#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sym s SER 1 N 0.00 2.83 0.15 3.17 1.04 -1.26 -5.00 113.70 114.63 1sym s SER 1 Ca 0.00 -1.61 -0.07 0.00 0.48 0.00 0.00 55.95 54.75 1sym s SER 1 Cb 0.00 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1sym s SER 1 CO 0.00 -0.86 1.39 -0.33 0.98 0.00 0.00 173.24 174.42 1sym h GLU 2 N 1.81 0.61 -0.38 4.02 4.39 -2.02 -2.09 114.58 120.92 1sym h GLU 2 Ca -0.37 -0.47 -0.12 0.00 0.34 0.00 0.00 59.36 58.73 1sym h GLU 2 Cb 1.27 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 1sym h GLU 2 CO 0.61 1.09 -0.24 1.25 -1.16 0.00 0.00 179.01 180.57 1sym h LEU 3 N 0.43 0.86 0.30 1.33 5.85 -1.96 -0.29 115.31 121.83 1sym h LEU 3 Ca -0.03 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1sym h LEU 3 Cb 1.31 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1sym h LEU 3 CO 0.14 1.10 -0.14 -0.08 -0.34 0.00 0.00 178.44 179.11 1sym h GLU 4 N 0.62 -0.39 -0.69 1.25 4.22 -1.96 0.13 114.58 117.76 1sym h GLU 4 Ca 0.08 0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.54 1sym h GLU 4 Cb 0.80 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1sym h GLU 4 CO 0.07 -0.26 0.42 1.57 -2.18 0.00 0.00 179.01 178.62 1sym h LYS 5 N -0.84 0.93 0.00 1.92 2.10 -1.50 -0.32 116.57 118.86 1sym h LYS 5 Ca -0.04 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1sym h LYS 5 Cb 0.31 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1sym h LYS 5 CO 0.07 0.65 -0.00 0.00 -2.00 0.00 0.00 179.45 178.17 1sym h ALA 6 N 1.51 0.00 -0.03 0.07 0.00 -1.14 -1.87 119.26 117.80 1sym h ALA 6 Ca 0.25 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1sym h ALA 6 Cb -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1sym h ALA 6 CO -0.05 0.00 -0.38 1.98 0.00 0.00 0.00 179.25 180.81 1sym h MET 7 N -0.96 -0.49 0.00 0.00 1.85 -0.79 0.31 114.93 114.84 1sym h MET 7 Ca 0.00 0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1sym h MET 7 Cb 0.00 0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.14 1sym h MET 7 CO 0.00 -0.33 -0.00 0.28 -0.40 0.00 0.00 176.91 176.46 1sym h VAL 8 N -0.51 0.71 -0.46 -5.77 2.07 -1.11 -1.56 116.25 109.62 1sym h VAL 8 Ca 0.06 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1sym h VAL 8 Cb 0.61 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1sym h VAL 8 CO -0.32 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.42 1sym h ALA 9 N 2.00 0.60 -0.68 1.67 0.00 0.43 -2.22 119.26 121.06 1sym h ALA 9 Ca -0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1sym h ALA 9 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1sym h ALA 9 CO 0.00 0.25 0.45 -0.07 0.00 0.00 0.00 179.25 179.88 1sym h LEU 10 N 0.60 0.52 -1.23 0.00 3.38 -0.17 0.17 115.31 118.59 1sym h LEU 10 Ca 0.15 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1sym h LEU 10 Cb 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1sym h LEU 10 CO -0.00 0.32 -0.13 0.40 0.09 0.00 0.00 178.44 179.11 1sym h ILE 11 N 0.59 1.21 0.30 1.22 5.03 -1.36 -1.81 117.51 122.69 1sym h ILE 11 Ca 0.31 -0.93 -0.01 0.00 -0.12 0.00 0.00 64.86 64.11 1sym h ILE 11 Cb 0.43 