#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ s THR 2 N 0.00 0.00 0.23 6.66 -1.32 -1.26 -5.15 115.64 114.81 1occ s THR 2 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1occ s THR 2 Cb 0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1occ s THR 2 CO 0.00 0.00 0.86 0.00 -2.21 0.00 0.00 174.62 173.27 1occ s ALA 3 N 0.27 3.36 0.46 11.08 0.00 -1.26 -5.03 121.76 130.65 1occ s ALA 3 Ca 0.03 0.46 -0.21 0.00 0.00 0.00 0.00 51.96 52.24 1occ s ALA 3 Cb -0.05 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 1occ s ALA 3 CO -0.06 0.24 1.03 -0.51 0.00 0.00 0.00 175.76 176.47 1occ s LEU 4 N -1.43 3.92 0.42 0.00 2.01 -1.26 -5.02 118.68 117.32 1occ s LEU 4 Ca 0.41 1.93 -0.14 0.00 0.01 0.00 0.00 54.13 56.35 1occ s LEU 4 Cb -0.23 -4.48 -0.08 0.00 0.01 0.00 0.00 46.19 41.42 1occ s LEU 4 CO 0.27 -0.69 0.83 0.00 1.01 0.00 0.00 176.35 177.78 1occ s ALA 5 N -1.93 3.25 -0.10 4.21 0.00 -1.26 -4.98 121.76 120.94 1occ s ALA 5 Ca 0.65 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 1occ s ALA 5 Cb -0.17 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 1occ s ALA 5 CO 0.21 0.01 1.62 0.21 0.00 0.00 0.00 175.76 177.81 1occ s LYS 6 N -3.68 4.08 0.50 0.00 2.20 -1.26 -5.00 119.74 116.58 1occ s LYS 6 Ca 0.55 2.03 -0.04 0.00 -0.36 0.00 0.00 55.97 58.14 1occ s LYS 6 Cb -0.10 -3.99 0.11 0.00 -1.51 0.00 0.00 37.83 32.34 1occ s LYS 6 CO 0.27 -0.95 0.68 -0.35 -0.36 0.00 0.00 175.35 174.63 1occ n PRO 7 N 7.23 -0.22 -2.71 4.03 -0.04 -1.26 -5.02 135.00 137.01 1occ n PRO 7 Ca 0.18 -1.46 -0.42 0.00 -0.04 0.00 0.00 63.50 61.76 1occ n PRO 7 Cb 0.43 -0.57 -0.03 0.00 -0.04 0.00 0.00 33.50 33.30 1occ n PRO 7 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1occ s GLN 8 N -4.31 4.39 -0.01 0.54 -0.44 -1.26 -4.91 119.66 113.66 1occ s GLN 8 Ca 0.42 1.34 0.05 0.00 -2.50 0.00 0.00 55.36 54.66 1occ s GLN 8 Cb -0.02 -3.56 -0.07 0.00 -1.64 0.00 0.00 33.01 27.72 1occ s GLN 8 CO 0.28 -0.36 0.11 -1.33 0.50 0.00 0.00 175.29 174.49 1occ n MET 9 N 5.21 0.52 -4.19 1.67 2.81 -1.26 -4.96 117.12 116.91 1occ n MET 9 Ca 0.09 -0.04 -0.34 0.00 -1.81 0.00 0.00 57.70 55.60 1occ n MET 9 Cb 0.48 -1.08 -0.08 0.00 -0.71 0.00 0.00 33.22 31.83 1occ n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1occ s ARG 10 N -2.25 2.99 -1.22 0.03 0.52 -1.26 -4.60 118.95 113.16 1occ s ARG 10 Ca -0.01 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1occ s ARG 10 Cb 0.03 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1occ s ARG 10 CO 0.19 0.66 0.01 0.41 0.02 0.00 0.00 175.30 176.59 1occ n GLY 11 N 1.50 -0.22 0.33 -3.53 0.00 -1.26 -4.92 105.19 97.09 1occ n GLY 11 Ca -0.15 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1occ n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1occ h LEU 12 N -0.02 0.58 -0.00 0.99 3.38 -1.93 -0.08 115.31 118.22 1occ h LEU 12 Ca -0.34 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1occ h LEU 12 Cb 1.