#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 3.38 -0.06 7.83 0.15 -1.26 -5.00 113.70 118.73 1sym s SER 1 Ca 0.00 -1.49 -0.23 0.00 0.70 0.00 0.00 55.95 54.94 1sym s SER 1 Cb 0.00 0.05 -0.30 0.00 -1.71 0.00 0.00 66.02 64.05 1sym s SER 1 CO 0.00 -0.66 0.86 -0.08 1.20 0.00 0.00 173.24 174.55 1sym h GLU 2 N 1.76 0.25 0.15 5.44 4.57 -2.04 -2.83 114.58 121.89 1sym h GLU 2 Ca -0.42 -0.43 -0.21 0.00 -1.18 0.00 0.00 59.36 57.12 1sym h GLU 2 Cb 1.26 0.16 0.02 0.00 -0.16 0.00 0.00 28.75 30.04 1sym h GLU 2 CO 0.73 1.21 -0.90 1.25 -1.18 0.00 0.00 179.01 180.11 1sym h LEU 3 N -0.46 0.53 -0.49 1.64 5.85 -1.97 -2.50 115.31 117.91 1sym h LEU 3 Ca -0.13 -0.94 -0.01 0.00 0.84 0.00 0.00 57.88 57.64 1sym h LEU 3 Cb 1.55 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1sym h LEU 3 CO 0.12 1.43 0.26 -0.08 -0.34 0.00 0.00 178.44 179.84 1sym h GLU 4 N -0.28 0.68 -0.19 1.25 4.81 -1.98 0.38 114.58 119.26 1sym h GLU 4 Ca -0.16 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 58.84 1sym h GLU 4 Cb 1.71 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.95 1sym h GLU 4 CO 0.17 0.54 -0.52 1.57 -0.73 0.00 0.00 179.01 180.05 1sym h LYS 5 N 0.64 0.54 0.00 1.92 2.10 -1.61 -2.45 116.57 117.70 1sym h LYS 5 Ca 0.17 -0.32 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1sym h LYS 5 Cb 0.06 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1sym h LYS 5 CO -0.03 0.92 0.00 0.00 -2.00 0.00 0.00 179.45 178.35 1sym n ALA 6 N -2.51 0.00 -0.23 0.07 0.00 -0.94 -2.46 120.51 114.43 1sym n ALA 6 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1sym n ALA 6 Cb 0.58 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.09 1sym n ALA 6 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1sym h MET 7 N 0.00 -0.06 -0.44 0.00 1.85 -0.40 0.48 114.93 116.35 1sym h MET 7 Ca 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1sym h MET 7 Cb 0.00 0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.02 1sym h MET 7 CO 0.00 -0.04 0.22 0.28 -0.40 0.00 0.00 176.91 176.97 1sym h VAL 8 N -0.06 1.15 -0.93 -5.77 2.07 -1.49 -1.36 116.25 109.86 1sym h VAL 8 Ca 0.30 -0.42 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1sym h VAL 8 Cb 0.53 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 1sym h VAL 8 CO -0.71 0.17 0.60 0.00 0.02 0.00 0.00 177.57 177.65 1sym h ALA 9 N 1.62 1.60 0.16 1.67 0.00 0.27 -1.35 119.26 123.23 1sym h ALA 9 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sym h ALA 9 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sym h ALA 9 CO -0.02 0.21 -0.13 1.25 0.00 0.00 0.00 179.25 180.55 1sym h LEU 10 N 0.93 -0.34 -1.30 0.00 6.46 -0.76 -0.89 115.31 119.41 1sym h LEU 10 Ca 0.44 0.03 0.26 0.00 -0.12 0.00 0.00 57.88 58.49 1sym h LEU 10 Cb 0.42 0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 40.37 1sym h LEU 10 CO -0.20 -0.21 0.66 0.40 -0.62 0.00 0.00 178.44 178.47 1sym h ILE 11 N -0.30 0.53 -0.16 4.05 5.03 -1.22 0.13 117.51 125.57 1sym h ILE 11 Ca -0.00 -0.15 0.04 0.00 -0.12 0.00 0.00 64.86 64.63 1sym h ILE 11 Cb 