1.19 0.00 0.00 -3.03 0.00 0.00 36.82 35.42 1sym h ILE 11 CO -0.10 0.30 -0.14 -0.78 -0.68 0.00 0.00 178.15 176.74 1sym h ASP 12 N 0.34 -0.34 0.01 1.72 1.82 -0.44 -2.98 116.42 116.56 1sym h ASP 12 Ca 0.07 -0.19 0.03 0.00 -0.39 0.00 0.00 57.03 56.55 1sym h ASP 12 Cb 0.45 0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.50 1sym h ASP 12 CO 0.03 0.05 -0.31 1.62 -1.61 0.00 0.00 179.24 179.02 1sym h VAL 13 N -0.79 0.33 -1.37 2.25 3.04 -1.32 0.30 116.25 118.69 1sym h VAL 13 Ca -0.04 0.00 0.42 0.00 -1.01 0.00 0.00 66.70 66.07 1sym h VAL 13 Cb 0.51 0.33 -0.10 0.00 -2.01 0.00 0.00 31.29 30.02 1sym h VAL 13 CO 0.07 0.00 0.93 0.15 -1.01 0.00 0.00 177.57 177.70 1sym h PHE 14 N -0.46 0.37 0.16 3.17 3.57 -1.37 0.64 116.94 123.02 1sym h PHE 14 Ca 0.06 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.27 1sym h PHE 14 Cb 0.54 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.20 1sym h PHE 14 CO -0.33 -0.10 -1.38 1.25 -2.23 0.00 0.00 178.31 175.53 1sym h HIS 15 N 0.10 0.60 -0.01 0.41 2.76 -0.82 -2.99 115.15 115.20 1sym h HIS 15 Ca 0.77 -0.44 -0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1sym h HIS 15 Cb 2.58 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 31.51 1sym h HIS 15 CO -0.00 1.38 0.01 0.37 -1.30 0.00 0.00 177.93 178.39 1sym h GLN 16 N 0.09 0.02 -0.75 5.26 5.75 0.14 2.18 115.11 127.80 1sym h GLN 16 Ca -0.19 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.26 1sym h GLN 16 Cb 2.03 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.55 1sym h GLN 16 CO 0.21 0.06 0.29 1.88 -2.65 0.00 0.00 178.83 178.62 1sym h TYR 17 N -0.03 1.15 -0.57 3.99 -1.99 -1.44 -1.95 116.97 116.14 1sym h TYR 17 Ca 0.00 -0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1sym h TYR 17 Cb 0.04 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.43 1sym h TYR 17 CO -0.06 0.89 0.00 0.45 -0.00 0.00 0.00 178.16 179.43 1sym n SER 18 N -4.31 3.28 -0.09 3.88 2.88 -1.05 -4.22 113.62 113.99 1sym n SER 18 Ca 0.06 -2.08 -0.23 0.00 -1.33 0.00 0.00 58.87 55.29 1sym n SER 18 Cb 0.19 -0.42 -0.12 0.00 -0.75 0.00 0.00 64.21 63.11 1sym n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sym n GLY 19 N 1.31 -0.62 0.30 0.46 0.00 0.73 -2.13 105.19 105.26 1sym n GLY 19 Ca 0.20 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.21 1sym n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1sym h ARG 20 N -0.59 0.53 0.00 1.61 0.11 -1.70 -3.45 114.38 110.90 1sym h ARG 20 Ca -0.48 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.57 1sym h ARG 20 Cb 1.65 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.61 1sym h ARG 20 CO -0.17 0.35 0.00 0.39 0.10 0.00 0.00 179.97 180.65 1sym n GLU 21 N -4.93 0.00 0.00 0.08 1.02 -1.26 -5.10 120.64 110.45 1sym n GLU 21 Ca 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1sym n GLU 21 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.88 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sym n GLY 22 N 0.00 0.45 0.08 0.62 0.00 -1.26 -3.87 105.19 101.21 1sym n GLY 22 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.23 1sym