#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 -0.01 0.44 -1.32 -1.26 -5.12 115.64 108.33 2occ s THR 2 Ca 0.00 0.14 -0.30 0.00 -1.21 0.00 0.00 61.69 60.32 2occ s THR 2 Cb 0.00 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 2occ s THR 2 CO 0.00 0.06 1.13 0.00 -2.21 0.00 0.00 174.62 173.60 2occ s ALA 3 N 1.06 3.37 0.32 11.08 0.00 -1.26 -4.99 121.76 131.35 2occ s ALA 3 Ca -0.08 0.66 -0.28 0.00 0.00 0.00 0.00 51.96 52.26 2occ s ALA 3 Cb -0.10 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 2occ s ALA 3 CO -0.06 -0.50 1.12 -0.51 0.00 0.00 0.00 175.76 175.80 2occ s LEU 4 N 1.50 4.41 0.70 0.00 2.01 -1.26 -5.01 118.68 121.04 2occ s LEU 4 Ca 0.55 2.27 -0.11 0.00 0.01 0.00 0.00 54.13 56.85 2occ s LEU 4 Cb -0.25 -3.79 0.01 0.00 0.01 0.00 0.00 46.19 42.18 2occ s LEU 4 CO 0.25 -0.32 1.07 0.00 1.01 0.00 0.00 176.35 178.36 2occ s ALA 5 N -1.29 2.58 -0.07 4.21 0.00 -1.26 -4.96 121.76 120.97 2occ s ALA 5 Ca 0.49 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 2occ s ALA 5 Cb -0.31 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2occ s ALA 5 CO 0.39 -1.31 1.34 0.21 0.00 0.00 0.00 175.76 176.39 2occ s LYS 6 N -4.89 4.27 0.87 0.00 2.20 -1.26 -5.02 119.74 115.91 2occ s LYS 6 Ca 0.60 1.83 -0.09 0.00 -0.36 0.00 0.00 55.97 57.94 2occ s LYS 6 Cb -0.15 -3.68 0.18 0.00 -1.51 0.00 0.00 37.83 32.67 2occ s LYS 6 CO 0.53 -0.62 1.20 -1.25 -0.36 0.00 0.00 175.35 174.85 2occ s PRO 7 N 2.92 0.94 -0.01 4.03 0.04 -1.26 -5.02 135.00 136.64 2occ s PRO 7 Ca 0.60 -0.83 -0.30 0.00 0.04 0.00 0.00 61.00 60.52 2occ s PRO 7 Cb -0.27 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 2occ s PRO 7 CO 0.22 -2.09 1.02 -1.14 0.04 0.00 0.00 177.00 175.06 2occ s GLN 8 N -5.59 4.51 0.00 4.56 -0.44 -1.26 -4.94 119.66 116.50 2occ s GLN 8 Ca 0.72 1.48 0.00 0.00 -2.50 0.00 0.00 55.36 55.06 2occ s GLN 8 Cb -0.03 -3.46 0.00 0.00 -1.64 0.00 0.00 33.01 27.88 2occ s GLN 8 CO 0.50 -0.13 0.00 -1.33 0.50 0.00 0.00 175.29 174.82 2occ n MET 9 N 4.12 5.71 -4.33 1.67 2.81 -1.26 -5.00 117.12 120.84 2occ n MET 9 Ca 0.07 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.66 2occ n MET 9 Cb 0.50 -0.54 -0.10 0.00 -0.71 0.00 0.00 33.22 32.37 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 -1.07 2.22 -1.20 0.03 0.52 -1.26 -4.68 118.95 113.51 2occ s ARG 10 Ca 0.00 -0.95 -0.07 0.00 -0.52 0.00 0.00 55.73 54.19 2occ s ARG 10 Cb 0.00 -2.34 0.01 0.00 0.52 0.00 0.00 34.95 33.14 2occ s ARG 10 CO 0.00 0.53 1.05 0.41 0.02 0.00 0.00 175.30 177.31 2occ n GLY 11 N 1.00 -0.38 0.13 -3.53 0.00 -1.26 -4.92 105.19 96.23 2occ n GLY 11 Ca -0.14 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.36 0.15 0.00 0.99 3.38 -1.95 -0.66 115.31 114.86 2occ h LEU 12 Ca -0.51 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.23 2occ h LEU 12 Cb 1.33 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.04 2occ h LEU 12 CO 0.49 0.83 -0.47 0.25 0.09 0.00 0.00 178.44 179.64 2occ h LEU 13 N 0.08 0.41 -0.73 1.67 5.85 -1.98 -1.91 115.31 118.70 2occ h LEU 13 Ca -0.02 -0.77 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 2occ h LEU 13 Cb 1.30 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 2occ h LEU 13 CO 0.11 1.13 0.42 0.00 -0.34 0.00 0.00 178.44 179.76 2occ h ALA 14 