#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm s LEU 4 N 0.00 4.38 0.52 0.00 1.43 -1.26 -5.05 118.68 118.70 3abm s LEU 4 Ca 0.00 1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 54.22 3abm s LEU 4 Cb 0.00 -3.40 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 3abm s LEU 4 CO 0.00 0.09 1.09 0.00 0.23 0.00 0.00 176.35 177.76 3abm s ALA 5 N -1.44 2.76 -0.04 4.21 0.00 -1.26 -4.98 121.76 121.02 3abm s ALA 5 Ca 0.39 0.74 -0.31 0.00 0.00 0.00 0.00 51.96 52.78 3abm s ALA 5 Cb -0.17 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 3abm s ALA 5 CO 0.21 -0.59 1.97 1.17 0.00 0.00 0.00 175.76 178.52 3abm n LYS 6 N -1.18 2.52 -2.21 0.00 4.81 -1.26 -5.02 118.16 115.83 3abm n LYS 6 Ca 0.11 0.91 -0.27 0.00 -0.87 0.00 0.00 58.31 58.18 3abm n LYS 6 Cb 0.52 -2.90 0.05 0.00 0.02 0.00 0.00 35.03 32.72 3abm n LYS 6 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3abm s PRO 7 N 4.56 2.62 0.31 1.64 0.04 -1.26 -5.03 135.00 137.87 3abm s PRO 7 Ca 0.92 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 3abm s PRO 7 Cb -0.52 -2.17 -0.11 0.00 0.04 0.00 0.00 34.50 31.74 3abm s PRO 7 CO 0.45 -0.99 1.55 -1.14 0.04 0.00 0.00 177.00 176.91 3abm s GLN 8 N -5.18 4.14 0.00 4.56 -0.44 -1.26 -4.93 119.66 116.55 3abm s GLN 8 Ca 0.57 2.54 0.00 0.00 -2.50 0.00 0.00 55.36 55.97 3abm s GLN 8 Cb -0.11 -3.02 0.00 0.00 -1.64 0.00 0.00 33.01 28.24 3abm s GLN 8 CO 0.47 -0.58 0.02 -1.33 0.50 0.00 0.00 175.29 174.37 3abm n MET 9 N 1.79 4.38 -4.37 1.67 2.81 -1.26 -5.04 117.12 117.11 3abm n MET 9 Ca 0.06 -0.02 -0.29 0.00 -1.81 0.00 0.00 57.70 55.64 3abm n MET 9 Cb 0.38 -0.37 -0.13 0.00 -0.71 0.00 0.00 33.22 32.40 3abm n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3abm s ARG 10 N -0.63 1.51 -1.47 0.03 0.52 -1.26 -4.74 118.95 112.91 3abm s ARG 10 Ca 0.00 -1.30 -0.07 0.00 -0.52 0.00 0.00 55.73 53.84 3abm s ARG 10 Cb 0.00 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.54 3abm s ARG 10 CO 0.00 0.46 0.62 0.41 0.02 0.00 0.00 175.30 176.81 3abm n GLY 11 N 0.87 -0.51 0.21 -3.53 0.00 -1.26 -4.91 105.19 96.06 3abm n GLY 11 Ca -0.17 0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3abm n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3abm h LEU 12 N -1.38 0.15 -0.16 0.99 3.38 -1.96 -0.96 115.31 115.37 3abm h LEU 12 Ca -0.51 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.28 3abm h LEU 12 Cb 1.34 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3abm h LEU 12 CO 0.56 0.45 -0.43 0.25 0.09 0.00 0.00 178.44 179.36 3abm h LEU 13 N 0.14 0.66 -0.52 1.67 5.85 -1.99 -2.50 115.31 118.62 3abm h LEU 13 Ca 0.02 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 3abm h LEU 13 Cb 0.59 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3abm h LEU 13 CO 0.04 1.12 0.16 0.00 -0.34 0.00 0.00 178.44 179.42 3abm h ALA 14 N 0.56 0.68 -0.28 1.25 0.00 -1.92 -1.05 119.26 118.50 3abm h ALA 14 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3abm h ALA 14 Cb 1.