#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sym n SER 1 N 0.00 0.37 0.09 3.17 3.41 -1.26 -4.87 113.62 114.53 1sym n SER 1 Ca 0.00 -1.30 -0.22 0.00 -0.26 0.00 0.00 58.87 57.09 1sym n SER 1 Cb 0.00 -0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 63.66 1sym n SER 1 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1sym h GLU 2 N 0.00 0.41 0.05 4.33 4.39 -2.03 -2.61 114.58 119.13 1sym h GLU 2 Ca -0.07 -0.70 -0.07 0.00 0.34 0.00 0.00 59.36 58.86 1sym h GLU 2 Cb 0.29 0.26 0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1sym h GLU 2 CO 0.09 1.34 -0.29 1.25 -1.16 0.00 0.00 179.01 180.23 1sym h LEU 3 N -0.14 0.17 -0.91 1.33 5.85 -1.96 -0.79 115.31 118.87 1sym h LEU 3 Ca -0.20 -0.98 -0.05 0.00 0.84 0.00 0.00 57.88 57.49 1sym h LEU 3 Cb 1.89 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 1sym h LEU 3 CO 0.21 1.14 0.24 -0.08 -0.34 0.00 0.00 178.44 179.61 1sym h GLU 4 N -0.78 1.04 0.21 1.25 4.81 -1.97 0.57 114.58 119.72 1sym h GLU 4 Ca -0.05 -0.20 -0.32 0.00 -0.13 0.00 0.00 59.36 58.66 1sym h GLU 4 Cb 1.23 -0.16 0.03 0.00 0.63 0.00 0.00 28.75 30.47 1sym h GLU 4 CO 0.05 0.87 -1.42 -0.22 -0.73 0.00 0.00 179.01 177.56 1sym h LYS 5 N 1.01 0.45 0.00 1.92 1.63 -1.58 -2.99 116.57 117.01 1sym h LYS 5 Ca 0.23 -0.76 0.00 0.00 -0.85 0.00 0.00 60.65 59.26 1sym h LYS 5 Cb 0.25 0.28 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1sym h LYS 5 CO -0.01 1.36 -0.01 0.00 -3.45 0.00 0.00 179.45 177.34 1sym h ALA 6 N 0.29 0.00 -0.58 5.00 0.00 -0.99 -2.45 119.26 120.54 1sym h ALA 6 Ca -0.22 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1sym h ALA 6 Cb 2.11 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.79 1sym h ALA 6 CO 0.25 0.01 -0.28 1.98 0.00 0.00 0.00 179.25 181.21 1sym h MET 7 N -0.41 -0.12 -0.22 0.00 1.85 0.02 0.45 114.93 116.49 1sym h MET 7 Ca 0.00 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 1sym h MET 7 Cb 0.01 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 1sym h MET 7 CO 0.00 -0.08 -0.00 0.28 -0.40 0.00 0.00 176.91 176.71 1sym h VAL 8 N -0.13 1.14 -0.64 -5.77 2.07 -1.47 -2.01 116.25 109.44 1sym h VAL 8 Ca 0.25 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1sym h VAL 8 Cb 0.53 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1sym h VAL 8 CO -0.65 0.18 0.40 0.00 0.02 0.00 0.00 177.57 177.52 1sym h ALA 9 N 1.69 0.83 -0.69 1.67 0.00 0.38 -1.04 119.26 122.10 1sym h ALA 9 Ca 0.07 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1sym h ALA 9 Cb 0.22 -0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1sym h ALA 9 CO 0.01 0.15 0.19 1.25 0.00 0.00 0.00 179.25 180.85 1sym h LEU 10 N 0.78 0.07 -0.84 0.00 6.46 -0.53 0.50 115.31 121.76 1sym h LEU 10 Ca 0.26 0.13 0.14 0.00 -0.12 0.00 0.00 57.88 58.28 1sym h LEU 10 Cb 0.01 0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 40.01 1sym h LEU 10 CO -0.10 0.01 0.43 0.40 -0.62 0.00 0.00 178.44 178.56 1sym h ILE 11 N 0.31 0.74 -0.35 4.05 5.03 -1.16 -0.05 117.51 126.07 1sym h ILE 11 Ca 0.38 -0.21 0.07 0.00 -0.12 0.00 0.00 64.86 64.98 1sym h ILE 11 Cb 0.61 