N 0.29 0.94 -0.84 1.25 0.00 -1.96 -0.18 119.26 118.76 2occ h ALA 14 Ca -0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2occ h ALA 14 Cb 1.20 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2occ h ALA 14 CO 0.09 0.43 0.48 -0.09 0.00 0.00 0.00 179.25 180.16 2occ h ARG 15 N 1.01 1.16 -0.43 0.00 2.43 -1.15 -1.67 114.38 115.74 2occ h ARG 15 Ca 0.26 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2occ h ARG 15 Cb -0.00 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 2occ h ARG 15 CO -0.05 0.84 -0.07 -0.09 -1.51 0.00 0.00 179.97 179.09 2occ h ARG 16 N 1.17 0.73 0.31 0.20 2.43 -0.41 -3.20 114.38 115.60 2occ h ARG 16 Ca 0.30 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2occ h ARG 16 Cb -0.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2occ h ARG 16 CO -0.05 0.79 -0.15 1.25 -1.51 0.00 0.00 179.97 180.30 2occ h LEU 17 N 0.67 -0.36 -1.20 3.80 5.85 -0.39 -2.90 115.31 120.78 2occ h LEU 17 Ca 0.12 -0.15 0.30 0.00 0.84 0.00 0.00 57.88 58.99 2occ h LEU 17 Cb 0.52 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 41.52 2occ h LEU 17 CO 0.03 -0.04 0.66 0.03 -0.34 0.00 0.00 178.44 178.78 2occ h ARG 18 N -0.70 0.37 0.08 1.25 -0.00 -1.36 0.13 114.38 114.15 2occ h ARG 18 Ca -0.04 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.41 2occ h ARG 18 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.37 2occ h ARG 18 CO 0.07 0.25 -0.04 0.35 0.00 0.00 0.00 179.97 180.60 2occ h PHE 19 N 0.38 -0.10 -0.48 3.04 3.04 -1.55 -3.34 116.94 117.93 2occ h PHE 19 Ca 0.67 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.73 2occ h PHE 19 Cb 1.62 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 40.14 2occ h PHE 19 CO -0.01 -0.06 0.34 0.45 -2.02 0.00 0.00 178.31 177.01 2occ h HIS 20 N -0.18 0.14 -0.16 0.41 3.86 -1.24 -0.96 115.15 117.04 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 0.08 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2occ h HIS 20 CO 0.11 0.07 0.13 0.97 0.86 0.00 0.00 177.93 180.06 2occ h ILE 21 N 0.13 0.78 0.01 2.45 6.09 -0.87 0.68 117.51 126.78 2occ h ILE 21 Ca 0.23 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.72 2occ h ILE 21 Cb 0.73 0.91 0.00 0.00 0.47 0.00 0.00 36.82 38.93 2occ h ILE 21 CO -0.03 0.00 -0.01 0.58 -3.07 0.00 0.00 178.15 175.62 2occ h VAL 22 N 0.00 1.51 -0.04 2.19 2.07 -1.29 -2.70 116.25 117.99 2occ h VAL 22 Ca 0.08 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 65.94 2occ h VAL 22 Cb 0.33 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2occ h VAL 22 CO -0.00 0.42 0.05 1.23 0.02 0.00 0.00 177.57 179.29 2occ h GLY 23 N -0.75 0.00 0.92 2.17 0.00 -0.72 -0.10 103.07 104.59 2occ h GLY 23 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2occ h GLY 23 CO 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.23 2occ h ALA 24 N 1.93 0.34 -0.55 3.60 0.00 0.36 -1.95 119.26 122.99 2occ h ALA 24 Ca 0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2occ h ALA 24 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2occ h ALA 24 CO -0.00 0.37 0.02 0.74 0.00 0.00 0.00 179.25 180.38 2occ h PHE 25 N 0.31 1.01 0.66 0.00 0.04 -0.75 -1.99 116.94 116.21 2occ h PHE 25 Ca 0.03 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 2occ h PHE 25 Cb 0.89 