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3abm h ALA 14 CO 0.09 0.34 0.01 -0.09 0.00 0.00 0.00 179.25 179.61 3abm h ARG 15 N 0.71 0.09 -0.67 0.00 1.12 -1.21 -1.21 114.38 113.22 3abm h ARG 15 Ca 0.17 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 59.00 3abm h ARG 15 Cb 0.28 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.19 3abm h ARG 15 CO -0.00 0.06 0.28 -0.09 -3.11 0.00 0.00 179.97 177.11 3abm h ARG 16 N 0.10 0.97 -0.19 0.20 2.43 -1.01 -2.11 114.38 114.76 3abm h ARG 16 Ca 0.14 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3abm h ARG 16 Cb 0.17 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3abm h ARG 16 CO -0.22 0.77 0.11 1.25 -1.51 0.00 0.00 179.97 180.37 3abm h LEU 17 N 0.95 0.24 0.21 3.80 5.85 -0.16 -2.07 115.31 124.14 3abm h LEU 17 Ca 0.23 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3abm h LEU 17 Cb 0.16 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3abm h LEU 17 CO -0.02 0.26 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.15 3abm h ARG 18 N 0.21 -0.27 -0.99 1.25 2.43 -1.10 -1.07 114.38 114.84 3abm h ARG 18 Ca 0.07 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.56 3abm h ARG 18 Cb 0.07 0.06 -0.18 0.00 -0.42 0.00 0.00 29.97 29.50 3abm h ARG 18 CO -0.01 0.11 0.16 0.35 -1.51 0.00 0.00 179.97 179.07 3abm h PHE 19 N -0.80 0.18 0.00 2.20 3.04 -1.38 -2.30 116.94 117.89 3abm h PHE 19 Ca -0.03 0.06 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 3abm h PHE 19 Cb 0.51 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 3abm h PHE 19 CO 0.06 -0.43 -0.84 0.45 -2.02 0.00 0.00 178.31 175.53 3abm h HIS 20 N 0.02 0.00 -0.05 0.41 3.86 -0.95 -2.59 115.15 115.85 3abm h HIS 20 Ca 0.66 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.63 3abm h HIS 20 Cb 1.47 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.95 3abm h HIS 20 CO -0.37 0.15 -0.91 0.82 0.86 0.00 0.00 177.93 178.48 3abm h ILE 21 N 0.00 1.33 -0.45 2.45 1.08 -0.80 0.91 117.51 122.02 3abm h ILE 21 Ca -0.03 -2.22 -0.12 0.00 -0.39 0.00 0.00 64.86 62.10 3abm h ILE 21 Cb 1.14 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 37.13 3abm h ILE 21 CO 0.01 0.68 -0.19 0.58 -0.69 0.00 0.00 178.15 178.55 3abm h VAL 22 N 0.37 1.27 -0.95 1.67 2.07 -1.49 0.26 116.25 119.45 3abm h VAL 22 Ca -0.08 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.13 3abm h VAL 22 Cb 1.54 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 3abm h VAL 22 CO 0.17 0.45 0.62 1.23 0.02 0.00 0.00 177.57 180.07 3abm h GLY 23 N 0.75 1.37 1.05 2.17 0.00 -1.31 -0.12 103.07 106.97 3abm h GLY 23 Ca 0.10 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 3abm h GLY 23 CO 0.06 0.44 -0.13 0.00 0.00 0.00 0.00 176.54 176.91 3abm h ALA 24 N 1.37 0.65 -0.13 3.60 0.00 -0.41 -0.42 119.26 123.91 3abm h ALA 24 Ca 0.37 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3abm h ALA 24 Cb -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3abm h ALA 24 CO -0.10 0.56 -0.16 0.35 0.00 0.00 0.00 179.25 179.90 3abm h PHE 25 N 0.76 -0.42 -0.50 0.00 3.57 -0.66 -1.36 116.94 118.34 3abm h PHE 25 Ca 0.12 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.71 3abm h PHE 25 Cb 0.68 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 3abm h PHE 25 CO 0.05 -0.23 0.18 0.52 -2.23 0.00 0.00 178.31 176.59 3abm h MET 26 N -0.20 0.34 -0.09 1.11 2.86 -0.84 -0.28 114.93 117.83 3abm h MET 26 Ca 0.10 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3abm h MET 26 Cb 0.34 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3abm h MET 26 CO -0.25 0.23 -0.03 0.28 