n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sym n ASP 23 N 0.41 2.34 -0.39 1.61 9.92 -1.26 -4.94 116.55 124.24 1sym n ASP 23 Ca 0.00 -2.92 -0.05 0.00 -0.53 0.00 0.00 54.79 51.29 1sym n ASP 23 Cb 0.00 -0.37 -0.02 0.00 -0.64 0.00 0.00 41.12 40.09 1sym n ASP 23 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sym n LYS 24 N -1.26 -1.70 0.00 -1.24 4.01 -0.90 -4.65 118.16 112.42 1sym n LYS 24 Ca 0.14 0.65 0.00 0.00 -0.51 0.00 0.00 58.31 58.59 1sym n LYS 24 Cb 0.59 -5.01 0.00 0.00 -0.51 0.00 0.00 35.03 30.10 1sym n LYS 24 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1sym n HIS 25 N -2.18 0.00 -3.77 2.13 -0.00 -1.26 -4.92 115.22 105.22 1sym n HIS 25 Ca -0.05 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.00 1sym n HIS 25 Cb 0.50 0.02 -0.10 0.00 -0.12 0.00 0.00 29.99 30.30 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1sym s LYS 26 N 0.00 0.55 0.00 1.57 -2.85 -1.26 -4.66 119.74 113.08 1sym s LYS 26 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 1sym s LYS 26 Cb 0.00 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1sym s LYS 26 CO 0.00 -0.13 0.00 1.28 0.10 0.00 0.00 175.35 176.60 1sym n LEU 27 N 1.90 0.00 -3.93 2.77 4.77 -1.12 -4.59 117.00 116.81 1sym n LEU 27 Ca -0.18 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 1sym n LEU 27 Cb 0.57 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 1sym n LEU 27 CO 0.19 -0.01 -0.39 -0.75 -1.33 0.00 0.00 177.39 175.10 1sym s LYS 28 N 0.45 0.28 0.62 3.23 2.20 -1.26 -1.73 119.74 123.54 1sym s LYS 28 Ca 0.00 -0.12 0.33 0.00 -0.36 0.00 0.00 55.97 55.82 1sym s LYS 28 Cb 0.00 -0.27 1.88 0.00 -1.51 0.00 0.00 37.83 37.93 1sym s LYS 28 CO 0.00 0.07 2.16 1.57 -0.36 0.00 0.00 175.35 178.80 1sym h LYS 29 N 6.07 0.00 0.20 4.03 2.10 -1.77 -0.07 116.57 127.13 1sym h LYS 29 Ca -0.27 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.07 1sym h LYS 29 Cb 1.20 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.55 1sym h LYS 29 CO 0.50 0.00 -1.38 0.66 -2.00 0.00 0.00 179.45 177.23 1sym h SER 30 N 0.00 0.69 1.56 7.07 4.64 -1.81 -2.21 113.55 123.49 1sym h SER 30 Ca 0.04 -0.73 -0.01 0.00 -0.47 0.00 0.00 61.79 60.62 1sym h SER 30 Cb 0.33 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1sym h SER 30 CO -0.00 1.57 -0.03 -0.08 -0.87 0.00 0.00 176.83 177.42 1sym h GLU 31 N 0.13 0.00 0.21 4.77 4.81 -1.50 -2.82 114.58 120.17 1sym h GLU 31 Ca -0.21 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.74 1sym h GLU 31 Cb 2.08 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.50 1sym h GLU 31 CO 0.25 0.03 -1.23 1.25 -0.73 0.00 0.00 179.01 178.57 1sym h LEU 32 N 0.00 0.69 -1.18 1.64 5.85 -1.08 0.50 115.31 121.73 1sym h LEU 32 Ca -0.00 -0.93 0.06 0.00 0.84 0.00 0.00 57.88 57.85 1sym h LEU 32 Cb 0.82 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1sym h LEU 32 CO 0.00 1.59 0.57 0.50 -0.34 0.00 0.00 178.44 180.77 1sym h LYS 33 N -0.06 0.98 0.05 1.25 3.64 -1.31 -0.59 116.57 120.52 1sym h LYS 33 Ca -0.22 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 58.87 1sym h LYS 33 Cb 1.96 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.54 1sym h LYS 33 CO 0.22 0.65 -1.12 1.05 -2.27 0.00 0.00 179.45 177.98 1sym h GLU 34 N 1.00 0.10 -0.74 1.90 -0.00 -1.53 -2.77 114.58 112.55 1sym h GLU 34 Ca 0.37 -0.17 0.06 0.00 -0.00 0.00 0.00 59.36 59.63 1sym h GLU 34 Cb 0.17 0.06 -0.06 0.00 -0.00 0.00 0.00 28.75 28.93 1sym h GLU 34 CO -0.13 1.06 0.43 1.25 -0.00 0.00 0.00 179.01 181.62 1sym h LEU 35 N 0.03 0.65 0.00 3.06 7.12 0.64 0.42 115.31 127.23 1sym h LEU 35 Ca -0.07 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 1sym h LEU 35 Cb 1.85 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.88 1sym h LEU 35 CO 0.15 0.42 -0.02 0.40 -0.13 0.00 0.00 178.44 179.26 1sym h ILE 36 N 0.78 1.67 0.00 4.05 2.04 -1.39 -2.42 117.51 122.24 1sym h ILE 36 Ca 0.33 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.93 1sym h ILE 36 Cb 0.19 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1sym h ILE 36 CO -0.18 0.57 0.00 -3.20 0.00 0.00 0.00 178.15 175.33 1sym n ASN 37 N -4.62 0.00 -0.01 1.72 5.15 -1.05 -2.10 115.26 114.35 1sym n ASN 37 Ca -0.10 -0.14 -0.02 0.00 -0.60 0.00 0.00 54.58 53.72 1sym n ASN 37 Cb 0.45 -0.17 -0.01 0.00 -0.53 0.00 0.00 39.78 39.53 1sym n ASN 37 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1sym n ASN 38 N -1.17 0.45 0.21 1.20 5.15 0.15 -4.43 115.26 116.82 1sym n ASN 38 Ca 0.09 0.07 -0.09 0.00 -0.60 0.00 0.00 54.58 54.05 1sym n ASN 38 Cb 0.09 -0.41 -0.04 0.00 -0.53 0.00 0.00 39.78 38.89 1sym n ASN 38 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1sym h GLU 39 N -0.18 -0.54 0.00 1.20 4.39 -1.54 -3.39 114.58 114.51 1sym h GLU 39 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1sym h GLU 39 Cb 0.18 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1sym h GLU 39 CO 0.00 -0.36 0.00 1.28 -1.16 0.00 0.00 179.01 178.77 1sym n LEU 40 N -3.65 0.00 -4.29 1.33 4.77 -1.07 -4.78 117.00 109.31 1sym n LEU 40 Ca -0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.53 1sym n LEU 40 Cb 0.23 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1sym n LEU 40 CO 0.16 0.00 -0.07 -0.24 -1.33 0.00 0.00 177.39 175.91 1sym n SER 41 N 0.00 -2.83 -0.26 -1.43 2.88 -0.89 -4.74 113.62 106.34 1sym n SER 41 Ca 0.00 -1.05 0.01 0.00 -1.33 0.00 0.00 58.87 56.50 1sym n SER 41 Cb 0.00 -2.35 0.02 0.00 -0.75 0.00 0.00 64.21 61.12 1sym n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1sym n HIS 42 N -4.24 0.00 -2.76 0.66 -0.00 -1.26 -4.82 115.22 102.81 1sym n HIS 42 Ca 0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.72 57.65 1sym n HIS 42 Cb 0.48 -0.05 0.05 0.00 -0.00 0.00 0.00 29.99 30.47 1sym n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1sym n PHE 43 N -0.19 1.30 -2.70 1.57 3.72 -1.26 -4.94 117.46 114.96 1sym n PHE 43 Ca 0.02 -2.06 -0.39 0.00 -0.05 0.00 0.00 57.45 54.97 1sym n PHE 43 Cb 0.60 -0.23 0.01 0.00 -0.94 0.00 0.00 39.48 38.92 1sym n PHE 43 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1sym n LEU 44 N -0.55 6.90 0.00 4.37 4.32 -1.26 -4.76 117.00 126.01 1sym n LEU 44 Ca 0.10 -5.43 0.00 0.00 -0.02 0.00 0.00 56.01 50.65 1sym n LEU 44 Cb 0.83 -1.