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.78 2occ h PHE 25 CO 0.08 0.90 -0.33 0.52 -0.60 0.00 0.00 178.31 178.88 2occ h MET 26 N 0.87 -0.87 -0.62 1.51 2.86 -1.07 -0.21 114.93 117.39 2occ h MET 26 Ca 0.16 0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2occ h MET 26 Cb 0.49 0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.30 2occ h MET 26 CO 0.02 -0.58 0.37 0.28 1.06 0.00 0.00 176.91 178.06 2occ h VAL 27 N -0.90 1.03 -0.26 -2.22 2.07 -1.35 -0.87 116.25 113.75 2occ h VAL 27 Ca -0.09 -0.24 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 2occ h VAL 27 Cb 0.70 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2occ h VAL 27 CO 0.14 0.13 -0.47 0.77 0.02 0.00 0.00 177.57 178.16 2occ h SER 28 N 0.71 0.73 1.25 0.57 4.64 -1.26 -2.55 113.55 117.64 2occ h SER 28 Ca 0.26 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2occ h SER 28 Cb 0.08 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2occ h SER 28 CO -0.13 1.09 0.00 -0.07 -0.87 0.00 0.00 176.83 176.85 2occ h LEU 29 N 0.54 0.00 0.08 5.97 3.38 -0.87 -2.79 115.31 121.62 2occ h LEU 29 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2occ h LEU 29 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2occ h LEU 29 CO 0.10 0.00 -0.04 1.23 0.09 0.00 0.00 178.44 179.82 2occ h GLY 30 N 2.58 -0.11 1.24 0.83 0.00 -0.81 -0.99 103.07 105.82 2occ h GLY 30 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.39 2occ h GLY 30 CO 0.00 -0.04 0.47 0.74 0.00 0.00 0.00 176.54 177.71 2occ h PHE 31 N -0.55 0.87 0.14 5.60 -1.00 -1.38 0.12 116.94 120.74 2occ h PHE 31 Ca -0.01 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2occ h PHE 31 Cb 0.47 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.73 2occ h PHE 31 CO 0.07 0.53 -0.07 0.00 -1.61 0.00 0.00 178.31 177.23 2occ h ALA 32 N 1.57 -0.18 0.00 2.45 0.00 -1.45 -1.98 119.26 119.66 2occ h ALA 32 Ca 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2occ h ALA 32 Cb -0.03 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2occ h ALA 32 CO -0.07 -0.35 -0.13 1.79 0.00 0.00 0.00 179.25 180.49 2occ h THR 33 N -0.69 0.60 -0.26 0.00 1.35 -0.97 -0.28 112.91 112.67 2occ h THR 33 Ca -0.02 -0.59 -0.16 0.00 -0.55 0.00 0.00 66.41 65.09 2occ h THR 33 Cb 0.51 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2occ h THR 33 CO 0.03 0.13 -0.46 0.15 -0.25 0.00 0.00 175.52 175.12 2occ h PHE 34 N 0.00 0.96 -0.66 4.73 3.04 -0.71 -2.56 116.94 121.74 2occ h PHE 34 Ca -0.00 -0.34 -0.07 0.00 3.98 0.00 0.00 57.97 61.54 2occ h PHE 34 Cb 0.37 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 2occ h PHE 34 CO 0.00 1.14 0.13 -0.92 -2.02 0.00 0.00 178.31 176.64 2occ h TYR 35 N 0.51 1.13 0.13 0.41 3.20 -0.52 -0.76 116.97 121.06 2occ h TYR 35 Ca 0.01 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 61.76 2occ h TYR 35 Cb 1.07 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 2occ h TYR 35 CO 0.08 0.94 -0.28 -0.22 -1.64 0.00 0.00 178.16 177.04 2occ h LYS 36 N 0.99 -0.48 0.20 1.82 3.64 -1.01 -1.18 116.57 120.55 2occ h LYS 36 Ca 0.20 0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.29 2occ h LYS 36 Cb 0.40 0.11 0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2occ h LYS 36 CO 0.01 -0.32 -1.38 0.74 -2.27 0.00 