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1occ h LEU 12 CO 0.40 0.40 -0.24 0.25 0.09 0.00 0.00 178.44 179.35 1occ h LEU 13 N 0.68 0.21 -0.21 1.67 5.85 -1.98 -2.76 115.31 118.77 1occ h LEU 13 Ca 0.23 -0.78 0.04 0.00 0.84 0.00 0.00 57.88 58.22 1occ h LEU 13 Cb 0.08 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1occ h LEU 13 CO -0.06 0.96 -0.04 0.00 -0.34 0.00 0.00 178.44 178.96 1occ h ALA 14 N 0.25 0.15 -0.77 1.25 0.00 -1.89 0.12 119.26 118.38 1occ h ALA 14 Ca -0.03 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1occ h ALA 14 Cb 1.00 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 1occ h ALA 14 CO 0.05 -0.47 0.13 0.00 0.00 0.00 0.00 179.25 178.96 1occ h ARG 15 N 0.01 0.19 -0.31 0.00 -0.00 -1.07 -0.05 114.38 113.15 1occ h ARG 15 Ca 0.10 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.53 1occ h ARG 15 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 1occ h ARG 15 CO -0.21 0.13 0.04 -0.09 0.00 0.00 0.00 179.97 179.84 1occ h ARG 16 N 0.20 0.52 0.36 0.04 2.43 -0.96 -2.77 114.38 114.20 1occ h ARG 16 Ca 0.44 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1occ h ARG 16 Cb 0.79 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1occ h ARG 16 CO -0.59 0.62 -0.25 1.25 -1.51 0.00 0.00 179.97 179.49 1occ h LEU 17 N 0.34 -0.65 -0.82 3.80 5.85 0.74 -2.09 115.31 122.48 1occ h LEU 17 Ca 0.09 0.05 0.18 0.00 0.84 0.00 0.00 57.88 59.04 1occ h LEU 17 Cb 0.36 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.48 1occ h LEU 17 CO 0.01 -0.39 0.32 0.03 -0.34 0.00 0.00 178.44 178.07 1occ h ARG 18 N -0.60 0.40 0.45 1.25 3.08 -1.14 0.24 114.38 118.05 1occ h ARG 18 Ca -0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1occ h ARG 18 Cb 0.52 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1occ h ARG 18 CO 0.01 0.26 -0.22 0.35 -1.07 0.00 0.00 179.97 179.31 1occ h PHE 19 N 0.41 -0.56 -0.44 3.04 3.57 -1.33 -3.30 116.94 118.33 1occ h PHE 19 Ca 0.48 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.98 1occ h PHE 19 Cb 0.81 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1occ h PHE 19 CO -0.17 -0.35 0.29 0.45 -2.23 0.00 0.00 178.31 176.30 1occ h HIS 20 N -0.71 0.52 -0.87 0.41 3.86 -1.01 -2.16 115.15 115.19 1occ h HIS 20 Ca -0.06 0.01 0.21 0.00 -1.16 0.00 0.00 60.37 59.37 1occ h HIS 20 Cb 0.46 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.70 1occ h HIS 20 CO 0.08 0.32 0.59 0.97 0.86 0.00 0.00 177.93 180.76 1occ h ILE 21 N 0.56 0.66 0.08 2.45 6.09 -0.61 0.37 117.51 127.11 1occ h ILE 21 Ca 0.17 -0.10 -0.00 0.00 -1.37 0.00 0.00 64.86 63.55 1occ h ILE 21 Cb -0.02 0.34 0.00 0.00 0.47 0.00 0.00 36.82 37.61 1occ h ILE 21 CO -0.04 0.05 -0.04 0.58 -3.07 0.00 0.00 178.15 175.64 1occ h VAL 22 N 0.29 1.18 -0.51 2.19 2.07 -1.49 -2.43 116.25 117.55 1occ h VAL 22 Ca 0.44 -0.99 0.15 0.00 0.82 0.00 0.00 66.70 67.12 1occ h VAL 22 Cb 1.27 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1occ h VAL 22 CO -0.13 0.24 0.37 1.23 0.02 0.00 0.00 177.57 179.30 1occ h GLY 23 N -0.56 0.00 0.92 2.17 0.00 -0.54 0.66 103.07 105.73 1occ h GLY 23 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1occ h GLY 23 CO 0.02 0.00 0.09 0.00 0.00 0.00 0.00 176.54 176.65 1occ h ALA 24 N 1.75 0.49 -0.21 3.60 0.00 0.01 -0.75 119.26 124.14 1occ h ALA 24 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1occ h ALA 24 Cb 0.97 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1occ h ALA 24 CO -0.00 0.17 0.01 0.74 0.00 0.00 0.00 179.25 180.17 1occ h PHE 25 N 0.46 0.39 -0.48 0.00 0.04 -0.50 -0.82 116.94 116.03 1occ h PHE 25 Ca 0.12 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.88 1occ h PHE 25 Cb 0.31 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 1occ h PHE 25 CO 0.02 0.53 0.21 0.52 -0.60 0.00 0.00 178.31 