0.28 0.06 -0.04 0.00 -3.03 0.00 0.00 36.82 34.09 1sym h ILE 11 CO -0.02 0.08 -0.10 -0.78 -0.68 0.00 0.00 178.15 176.65 1sym h ASP 12 N 0.43 -0.31 -1.02 1.72 3.58 -0.64 -0.94 116.42 119.24 1sym h ASP 12 Ca 0.60 0.07 0.25 0.00 0.42 0.00 0.00 57.03 58.37 1sym h ASP 12 Cb 1.45 0.17 -0.09 0.00 1.72 0.00 0.00 39.33 42.57 1sym h ASP 12 CO -0.32 -0.13 0.65 0.58 -2.88 0.00 0.00 179.24 177.14 1sym h VAL 13 N -0.09 0.56 -0.60 2.25 2.07 -0.53 0.14 116.25 120.05 1sym h VAL 13 Ca 0.09 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1sym h VAL 13 Cb 0.23 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 1sym h VAL 13 CO -0.22 0.08 0.36 0.15 0.02 0.00 0.00 177.57 177.96 1sym h PHE 14 N 0.44 0.66 -0.00 1.57 3.04 -1.08 0.05 116.94 121.62 1sym h PHE 14 Ca 0.58 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.55 1sym h PHE 14 Cb 1.40 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1sym h PHE 14 CO -0.00 0.36 -0.03 1.58 -2.02 0.00 0.00 178.31 178.20 1sym n HIS 15 N -4.76 0.00 0.08 0.41 -0.00 0.37 -1.65 115.22 109.67 1sym n HIS 15 Ca 0.06 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.23 1sym n HIS 15 Cb 0.10 -0.36 -0.04 0.00 -0.12 0.00 0.00 29.99 29.57 1sym n HIS 15 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1sym h GLN 16 N 0.04 0.00 0.00 1.57 1.08 0.26 -3.27 115.11 114.79 1sym h GLN 16 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1sym h GLN 16 Cb 0.38 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 1sym h GLN 16 CO 0.00 0.53 -1.61 0.66 -0.95 0.00 0.00 178.83 177.46 1sym n TYR 17 N -3.14 0.00 -0.08 2.96 4.02 -0.89 -4.32 117.16 115.71 1sym n TYR 17 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.76 1sym n TYR 17 Cb 0.82 -0.56 -0.05 0.00 -0.02 0.00 0.00 39.34 39.53 1sym n TYR 17 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1sym h SER 18 N -0.67 -1.34 -0.54 7.72 0.87 -1.47 -1.40 113.55 116.72 1sym h SER 18 Ca -0.33 0.20 0.07 0.00 -1.23 0.00 0.00 61.79 60.51 1sym h SER 18 Cb 1.18 0.58 -0.10 0.00 -0.44 0.00 0.00 62.40 63.62 1sym h SER 18 CO -0.20 -0.38 -0.48 1.23 -0.53 0.00 0.00 176.83 176.47 1sym h GLY 19 N -0.38 -0.65 0.00 5.77 0.00 -1.74 -3.22 103.07 102.85 1sym h GLY 19 Ca 0.12 0.62 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1sym h GLY 19 CO -0.50 -0.14 0.00 0.54 0.00 0.00 0.00 176.54 176.44 1sym n ARG 20 N -5.39 0.00 -0.31 4.80 1.74 -0.57 -4.89 116.66 112.04 1sym n ARG 20 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1sym n ARG 20 Cb 0.34 -0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 1sym n ARG 20 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1sym n GLU 21 N 0.00 2.96 0.00 5.56 0.00 -0.95 -5.02 120.64 123.19 1sym n GLU 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1sym n GLU 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sym n GLY 22 N 5.00 0.13 1.14 -1.84 0.00 -1.26 -4.16 105.19 104.19 1sym n GLY 22 Ca 0.00 -0.93 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.25 0.37 0.08 1.61 9.92 -1.20 -5.00 116.55 122.08 1sym n ASP 