0.06 -0.07 0.00 -3.03 0.00 0.00 36.82 34.39 1sym h ILE 11 CO -0.45 0.11 -0.10 -0.78 -0.68 0.00 0.00 178.15 176.26 1sym h ASP 12 N 0.63 -0.36 -1.10 1.72 1.82 0.32 0.12 116.42 119.57 1sym h ASP 12 Ca 0.45 0.11 0.30 0.00 -0.39 0.00 0.00 57.03 57.50 1sym h ASP 12 Cb 0.62 0.23 -0.09 0.00 0.68 0.00 0.00 39.33 40.77 1sym h ASP 12 CO -0.35 -0.13 0.72 0.58 -1.61 0.00 0.00 179.24 178.45 1sym h VAL 13 N -0.01 0.45 -0.53 2.25 2.07 -0.58 0.26 116.25 120.16 1sym h VAL 13 Ca 0.17 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1sym h VAL 13 Cb 0.28 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1sym h VAL 13 CO -0.37 0.05 0.35 0.15 0.02 0.00 0.00 177.57 177.77 1sym h PHE 14 N 0.29 0.67 0.00 1.57 3.57 -0.63 -0.23 116.94 122.17 1sym h PHE 14 Ca 0.62 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.13 1sym h PHE 14 Cb 1.77 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1sym h PHE 14 CO -0.00 0.42 0.00 1.58 -2.23 0.00 0.00 178.31 178.08 1sym n HIS 15 N -4.71 0.80 -0.06 0.41 -0.00 0.90 -1.18 115.22 111.38 1sym n HIS 15 Ca 0.03 0.36 -0.04 0.00 0.46 0.00 0.00 57.72 58.54 1sym n HIS 15 Cb 0.02 -1.08 -0.01 0.00 -0.12 0.00 0.00 29.99 28.80 1sym n HIS 15 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 1sym h GLN 16 N 0.00 0.00 0.43 1.57 5.75 -0.86 -3.08 115.11 118.91 1sym h GLN 16 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1sym h GLN 16 Cb 0.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1sym h GLN 16 CO 0.00 0.00 -0.20 1.88 -2.65 0.00 0.00 178.83 177.86 1sym h TYR 17 N -0.82 -0.53 -0.41 3.99 -1.99 -1.30 -2.69 116.97 113.22 1sym h TYR 17 Ca 0.00 -0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 1sym h TYR 17 Cb 0.40 0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 1sym h TYR 17 CO -0.17 -0.22 -0.04 1.03 -0.00 0.00 0.00 178.16 178.76 1sym h SER 18 N -1.02 0.66 0.26 3.88 0.87 -1.35 -1.55 113.55 115.28 1sym h SER 18 Ca -0.06 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1sym h SER 18 Cb 0.55 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1sym h SER 18 CO 0.10 0.75 0.00 0.61 -0.53 0.00 0.00 176.83 177.76 1sym n GLY 19 N -0.65 -0.74 0.36 5.77 0.00 -1.00 -3.29 105.19 105.64 1sym n GLY 19 Ca 0.02 -0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.15 1sym n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sym h ARG 20 N 0.00 0.55 0.00 1.61 3.08 -0.92 -3.44 114.38 115.26 1sym h ARG 20 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1sym h ARG 20 Cb 0.13 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1sym h ARG 20 CO 0.00 0.36 0.00 -1.91 -1.07 0.00 0.00 179.97 177.35 1sym n GLU 21 N -4.82 0.70 -0.15 0.04 2.13 -1.21 -5.01 120.64 112.32 1sym n GLU 21 Ca 0.26 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.22 1sym n GLU 21 Cb 0.75 0.00 0.49 0.00 0.27 0.00 0.00 31.44 32.95 1sym n GLU 21 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1sym h GLY 22 N 0.00 0.72 -7.16 8.31 0.00 -1.85 -3.39 103.07 99.71 1sym h GLY 22 Ca 0.00 -0.19 -0.33 0.00 0.00 0.00 0.00 47.33 46.81 1sym h GLY 22 CO 0.00 0.08 