#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s THR 2 N 0.00 -0.04 0.04 0.44 -1.32 -1.26 -5.12 115.64 108.38 2occ s THR 2 Ca 0.00 0.13 -0.30 0.00 -1.21 0.00 0.00 61.69 60.31 2occ s THR 2 Cb 0.00 -0.34 -0.05 0.00 -1.51 0.00 0.00 72.50 70.60 2occ s THR 2 CO 0.00 0.05 1.12 0.00 -2.21 0.00 0.00 174.62 173.58 2occ s ALA 3 N 1.08 3.31 0.38 11.08 0.00 -1.26 -4.99 121.76 131.36 2occ s ALA 3 Ca -0.08 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 52.36 2occ s ALA 3 Cb -0.09 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 2occ s ALA 3 CO -0.07 -0.36 1.04 -0.51 0.00 0.00 0.00 175.76 175.86 2occ s LEU 4 N 1.06 4.21 0.63 0.00 2.01 -1.26 -5.02 118.68 120.31 2occ s LEU 4 Ca 0.56 2.04 -0.13 0.00 0.01 0.00 0.00 54.13 56.61 2occ s LEU 4 Cb -0.26 -4.10 -0.02 0.00 0.01 0.00 0.00 46.19 41.82 2occ s LEU 4 CO 0.29 -0.40 1.05 0.00 1.01 0.00 0.00 176.35 178.29 2occ s ALA 5 N -1.59 2.80 -0.06 4.21 0.00 -1.26 -4.96 121.76 120.89 2occ s ALA 5 Ca 0.55 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 2occ s ALA 5 Cb -0.23 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2occ s ALA 5 CO 0.29 -0.90 1.35 0.21 0.00 0.00 0.00 175.76 176.70 2occ s LYS 6 N -4.62 4.28 0.85 0.00 2.20 -1.26 -5.01 119.74 116.18 2occ s LYS 6 Ca 0.60 1.85 -0.08 0.00 -0.36 0.00 0.00 55.97 57.98 2occ s LYS 6 Cb -0.14 -3.66 0.17 0.00 -1.51 0.00 0.00 37.83 32.70 2occ s LYS 6 CO 0.46 -0.60 1.17 -1.25 -0.36 0.00 0.00 175.35 174.77 2occ s PRO 7 N 2.78 1.05 -0.02 4.03 0.04 -1.26 -5.03 135.00 136.59 2occ s PRO 7 Ca 0.61 -0.84 -0.30 0.00 0.04 0.00 0.00 61.00 60.51 2occ s PRO 7 Cb -0.28 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 2occ s PRO 7 CO 0.23 -2.00 1.05 -1.14 0.04 0.00 0.00 177.00 175.18 2occ s GLN 8 N -5.54 4.48 0.00 4.56 -0.44 -1.26 -4.94 119.66 116.53 2occ s GLN 8 Ca 0.71 1.50 0.00 0.00 -2.50 0.00 0.00 55.36 55.07 2occ s GLN 8 Cb -0.04 -3.47 0.00 0.00 -1.64 0.00 0.00 33.01 27.86 2occ s GLN 8 CO 0.49 -0.19 0.00 -1.33 0.50 0.00 0.00 175.29 174.76 2occ n MET 9 N 4.29 5.21 -4.22 1.67 2.81 -1.26 -5.00 117.12 120.63 2occ n MET 9 Ca 0.08 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.67 2occ n MET 9 Cb 0.49 -0.61 -0.09 0.00 -0.71 0.00 0.00 33.22 32.30 2occ n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2occ s ARG 10 N -1.22 2.26 -1.28 0.03 0.52 -1.26 -4.68 118.95 113.32 2occ s ARG 10 Ca 0.00 -0.96 -0.08 0.00 -0.52 0.00 0.00 55.73 54.18 2occ s ARG 10 Cb 0.00 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.10 2occ s ARG 10 CO 0.00 0.52 1.12 0.41 0.02 0.00 0.00 175.30 177.37 2occ n GLY 11 N 0.73 -0.47 0.12 -3.53 0.00 -1.26 -4.92 105.19 95.87 2occ n GLY 11 Ca -0.13 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 2occ n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2occ h LEU 12 N -2.51 0.00 0.07 0.99 3.38 -1.95 -0.89 115.31 114.41 2occ h LEU 12 Ca -0.55 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.26 2occ h LEU 12 Cb 1.