0.00 179.45 176.23 2occ h PHE 37 N -0.50 0.97 0.00 1.91 0.04 -1.42 0.61 116.94 118.56 2occ h PHE 37 Ca 0.03 -0.67 0.00 0.00 2.80 0.00 0.00 57.97 60.13 2occ h PHE 37 Cb 0.52 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2occ h PHE 37 CO -0.25 1.51 0.00 0.00 -0.60 0.00 0.00 178.31 178.98 2occ n ALA 38 N -2.69 2.14 0.08 2.45 0.00 -0.30 -3.72 120.51 118.47 2occ n ALA 38 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2occ n ALA 38 Cb 1.06 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2occ n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2occ n VAL 39 N -2.20 0.35 0.14 0.00 0.31 -0.54 -4.72 118.33 111.67 2occ n VAL 39 Ca 0.05 0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.36 2occ n VAL 39 Cb 0.38 -0.92 -0.08 0.00 -0.91 0.00 0.00 33.84 32.31 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 -0.29 -0.26 3.52 0.00 -0.01 -1.96 119.26 120.26 2occ h ALA 40 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2occ h ALA 40 Cb 0.11 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2occ h ALA 40 CO 0.00 -0.64 -0.25 0.93 0.00 0.00 0.00 179.25 179.29 2occ h GLU 41 N -0.34 0.50 -0.58 0.00 4.39 -0.03 -2.39 114.58 116.14 2occ h GLU 41 Ca -0.03 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.49 2occ h GLU 41 Cb 0.26 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2occ h GLU 41 CO 0.05 0.71 0.38 -0.22 -1.16 0.00 0.00 179.01 178.77 2occ h LYS 42 N 0.44 0.76 -0.33 2.33 3.64 -1.61 -2.59 116.57 119.21 2occ h LYS 42 Ca 0.06 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 2occ h LYS 42 Cb 0.67 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2occ h LYS 42 CO 0.05 0.50 -0.29 -0.09 -2.27 0.00 0.00 179.45 177.35 2occ h ARG 43 N 0.78 0.69 -0.46 1.90 2.43 -1.10 0.69 114.38 119.32 2occ h ARG 43 Ca 0.21 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2occ h ARG 43 Cb -0.09 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2occ h ARG 43 CO -0.05 0.90 0.08 0.87 -1.51 0.00 0.00 179.97 180.27 2occ h LYS 44 N 0.59 0.71 -0.09 0.20 1.57 -1.30 -2.08 116.57 116.17 2occ h LYS 44 Ca 0.07 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2occ h LYS 44 Cb 0.79 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2occ h LYS 44 CO 0.07 0.67 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.11 2occ h LYS 45 N 0.68 0.35 -0.93 3.15 3.64 -1.19 -2.00 116.57 120.27 2occ h LYS 45 Ca 0.15 -0.25 0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2occ h LYS 45 Cb 0.30 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 2occ h LYS 45 CO 0.00 0.87 0.59 0.00 -2.27 0.00 0.00 179.45 178.65 2occ h ALA 46 N 0.47 1.61 0.03 5.00 0.00 -0.52 0.33 119.26 126.18 2occ h ALA 46 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 2occ h ALA 46 Cb 0.90 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.50 2occ h ALA 46 CO 0.06 0.19 -0.92 1.88 0.00 0.00 0.00 179.25 180.46 2occ h TYR 47 N 0.91 0.87 -0.54 0.00 -1.99 -1.42 -2.37 116.97 112.43 2occ h TYR 47 Ca 0.44 -0.49 -0.06 0.00 2.00 0.00 0.00 58.73 60.61 2occ h TYR 47 Cb 0.44 -0.09 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 2occ h TYR 47 CO -0.00 1.33 0.09 0.00 -0.00 0.00 0.00 178.16 179.58 2occ h ALA 48 N 0.33 1.15 0.08 3.88 0.00 -0.53 -2.30 119.26 