178.99 1occ h MET 26 N 0.14 0.40 0.87 1.51 2.86 -1.03 0.28 114.93 119.96 1occ h MET 26 Ca 0.06 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1occ h MET 26 Cb 0.36 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.94 1occ h MET 26 CO 0.01 0.27 -0.42 0.28 1.06 0.00 0.00 176.91 178.11 1occ h VAL 27 N 0.42 0.02 -0.89 -2.22 2.07 -1.01 -0.25 116.25 114.39 1occ h VAL 27 Ca 0.22 -0.14 0.18 0.00 0.82 0.00 0.00 66.70 67.78 1occ h VAL 27 Cb 0.17 0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 29.90 1occ h VAL 27 CO -0.19 0.00 0.58 0.77 0.02 0.00 0.00 177.57 178.76 1occ h SER 28 N -1.30 0.48 -0.25 0.57 4.64 -0.87 -1.00 113.55 115.82 1occ h SER 28 Ca -0.12 0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.07 1occ h SER 28 Cb 0.90 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1occ h SER 28 CO 0.20 0.21 -0.51 -0.07 -0.87 0.00 0.00 176.83 175.79 1occ h LEU 29 N 0.49 0.91 0.54 5.97 3.38 -0.24 -2.87 115.31 123.50 1occ h LEU 29 Ca 0.46 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1occ h LEU 29 Cb 1.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1occ h LEU 29 CO -0.19 1.25 -0.49 1.23 0.09 0.00 0.00 178.44 180.33 1occ h GLY 30 N 0.79 -1.27 -0.45 0.83 0.00 0.32 0.15 103.07 103.44 1occ h GLY 30 Ca 0.03 0.58 0.29 0.00 0.00 0.00 0.00 47.33 48.22 1occ h GLY 30 CO 0.11 -0.39 0.47 0.74 0.00 0.00 0.00 176.54 177.48 1occ h PHE 31 N -1.02 0.77 0.63 5.60 -1.00 -1.52 0.35 116.94 120.76 1occ h PHE 31 Ca -0.07 0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.72 1occ h PHE 31 Cb 0.87 -0.18 0.01 0.00 3.61 0.00 0.00 35.95 40.25 1occ h PHE 31 CO -0.22 -0.15 -0.31 0.00 -1.61 0.00 0.00 178.31 176.02 1occ h ALA 32 N 1.81 -0.85 -0.86 2.45 0.00 -1.10 -2.33 119.26 118.37 1occ h ALA 32 Ca 0.67 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.40 1occ h ALA 32 Cb 1.45 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 1occ h ALA 32 CO -0.60 -0.84 0.56 1.79 0.00 0.00 0.00 179.25 180.16 1occ h THR 33 N -1.13 1.16 -0.23 0.00 1.35 0.99 -1.67 112.91 113.38 1occ h THR 33 Ca -0.09 -0.38 0.05 0.00 -0.55 0.00 0.00 66.41 65.44 1occ h THR 33 Cb 0.69 -0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.03 1occ h THR 33 CO 0.14 0.20 -0.07 0.15 -0.25 0.00 0.00 175.52 175.70 1occ h PHE 34 N 1.10 -0.15 -0.95 4.73 3.57 -0.43 0.26 116.94 125.07 1occ h PHE 34 Ca 0.34 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.92 1occ h PHE 34 Cb -0.03 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 1occ h PHE 34 CO -0.02 -0.11 0.61 -0.92 -2.23 0.00 0.00 178.31 175.64 1occ h TYR 35 N -0.02 1.13 0.14 0.41 3.20 -0.83 0.58 116.97 121.58 1occ h TYR 35 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1occ h TYR 35 Cb 0.19 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1occ h TYR 35 CO -0.25 0.59 -0.25 -0.22 -1.64 0.00 0.00 178.16 176.39 1occ h LYS 36 N 1.11 -0.40 0.00 1.82 3.64 -0.12 0.18 116.57 122.81 1occ h LYS 36 Ca 0.41 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1occ h LYS 36 Cb 0.15 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1occ h LYS 36 CO -0.17 -0.26 -0.00 0.74 -2.27 0.00 0.00 179.45 177.49 1occ h PHE 37 N -0.41 -0.00 0.00 1.91 0.04 -0.64 0.94 116.94 118.77 1occ h PHE 37 Ca -0.02 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1occ h PHE 37 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1occ h PHE 37 CO -0.27 0.37 0.00 0.00 -0.60 0.00 0.00 178.31 177.81 1occ n ALA 38 N -2.29 1.46 0.11 2.45 0.00 0.20 -3.33 120.51 119.12 1occ n ALA 38 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1occ n ALA 38 Cb 0.20 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1occ n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1occ n VAL 39 N -1.87 0.11 0.17 0.00 0.31 0.51 -4.76 118.33 112.81 1occ n VAL 39 Ca 0.02 0.04 -0.07 0.00 -0.01 0.00 0.00 64.34 64.31 1occ n VAL 39 Cb 0.14 -0.62 -0.04 0.00 -0.91 0.00 0.00 33.84 32.41 1occ n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1occ h ALA 40 N 0.00 -1.05 -0.73 3.52 0.00 0.19 -1.62 119.26 119.56 1occ h ALA 40 Ca 0.00 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 54.97 1occ h ALA 40 Cb 0.02 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 1occ h ALA 40 CO 0.00 -1.03 0.18 1.49 0.00 0.00 0.00 179.25 179.88 1occ h GLU 41 N -0.46 0.26 -0.10 0.00 4.57 -0.16 -0.45 114.58 118.25 1occ h GLU 41 Ca -0.04 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1occ h GLU 41 Cb 0.37 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.84 1occ h GLU 41 CO 0.05 0.17 -0.24 -0.22 -1.18 0.00 0.00 179.01 177.59 1occ h LYS 42 N 0.27 -0.31 -0.91 1.92 3.64 -1.54 -1.78 116.57 117.86 1occ h LYS 42 Ca 0.41 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1occ h LYS 42 Cb 0.70 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1occ h LYS 42 CO -0.51 -0.21 0.54 -0.09 -2.27 0.00 0.00 179.45 176.91 1occ h ARG 43 N -0.32 1.24 -0.96 1.90 2.43 -0.22 0.16 114.38 118.62 1occ h ARG 43 Ca 0.09 -0.12 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 1occ h ARG 43 Cb 0.46 -0.26 -0.08 0.00 -0.42 0.00 0.00 29.97 29.67 1occ h ARG 43 CO -0.28 0.88 0.60 -0.22 -1.51 0.00 0.00 179.97 179.44 1occ h LYS 44 N 1.26 0.73 0.01 0.20 1.63 -0.30 -2.39 116.57 117.71 1occ h LYS 44 Ca 0.33 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.06 1occ h LYS 44 Cb -0.03 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.43 1occ h LYS 44 CO -0.06 0.49 -0.07 -0.22 -3.45 0.00 0.00 179.45 176.14 1occ h LYS 45 N 0.76 0.04 -1.04 1.90 3.64 -0.66 -3.06 116.57 118.15 1occ h LYS 45 Ca 0.50 -0.05 0.29 0.00 -1.27 0.00 0.00 60.65 60.12 1occ h LYS 45 Cb 0.77 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.48 1occ h LYS 45 CO -0.27 0.92 0.63 0.00 -2.27 0.00 0.00 179.45 178.46 1occ h ALA 46 N 0.12 2.03 0.03 5.00 0.00 -0.61 0.19 119.26 126.02 1occ h ALA 46 Ca -0.01 0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1occ h ALA 46 Cb 0.94 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1occ h ALA 46 CO 0.01 -0.54 -1.00 1.88 0.00 0.00 0.00 179.25 179.60 1occ h TYR 47 N 0.42 0.57 -0.16 0.00 -1.99 -1.54 -2.79 116.97 111.49 1occ h TYR 47 Ca 0.67 -0.33 -0.04 0.00 2.00 0.00 0.00 58.73 61.02 1occ h TYR 47 Cb 1.53 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 40.20 1occ h TYR 47 CO -0.01 1.17 -0.07 0.00 -0.00 0.00 0.00 178.16 179.25 1occ h ALA 48 N 0.72 0.22 -0.20 3.88 0.00 -0.65 -2.77 119.26 120.45 1occ h ALA 48 Ca -0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1occ h ALA 48 Cb 1.65 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1occ h ALA 48 CO 0.17 0.02 0.11 -0.44 0.00 0.00 0.00 179.25 179.11 1occ h ASP 49 N 0.00 0.26 0.21 0.00 3.32 -0.89 -2.46 116.42 116.86 1occ h