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 1sym n LEU 44 CO 0.09 2.09 0.00 -0.62 -1.22 0.00 0.00 177.39 177.73 1sym n GLU 45 N -0.05 0.00 0.00 3.23 1.02 -1.26 -4.91 120.64 118.67 1sym n GLU 45 Ca 0.44 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 1sym n GLU 45 Cb 0.28 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 1sym n GLU 45 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1sym n GLU 46 N -1.83 1.88 -1.60 3.49 4.07 -1.26 -5.10 120.64 120.29 1sym n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1sym n GLU 46 Cb 0.00 -0.84 0.00 0.00 -0.06 0.00 0.00 31.44 30.54 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1sym n ILE 47 N -1.71 -7.91 -0.08 6.31 5.41 -1.26 -4.93 119.36 115.20 1sym n ILE 47 Ca 0.00 2.39 -0.06 0.00 1.00 0.00 0.00 62.75 66.08 1sym n ILE 47 Cb 0.34 -3.85 -0.16 0.00 -0.71 0.00 0.00 39.64 35.25 1sym n ILE 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1sym n LYS 48 N 0.89 0.68 -2.89 0.38 0.00 -0.39 -4.55 118.16 112.28 1sym n LYS 48 Ca 0.00 -0.03 -0.43 0.00 0.00 0.00 0.00 58.31 57.86 1sym n LYS 48 Cb 0.00 -1.54 0.01 0.00 0.00 0.00 0.00 35.03 33.50 1sym n LYS 48 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1sym n GLU 49 N -2.68 4.55 0.25 1.64 -0.58 -1.26 -4.78 120.64 117.79 1sym n GLU 49 Ca -0.26 -4.48 0.18 0.00 -0.42 0.00 0.00 57.16 52.17 1sym n GLU 49 Cb 1.04 -2.54 0.90 0.00 -0.57 0.00 0.00 31.44 30.27 1sym n GLU 49 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1sym h GLN 50 N 5.28 0.00 0.06 3.49 4.15 -1.92 0.48 115.11 126.65 1sym h GLN 50 Ca 0.26 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.44 1sym h GLN 50 Cb 0.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1sym h GLN 50 CO 1.34 0.00 -1.12 1.49 -1.93 0.00 0.00 178.83 178.62 1sym h GLU 51 N 0.00 0.12 -0.07 1.69 4.81 -1.95 -0.44 114.58 118.75 1sym h GLU 51 Ca 0.05 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1sym h GLU 51 Cb 0.42 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1sym h GLU 51 CO -0.00 1.10 -0.11 0.28 -0.73 0.00 0.00 179.01 179.55 1sym h VAL 52 N 0.03 1.40 0.01 0.32 2.07 -1.31 0.42 116.25 119.19 1sym h VAL 52 Ca -0.07 -1.37 -0.19 0.00 0.82 0.00 0.00 66.70 65.90 1sym h VAL 52 Cb 1.87 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.75 1sym h VAL 52 CO 0.16 0.38 -0.86 0.58 0.02 0.00 0.00 177.57 177.85 1sym h VAL 53 N -0.27 1.55 0.00 2.57 2.07 -1.55 -2.57 116.25 118.06 1sym h VAL 53 Ca 0.01 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 64.76 1sym h VAL 53 Cb 0.67 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1sym h VAL 53 CO 0.03 0.80 0.00 -0.78 0.02 0.00 0.00 177.57 177.63 1sym h ASP 54 N 0.05 0.00 0.02 0.57 3.58 -1.07 -0.58 116.42 118.98 1sym h ASP 54 Ca -0.03 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.39 1sym h ASP 54 Cb 1.