121.87 2occ h ALA 48 Ca -0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2occ h ALA 48 Cb 1.61 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2occ h ALA 48 CO 0.18 0.57 -0.04 -0.44 0.00 0.00 0.00 179.25 179.52 2occ h ASP 49 N 0.81 -0.09 0.00 0.00 5.19 -0.46 -3.08 116.42 118.78 2occ h ASP 49 Ca 0.17 -0.38 0.03 0.00 -0.62 0.00 0.00 57.03 56.23 2occ h ASP 49 Cb 0.36 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.84 2occ h ASP 49 CO 0.01 0.35 -0.36 0.15 -3.12 0.00 0.00 179.24 176.27 2occ h PHE 50 N -0.57 -1.01 0.00 4.55 3.04 -1.27 -2.56 116.94 119.13 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 0.47 0.44 0.00 0.00 2.56 0.00 0.00 35.95 39.42 2occ h PHE 50 CO 0.07 -0.45 0.00 0.66 -2.02 0.00 0.00 178.31 176.57 2occ n TYR 51 N -5.43 0.00 0.00 0.41 4.01 -0.88 -3.58 117.16 111.69 2occ n TYR 51 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.58 2occ n TYR 51 Cb 0.35 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.11 -0.87 -0.72 2.43 -1.36 -3.33 114.38 110.42 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 29.29 2occ h ARG 52 CO 0.00 0.42 0.37 0.09 -1.51 0.00 0.00 179.97 179.34 2occ n ASN 53 N -4.82 5.99 -4.85 -3.80 3.02 -1.25 -4.99 115.26 104.56 2occ n ASN 53 Ca -0.07 -3.76 -0.37 0.00 -0.03 0.00 0.00 54.58 50.34 2occ n ASN 53 Cb 0.29 -0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 38.61 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 -3.65 3.68 -0.21 3.10 5.04 -1.23 -5.07 117.35 119.02 2occ s TYR 54 Ca 0.59 0.85 -0.01 0.00 -2.44 0.00 0.00 57.07 56.06 2occ s TYR 54 Cb 0.47 -2.18 0.06 0.00 0.35 0.00 0.00 41.96 40.66 2occ s TYR 54 CO 0.02 0.66 -0.01 0.34 -1.34 0.00 0.00 175.55 175.21 2occ s ASP 55 N -1.15 3.31 0.37 4.32 -1.08 -1.26 -5.02 116.67 116.17 2occ s ASP 55 Ca 0.22 -0.96 0.08 0.00 -0.52 0.00 0.00 52.55 51.37 2occ s ASP 55 Cb -0.15 -0.87 0.73 0.00 -1.46 0.00 0.00 42.92 41.16 2occ s ASP 55 CO 0.12 -0.27 1.90 0.77 0.52 0.00 0.00 175.17 178.21 2occ h SER 56 N 8.11 0.31 -0.14 -0.34 4.64 -1.98 -1.56 113.55 122.58 2occ h SER 56 Ca -0.17 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 2occ h SER 56 Cb 1.10 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2occ h SER 56 CO 0.37 0.44 -0.08 0.24 -0.87 0.00 0.00 176.83 176.93 2occ h MET 57 N 0.31 0.29 -0.41 4.77 2.86 -1.98 0.11 114.93 120.89 2occ h MET 57 Ca 0.06 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2occ h MET 57 Cb 0.36 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2occ h MET 57 CO 0.02 0.64 0.15 -0.22 1.06 0.00 0.00 176.91 178.56 2occ h LYS 58 N -0.05 0.31 -0.46 1.72 3.64 -1.94 0.73 116.57 120.52 2occ h LYS 58 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2occ h LYS 58 Cb 0.56 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2occ h LYS 58 CO 0.02 0.20 0.24 0.22 -2.27 0.00 0.00 179.45 177.87 2occ h ASP 59 N 0.32 0.58 -0.29 4.20 3.58 -1.23 -1.72 116.42 121.85 2occ h ASP 59 Ca 0.19 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2occ h ASP 59 Cb 0.16 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2occ h ASP 59 CO -0.18 0.51 0.19 0.15 -2.88 0.00 0.00 179.24 177.03 2occ h PHE 60 N 0.60 0.37 -0.20 0.28 3.57 -0.03 -1.91 116.94 119.62 2occ h PHE 60 Ca 0.16 