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.12 2occ h LEU 12 CO 0.53 0.68 -0.70 0.25 0.09 0.00 0.00 178.44 179.29 2occ h LEU 13 N 0.00 0.49 -0.75 1.67 5.85 -1.98 -2.24 115.31 118.35 2occ h LEU 13 Ca -0.01 -0.86 -0.02 0.00 0.84 0.00 0.00 57.88 57.84 2occ h LEU 13 Cb 1.25 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2occ h LEU 13 CO 0.09 1.30 0.39 0.00 -0.34 0.00 0.00 178.44 179.88 2occ h ALA 14 N 0.20 0.96 -0.71 1.25 0.00 -1.95 0.04 119.26 119.04 2occ h ALA 14 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2occ h ALA 14 Cb 1.47 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2occ h ALA 14 CO 0.13 0.49 0.44 -0.09 0.00 0.00 0.00 179.25 180.22 2occ h ARG 15 N 1.04 0.95 -0.37 0.00 2.43 -1.21 -1.44 114.38 115.79 2occ h ARG 15 Ca 0.26 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 2occ h ARG 15 Cb 0.06 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2occ h ARG 15 CO -0.04 0.66 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.90 2occ h ARG 16 N 0.97 0.63 0.31 0.20 2.43 -0.67 -3.18 114.38 115.05 2occ h ARG 16 Ca 0.26 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2occ h ARG 16 Cb -0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2occ h ARG 16 CO -0.05 0.71 -0.15 1.25 -1.51 0.00 0.00 179.97 180.22 2occ h LEU 17 N 0.58 -0.35 -1.09 3.80 5.85 -0.18 -2.96 115.31 120.96 2occ h LEU 17 Ca 0.11 -0.16 0.32 0.00 0.84 0.00 0.00 57.88 58.98 2occ h LEU 17 Cb 0.50 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.49 2occ h LEU 17 CO 0.03 -0.01 0.62 0.03 -0.34 0.00 0.00 178.44 178.76 2occ h ARG 18 N -0.71 0.34 0.11 1.25 -0.00 -1.30 0.13 114.38 114.19 2occ h ARG 18 Ca -0.04 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 59.41 2occ h ARG 18 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.38 2occ h ARG 18 CO 0.07 0.22 -0.05 0.35 0.00 0.00 0.00 179.97 180.56 2occ h PHE 19 N 0.35 -0.14 -0.22 3.04 3.04 -1.57 -3.32 116.94 118.12 2occ h PHE 19 Ca 0.71 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.72 2occ h PHE 19 Cb 1.68 0.04 -0.01 0.00 2.56 0.00 0.00 35.95 40.23 2occ h PHE 19 CO -0.01 -0.08 0.16 0.45 -2.02 0.00 0.00 178.31 176.81 2occ h HIS 20 N -0.23 0.00 -0.19 0.41 3.86 -1.28 -1.13 115.15 116.60 2occ h HIS 20 Ca -0.01 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 2occ h HIS 20 Cb 0.11 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2occ h HIS 20 CO 0.10 0.00 0.15 0.97 0.86 0.00 0.00 177.93 180.01 2occ h ILE 21 N 0.00 0.80 0.04 2.45 6.09 -0.86 0.61 117.51 126.64 2occ h ILE 21 Ca 0.10 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.59 2occ h ILE 21 Cb 0.41 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.60 2occ h ILE 21 CO -0.00 0.00 -0.02 0.58 -3.07 0.00 0.00 178.15 175.64 2occ h VAL 22 N 0.00 1.37 -0.16 2.19 2.07 -1.31 -2.78 116.25 117.64 2occ h VAL 22 Ca 0.09 -1.50 0.05 0.00 0.82 0.00 0.00 66.70 66.15 2occ h VAL 22 Cb 0.38 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2occ h VAL 22 CO -0.00 0.37 0.17 1.23 0.02 0.00 0.00 177.57 179.36 2occ h GLY 23 N -0.73 0.00 0.92 2.17 0.00 -0.72 0.90 103.07 105.60 2occ h GLY 23 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2occ h GLY 23 CO 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.30 2occ h ALA 24 N 1.81 0.38 -0.35 3.60 0.00 0.21 -1.71 119.26 123.19 2occ h ALA 24 Ca 0.08 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2occ h ALA 24 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2occ h ALA 24 CO -0.00 0.36 -0.17 0.74 0.00 0.00 0.00 179.25 180.18 2occ h PHE 25 N 0.35 0.71 0.67 0.00 0.04 -0.60 -1.97 116.94 116.14 2occ h PHE 25 Ca 0.04 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 2occ h PHE 25 Cb 0.81 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.79 