23 Ca 0.00 -1.32 -0.13 0.00 -0.53 0.00 0.00 54.79 52.81 1sym n ASP 23 Cb 0.00 -0.20 -0.06 0.00 -0.64 0.00 0.00 41.12 40.22 1sym n ASP 23 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1sym h LYS 24 N 0.00 0.35 -0.15 -1.24 1.79 -1.88 -3.39 116.57 112.04 1sym h LYS 24 Ca -0.10 -0.42 -0.19 0.00 -2.18 0.00 0.00 60.65 57.76 1sym h LYS 24 Cb 0.36 0.13 -0.31 0.00 -1.58 0.00 0.00 32.23 30.83 1sym h LYS 24 CO 0.10 1.11 -0.80 0.72 -1.08 0.00 0.00 179.45 179.51 1sym n HIS 25 N -3.69 0.04 -4.05 -1.35 8.25 -1.26 -4.41 115.22 108.75 1sym n HIS 25 Ca -0.07 -1.31 -0.13 0.00 -0.26 0.00 0.00 57.72 55.95 1sym n HIS 25 Cb 0.88 0.26 -0.13 0.00 1.12 0.00 0.00 29.99 32.12 1sym n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1sym s LYS 26 N -1.31 0.39 -0.06 -0.41 1.02 -1.26 -4.81 119.74 113.30 1sym s LYS 26 Ca 0.21 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 55.79 1sym s LYS 26 Cb 0.31 -0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1sym s LYS 26 CO -0.09 0.05 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.04 1sym s LEU 27 N -0.90 2.52 0.72 3.17 2.96 -1.20 -3.22 118.68 122.74 1sym s LEU 27 Ca -0.06 -0.31 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 1sym s LEU 27 Cb -0.06 -1.51 0.10 0.00 0.50 0.00 0.00 46.19 45.22 1sym s LEU 27 CO -0.00 0.29 1.01 -0.54 -1.32 0.00 0.00 176.35 175.79 1sym s LYS 28 N -0.39 1.83 0.28 1.98 1.02 -1.26 0.91 119.74 124.10 1sym s LYS 28 Ca 0.04 -0.71 0.26 0.00 0.02 0.00 0.00 55.97 55.57 1sym s LYS 28 Cb -0.12 -2.24 0.85 0.00 -0.52 0.00 0.00 37.83 35.79 1sym s LYS 28 CO 0.02 -1.40 1.75 1.57 -0.92 0.00 0.00 175.35 176.37 1sym h LYS 29 N -0.60 0.00 0.15 1.68 2.10 -1.57 -0.15 116.57 118.18 1sym h LYS 29 Ca -0.41 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.04 1sym h LYS 29 Cb 1.28 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.63 1sym h LYS 29 CO 0.48 0.00 -0.92 0.77 -2.00 0.00 0.00 179.45 177.77 1sym h SER 30 N 0.00 0.50 1.69 7.07 0.02 -1.82 -1.10 113.55 119.90 1sym h SER 30 Ca 0.00 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1sym h SER 30 Cb 0.64 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1sym h SER 30 CO 0.00 1.44 -0.04 -0.08 -1.14 0.00 0.00 176.83 177.01 1sym h GLU 31 N -0.32 0.00 0.21 3.45 4.81 -1.91 -2.91 114.58 117.91 1sym h GLU 31 Ca -0.17 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.79 1sym h GLU 31 Cb 1.70 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.11 1sym h GLU 31 CO 0.16 0.00 -1.22 1.25 -0.73 0.00 0.00 179.01 178.46 1sym h LEU 32 N 0.00 0.69 -0.65 1.64 5.85 -1.05 0.03 115.31 121.83 1sym h LEU 32 Ca 0.00 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 57.80 1sym h LEU 32 Cb 0.86 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1sym h LEU 32 CO 0.00 1.59 0.42 0.50 -0.34 0.00 0.00 178.44 180.61 1sym h LYS 33 N -0.07 0.81 -0.17 1.25 3.64 -1.18 -1.61 116.57 119.24 1sym h LYS 33 Ca -0.22 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.94 1sym h LYS 33 Cb 1.96 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.59 