1.47 1.22 0.00 0.00 0.00 176.54 179.31 1sym n ASP 23 N -4.48 0.18 -1.03 0.19 8.00 -1.26 -4.64 116.55 113.51 1sym n ASP 23 Ca 0.13 -0.58 0.08 0.00 0.71 0.00 0.00 54.79 55.13 1sym n ASP 23 Cb 0.47 -1.02 0.25 0.00 -0.02 0.00 0.00 41.12 40.80 1sym n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sym n LYS 24 N 7.42 3.07 -0.69 -1.24 5.02 -1.26 -3.79 118.16 126.69 1sym n LYS 24 Ca 0.59 -2.48 -0.03 0.00 -2.02 0.00 0.00 58.31 54.37 1sym n LYS 24 Cb 0.23 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1sym n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sym n HIS 25 N 0.70 0.00 -3.83 2.13 8.25 -1.26 -5.00 115.22 116.21 1sym n HIS 25 Ca 0.19 -0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.36 1sym n HIS 25 Cb 0.64 0.35 -0.06 0.00 1.12 0.00 0.00 29.99 32.04 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1sym s LYS 26 N 0.00 1.03 0.00 -0.41 0.00 -1.26 -4.62 119.74 114.48 1sym s LYS 26 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 55.97 55.00 1sym s LYS 26 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 37.83 38.22 1sym s LYS 26 CO 0.00 -0.37 0.00 -0.11 0.00 0.00 0.00 175.35 174.87 1sym n LEU 27 N -0.17 0.00 -3.76 2.77 7.94 -0.37 -4.70 117.00 118.71 1sym n LEU 27 Ca -0.12 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.64 1sym n LEU 27 Cb 0.63 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.49 1sym n LEU 27 CO 0.21 0.00 0.02 -0.54 -1.11 0.00 0.00 177.39 175.97 1sym s LYS 28 N 1.54 0.63 0.56 1.96 1.02 -1.26 -2.41 119.74 121.79 1sym s LYS 28 Ca 0.00 -0.12 0.25 0.00 0.02 0.00 0.00 55.97 56.12 1sym s LYS 28 Cb 0.00 0.28 1.57 0.00 -0.52 0.00 0.00 37.83 39.16 1sym s LYS 28 CO 0.00 -0.17 2.16 1.57 -0.92 0.00 0.00 175.35 177.99 1sym h LYS 29 N 4.08 0.00 0.08 1.68 -0.00 -1.86 0.78 116.57 121.33 1sym h LYS 29 Ca -0.29 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 60.08 1sym h LYS 29 Cb 1.18 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.43 1sym h LYS 29 CO 0.39 0.00 -1.15 1.03 -0.00 0.00 0.00 179.45 179.71 1sym h SER 30 N 0.00 0.77 1.67 7.07 0.87 -1.88 -1.61 113.55 120.44 1sym h SER 30 Ca 0.05 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1sym h SER 30 Cb 0.22 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1sym h SER 30 CO -0.00 1.50 0.00 -0.08 -0.53 0.00 0.00 176.83 177.72 1sym h GLU 31 N 0.27 0.00 0.08 2.24 4.81 -1.71 -2.80 114.58 117.48 1sym h GLU 31 Ca -0.15 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 1sym h GLU 31 Cb 1.82 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.21 1sym h GLU 31 CO 0.21 0.00 -0.60 1.25 -0.73 0.00 0.00 179.01 179.14 1sym h LEU 32 N 0.00 0.27 -0.78 1.64 5.85 -0.85 -0.48 115.31 120.96 1sym h LEU 32 Ca 0.00 -0.94 0.10 0.00 0.84 0.00 0.00 57.88 57.88 1sym h LEU 32 Cb 0.84 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1sym h LEU 32 CO 0.00 1.28 0.43 0.50 -0.34 0.00 0.00 178.44 180.30 1sym h LYS 33 N -0.63 0.69 -0.26 1.25 3.11 -1.29 -0.23 116.57 119.22 1sym h LYS 33 Ca -0.12 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 57.53 1sym h LYS 