2occ h PHE 25 CO 0.07 0.78 -0.32 0.52 -0.60 0.00 0.00 178.31 178.76 2occ h MET 26 N 0.58 -0.87 -0.69 1.51 2.86 -1.06 -0.45 114.93 116.80 2occ h MET 26 Ca 0.09 0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 2occ h MET 26 Cb 0.62 0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.43 2occ h MET 26 CO 0.04 -0.56 0.41 0.28 1.06 0.00 0.00 176.91 178.14 2occ h VAL 27 N -0.98 1.01 -0.18 -2.22 2.07 -1.32 -0.85 116.25 113.78 2occ h VAL 27 Ca -0.09 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.01 2occ h VAL 27 Cb 0.71 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2occ h VAL 27 CO 0.15 0.14 -0.56 0.77 0.02 0.00 0.00 177.57 178.09 2occ h SER 28 N 0.76 0.60 1.33 0.57 4.64 -1.27 -2.66 113.55 117.53 2occ h SER 28 Ca 0.30 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2occ h SER 28 Cb 0.14 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2occ h SER 28 CO -0.16 1.04 0.00 -0.07 -0.87 0.00 0.00 176.83 176.77 2occ h LEU 29 N 0.41 0.00 0.14 5.97 3.38 -0.89 -2.84 115.31 121.48 2occ h LEU 29 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2occ h LEU 29 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2occ h LEU 29 CO 0.10 0.00 -0.07 1.23 0.09 0.00 0.00 178.44 179.80 2occ h GLY 30 N 2.76 -0.19 0.95 0.83 0.00 -0.82 -1.24 103.07 105.36 2occ h GLY 30 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.46 2occ h GLY 30 CO 0.00 -0.07 0.56 0.74 0.00 0.00 0.00 176.54 177.77 2occ h PHE 31 N -0.62 1.00 0.12 5.60 -1.00 -1.44 0.23 116.94 120.83 2occ h PHE 31 Ca -0.02 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2occ h PHE 31 Cb 0.47 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.70 2occ h PHE 31 CO 0.06 0.54 -0.06 0.00 -1.61 0.00 0.00 178.31 177.24 2occ h ALA 32 N 1.52 -0.17 0.00 2.45 0.00 -1.49 -1.96 119.26 119.62 2occ h ALA 32 Ca 0.36 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2occ h ALA 32 Cb 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2occ h ALA 32 CO -0.12 -0.35 -0.18 1.79 0.00 0.00 0.00 179.25 180.38 2occ h THR 33 N -0.64 0.78 -0.34 0.00 1.35 -0.88 0.46 112.91 113.63 2occ h THR 33 Ca -0.02 -0.72 -0.12 0.00 -0.55 0.00 0.00 66.41 65.00 2occ h THR 33 Cb 0.49 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 2occ h THR 33 CO 0.03 0.18 -0.27 0.15 -0.25 0.00 0.00 175.52 175.36 2occ h PHE 34 N 0.00 0.93 -0.70 4.73 3.04 -0.52 -2.25 116.94 122.17 2occ h PHE 34 Ca -0.00 -0.26 -0.07 0.00 3.98 0.00 0.00 57.97 61.62 2occ h PHE 34 Cb 0.42 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 38.70 2occ h PHE 34 CO 0.00 1.03 0.18 -0.92 -2.02 0.00 0.00 178.31 176.58 2occ h TYR 35 N 0.57 1.16 0.16 0.41 3.20 -0.44 -0.41 116.97 121.62 2occ h TYR 35 Ca 0.06 -0.13 0.01 0.00 3.14 0.00 0.00 58.73 61.81 2occ h TYR 35 Cb 0.84 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2occ h TYR 35 CO 0.07 0.94 -0.26 -0.22 -1.64 0.00 0.00 178.16 177.05 2occ h LYS 36 N 1.05 -0.48 0.14 1.82 3.64 -0.79 -1.19 116.57 120.76 2occ h LYS 36 Ca 0.22 0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.34 2occ h LYS 36 Cb 0.36 0.11 0.03 0.00 -0.41 0.00 0.00 32.23 32.31 2occ h LYS 36 CO 0.00 -0.32 -1.24 0.74 -2.27 0.00 0.00 179.45 176.36 2occ h PHE 37 N -0.49 0.97 0.00 1.91 0.04 -1.31 0.43 116.94 118.49 2occ h PHE 37 Ca 0.02 -0.63 0.00 0.00 2.80 0.00 0.00 57.97 60.16 2occ h PHE 37 Cb 0.50 