3abk s ALA 72 N -2.31 -0.22 -1.52 7.33 0.00 -1.26 -5.24 121.76 118.54 3abk s ALA 72 Ca 0.25 0.55 0.12 0.00 0.00 0.00 0.00 51.96 52.88 3abk s ALA 72 Cb 0.19 -0.93 0.10 0.00 0.00 0.00 0.00 23.12 22.48 3abk s ALA 72 CO 0.47 -0.68 0.89 1.63 0.00 0.00 0.00 175.76 178.06