33 Cb 1.40 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 32.48 1sym h LYS 33 CO 0.07 0.46 -0.44 1.05 -2.81 0.00 0.00 179.45 177.77 1sym h GLU 34 N 0.71 0.75 -0.92 1.90 4.11 -1.56 -1.78 114.58 117.78 1sym h GLU 34 Ca 0.38 -0.47 0.25 0.00 0.07 0.00 0.00 59.36 59.60 1sym h GLU 34 Cb 0.38 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.54 1sym h GLU 34 CO -0.26 1.09 0.39 1.25 0.07 0.00 0.00 179.01 181.55 1sym h LEU 35 N 0.49 0.27 0.01 3.06 7.12 0.65 1.49 115.31 128.41 1sym h LEU 35 Ca 0.02 0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.20 1sym h LEU 35 Cb 1.04 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1sym h LEU 35 CO 0.10 -0.08 -0.00 0.40 -0.13 0.00 0.00 178.44 178.73 1sym h ILE 36 N 0.33 0.00 0.39 4.05 2.04 -1.14 -3.15 117.51 120.02 1sym h ILE 36 Ca 0.60 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1sym h ILE 36 Cb 1.22 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1sym h ILE 36 CO -0.59 0.00 -0.19 -1.13 0.00 0.00 0.00 178.15 176.25 1sym h ASN 37 N -0.87 -0.44 -0.91 1.72 -0.73 -0.95 -0.22 115.58 113.17 1sym h ASN 37 Ca -0.00 0.02 0.17 0.00 1.87 0.00 0.00 56.30 58.35 1sym h ASN 37 Cb 0.01 0.11 -0.17 0.00 0.27 0.00 0.00 38.32 38.55 1sym h ASN 37 CO 0.00 -0.20 -0.28 -1.13 -0.37 0.00 0.00 177.43 175.45 1sym h ASN 38 N -0.74 -1.03 0.00 1.15 -1.24 0.19 -2.80 115.58 111.11 1sym h ASN 38 Ca -0.05 0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.24 1sym h ASN 38 Cb 0.40 0.62 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1sym h ASN 38 CO 0.09 -0.30 0.00 -0.62 -1.29 0.00 0.00 177.43 175.31 1sym n GLU 39 N -5.55 0.00 0.00 6.67 -0.58 -0.92 -4.74 120.64 115.52 1sym n GLU 39 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1sym n GLU 39 Cb 0.44 -0.31 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 1sym n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1sym n LEU 40 N -0.37 0.00 -3.95 -4.62 4.77 -0.14 -4.79 117.00 107.90 1sym n LEU 40 Ca 0.00 0.11 -0.39 0.00 -0.03 0.00 0.00 56.01 55.70 1sym n LEU 40 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1sym n LEU 40 CO 0.00 0.00 -0.16 -1.20 -1.33 0.00 0.00 177.39 174.70 1sym n SER 41 N -0.19 -3.95 0.05 -1.43 7.64 -0.94 -4.83 113.62 109.98 1sym n SER 41 Ca 0.00 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.70 1sym n SER 41 Cb 0.00 -2.36 0.00 0.00 -1.01 0.00 0.00 64.21 60.84 1sym n SER 41 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1sym n HIS 42 N -4.68 -0.97 0.19 1.43 -0.00 -1.26 -4.82 115.22 105.10 1sym n HIS 42 Ca -0.13 0.17 0.07 0.00 -0.00 0.00 0.00 57.72 57.83 1sym n HIS 42 Cb 0.59 0.59 0.36 0.00 -0.00 0.00 0.00 29.99 31.53 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 -2.82 0.44 -1.70 1.57 3.72 -1.26 -4.42 117.46 112.97 1sym n PHE 43 Ca 0.00 0.21 -0.17 0.00 -0.05 0.00 0.00 57.45 57.44 1sym n PHE 43 Cb 0.00 -0.84 -0.07 0.00 -0.94 0.00 0.00 39.48 37.63 1sym n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1sym s LEU 44 N -3.87 2.87 0.20 4.37 2.01 -1.26 -4.31 118.68 118.69 1sym s LEU 44 Ca 0.01 -0.33 0.00 0.00 0.01 