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2occ h PHE 37 CO -0.21 1.47 0.00 0.00 -0.60 0.00 0.00 178.31 178.97 2occ h ALA 38 N 0.25 1.00 0.00 2.45 0.00 -1.15 -3.30 119.26 118.50 2occ h ALA 38 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2occ h ALA 38 Cb 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2occ h ALA 38 CO 0.24 0.00 -0.08 0.28 0.00 0.00 0.00 179.25 179.69 2occ n VAL 39 N -2.41 0.52 0.16 0.00 0.31 -0.56 -4.69 118.33 111.65 2occ n VAL 39 Ca 0.04 0.17 -0.14 0.00 -0.01 0.00 0.00 64.34 64.40 2occ n VAL 39 Cb 0.38 -1.03 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 2occ n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2occ h ALA 40 N 0.00 -0.32 -0.33 3.52 0.00 0.15 -2.04 119.26 120.23 2occ h ALA 40 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2occ h ALA 40 Cb 0.08 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2occ h ALA 40 CO 0.00 -0.68 -0.19 0.93 0.00 0.00 0.00 179.25 179.31 2occ h GLU 41 N -0.33 0.61 -0.77 0.00 4.39 -0.41 -2.58 114.58 115.49 2occ h GLU 41 Ca -0.03 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.46 2occ h GLU 41 Cb 0.25 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2occ h GLU 41 CO 0.05 0.77 0.50 -0.22 -1.16 0.00 0.00 179.01 178.95 2occ h LYS 42 N 0.55 0.98 -0.23 2.33 3.64 -1.61 -2.64 116.57 119.59 2occ h LYS 42 Ca 0.09 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 2occ h LYS 42 Cb 0.63 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2occ h LYS 42 CO 0.04 0.65 -0.48 -0.09 -2.27 0.00 0.00 179.45 177.31 2occ h ARG 43 N 1.01 0.60 -0.45 1.90 2.43 -1.11 0.37 114.38 119.14 2occ h ARG 43 Ca 0.29 -0.34 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 2occ h ARG 43 Cb -0.08 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2occ h ARG 43 CO -0.08 0.95 0.04 0.87 -1.51 0.00 0.00 179.97 180.24 2occ h LYS 44 N 0.48 0.70 -0.09 0.20 1.57 -1.34 -2.29 116.57 115.81 2occ h LYS 44 Ca 0.03 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 2occ h LYS 44 Cb 1.01 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2occ h LYS 44 CO 0.09 0.69 -0.21 -0.22 -0.57 0.00 0.00 179.45 179.24 2occ h LYS 45 N 0.67 0.29 -1.00 3.15 3.64 -1.29 -2.01 116.57 120.01 2occ h LYS 45 Ca 0.14 -0.20 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2occ h LYS 45 Cb 0.36 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 2occ h LYS 45 CO 0.01 0.80 0.63 0.00 -2.27 0.00 0.00 179.45 178.63 2occ h ALA 46 N 0.49 1.52 -0.02 5.00 0.00 -0.66 0.30 119.26 125.88 2occ h ALA 46 Ca -0.00 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 2occ h ALA 46 Cb 0.81 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.40 2occ h ALA 46 CO 0.05 0.23 -0.80 1.88 0.00 0.00 0.00 179.25 180.61 2occ h TYR 47 N 1.00 0.85 -0.67 0.00 -1.99 -1.46 -2.23 116.97 112.47 2occ h TYR 47 Ca 0.50 -0.45 -0.07 0.00 2.00 0.00 0.00 58.73 60.71 2occ h TYR 47 Cb 0.48 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 39.08 2occ h TYR 47 CO -0.00 1.27 0.15 0.00 -0.00 0.00 0.00 178.16 179.58 2occ h ALA 48 N 0.39 1.00 0.08 3.88 0.00 -0.60 -2.33 119.26 121.68 2occ h ALA 48 Ca -0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2occ h ALA 48 Cb 1.47 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2occ h ALA 48 CO 0.16 0.65 -0.04 -0.44 0.00 0.00 0.00 179.25 179.58 2occ h ASP 49 N 1.02 -0.09 0.01 