1sym h LYS 33 CO 0.22 0.54 -0.61 1.05 -2.27 0.00 0.00 179.45 178.38 1sym h GLU 34 N 0.83 0.59 -0.87 1.90 4.11 -1.57 -2.10 114.58 117.47 1sym h GLU 34 Ca 0.25 -0.40 0.17 0.00 0.07 0.00 0.00 59.36 59.45 1sym h GLU 34 Cb -0.04 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1sym h GLU 34 CO -0.08 1.02 0.43 1.25 0.07 0.00 0.00 179.01 181.71 1sym h LEU 35 N 0.44 0.48 0.00 3.06 7.12 -0.04 0.85 115.31 127.23 1sym h LEU 35 Ca -0.01 0.11 -0.01 0.00 0.13 0.00 0.00 57.88 58.10 1sym h LEU 35 Cb 1.18 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1sym h LEU 35 CO 0.12 0.16 -0.12 0.40 -0.13 0.00 0.00 178.44 178.87 1sym h ILE 36 N 0.56 0.46 0.00 4.05 2.04 -1.31 -2.90 117.51 120.42 1sym h ILE 36 Ca 0.50 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1sym h ILE 36 Cb 0.79 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1sym h ILE 36 CO -0.41 0.16 0.00 -3.20 0.00 0.00 0.00 178.15 174.69 1sym n ASN 37 N -4.71 0.00 0.00 1.72 2.85 -0.80 -1.46 115.26 112.87 1sym n ASN 37 Ca -0.05 -0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.07 1sym n ASN 37 Cb 0.17 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.16 1sym n ASN 37 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1sym n ASN 38 N -1.04 0.00 -0.17 1.20 5.15 0.29 -4.36 115.26 116.34 1sym n ASN 38 Ca 0.10 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.06 1sym n ASN 38 Cb 0.05 -0.07 0.06 0.00 -0.53 0.00 0.00 39.78 39.29 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 0.00 0.04 0.00 1.20 4.39 -1.61 -3.38 114.58 115.21 1sym h GLU 39 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sym h GLU 39 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1sym h GLU 39 CO 0.00 0.03 0.00 1.28 -1.16 0.00 0.00 179.01 179.16 1sym n LEU 40 N -5.33 0.00 0.00 1.33 4.77 -0.97 -4.85 117.00 111.95 1sym n LEU 40 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1sym n LEU 40 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1sym n LEU 40 CO 0.11 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.63 1sym n SER 41 N 0.00 0.00 0.14 -1.43 3.41 -0.53 -4.65 113.62 110.56 1sym n SER 41 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1sym n SER 41 Cb 0.00 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.47 1sym n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1sym n HIS 42 N 0.00 0.81 -1.92 7.33 8.25 -1.26 -2.72 115.22 125.71 1sym n HIS 42 Ca 0.00 0.34 -0.33 0.00 -0.26 0.00 0.00 57.72 57.47 1sym n HIS 42 Cb 0.00 -1.05 0.04 0.00 1.12 0.00 0.00 29.99 30.09 1sym n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sym n PHE 43 N -2.26 3.11 -0.14 4.41 3.01 -1.26 -4.41 117.46 119.92 1sym n PHE 43 Ca 0.01 -2.67 0.00 0.00 1.01 0.00 0.00 57.45 55.80 1sym n PHE 43 Cb 0.18 -0.85 0.00 0.00 -0.01 0.00 0.00 39.48 38.80 1sym n PHE 43 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1sym n LEU 44 N -0.65 0.23 -1.43 4.37 -0.00 -1.10 -4.68 117.00 113.74 1sym n LEU 44 Ca 0.51 -0.43 0.08 0.00 -0.00 0.00 0.00 56.01 56.17 1sym n LEU 44 Cb 0.57 