0.00 0.00 54.13 53.81 1sym s LEU 44 Cb 0.05 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.69 1sym s LEU 44 CO 0.18 -3.72 0.00 -0.62 1.01 0.00 0.00 176.35 173.20 1sym n GLU 45 N 8.72 0.00 -0.02 1.70 1.02 -1.26 -4.97 120.64 125.82 1sym n GLU 45 Ca 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.55 1sym n GLU 45 Cb 0.45 -0.15 -0.03 0.00 -0.02 0.00 0.00 31.44 31.69 1sym n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sym n GLU 46 N -3.34 1.10 -2.09 3.49 1.02 -1.26 -5.12 120.64 114.44 1sym n GLU 46 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1sym n GLU 46 Cb 0.03 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1sym n GLU 46 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1sym n ILE 47 N -2.50-12.61 -0.02 -3.67 3.06 -1.26 -4.92 119.36 97.43 1sym n ILE 47 Ca -0.09 3.38 0.07 0.00 -2.50 0.00 0.00 62.75 63.61 1sym n ILE 47 Cb 0.61 -5.26 -0.14 0.00 0.54 0.00 0.00 39.64 35.39 1sym n ILE 47 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1sym n LYS 48 N 1.78 0.65 -2.91 9.51 0.00 -0.70 -4.58 118.16 121.90 1sym n LYS 48 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 58.31 57.78 1sym n LYS 48 Cb 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 35.03 33.60 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 -2.20 4.47 0.24 1.64 -0.58 -0.21 -4.80 120.64 119.21 1sym n GLU 49 Ca -0.07 -4.65 0.16 0.00 -0.42 0.00 0.00 57.16 52.19 1sym n GLU 49 Cb 0.55 -2.44 0.75 0.00 -0.57 0.00 0.00 31.44 29.73 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 4.56 0.00 0.18 3.49 -0.00 -1.86 0.25 115.11 121.73 1sym h GLN 50 Ca 0.32 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.66 1sym h GLN 50 Cb 0.50 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.00 1sym h GLN 50 CO 1.16 0.00 -1.34 0.93 0.00 0.00 0.00 178.83 179.58 1sym h GLU 51 N 0.00 0.41 -0.12 1.69 5.08 -1.95 -0.13 114.58 119.55 1sym h GLU 51 Ca 0.08 -0.68 -0.03 0.00 -1.00 0.00 0.00 59.36 57.72 1sym h GLU 51 Cb 0.92 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1sym h GLU 51 CO -0.00 1.32 -0.04 0.28 -1.00 0.00 0.00 179.01 179.57 1sym h VAL 52 N 0.12 1.30 -0.05 3.13 2.07 -0.90 0.35 116.25 122.27 1sym h VAL 52 Ca -0.19 -1.03 -0.19 0.00 0.82 0.00 0.00 66.70 66.11 1sym h VAL 52 Cb 2.05 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 33.55 1sym h VAL 52 CO 0.24 0.30 -0.79 0.58 0.02 0.00 0.00 177.57 177.92 1sym h VAL 53 N -0.08 1.39 0.00 2.57 2.07 -1.52 -2.73 116.25 117.95 1sym h VAL 53 Ca 0.03 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1sym h VAL 53 Cb 0.48 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1sym h VAL 53 CO 0.01 0.67 0.00 -0.78 0.02 0.00 0.00 177.57 177.50 1sym h ASP 54 N 0.25 0.00 0.03 0.57 3.58 -0.96 -1.33 116.42 118.57 1sym h ASP 54 Ca -0.04 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 1sym h ASP 54 Cb 1.