1.06 0.00 0.00 176.91 178.19 3abm h VAL 27 N 0.35 1.08 0.20 -2.22 2.07 -0.88 -2.26 116.25 114.60 3abm h VAL 27 Ca 0.24 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3abm h VAL 27 Cb 0.25 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3abm h VAL 27 CO -0.24 0.10 -0.10 0.28 0.02 0.00 0.00 177.57 177.63 3abm h SER 28 N 0.12 -0.23 -0.97 0.57 0.02 0.10 -0.66 113.55 112.50 3abm h SER 28 Ca 0.03 -0.25 0.32 0.00 -0.84 0.00 0.00 61.79 61.05 3abm h SER 28 Cb 0.14 0.06 -0.16 0.00 0.14 0.00 0.00 62.40 62.57 3abm h SER 28 CO 0.01 0.30 0.35 -0.07 -1.14 0.00 0.00 176.83 176.28 3abm h LEU 29 N -0.96 0.10 -0.59 5.07 4.07 -1.48 0.34 115.31 121.87 3abm h LEU 29 Ca -0.03 0.24 -0.12 0.00 0.08 0.00 0.00 57.88 58.05 3abm h LEU 29 Cb 0.46 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 3abm h LEU 29 CO 0.05 -0.29 -0.17 1.23 -1.08 0.00 0.00 178.44 178.18 3abm h GLY 30 N 0.12 1.02 1.22 0.83 0.00 -1.04 -1.43 103.07 103.80 3abm h GLY 30 Ca 0.70 -0.86 -0.23 0.00 0.00 0.00 0.00 47.33 46.94 3abm h GLY 30 CO -0.74 0.78 -0.84 -2.75 0.00 0.00 0.00 176.54 172.99 3abm h PHE 31 N 0.83 1.04 -0.03 5.60 3.04 -0.59 -2.16 116.94 124.67 3abm h PHE 31 Ca 0.12 -0.48 0.04 0.00 3.98 0.00 0.00 57.97 61.62 3abm h PHE 31 Cb 0.72 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.03 3abm h PHE 31 CO 0.05 1.31 -0.28 0.00 -2.02 0.00 0.00 178.31 177.36 3abm h ALA 32 N 0.55 -0.38 -0.51 2.41 0.00 -0.94 0.45 119.26 120.84 3abm h ALA 32 Ca -0.07 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.94 3abm h ALA 32 Cb 1.47 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 19.67 3abm h ALA 32 CO 0.17 -0.78 -0.27 1.15 0.00 0.00 0.00 179.25 179.51 3abm h THR 33 N -0.41 0.27 -0.42 0.00 2.02 -1.26 -0.69 112.91 112.42 3abm h THR 33 Ca 0.07 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 3abm h THR 33 Cb 0.51 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3abm h THR 33 CO -0.26 0.00 -0.13 0.15 0.37 0.00 0.00 175.52 175.65 3abm h PHE 34 N -0.15 0.83 -0.09 3.16 3.57 -0.90 -3.21 116.94 120.15 3abm h PHE 34 Ca 0.23 -0.16 -0.20 0.00 3.53 0.00 0.00 57.97 61.37 3abm h PHE 34 Cb 0.51 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.05 3abm h PHE 34 CO -0.55 0.84 -0.72 -0.92 -2.23 0.00 0.00 178.31 174.73 3abm h TYR 35 N 0.68 0.90 -0.02 0.41 3.20 0.84 0.07 116.97 123.05 3abm h TYR 35 Ca 0.11 -0.42 -0.01 0.00 3.14 0.00 0.00 58.73 61.55 3abm h TYR 35 Cb 0.60 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3abm h TYR 35 CO 0.03 1.24 0.01 1.63 -1.64 0.00 0.00 178.16 179.43 3abm n LYS 36 N -4.05 1.02 0.00 1.82 5.02 -0.36 -1.22 118.16 120.40 3abm n LYS 36 Ca -0.09 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3abm n LYS 36 Cb 0.72 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 3abm n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3abm n PHE 37 N 0.72 -0.66 1.11 2.13 -0.00 -1.11 -4.12 117.46 115.53 3abm n PHE 37 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.58 3abm n PHE 37 Cb 0.52 0.32 0.26 0.00 -0.00 0.00 0.00 39.48 40.57 3abm n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3abm n ALA 38 N -2.13 3.43 0.07 3.13 0.00 -0.01 -3.36 120.51 121.64 3abm n ALA 38 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3abm n ALA 38 