0.00 5.19 -0.50 -3.07 116.42 118.98 2occ h ASP 49 Ca 0.21 -0.34 0.03 0.00 -0.62 0.00 0.00 57.03 56.31 2occ h ASP 49 Cb 0.37 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 2occ h ASP 49 CO 0.00 0.31 -0.32 0.15 -3.12 0.00 0.00 179.24 176.26 2occ h PHE 50 N -0.51 -0.87 0.00 4.55 3.04 -1.28 -2.71 116.94 119.17 2occ h PHE 50 Ca -0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2occ h PHE 50 Cb 0.43 0.38 0.00 0.00 2.56 0.00 0.00 35.95 39.32 2occ h PHE 50 CO 0.06 -0.41 0.00 0.66 -2.02 0.00 0.00 178.31 176.59 2occ n TYR 51 N -5.41 0.00 0.01 0.41 4.01 -0.89 -3.66 117.16 111.63 2occ n TYR 51 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 2occ n TYR 51 Cb 0.32 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 39.24 2occ n TYR 51 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2occ h ARG 52 N 0.00 -0.13 -0.89 -0.72 2.43 -1.37 -3.33 114.38 110.37 2occ h ARG 52 Ca 0.00 0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.60 2occ h ARG 52 Cb 0.02 0.03 -0.30 0.00 -0.42 0.00 0.00 29.97 29.30 2occ h ARG 52 CO 0.00 0.37 0.43 0.09 -1.51 0.00 0.00 179.97 179.35 2occ n ASN 53 N -4.83 6.02 -4.84 -3.80 3.02 -1.25 -4.99 115.26 104.59 2occ n ASN 53 Ca -0.07 -3.75 -0.38 0.00 -0.03 0.00 0.00 54.58 50.35 2occ n ASN 53 Cb 0.27 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 2occ n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2occ s TYR 54 N -3.64 3.68 -0.21 3.10 5.04 -1.24 -5.07 117.35 119.01 2occ s TYR 54 Ca 0.59 0.84 -0.01 0.00 -2.44 0.00 0.00 57.07 56.05 2occ s TYR 54 Cb 0.48 -2.20 0.06 0.00 0.35 0.00 0.00 41.96 40.65 2occ s TYR 54 CO 0.02 0.65 -0.01 0.34 -1.34 0.00 0.00 175.55 175.21 2occ s ASP 55 N -0.97 3.26 0.40 4.32 -1.08 -1.26 -5.01 116.67 116.33 2occ s ASP 55 Ca 0.21 -0.94 0.11 0.00 -0.52 0.00 0.00 52.55 51.41 2occ s ASP 55 Cb -0.15 -0.85 0.83 0.00 -1.46 0.00 0.00 42.92 41.28 2occ s ASP 55 CO 0.10 -0.27 1.92 0.77 0.52 0.00 0.00 175.17 178.21 2occ h SER 56 N 8.12 0.12 -0.18 -0.34 4.64 -1.98 -1.53 113.55 122.40 2occ h SER 56 Ca -0.18 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 2occ h SER 56 Cb 1.10 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2occ h SER 56 CO 0.37 0.33 -0.23 0.24 -0.87 0.00 0.00 176.83 176.67 2occ h MET 57 N 0.12 0.47 -0.49 4.77 2.86 -1.98 0.70 114.93 121.38 2occ h MET 57 Ca 0.02 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.42 2occ h MET 57 Cb 0.41 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 2occ h MET 57 CO 0.03 0.85 0.29 -0.22 1.06 0.00 0.00 176.91 178.92 2occ h LYS 58 N 0.12 0.56 -0.29 1.72 3.64 -1.92 -0.01 116.57 120.38 2occ h LYS 58 Ca 0.02 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2occ h LYS 58 Cb 0.80 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2occ h LYS 58 CO 0.05 0.37 0.15 0.22 -2.27 0.00 0.00 179.45 177.97 2occ h ASP 59 N 0.57 0.38 -0.42 4.20 3.58 -1.26 -1.70 116.42 121.77 2occ h ASP 59 Ca 0.20 -0.11 0.02 0.00 0.42 0.00 0.00 57.03 57.56 2occ h ASP 59 Cb 0.02 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 2occ h ASP 59 CO -0.09 0.38 0.24 0.15 -2.88 0.00 0.00 179.24 177.04 2occ h PHE 60 N 0.34 0.44 -0.27 0.28 3.57 -0.39 -1.65 116.94 119.26 2occ h PHE 60 Ca 0.10 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 2occ h PHE 60 Cb 0.10 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2occ h PHE 60 CO -0.02 