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.55 1sym h ASP 54 CO 0.12 0.00 -0.14 0.50 -2.88 0.00 0.00 179.24 176.84 1sym h LYS 55 N 0.00 0.04 -0.04 0.28 3.64 0.03 -1.10 116.57 119.41 1sym h LYS 55 Ca 0.00 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.11 1sym h LYS 55 Cb 0.86 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1sym h LYS 55 CO 0.00 1.03 -0.82 -0.39 -2.27 0.00 0.00 179.45 177.01 1sym h VAL 56 N -0.91 1.40 0.00 2.00 -1.51 -1.53 -2.64 116.25 113.06 1sym h VAL 56 Ca -0.03 -2.30 -0.03 0.00 -1.23 0.00 0.00 66.70 63.12 1sym h VAL 56 Cb 1.09 2.25 -0.00 0.00 -2.13 0.00 0.00 31.29 32.50 1sym h VAL 56 CO 0.02 0.69 -0.15 -0.03 -1.23 0.00 0.00 177.57 176.86 1sym h MET 57 N 0.24 0.00 0.12 5.19 1.85 -1.21 -1.28 114.93 119.84 1sym h MET 57 Ca -0.05 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.04 1sym h MET 57 Cb 1.42 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.45 1sym h MET 57 CO 0.14 0.15 -0.06 0.93 -0.40 0.00 0.00 176.91 177.67 1sym h GLU 58 N 0.00 -0.16 -0.71 0.39 5.08 -0.93 -1.56 114.58 116.70 1sym h GLU 58 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sym h GLU 58 Cb 0.72 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1sym h GLU 58 CO 0.02 0.27 0.42 1.15 -1.00 0.00 0.00 179.01 179.87 1sym h THR 59 N -0.93 1.20 0.34 1.13 2.02 -1.48 0.99 112.91 116.18 1sym h THR 59 Ca -0.02 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1sym h THR 59 Cb 0.50 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1sym h THR 59 CO 0.03 0.21 -0.37 -0.07 0.37 0.00 0.00 175.52 175.68 1sym h LEU 60 N 0.97 -1.02 -0.03 2.58 3.38 -1.26 -0.76 115.31 119.16 1sym h LEU 60 Ca 0.25 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1sym h LEU 60 Cb -0.03 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1sym h LEU 60 CO -0.05 -0.51 -0.00 -0.67 0.09 0.00 0.00 178.44 177.30 1sym n ASP 61 N -5.47 0.06 0.11 -0.43 2.03 -0.59 -2.52 116.55 109.73 1sym n ASP 61 Ca -0.10 -0.84 -0.03 0.00 0.52 0.00 0.00 54.79 54.35 1sym n ASP 61 Cb 0.38 -0.06 0.18 0.00 -0.72 0.00 0.00 41.12 40.90 1sym n ASP 61 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1sym h GLU 62 N 0.08 0.17 0.00 -0.67 4.81 0.26 -3.42 114.58 115.81 1sym h GLU 62 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1sym h GLU 62 Cb 0.08 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1sym h GLU 62 CO 0.00 0.66 -0.00 -3.47 -0.73 0.00 0.00 179.01 175.47 1sym n ASP 63 N -3.92 0.29 0.00 1.04 2.03 -1.19 -5.01 116.55 109.80 1sym n ASP 63 Ca -0.02 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1sym n ASP 63 Cb 0.56 0.14 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 1sym n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sym n GLY 64 N 2.24 1.87 2.26 0.27 0.00 -1.05 -4.78 105.19 106.00 1sym n GLY 64 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1sym n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sym n ASP 65 N 0.00 2.51 -2.88 1.61 2.03 -1.26 -4.40 116.55 114.17 1sym n ASP 65 Ca 0.00 -2.68 -0.11 0.00 0.52 0.00 0.00 54.79 52.52 1sym n ASP 65 Cb 0.00 -0.42 -0.02 0.00 -0.72 0.00 0.00 41.12 39.96 1sym n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sym n GLY 66 N -0.53 3.97 3.54 0.27 0.00 -1.26 -5.05 105.19 106.13 1sym n GLY 66 Ca 0.19 -2.25 -0.24 0.00 0.00 0.00 0.00 46.02 43.72 1sym n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sym