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3abm n ALA 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3abm n VAL 39 N -1.00 0.48 -0.05 0.00 0.31 -0.35 -4.74 118.33 112.97 3abm n VAL 39 Ca 0.09 0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 3abm n VAL 39 Cb 0.35 -1.07 -0.12 0.00 -0.91 0.00 0.00 33.84 32.09 3abm n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abm h ALA 40 N 0.00 0.00 -0.23 3.52 0.00 -1.75 -1.38 119.26 119.43 3abm h ALA 40 Ca 0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 3abm h ALA 40 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3abm h ALA 40 CO 0.00 -0.05 -0.61 0.93 0.00 0.00 0.00 179.25 179.52 3abm h GLU 41 N -0.77 0.81 -0.79 0.00 4.39 -1.75 -1.92 114.58 114.55 3abm h GLU 41 Ca -0.01 -0.57 0.17 0.00 0.34 0.00 0.00 59.36 59.29 3abm h GLU 41 Cb 0.87 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.50 3abm h GLU 41 CO 0.01 1.20 0.29 -0.22 -1.16 0.00 0.00 179.01 179.12 3abm h LYS 42 N 0.57 0.36 -0.21 2.33 3.64 -1.63 0.71 116.57 122.35 3abm h LYS 42 Ca -0.01 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3abm h LYS 42 Cb 1.23 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3abm h LYS 42 CO 0.13 0.24 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.35 3abm h ARG 43 N 0.38 0.45 -0.57 1.90 2.43 -1.11 -0.94 114.38 116.92 3abm h ARG 43 Ca 0.46 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3abm h ARG 43 Cb 0.78 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 3abm h ARG 43 CO -0.48 0.74 0.26 0.87 -1.51 0.00 0.00 179.97 179.85 3abm h LYS 44 N 0.14 0.80 -0.22 0.20 1.57 -0.87 -1.73 116.57 116.46 3abm h LYS 44 Ca 0.05 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 3abm h LYS 44 Cb 0.61 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3abm h LYS 44 CO 0.03 0.63 -0.58 -0.22 -0.57 0.00 0.00 179.45 178.75 3abm h LYS 45 N 0.80 0.79 -0.38 3.15 3.64 -0.77 -1.74 116.57 122.06 3abm h LYS 45 Ca 0.20 -0.55 0.07 0.00 -1.27 0.00 0.00 60.65 59.10 3abm h LYS 45 Cb 0.11 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 3abm h LYS 45 CO -0.02 1.17 -0.03 0.00 -2.27 0.00 0.00 179.45 178.29 3abm h ALA 46 N 0.62 0.32 -0.51 5.00 0.00 -0.81 0.27 119.26 124.14 3abm h ALA 46 Ca -0.01 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3abm h ALA 46 Cb 1.19 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 3abm h ALA 46 CO 0.12 -0.42 -0.18 1.88 0.00 0.00 0.00 179.25 180.66 3abm h TYR 47 N 0.06 1.15 -0.14 0.00 -1.99 -1.29 -1.22 116.97 113.56 3abm h TYR 47 Ca 0.19 -0.26 -0.04 0.00 2.00 0.00 0.00 58.73 60.61 3abm h TYR 47 Cb 0.27 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 3abm h TYR 47 CO -0.29 1.09 -0.09 0.00 -0.00 0.00 0.00 178.16 178.88 3abm h ALA 48 N 0.90 0.20 -0.80 3.88 0.00 -1.13 -2.21 119.26 120.10 3abm h ALA 48 Ca 0.12 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3abm h ALA 48 Cb 0.75 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3abm h ALA 48 CO 0.06 0.01 0.52 -0.44 0.00 0.00 0.00 179.25 179.40 3abm h ASP 49 N -0.05 0.89 -0.31 0.00 3.45 -0.44 -0.99 116.42 118.96 3abm h ASP 49 Ca 0.03 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 3abm h ASP 49 Cb 0.57 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 3abm h ASP 49 CO 0.02 0.63 0.17 