0.00 0.33 0.00 -0.00 0.00 0.00 43.42 44.32 1sym n LEU 44 CO 0.52 0.06 0.79 -1.84 -0.00 0.00 0.00 177.39 176.92 1sym n GLU 45 N -0.40 3.85 -3.16 1.96 0.28 -1.26 -4.71 120.64 117.21 1sym n GLU 45 Ca 0.00 -2.91 -0.15 0.00 -0.16 0.00 0.00 57.16 53.94 1sym n GLU 45 Cb 0.03 -1.96 -0.05 0.00 1.43 0.00 0.00 31.44 30.89 1sym n GLU 45 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1sym s GLU 46 N -2.36 0.88 -0.16 3.44 1.03 -1.26 -5.09 118.70 115.19 1sym s GLU 46 Ca 0.48 -1.31 -0.14 0.00 0.03 0.00 0.00 54.97 54.04 1sym s GLU 46 Cb 0.35 -0.67 0.04 0.00 -0.80 0.00 0.00 34.13 33.04 1sym s GLU 46 CO 0.17 -1.30 0.41 0.42 -1.33 0.00 0.00 175.26 173.63 1sym s ILE 47 N 0.82 -0.00 -0.06 1.83 1.09 -1.25 -4.28 121.20 119.34 1sym s ILE 47 Ca 0.26 0.01 0.22 0.00 -1.10 0.00 0.00 60.65 60.04 1sym s ILE 47 Cb -0.03 -0.58 -0.31 0.00 -1.06 0.00 0.00 42.46 40.48 1sym s ILE 47 CO -0.09 0.01 0.47 1.17 -0.10 0.00 0.00 174.94 176.40 1sym n LYS 48 N 3.06 0.66 -1.97 2.79 4.81 -1.20 -4.57 118.16 121.73 1sym n LYS 48 Ca -0.15 -0.16 -0.42 0.00 -0.87 0.00 0.00 58.31 56.72 1sym n LYS 48 Cb 0.57 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1sym n LYS 48 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sym n GLU 49 N -2.34 3.30 0.25 1.64 -0.58 -1.26 -4.71 120.64 116.93 1sym n GLU 49 Ca -0.07 -3.01 0.17 0.00 -0.42 0.00 0.00 57.16 53.84 1sym n GLU 49 Cb 0.63 -3.08 0.80 0.00 -0.57 0.00 0.00 31.44 29.22 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 5.77 0.00 0.13 3.49 4.15 -1.95 0.20 115.11 126.91 1sym h GLN 50 Ca 0.52 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.66 1sym h GLN 50 Cb 0.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1sym h GLN 50 CO 1.76 0.00 -1.25 0.93 -1.93 0.00 0.00 178.83 178.34 1sym h GLU 51 N 0.00 0.27 -0.08 1.69 5.08 -1.94 -0.14 114.58 119.45 1sym h GLU 51 Ca 0.07 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1sym h GLU 51 Cb 0.80 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1sym h GLU 51 CO -0.00 1.22 -0.06 0.28 -1.00 0.00 0.00 179.01 179.44 1sym h VAL 52 N 0.07 1.35 0.03 3.13 2.07 -0.97 0.50 116.25 122.43 1sym h VAL 52 Ca -0.14 -1.16 -0.22 0.00 0.82 0.00 0.00 66.70 66.00 1sym h VAL 52 Cb 1.97 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 33.68 1sym h VAL 52 CO 0.20 0.33 -0.97 0.58 0.02 0.00 0.00 177.57 177.73 1sym h VAL 53 N -0.21 1.47 0.00 2.57 2.07 -1.57 -3.00 116.25 117.57 1sym h VAL 53 Ca 0.02 -2.67 0.00 0.00 0.82 0.00 0.00 66.70 64.86 1sym h VAL 53 Cb 0.55 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1sym h VAL 53 CO 0.02 0.78 -0.01 -0.67 0.02 0.00 0.00 177.57 177.71 1sym n ASP 54 N -3.65 0.77 0.13 0.57 -0.08 -0.06 -1.31 116.55 112.91 1sym n ASP 54 Ca -0.05 0.56 -0.22 0.00 -1.51 0.00 0.00 54.79 53.57 1sym n ASP 54 Cb 0.86 -0.76 -0.15 0.00 2.34 0.00 0.00 41.12 43.41 1sym n ASP 54 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1sym h LYS 55 N 0.00 0.45 0.05 -0.67 3.11 0.12 0.25 116.57 119.87 1sym h LYS 55 Ca 0.00 -0.76 -0.25 0.00 -2.81 0.00 0.00 60.65 56.83 