s GLU 67 N -2.62 1.95 0.45 1.61 2.02 -1.26 -2.96 118.70 117.88 1sym s GLU 67 Ca 0.01 -1.54 0.03 0.00 0.02 0.00 0.00 54.97 53.49 1sym s GLU 67 Cb 0.00 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 1sym s GLU 67 CO 0.00 0.37 0.11 0.00 0.02 0.00 0.00 175.26 175.76 1sym s ASP 69 N -3.69 4.16 0.23 0.00 1.01 -1.26 -2.78 116.67 114.33 1sym s ASP 69 Ca 0.17 -1.43 0.08 0.00 0.71 0.00 0.00 52.55 52.09 1sym s ASP 69 Cb 0.01 0.06 0.20 0.00 1.01 0.00 0.00 42.92 44.20 1sym s ASP 69 CO 0.12 -0.70 1.52 2.19 0.21 0.00 0.00 175.17 178.50 1sym h PHE 70 N 1.43 0.07 0.00 4.23 -0.00 -1.97 -2.04 116.94 118.65 1sym h PHE 70 Ca -0.43 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.97 57.45 1sym h PHE 70 Cb 1.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 37.21 1sym h PHE 70 CO 1.07 0.74 -0.29 1.96 -0.00 0.00 0.00 178.31 181.80 1sym h GLN 71 N 0.03 0.00 0.00 6.09 1.08 -1.98 -2.32 115.11 118.01 1sym h GLN 71 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1sym h GLN 71 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1sym h GLN 71 CO 0.10 0.29 -0.00 0.93 -0.95 0.00 0.00 178.83 179.19 1sym h GLU 72 N 0.00 -0.00 0.00 1.46 4.39 -1.90 -1.80 114.58 116.73 1sym h GLU 72 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1sym h GLU 72 Cb 1.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1sym h GLU 72 CO 0.04 0.89 -0.13 0.35 -1.16 0.00 0.00 179.01 179.00 1sym h PHE 73 N -0.93 0.00 0.05 4.33 3.04 -1.46 0.10 116.94 122.07 1sym h PHE 73 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1sym h PHE 73 Cb 0.90 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.41 1sym h PHE 73 CO 0.25 0.13 -0.03 0.52 -2.02 0.00 0.00 178.31 177.16 1sym h MET 74 N 0.00 -0.07 0.00 1.11 2.86 -1.43 -1.58 114.93 115.82 1sym h MET 74 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sym h MET 74 Cb 0.40 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1sym h MET 74 CO 0.02 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.54 1sym h ALA 75 N -0.06 1.00 0.18 6.32 0.00 -1.15 -2.77 119.26 122.78 1sym h ALA 75 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1sym h ALA 75 Cb 0.65 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.47 1sym h ALA 75 CO 0.01 0.00 -1.11 0.74 0.00 0.00 0.00 179.25 178.89 1sym h PHE 76 N 0.00 0.69 0.00 0.00 -1.00 -0.76 -2.77 116.94 113.11 1sym h PHE 76 Ca 0.00 -0.51 -0.07 0.00 2.81 0.00 0.00 57.97 60.20 1sym h PHE 76 Cb 0.44 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1sym h PHE 76 CO 0.00 1.43 -0.34 0.28 -1.61 0.00 0.00 178.31 178.06 1sym h VAL 77 N -0.18 1.16 0.02 -0.55 2.07 -1.09 -2.75 116.25 114.92 1sym h VAL 77 Ca -0.20 -1.21 -0.26 0.00 0.82 0.00 0.00 66.70 65.85 1sym h VAL 77 Cb 1.84 1.67 0.02 0.00 -1.52 0.00 0.00 31.29 33.30 1sym h VAL 77 CO 0.19 0.34 -1.05 0.28 0.02 0.00 0.00 177.57 177.34 1sym h SER 78 N 0.00 0.83 0.07 0.57 0.02 -1.56 -1.81 113.55 111.67 1sym h SER 78 Ca -0.00 -0.68 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1sym h SER 78 Cb 0.64 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1sym