0.15 -1.57 0.00 0.00 179.24 178.64 3abm h PHE 50 N 1.04 0.43 0.00 4.55 3.57 -1.06 -3.12 116.94 122.35 3abm h PHE 50 Ca 0.30 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.79 3abm h PHE 50 Cb -0.07 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.53 3abm h PHE 50 CO -0.02 0.36 -0.42 1.88 -2.23 0.00 0.00 178.31 177.87 3abm h TYR 51 N 0.38 0.00 -0.59 0.41 -1.99 -1.28 -3.33 116.97 110.57 3abm h TYR 51 Ca 0.11 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.96 3abm h TYR 51 Cb 0.07 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.69 3abm h TYR 51 CO -0.03 0.00 -0.11 -0.09 -0.00 0.00 0.00 178.16 177.93 3abm h ARG 52 N 0.00 0.02 -0.18 4.88 2.43 -1.11 -1.91 114.38 118.52 3abm h ARG 52 Ca 0.00 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3abm h ARG 52 Cb 0.96 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 3abm h ARG 52 CO 0.00 0.01 -0.40 0.09 -1.51 0.00 0.00 179.97 178.17 3abm n ASN 53 N -5.38 2.26 -4.74 -3.80 3.02 -1.26 -5.05 115.26 100.31 3abm n ASN 53 Ca 0.07 -3.87 -0.41 0.00 -0.03 0.00 0.00 54.58 50.34 3abm n ASN 53 Cb 0.32 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 3abm n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3abm s TYR 54 N -3.28 3.29 -0.28 3.10 5.04 -0.72 -4.99 117.35 119.50 3abm s TYR 54 Ca 0.41 1.30 0.01 0.00 -2.44 0.00 0.00 57.07 56.35 3abm s TYR 54 Cb 0.39 -3.56 0.06 0.00 0.35 0.00 0.00 41.96 39.19 3abm s TYR 54 CO -0.04 -1.68 -0.05 0.34 -1.34 0.00 0.00 175.55 172.78 3abm s ASP 55 N 0.18 4.67 0.41 4.32 -1.08 -1.26 -4.99 116.67 118.90 3abm s ASP 55 Ca 0.55 -1.39 0.22 0.00 -0.52 0.00 0.00 52.55 51.41 3abm s ASP 55 Cb -0.36 -1.63 0.48 0.00 -1.46 0.00 0.00 42.92 39.95 3abm s ASP 55 CO 0.39 -0.23 1.64 0.77 0.52 0.00 0.00 175.17 178.26 3abm h SER 56 N 7.87 0.00 0.42 -0.34 4.64 -1.99 -2.25 113.55 121.90 3abm h SER 56 Ca -0.19 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.91 3abm h SER 56 Cb 1.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3abm h SER 56 CO 0.50 0.19 -0.94 0.24 -0.87 0.00 0.00 176.83 175.95 3abm h MET 57 N 0.00 0.34 -0.13 4.77 2.86 -1.98 -0.34 114.93 120.45 3abm h MET 57 Ca -0.00 -0.38 -0.17 0.00 -2.06 0.00 0.00 59.70 57.09 3abm h MET 57 Cb 1.01 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 3abm h MET 57 CO 0.02 1.07 -0.65 -0.22 1.06 0.00 0.00 176.91 178.19 3abm h LYS 58 N 0.19 0.48 0.01 1.72 3.64 -1.94 0.18 116.57 120.84 3abm h LYS 58 Ca -0.07 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3abm h LYS 58 Cb 1.58 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.46 3abm h LYS 58 CO 0.16 0.97 -0.00 0.22 -2.27 0.00 0.00 179.45 178.52 3abm h ASP 59 N 0.35 -0.01 -0.61 4.20 -0.00 -1.28 -1.94 116.42 117.14 3abm h ASP 59 Ca -0.01 -0.05 0.11 0.00 -0.00 0.00 0.00 57.03 57.08 3abm h ASP 59 Cb 1.21 0.00 -0.08 0.00 -0.00 0.00 0.00 39.33 40.46 3abm h ASP 59 CO 0.12 0.04 0.15 0.15 -0.00 0.00 0.00 179.24 179.70 3abm h PHE 60 N -0.06 0.24 -0.79 0.28 3.04 -0.81 -0.79 116.94 118.06 3abm h PHE 60 Ca -0.00 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 3abm h PHE 60 Cb 0.05 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 3abm h PHE 60 CO -0.06 -0.01 0.37 1.49 -2.02 0.00 0.00 178.31 178.08 3abm h GLU 61 N 0.29 1.14 -0.57 1.11 4.57 -0.51 0.19 