1sym h LYS 55 Cb 0.72 0.28 -0.02 0.00 -1.00 0.00 0.00 32.23 32.22 1sym h LYS 55 CO 0.00 1.36 -1.20 -0.39 -2.81 0.00 0.00 179.45 176.41 1sym h VAL 56 N 0.12 1.51 0.00 2.00 -1.51 -1.53 -2.72 116.25 114.12 1sym h VAL 56 Ca -0.22 -3.18 -0.07 0.00 -1.23 0.00 0.00 66.70 62.00 1sym h VAL 56 Cb 2.11 2.83 -0.01 0.00 -2.13 0.00 0.00 31.29 34.08 1sym h VAL 56 CO 0.25 0.89 -0.34 -0.03 -1.23 0.00 0.00 177.57 177.11 1sym h MET 57 N 0.03 0.00 0.15 5.19 1.85 -1.26 -1.28 114.93 119.61 1sym h MET 57 Ca -0.10 0.00 -0.21 0.00 -0.61 0.00 0.00 59.70 58.78 1sym h MET 57 Cb 1.88 0.00 0.02 0.00 0.43 0.00 0.00 31.60 33.93 1sym h MET 57 CO 0.15 0.34 -0.92 1.05 -0.40 0.00 0.00 176.91 177.13 1sym h GLU 58 N 0.00 0.32 0.00 0.39 4.11 -0.50 -1.36 114.58 117.54 1sym h GLU 58 Ca -0.00 -0.55 -0.10 0.00 0.07 0.00 0.00 59.36 58.77 1sym h GLU 58 Cb 1.17 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1sym h GLU 58 CO 0.04 1.26 -0.50 1.15 0.07 0.00 0.00 179.01 181.04 1sym h THR 59 N -0.32 1.22 0.22 -1.06 2.02 -1.54 0.48 112.91 113.92 1sym h THR 59 Ca -0.16 -1.80 -0.01 0.00 0.77 0.00 0.00 66.41 65.21 1sym h THR 59 Cb 1.70 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 1sym h THR 59 CO 0.16 0.49 -0.10 -0.07 0.37 0.00 0.00 175.52 176.36 1sym h LEU 60 N 0.00 -0.25 -0.01 2.58 3.38 -1.27 -3.12 115.31 116.63 1sym h LEU 60 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1sym h LEU 60 Cb 0.97 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1sym h LEU 60 CO 0.06 0.21 -0.02 -0.67 0.09 0.00 0.00 178.44 178.11 1sym n ASP 61 N -5.02 0.03 0.08 -0.43 2.03 -0.51 -2.56 116.55 110.17 1sym n ASP 61 Ca -0.09 0.27 -0.04 0.00 0.52 0.00 0.00 54.79 55.46 1sym n ASP 61 Cb 0.26 -0.40 -0.02 0.00 -0.72 0.00 0.00 41.12 40.24 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 0.02 -0.22 0.00 -0.67 4.81 0.02 -3.41 114.58 115.12 1sym h GLU 62 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1sym h GLU 62 Cb 0.44 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1sym h GLU 62 CO 0.00 -0.15 -0.26 0.22 -0.73 0.00 0.00 179.01 178.09 1sym h ASP 63 N -0.46 0.00 0.00 1.04 1.82 -1.69 -3.48 116.42 113.66 1sym h ASP 63 Ca -0.02 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1sym h ASP 63 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1sym h ASP 63 CO 0.04 0.70 0.00 0.61 -1.61 0.00 0.00 179.24 178.98 1sym n GLY 64 N 1.69 2.80 2.41 -0.78 0.00 -1.06 -4.88 105.19 105.37 1sym n GLY 64 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 1.08 -4.11 1.61 2.03 -1.26 -4.07 116.55 111.83 1sym n ASP 65 Ca 0.00 -2.81 -0.08 0.00 0.52 0.00 0.00 54.79 52.42 1sym n ASP 65 Cb 0.00 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.66 1sym n ASP 65 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sym s GLY 66 N -1.08 0.60 0.07 0.27 0.00 -1.26 -5.00 107.32 100.93 1sym s GLY 66 Ca 0.34 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 1sym s GLY 66 CO -0.13 -1.34 0.28 -0.54 0.00 0.00 0.00 173.10 171.38 1sym s GLU 67 N -3.95 3.53 0.38 2.90 8.01 -1.26 -1.49 118.70 