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.43 1sym h ASP 54 CO 0.13 0.00 -0.18 0.11 -2.88 0.00 0.00 179.24 176.42 1sym h LYS 55 N 0.00 0.07 -0.11 0.28 1.57 -0.03 -1.26 116.57 117.09 1sym h LYS 55 Ca 0.00 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 1sym h LYS 55 Cb 0.65 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1sym h LYS 55 CO 0.00 1.03 -0.70 -0.39 -0.57 0.00 0.00 179.45 178.83 1sym h VAL 56 N -0.83 1.35 0.00 0.50 -1.51 -1.50 -2.15 116.25 112.11 1sym h VAL 56 Ca -0.03 -2.03 -0.08 0.00 -1.23 0.00 0.00 66.70 63.32 1sym h VAL 56 Cb 1.12 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 32.28 1sym h VAL 56 CO 0.03 0.62 -0.39 -0.03 -1.23 0.00 0.00 177.57 176.58 1sym h MET 57 N 0.35 0.00 -0.00 5.19 1.85 -1.35 -0.82 114.93 120.14 1sym h MET 57 Ca -0.03 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1sym h MET 57 Cb 1.27 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.30 1sym h MET 57 CO 0.13 0.39 -0.01 0.93 -0.40 0.00 0.00 176.91 177.94 1sym h GLU 58 N 0.00 0.01 0.00 0.39 5.08 -1.01 -1.72 114.58 117.33 1sym h GLU 58 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1sym h GLU 58 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1sym h GLU 58 CO 0.05 0.75 -0.15 1.15 -1.00 0.00 0.00 179.01 179.81 1sym h THR 59 N -0.72 0.70 0.22 1.13 2.02 -1.37 0.36 112.91 115.25 1sym h THR 59 Ca -0.00 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1sym h THR 59 Cb 0.75 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1sym h THR 59 CO 0.00 0.15 -0.11 -0.07 0.37 0.00 0.00 175.52 175.86 1sym h LEU 60 N 0.00 -0.25 0.00 2.58 3.38 -1.06 -2.63 115.31 117.32 1sym h LEU 60 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1sym h LEU 60 Cb 0.37 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sym h LEU 60 CO 0.02 0.15 0.00 -0.67 0.09 0.00 0.00 178.44 178.03 1sym n ASP 61 N -5.05 0.00 0.04 -0.43 2.03 -0.66 -3.05 116.55 109.44 1sym n ASP 61 Ca -0.09 0.12 -0.20 0.00 0.52 0.00 0.00 54.79 55.14 1sym n ASP 61 Cb 0.25 -0.37 -0.14 0.00 -0.72 0.00 0.00 41.12 40.14 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 0.00 0.28 0.00 -0.67 4.81 -0.15 -3.41 114.58 115.44 1sym h GLU 62 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1sym h GLU 62 Cb 0.37 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1sym h GLU 62 CO 0.00 1.23 0.00 -0.25 -0.73 0.00 0.00 179.01 179.26 1sym n ASP 63 N -4.12 0.00 -0.16 1.04 8.00 -1.01 -4.89 116.55 115.42 1sym n ASP 63 Ca -0.15 0.32 -0.02 0.00 0.71 0.00 0.00 54.79 55.65 1sym n ASP 63 Cb 0.82 -0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1sym n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sym n GLY 64 N 2.13 0.27 0.00 0.44 0.00 -1.17 -4.55 105.19 102.32 1sym n GLY 64 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.83 0.00 -4.95 1.61 -0.08 -1.26 -4.99 116.55 106.06 1sym n ASP 65 Ca -0.02 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.02 1sym n ASP 65 Cb 0.44 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.94 1sym n ASP 65 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1sym s GLY 66 N -0.95 1.71 0.39 0.27 0.00 -1.26 -5.00 107.32 102.48 1sym s GLY 66 Ca 0.00 -1.05 0.08 0.00 0.00 0.00 0.00 44.72 43.75 1sym s GLY 66 CO 0.00 -0.73 0.51 -1.83 0.00 0.00 0.00 