ASP 49 Ca 0.04 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1occ h ASP 49 Cb 0.54 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1occ h ASP 49 CO 0.02 0.27 -0.31 0.15 -1.72 0.00 0.00 179.24 177.65 1occ h PHE 50 N 0.22 -0.88 0.00 4.55 3.57 -1.46 -2.02 116.94 120.92 1occ h PHE 50 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1occ h PHE 50 Cb 0.08 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1occ h PHE 50 CO -0.04 -0.39 0.00 0.66 -2.23 0.00 0.00 178.31 176.32 1occ n TYR 51 N -4.24 0.00 -0.10 0.41 4.01 -1.05 -3.32 117.16 112.87 1occ n TYR 51 Ca -0.06 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.53 1occ n TYR 51 Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.26 1occ n TYR 51 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1occ h ARG 52 N 0.00 0.90 -0.25 -0.72 2.43 -0.86 -3.25 114.38 112.63 1occ h ARG 52 Ca 0.00 -0.53 -0.19 0.00 -0.81 0.00 0.00 59.98 58.45 1occ h ARG 52 Cb 0.00 0.05 -0.18 0.00 -0.42 0.00 0.00 29.97 29.42 1occ h ARG 52 CO 0.00 1.17 -0.66 0.09 -1.51 0.00 0.00 179.97 179.06 1occ n ASN 53 N -4.04 2.64 -4.71 -3.80 5.03 -1.21 -5.05 115.26 104.12 1occ n ASN 53 Ca -0.04 -3.64 -0.41 0.00 0.87 0.00 0.00 54.58 51.36 1occ n ASN 53 Cb 0.59 -0.45 -0.04 0.00 -1.02 0.00 0.00 39.78 38.86 1occ n ASN 53 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1occ s TYR 54 N -3.13 3.60 -0.37 3.10 5.04 -1.23 -5.01 117.35 119.37 1occ s TYR 54 Ca 0.41 1.49 0.04 0.00 -2.44 0.00 0.00 57.07 56.56 1occ s TYR 54 Cb 0.38 -2.99 0.10 0.00 0.35 0.00 0.00 41.96 39.81 1occ s TYR 54 CO -0.04 0.01 0.08 0.34 -1.34 0.00 0.00 175.55 174.60 1occ s ASP 55 N 0.94 4.74 0.27 4.32 2.15 -1.26 -4.99 116.67 122.84 1occ s ASP 55 Ca 0.45 -2.26 -0.01 0.00 0.43 0.00 0.00 52.55 51.15 1occ s ASP 55 Cb -0.19 -1.64 0.45 0.00 -0.30 0.00 0.00 42.92 41.24 1occ s ASP 55 CO 0.23 -0.37 1.87 0.77 -0.17 0.00 0.00 175.17 177.49 1occ h SER 56 N 7.49 1.00 -0.35 -0.34 4.64 -1.99 -1.05 113.55 122.95 1occ h SER 56 Ca -0.05 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1occ h SER 56 Cb 1.00 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1occ h SER 56 CO 0.55 0.60 0.16 -0.03 -0.87 0.00 0.00 176.83 177.24 1occ h MET 57 N 1.11 0.51 -0.57 4.77 -1.53 -1.98 0.35 114.93 117.60 1occ h MET 57 Ca 0.45 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.64 1occ h MET 57 Cb 0.27 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.21 1occ h MET 57 CO -0.20 0.48 0.37 -0.22 0.14 0.00 0.00 176.91 177.47 1occ h LYS 58 N 0.43 0.75 -0.61 0.39 3.64 -1.83 0.24 116.57 119.58 1occ h LYS 58 Ca 0.12 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1occ h LYS 58 Cb 0.14 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1occ h LYS 58 CO -0.01 0.51 0.40 0.22 -2.27 0.00 0.00 179.45 178.29 1occ h ASP 59 N 0.77 0.69 -0.14 4.20 3.58 -0.84 -0.84 116.42 123.82 1occ h ASP 59 Ca 0.21 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1occ h ASP 59 Cb -0.07 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1occ h ASP 59 CO -0.04 0.50 0.09 0.15 -2.88 0.00 0.00 179.24 177.06 1occ h PHE 60 N 0.81 0.18 -0.14 0.28 3.57 0.65 -1.79 116.94 120.51 1occ h PHE 60 Ca 0.23 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.77 1occ h PHE 60 Cb -0.08 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1occ h PHE 60 CO -0.03 0.12 -0.16 0.93 -2.23 0.00 0.00 178.31 176.94 1occ h GLU 61 N 0.19 -0.19 -0.82 1.11 4.39 0.07 0.54 114.58 119.87 1occ h GLU 61 Ca 0.05 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.89 1occ h GLU 61 Cb -0.01 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.60 1occ h GLU 61 CO -0.01 -0.13 0.42 0.93 -1.16 0.00 0.00 179.01 179.06 1occ h GLU 62 N -0.20 0.63 -0.39 2.33 5.08 -1.00 0.16 114.58 121.19 1occ h GLU 62 Ca 0.10 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1occ h GLU 62 Cb 0.