126.83 1sym s GLU 67 Ca 0.11 -0.23 0.04 0.00 0.01 0.00 0.00 54.97 54.90 1sym s GLU 67 Cb 0.08 -2.98 -0.04 0.00 -4.31 0.00 0.00 34.13 26.88 1sym s GLU 67 CO -0.07 0.57 0.09 0.00 0.01 0.00 0.00 175.26 175.86 1sym n ASP 69 N -1.04 0.38 -0.11 0.00 8.00 -1.26 -3.20 116.55 119.31 1sym n ASP 69 Ca -0.06 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.21 1sym n ASP 69 Cb 0.66 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.65 1sym n ASP 69 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sym n PHE 70 N 0.00 0.76 0.33 1.24 3.01 -1.26 -3.15 117.46 118.39 1sym n PHE 70 Ca 0.00 0.33 0.14 0.00 1.01 0.00 0.00 57.45 58.92 1sym n PHE 70 Cb 0.00 -1.06 0.59 0.00 -0.01 0.00 0.00 39.48 39.01 1sym n PHE 70 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1sym h GLN 71 N -1.00 0.00 0.00 -1.08 4.20 -1.98 0.60 115.11 115.85 1sym h GLN 71 Ca -0.42 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.29 1sym h GLN 71 Cb 1.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.12 1sym h GLN 71 CO -0.25 0.00 -0.10 0.93 -0.67 0.00 0.00 178.83 178.74 1sym h GLU 72 N 0.00 0.00 0.00 1.46 5.08 -1.97 -1.18 114.58 117.97 1sym h GLU 72 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sym h GLU 72 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1sym h GLU 72 CO 0.00 0.10 -0.02 0.35 -1.00 0.00 0.00 179.01 178.44 1sym h PHE 73 N -1.00 0.00 0.00 4.33 3.04 -1.49 0.15 116.94 121.97 1sym h PHE 73 Ca -0.01 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1sym h PHE 73 Cb 0.19 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.70 1sym h PHE 73 CO -0.01 0.02 -0.07 0.52 -2.02 0.00 0.00 178.31 176.76 1sym h MET 74 N 0.00 0.00 0.00 1.11 2.86 -0.95 -2.83 114.93 115.12 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 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1sym h MET 74 CO 0.00 0.50 0.00 0.00 1.06 0.00 0.00 176.91 178.47 1sym n ALA 75 N -2.76 1.56 0.05 6.32 0.00 -0.44 -2.36 120.51 122.87 1sym n ALA 75 Ca -0.06 0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 1sym n ALA 75 Cb 0.26 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 1sym n ALA 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sym h PHE 76 N 0.00 0.53 0.00 0.00 -1.00 -0.76 -2.77 116.94 112.94 1sym h PHE 76 Ca 0.00 -0.39 -0.02 0.00 2.81 0.00 0.00 57.97 60.37 1sym h PHE 76 Cb 0.27 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 1sym h PHE 76 CO 0.00 1.30 -0.11 0.28 -1.61 0.00 0.00 178.31 178.17 1sym h VAL 77 N -0.39 0.79 0.00 -0.55 2.07 -1.20 -2.92 116.25 114.05 1sym h VAL 77 Ca -0.14 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1sym h VAL 77 Cb 1.62 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1sym h VAL 77 CO 0.15 0.11 -0.07 0.28 0.02 0.00 0.00 177.57 178.06 1sym h SER 78 N 0.00 0.05 -0.91 0.57 0.02 -1.55 -2.04 113.55 109.68 1sym h SER 78 Ca -0.00 -0.85 0.19 0.00 -0.84 0.00 0.00 61.79 60.29 1sym h SER 78 Cb 0.25 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.66 1sym h SER 78 CO 0.01 0.90 0.47 0.24 -1.14 