173.10 171.05 1sym s GLU 67 N -4.96 2.86 0.34 2.90 -1.05 -1.26 -3.29 118.70 114.24 1sym s GLU 67 Ca 0.57 -1.22 0.09 0.00 -0.15 0.00 0.00 54.97 54.25 1sym s GLU 67 Cb -0.10 -2.71 -0.05 0.00 -0.44 0.00 0.00 34.13 30.82 1sym s GLU 67 CO 0.42 -0.16 0.08 0.00 0.95 0.00 0.00 175.26 176.55 1sym s ASP 69 N -3.79 4.80 0.07 0.00 1.01 -1.26 -1.24 116.67 116.26 1sym s ASP 69 Ca 0.36 -0.76 -0.01 0.00 0.71 0.00 0.00 52.55 52.85 1sym s ASP 69 Cb -0.02 0.32 -0.27 0.00 1.01 0.00 0.00 42.92 43.97 1sym s ASP 69 CO 0.21 -1.57 1.13 2.19 0.21 0.00 0.00 175.17 177.34 1sym h PHE 70 N -0.09 0.37 0.00 4.23 -0.00 -1.96 -2.08 116.94 117.42 1sym h PHE 70 Ca -0.31 -0.27 -0.15 0.00 -0.00 0.00 0.00 57.97 57.24 1sym h PHE 70 Cb 1.28 -0.01 -0.02 0.00 -0.00 0.00 0.00 35.95 37.19 1sym h PHE 70 CO 0.22 1.22 -0.71 1.96 -0.00 0.00 0.00 178.31 181.01 1sym h GLN 71 N 0.06 0.00 0.12 6.09 4.20 -1.98 -2.06 115.11 121.53 1sym h GLN 71 Ca -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1sym h GLN 71 Cb 1.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.72 1sym h GLN 71 CO 0.18 0.71 -0.06 0.93 -0.67 0.00 0.00 178.83 179.92 1sym h GLU 72 N 0.00 -0.15 0.00 1.46 4.39 -1.94 -1.83 114.58 116.51 1sym h GLU 72 Ca -0.01 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1sym h GLU 72 Cb 1.54 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1sym h GLU 72 CO 0.09 0.33 -0.07 0.27 -1.16 0.00 0.00 179.01 178.48 1sym h PHE 73 N -0.87 0.00 0.01 4.33 -0.00 -1.48 -0.30 116.94 118.64 1sym h PHE 73 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.95 1sym h PHE 73 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.50 1sym h PHE 73 CO 0.11 0.07 -0.00 0.52 -0.00 0.00 0.00 178.31 179.00 1sym h MET 74 N 0.00 -0.01 0.00 6.09 2.86 -1.30 -2.07 114.93 120.50 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 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1sym h MET 74 CO 0.01 0.59 0.00 0.00 1.06 0.00 0.00 176.91 178.57 1sym h ALA 75 N 0.38 1.00 0.08 6.32 0.00 -0.94 -2.79 119.26 123.31 1sym h ALA 75 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1sym h ALA 75 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sym h ALA 75 CO 0.00 0.00 -1.13 0.74 0.00 0.00 0.00 179.25 178.86 1sym h PHE 76 N 0.00 0.43 0.00 0.00 -1.00 -0.94 -2.90 116.94 112.52 1sym h PHE 76 Ca 0.00 -0.29 -0.08 0.00 2.81 0.00 0.00 57.97 60.41 1sym h PHE 76 Cb 0.52 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1sym h PHE 76 CO 0.00 1.19 -0.38 0.28 -1.61 0.00 0.00 178.31 177.79 1sym h VAL 77 N 0.09 0.89 0.03 -0.55 2.07 -1.10 -3.13 116.25 114.56 1sym h VAL 77 Ca -0.10 -1.55 -0.10 0.00 0.82 0.00 0.00 66.70 65.77 1sym h VAL 77 Cb 1.84 1.95 0.01 0.00 -1.52 0.00 0.00 31.29 33.56 1sym h VAL 77 CO 0.18 0.38 -0.40 0.28 0.02 0.00 0.00 177.57 178.03 1sym h SER 78 N 0.00 0.30 -0.08 0.57 0.02 -1.53 -2.03 113.55 110.80 1sym h SER 78 Ca -0.00 -0.85 0.04 0.00 -0.84 0.00 0.00 61.79 60.14 1sym h SER 78 Cb 0.92 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.32 1sym h SER 78 CO 0.05 1.11 -0.19 0.24 -1.14 0.00 0.00 176.83 176.90 