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 2occ h PHE 60 Cb 0.07 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 2occ h PHE 60 CO -0.02 0.24 -0.06 0.93 -2.23 0.00 0.00 178.31 177.17 2occ h GLU 61 N 0.39 -0.02 -0.91 1.11 4.39 -0.55 0.69 114.58 119.68 2occ h GLU 61 Ca 0.11 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.88 2occ h GLU 61 Cb -0.03 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.56 2occ h GLU 61 CO -0.02 -0.01 0.59 0.93 -1.16 0.00 0.00 179.01 179.34 2occ h GLU 62 N -0.02 0.97 -0.23 2.33 5.08 -1.18 0.69 114.58 122.23 2occ h GLU 62 Ca 0.10 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 2occ h GLU 62 Cb 0.17 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2occ h GLU 62 CO -0.21 0.64 -0.35 0.52 -1.00 0.00 0.00 179.01 178.61 2occ h MET 63 N 1.00 0.64 0.22 2.33 2.86 -0.43 -2.77 114.93 118.79 2occ h MET 63 Ca 0.40 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2occ h MET 63 Cb 0.25 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2occ h MET 63 CO -0.16 1.00 -0.11 -0.09 1.06 0.00 0.00 176.91 178.61 2occ h ARG 64 N 0.34 -0.29 -0.09 1.72 2.43 0.12 -2.61 114.38 116.01 2occ h ARG 64 Ca 0.02 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2occ h ARG 64 Cb 0.94 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2occ h ARG 64 CO 0.08 -0.18 0.09 -0.22 -1.51 0.00 0.00 179.97 178.23 2occ h LYS 65 N -0.31 0.00 -0.00 0.20 3.64 -0.93 -0.34 116.57 118.83 2occ h LYS 65 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2occ h LYS 65 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2occ h LYS 65 CO 0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 179.45 177.19 2occ n ALA 66 N -2.34 2.65 -1.65 5.00 0.00 -0.99 -4.93 120.51 118.25 2occ n ALA 66 Ca -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 2occ n ALA 66 Cb 0.19 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 1.19 0.49 0.15 0.00 0.00 -0.14 -4.96 105.19 101.92 2occ n GLY 67 Ca 0.18 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 1.31 -4.16 -0.61 3.07 -1.74 -3.47 117.51 111.91 2occ h ILE 68 Ca -0.14 -2.62 -0.51 0.00 1.55 0.00 0.00 64.86 63.14 2occ h ILE 68 Cb 0.77 3.00 0.10 0.00 -0.27 0.00 0.00 36.82 40.41 2occ h ILE 68 CO 0.19 0.78 0.39 -0.36 -1.05 0.00 0.00 178.15 178.11 2occ s PHE 69 N -2.66 2.58 -1.55 0.16 0.08 -1.26 -4.97 117.98 110.35 2occ s PHE 69 Ca -0.10 1.55 0.12 0.00 0.12 0.00 0.00 56.93 58.63 2occ s PHE 69 Cb 0.04 -3.24 0.10 0.00 -0.57 0.00 0.00 43.02 39.35 2occ s PHE 69 CO 0.93 -1.75 0.90 0.00 -0.10 0.00 0.00 175.22 175.19 2occ n GLN 70 N -2.12 0.75 0.00 0.44 10.64 -1.26 -4.46 117.38 121.36 2occ n GLN 70 Ca 0.11 -1.25 0.00 0.00 -1.83 0.00 0.00 57.00 54.03 2occ n GLN 70 Cb 0.51 -1.24 0.00 0.00 -0.86 0.00 0.00 30.24 28.66 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 0.70 1.73 -3.19 2.61 3.41 -1.26 -4.88 113.62 112.73 2occ n SER 71 Ca 0.07 -1.76 0.02 0.00 -0.26 0.00 0.00 58.87 56.93 2occ n SER 71 Cb 0.31 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.76 -2.42 -2.56 7.33 0.00 -1.26 -5.25 121.76 116.84 2occ s ALA 72 Ca 0.00 0.42 0.27 0.00 0.00 0.00 0.00 51.96 52.65 2occ s ALA 72 Cb 0.00 -2.70 0.94 0.00 0.00 0.00 0.00 23.12 21.36 2occ s ALA 72 CO 0.00 -2.14 1.68 1.63 0.00 0.00 0.00 175.76 176.93