0.25 0.07 0.93 -2.23 0.00 0.00 178.31 177.31 2occ h GLU 61 N 0.48 0.18 -0.81 1.11 4.39 -0.69 0.65 114.58 119.89 2occ h GLU 61 Ca 0.17 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.90 2occ h GLU 61 Cb 0.03 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2occ h GLU 61 CO -0.09 0.12 0.53 0.93 -1.16 0.00 0.00 179.01 179.34 2occ h GLU 62 N 0.19 0.93 -0.20 2.33 5.08 -1.05 0.16 114.58 122.02 2occ h GLU 62 Ca 0.12 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.28 2occ h GLU 62 Cb 0.11 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2occ h GLU 62 CO -0.15 0.62 -0.45 0.52 -1.00 0.00 0.00 179.01 178.55 2occ h MET 63 N 0.96 0.66 0.15 2.33 2.86 -0.27 -2.80 114.93 118.82 2occ h MET 63 Ca 0.33 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 2occ h MET 63 Cb 0.10 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2occ h MET 63 CO -0.11 1.06 -0.07 -0.09 1.06 0.00 0.00 176.91 178.76 2occ h ARG 64 N 0.35 -0.20 -0.03 1.72 2.43 0.12 -2.52 114.38 116.26 2occ h ARG 64 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2occ h ARG 64 Cb 1.06 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2occ h ARG 64 CO 0.10 -0.12 0.03 -0.22 -1.51 0.00 0.00 179.97 178.25 2occ h LYS 65 N -0.22 0.00 -0.00 0.20 3.64 -0.75 -1.01 116.57 118.43 2occ h LYS 65 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2occ h LYS 65 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2occ h LYS 65 CO 0.03 0.00 -0.06 0.00 -2.27 0.00 0.00 179.45 177.15 2occ n ALA 66 N -2.31 2.70 -1.53 5.00 0.00 -0.96 -4.94 120.51 118.47 2occ n ALA 66 Ca -0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.12 2occ n ALA 66 Cb 0.12 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 2occ n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2occ n GLY 67 N 1.21 0.48 0.14 0.00 0.00 -0.38 -4.97 105.19 101.67 2occ n GLY 67 Ca 0.17 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 2occ n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2occ h ILE 68 N 0.00 1.32 -4.21 -0.61 3.07 -1.75 -3.47 117.51 111.86 2occ h ILE 68 Ca -0.09 -2.80 -0.50 0.00 1.55 0.00 0.00 64.86 63.02 2occ h ILE 68 Cb 0.61 3.00 0.09 0.00 -0.27 0.00 0.00 36.82 40.25 2occ h ILE 68 CO 0.12 0.84 0.37 -0.36 -1.05 0.00 0.00 178.15 178.07 2occ s PHE 69 N -2.61 2.76 -1.35 0.16 0.08 -1.26 -4.97 117.98 110.79 2occ s PHE 69 Ca -0.08 1.53 0.12 0.00 0.12 0.00 0.00 56.93 58.62 2occ s PHE 69 Cb 0.05 -3.10 0.07 0.00 -0.57 0.00 0.00 43.02 39.47 2occ s PHE 69 CO 0.92 -1.48 0.82 0.00 -0.10 0.00 0.00 175.22 175.38 2occ n GLN 70 N -2.36 0.99 -0.01 0.44 10.64 -1.26 -4.50 117.38 121.32 2occ n GLN 70 Ca 0.10 -1.06 0.01 0.00 -1.83 0.00 0.00 57.00 54.22 2occ n GLN 70 Cb 0.52 -1.20 0.01 0.00 -0.86 0.00 0.00 30.24 28.72 2occ n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2occ n SER 71 N 0.43 1.78 -3.23 2.61 3.41 -1.26 -4.88 113.62 112.48 2occ n SER 71 Ca 0.06 -1.71 -0.02 0.00 -0.26 0.00 0.00 58.87 56.95 2occ n SER 71 Cb 0.28 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 2occ n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2occ s ALA 72 N -0.72 -2.02 -2.49 7.33 0.00 -1.26 -5.25 121.76 117.35 2occ s ALA 72 Ca 0.02 0.12 0.28 0.00 0.00 0.00 0.00 51.96 52.38 2occ s ALA 72 Cb 0.01 -2.58 1.07 0.00 0.00 0.00 0.00 23.12 21.62 2occ s ALA 72 CO 0.01 -2.15 1.76 1.63 0.00 0.00 0.00 175.76 177.02