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1occ h GLU 62 CO -0.25 0.42 -0.31 0.52 -1.00 0.00 0.00 179.01 178.39 1occ h MET 63 N 0.65 0.90 -0.37 2.33 2.86 -0.41 -2.54 114.93 118.34 1occ h MET 63 Ca 0.43 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1occ h MET 63 Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1occ h MET 63 CO -0.32 1.09 0.23 -0.09 1.06 0.00 0.00 176.91 178.88 1occ h ARG 64 N 0.71 0.45 0.00 1.72 2.43 0.15 -2.17 114.38 117.67 1occ h ARG 64 Ca 0.07 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1occ h ARG 64 Cb 0.89 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1occ h ARG 64 CO 0.08 0.30 -0.15 0.87 -1.51 0.00 0.00 179.97 179.55 1occ h LYS 65 N 0.46 0.00 0.00 0.20 1.57 -0.69 -2.25 116.57 115.86 1occ h LYS 65 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1occ h LYS 65 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1occ h LYS 65 CO -0.06 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 178.98 1occ n ALA 66 N -2.46 2.45 -1.18 3.86 0.00 -0.83 -4.93 120.51 117.42 1occ n ALA 66 Ca -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 1occ n ALA 66 Cb 0.23 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 1occ n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1occ n GLY 67 N 1.33 0.57 0.18 0.00 0.00 -0.85 -4.97 105.19 101.45 1occ n GLY 67 Ca 0.13 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1occ n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1occ h ILE 68 N 0.00 1.36 -4.21 -0.61 3.07 -1.78 -3.46 117.51 111.88 1occ h ILE 68 Ca -0.06 -2.13 -0.48 0.00 1.55 0.00 0.00 64.86 63.74 1occ h ILE 68 Cb 0.27 2.11 0.04 0.00 -0.27 0.00 0.00 36.82 38.97 1occ h ILE 68 CO 0.09 0.65 0.38 -0.36 -1.05 0.00 0.00 178.15 177.85 1occ s PHE 69 N -3.62 3.31 -0.85 0.16 0.08 -1.26 -4.99 117.98 110.80 1occ s PHE 69 Ca -0.07 1.47 0.10 0.00 0.12 0.00 0.00 56.93 58.55 1occ s PHE 69 Cb 0.10 -2.86 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1occ s PHE 69 CO 0.85 -0.66 0.60 0.00 -0.10 0.00 0.00 175.22 175.92 1occ n GLN 70 N -1.85 2.31 -0.00 0.44 10.64 -1.26 -4.49 117.38 123.17 1occ n GLN 70 Ca 0.07 -0.53 0.09 0.00 -1.83 0.00 0.00 57.00 54.81 1occ n GLN 70 Cb 0.54 -1.06 -0.12 0.00 -0.86 0.00 0.00 30.24 28.73 1occ n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1occ n SER 71 N -0.37 0.77 -3.35 2.61 3.41 -1.26 -4.86 113.62 110.57 1occ n SER 71 Ca 0.04 -0.62 -0.11 0.00 -0.26 0.00 0.00 58.87 57.92 1occ n SER 71 Cb 0.20 1.31 -0.08 0.00 -0.26 0.00 0.00 64.21 65.38 1occ n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1occ s ALA 72 N -2.99 -1.00 -2.90 7.33 0.00 -1.26 -5.27 121.76 115.67 1occ s ALA 72 Ca 0.02 0.47 0.25 0.00 0.00 0.00 0.00 51.96 52.70 1occ s ALA 72 Cb 0.14 -1.81 0.36 0.00 0.00 0.00 0.00 23.12 21.81 1occ s ALA 72 CO 0.79 -1.49 1.36 1.63 0.00 0.00 0.00 175.76 178.05