h SER 78 CO 0.04 1.48 -0.03 0.24 -1.14 0.00 0.00 176.83 177.43 1sym h MET 79 N 0.35 -0.09 -0.39 3.45 2.07 -1.28 -0.98 114.93 118.07 1sym h MET 79 Ca -0.13 0.01 -0.15 0.00 -2.07 0.00 0.00 59.70 57.36 1sym h MET 79 Cb 1.71 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 31.45 1sym h MET 79 CO 0.20 -0.02 -0.35 -0.39 1.07 0.00 0.00 176.91 177.43 1sym h VAL 80 N -0.14 1.27 0.00 -2.22 -1.51 -1.58 -0.76 116.25 111.31 1sym h VAL 80 Ca -0.01 -1.52 0.00 0.00 -1.23 0.00 0.00 66.70 63.94 1sym h VAL 80 Cb 0.12 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1sym h VAL 80 CO 0.02 0.51 0.00 0.41 -1.23 0.00 0.00 177.57 177.27 1sym n THR 81 N -4.07 0.94 0.54 7.19 -1.04 -0.68 -1.68 114.28 115.48 1sym n THR 81 Ca -0.02 0.36 0.08 0.00 -2.04 0.00 0.00 64.05 62.44 1sym n THR 81 Cb 0.52 -1.30 -0.11 0.00 -1.82 0.00 0.00 70.33 67.63 1sym n THR 81 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sym n THR 82 N -2.15 0.00 -0.87 12.58 -2.24 -0.38 -4.47 114.28 116.75 1sym n THR 82 Ca 0.01 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 1sym n THR 82 Cb 0.17 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym n ALA 83 N -1.63 5.23 -1.26 6.98 0.00 -0.34 -4.90 120.51 124.59 1sym n ALA 83 Ca 0.01 -1.33 -0.07 0.00 0.00 0.00 0.00 53.44 52.05 1sym n ALA 83 Cb 0.33 -1.59 0.06 0.00 0.00 0.00 0.00 19.45 18.25 1sym n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sym n HIS 85 N -2.61 0.00 0.00 0.00 -0.00 -1.26 -1.26 115.22 110.09 1sym n HIS 85 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1sym n HIS 85 Cb 0.18 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.05 1sym n HIS 85 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1sym n GLU 86 N 0.00 0.00 -2.87 1.57 4.71 -1.26 -4.49 120.64 118.30 1sym n GLU 86 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 1sym n GLU 86 Cb 0.00 -0.45 0.01 0.00 -1.01 0.00 0.00 31.44 29.99 1sym n GLU 86 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1sym s PHE 87 N -0.20 -1.15 -1.30 -0.32 5.36 -1.26 -4.94 117.98 114.17 1sym s PHE 87 Ca 0.00 -0.13 -0.03 0.00 -0.96 0.00 0.00 56.93 55.81 1sym s PHE 87 Cb 0.00 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 1sym s PHE 87 CO 0.00 -0.85 0.41 1.19 -1.46 0.00 0.00 175.22 174.51 1sym n PHE 88 N 3.42 -1.46 -0.91 10.12 3.72 -1.26 -1.53 117.46 129.57 1sym n PHE 88 Ca 0.12 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 1sym n PHE 88 Cb 0.59 -3.78 0.00 0.00 -0.94 0.00 0.00 39.48 35.35 1sym n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1sym n GLU 89 N -3.27 -1.35 -2.15 -1.08 2.13 -1.26 -3.42 120.64 110.23 1sym n GLU 89 Ca -0.11 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1sym n GLU 89 Cb 0.61 -4.61 0.00 0.00 0.27 0.00 0.00 31.44 27.71 1sym n GLU 89 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1sym n HIS 90 N -2.11 -1.69 -0.41 4.31 -0.00 -0.58 -5.10 115.22 109.64 1sym n HIS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sym n HIS 90 Cb 0.34 -0.88 0.00 0.00 -0.00 0.00 0.00 29.99 29.45 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43