0.00 0.00 176.83 177.32 1sym h MET 79 N -0.78 0.55 0.19 3.45 2.07 -1.30 0.23 114.93 119.33 1sym h MET 79 Ca -0.01 -0.03 -0.25 0.00 -2.07 0.00 0.00 59.70 57.34 1sym h MET 79 Cb 0.91 -0.12 0.03 0.00 -1.87 0.00 0.00 31.60 30.54 1sym h MET 79 CO 0.01 0.37 -1.11 -0.39 1.07 0.00 0.00 176.91 176.86 1sym h VAL 80 N 0.57 1.40 0.00 -2.22 -1.51 -1.61 0.32 116.25 113.20 1sym h VAL 80 Ca 0.54 -2.59 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 1sym h VAL 80 Cb 0.91 3.12 0.00 0.00 -2.13 0.00 0.00 31.29 33.19 1sym h VAL 80 CO -0.44 0.75 0.00 0.41 -1.23 0.00 0.00 177.57 177.07 1sym n THR 81 N -3.95 0.42 -1.78 7.19 -1.04 -0.77 -2.93 114.28 111.41 1sym n THR 81 Ca -0.16 0.10 0.01 0.00 -2.04 0.00 0.00 64.05 61.96 1sym n THR 81 Cb 0.94 -0.78 0.01 0.00 -1.82 0.00 0.00 70.33 68.68 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 -1.30 0.14 -0.10 12.58 -2.24 0.75 -4.88 114.28 119.23 1sym n THR 82 Ca 0.09 -0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1sym n THR 82 Cb 0.16 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.05 0.00 6.98 0.00 -0.22 -3.48 119.26 122.49 1sym h ALA 83 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sym h ALA 83 Cb 1.31 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1sym h ALA 83 CO 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 178.61 1sym n HIS 85 N 5.42 -0.14 -2.73 0.00 -0.00 -1.26 -3.26 115.22 113.26 1sym n HIS 85 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 1sym n HIS 85 Cb 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 29.99 30.01 1sym n HIS 85 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1sym s GLU 86 N 0.00 3.80 -0.16 1.57 2.12 -1.26 -4.69 118.70 120.08 1sym s GLU 86 Ca 0.00 -1.80 0.17 0.00 0.36 0.00 0.00 54.97 53.70 1sym s GLU 86 Cb 0.00 -5.25 0.47 0.00 0.26 0.00 0.00 34.13 29.61 1sym s GLU 86 CO 0.00 -2.03 1.36 1.97 -0.54 0.00 0.00 175.26 176.01 1sym n PHE 87 N 7.57 0.72 -0.24 5.30 -1.74 -1.26 -4.45 117.46 123.38 1sym n PHE 87 Ca 0.36 -0.88 0.00 0.00 -0.56 0.00 0.00 57.45 56.37 1sym n PHE 87 Cb 0.48 -0.26 0.00 0.00 1.52 0.00 0.00 39.48 41.21 1sym n PHE 87 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1sym n PHE 88 N -0.63 0.00 -4.16 2.97 3.01 -1.26 -4.98 117.46 112.41 1sym n PHE 88 Ca 0.19 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.31 1sym n PHE 88 Cb 0.81 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.23 1sym n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1sym n GLU 89 N -0.26 -1.14 0.11 -1.08 2.13 -1.26 -4.81 120.64 114.33 1sym n GLU 89 Ca 0.00 0.15 -0.02 0.00 0.66 0.00 0.00 57.16 57.95 1sym n GLU 89 Cb 0.06 -3.47 0.06 0.00 0.27 0.00 0.00 31.44 28.36 1sym n GLU 89 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 1sym h HIS 90 N -2.04 0.00 0.00 4.31 2.07 -1.95 -3.55 115.15 113.99 1sym h HIS 90 Ca -0.67 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.85 1sym h HIS 90 Cb 1.40 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.38 1sym h HIS 90 CO 0.46 0.73 0.00 -1.91 -3.07 0.00 0.00 177.93 174.14