114.58 120.79 3abm h GLU 61 Ca 0.32 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3abm h GLU 61 Cb 0.46 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3abm h GLU 61 CO -0.39 0.88 0.37 0.93 -1.18 0.00 0.00 179.01 179.63 3abm h GLU 62 N 1.13 0.76 -0.69 1.92 5.08 -1.01 -0.73 114.58 121.03 3abm h GLU 62 Ca 0.27 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3abm h GLU 62 Cb 0.13 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3abm h GLU 62 CO -0.03 0.51 0.21 0.52 -1.00 0.00 0.00 179.01 179.22 3abm h MET 63 N 0.78 1.08 -0.38 2.33 2.86 -0.39 -1.96 114.93 119.26 3abm h MET 63 Ca 0.21 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3abm h MET 63 Cb -0.08 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 3abm h MET 63 CO -0.04 0.94 0.14 -0.09 1.06 0.00 0.00 176.91 178.92 3abm h ARG 64 N 1.02 0.57 0.00 1.72 2.43 -0.36 -2.53 114.38 117.23 3abm h ARG 64 Ca 0.22 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3abm h ARG 64 Cb 0.31 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3abm h ARG 64 CO -0.01 0.55 -0.26 0.87 -1.51 0.00 0.00 179.97 179.62 3abm h LYS 65 N 0.46 0.00 0.00 0.20 1.57 -1.00 0.44 116.57 118.24 3abm h LYS 65 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3abm h LYS 65 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3abm h LYS 65 CO -0.01 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.13 3abm n ALA 66 N -2.39 2.32 -0.60 3.86 0.00 -0.75 -4.92 120.51 118.03 3abm n ALA 66 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3abm n ALA 66 Cb 0.34 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3abm n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3abm n GLY 67 N 1.26 0.63 0.17 0.00 0.00 0.14 -4.98 105.19 102.42 3abm n GLY 67 Ca 0.09 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.52 3abm n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3abm h ILE 68 N 0.00 0.82 -3.16 -0.61 3.07 -1.71 -3.47 117.51 112.45 3abm h ILE 68 Ca 0.00 -1.82 -0.58 0.00 1.55 0.00 0.00 64.86 64.01 3abm h ILE 68 Cb 0.00 2.16 -0.04 0.00 -0.27 0.00 0.00 36.82 38.66 3abm h ILE 68 CO 0.00 0.41 -0.17 -0.36 -1.05 0.00 0.00 178.15 176.98 3abm s PHE 69 N -3.28 3.64 0.23 0.16 0.40 -1.26 -4.98 117.98 112.89 3abm s PHE 69 Ca 0.02 0.95 0.12 0.00 -0.60 0.00 0.00 56.93 57.42 3abm s PHE 69 Cb 0.09 -2.27 0.36 0.00 0.51 0.00 0.00 43.02 41.70 3abm s PHE 69 CO 0.71 0.52 1.60 1.96 0.70 0.00 0.00 175.22 180.71 3abm h GLN 70 N 3.93 0.00 -0.02 0.44 4.20 -2.02 -3.36 115.11 118.28 3abm h GLN 70 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 3abm h GLN 70 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3abm h GLN 70 CO 0.65 0.61 -0.09 -1.13 -0.67 0.00 0.00 178.83 178.20 3abm n SER 71 N -3.70 2.29 -3.60 1.46 3.41 -1.26 -4.88 113.62 107.35 3abm n SER 71 Ca -0.01 -1.65 -0.17 0.00 -0.26 0.00 0.00 58.87 56.79 3abm n SER 71 Cb 0.63 0.12 -0.14 0.00 -0.26 0.00 0.00 64.21 64.56 3abm n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3abm s ALA 72 N -1.62 -0.28 -0.99 7.33 0.00 -1.26 -5.25 121.76 119.69 3abm s ALA 72 Ca 0.19 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.74 3abm s ALA 72 Cb 0.15 -1.06 0.06 0.00 0.00 0.00 0.00 23.12 22.27 3abm s ALA 72 CO 0.28 -0.84 0.75 1.63 0.00 0.00 0.00 175.76 177.57