1sym h MET 79 N -0.48 -0.26 -0.40 3.45 2.07 -1.53 0.41 114.93 118.19 1sym h MET 79 Ca -0.06 0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.54 1sym h MET 79 Cb 1.20 0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 30.97 1sym h MET 79 CO 0.08 -0.17 0.06 -0.39 1.07 0.00 0.00 176.91 177.56 1sym h VAL 80 N -0.27 1.24 0.00 -2.22 -1.51 -1.66 0.23 116.25 112.07 1sym h VAL 80 Ca 0.08 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1sym h VAL 80 Cb 0.38 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1sym h VAL 80 CO -0.23 0.30 0.00 0.41 -1.23 0.00 0.00 177.57 176.82 1sym n THR 81 N -4.51 0.42 -0.41 7.19 -1.04 -0.76 -2.34 114.28 112.82 1sym n THR 81 Ca -0.01 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1sym n THR 81 Cb 0.24 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 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 -1.21 0.55 0.54 12.58 -2.24 0.10 -4.68 114.28 119.91 1sym n THR 82 Ca 0.09 -0.57 0.13 0.00 -2.27 0.00 0.00 64.05 61.42 1sym n THR 82 Cb 0.11 0.76 0.34 0.00 -2.10 0.00 0.00 70.33 69.44 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym h ALA 83 N 0.00 0.97 -4.40 6.98 0.00 -0.17 -3.46 119.26 119.19 1sym h ALA 83 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1sym h ALA 83 Cb 0.66 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.52 1sym h ALA 83 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 179.25 179.36 1sym n HIS 85 N -2.43 0.00 -2.97 0.00 1.44 -1.26 -4.74 115.22 105.26 1sym n HIS 85 Ca 0.09 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.42 1sym n HIS 85 Cb 0.33 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.44 1sym n HIS 85 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1sym n GLU 86 N -0.35 4.30 0.00 -1.40 0.28 -1.26 -4.60 120.64 117.60 1sym n GLU 86 Ca 0.00 -4.64 0.02 0.00 -0.16 0.00 0.00 57.16 52.38 1sym n GLU 86 Cb 0.03 -2.43 0.01 0.00 1.43 0.00 0.00 31.44 30.48 1sym n GLU 86 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1sym n PHE 87 N 0.70 0.00 -2.31 -1.84 1.16 -1.26 -4.63 117.46 109.28 1sym n PHE 87 Ca 0.33 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.74 1sym n PHE 87 Cb 0.33 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.23 1sym n PHE 87 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1sym n PHE 88 N -0.04 2.31 0.00 2.97 3.72 -1.26 -4.94 117.46 120.22 1sym n PHE 88 Ca 0.02 -2.28 0.00 0.00 -0.05 0.00 0.00 57.45 55.15 1sym n PHE 88 Cb 0.11 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 1sym n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sym n GLU 89 N -0.64 0.00 0.00 -1.08 4.71 -1.26 -5.13 120.64 117.23 1sym n GLU 89 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 1sym n GLU 89 Cb 0.89 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.32 1sym n GLU 89 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 1sym n HIS 90 N 0.00 0.00 0.00 -0.32 1.44 -1.26 -5.23 115.22 109.85 1sym n HIS 90 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1sym n HIS 90 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62