#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 1.22 0.06 7.83 1.04 -1.26 -5.05 113.70 117.54 1sym s SER 1 Ca 0.00 -1.47 -0.06 0.00 0.48 0.00 0.00 55.95 54.89 1sym s SER 1 Cb 0.00 0.31 -0.30 0.00 0.10 0.00 0.00 66.02 66.13 1sym s SER 1 CO 0.00 -0.83 1.09 -0.33 0.98 0.00 0.00 173.24 174.15 1sym h GLU 2 N 2.33 0.32 0.00 4.02 4.39 -2.04 -3.14 114.58 120.47 1sym h GLU 2 Ca -0.35 -0.55 -0.02 0.00 0.34 0.00 0.00 59.36 58.78 1sym h GLU 2 Cb 1.25 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.11 1sym h GLU 2 CO 0.55 1.26 -0.07 1.25 -1.16 0.00 0.00 179.01 180.84 1sym h LEU 3 N 0.09 0.06 -1.27 1.33 5.85 -1.97 -1.37 115.31 118.02 1sym h LEU 3 Ca -0.17 -0.84 0.06 0.00 0.84 0.00 0.00 57.88 57.77 1sym h LEU 3 Cb 2.02 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.98 1sym h LEU 3 CO 0.21 0.89 0.52 -0.08 -0.34 0.00 0.00 178.44 179.64 1sym h GLU 4 N -0.77 0.86 0.00 1.25 4.22 -1.98 0.32 114.58 118.48 1sym h GLU 4 Ca -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1sym h GLU 4 Cb 0.90 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sym h GLU 4 CO 0.01 0.57 -0.08 0.87 -2.18 0.00 0.00 179.01 178.21 1sym h LYS 5 N 0.89 0.00 0.53 1.92 1.57 -1.62 -3.05 116.57 116.81 1sym h LYS 5 Ca 0.34 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1sym h LYS 5 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1sym h LYS 5 CO -0.12 0.64 -0.26 0.00 -0.57 0.00 0.00 179.45 179.15 1sym h ALA 6 N -0.39 -0.72 -0.13 3.86 0.00 -1.18 -0.49 119.26 120.22 1sym h ALA 6 Ca -0.02 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1sym h ALA 6 Cb 0.67 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1sym h ALA 6 CO -0.01 -0.73 -0.35 1.98 0.00 0.00 0.00 179.25 180.14 1sym h MET 7 N -1.07 -0.41 -0.04 0.00 1.85 -0.51 0.41 114.93 115.14 1sym h MET 7 Ca -0.07 0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 1sym h MET 7 Cb 0.62 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 32.74 1sym h MET 7 CO 0.12 -0.28 -0.04 0.28 -0.40 0.00 0.00 176.91 176.60 1sym h VAL 8 N -0.43 1.06 -0.40 -5.77 2.07 -1.54 -2.13 116.25 109.11 1sym h VAL 8 Ca 0.09 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1sym h VAL 8 Cb 0.58 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1sym h VAL 8 CO -0.37 0.07 0.23 0.00 0.02 0.00 0.00 177.57 177.53 1sym h ALA 9 N 1.91 0.51 -0.95 1.67 0.00 0.79 -1.70 119.26 121.49 1sym h ALA 9 Ca 0.01 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1sym h ALA 9 Cb 0.11 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 1sym h ALA 9 CO 0.01 0.01 0.54 1.25 0.00 0.00 0.00 179.25 181.06 1sym h LEU 10 N 0.52 0.69 -0.90 0.00 6.46 -0.65 0.42 115.31 121.85 1sym h LEU 10 Ca 0.14 0.09 0.04 0.00 -0.12 0.00 0.00 57.88 58.04 1sym h LEU 10 Cb 0.02 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 39.87 1sym h LEU 10 CO -0.03 0.26 0.58 0.40 -0.62 0.00 0.00 178.44 179.03 1sym h ILE 11 N 0.72 1.12 -0.12 4.05 5.03 -1.28 -2.15 117.51 124.88 1sym h ILE 11 Ca 0.53 -0.38 0.04 0.00 -0.12 0.00 0.00 64.86 64.94 1sym h ILE 11 Cb 0.79 -0.07 -0.05 0.00 -3.03 0.00 0.00 36.82 34.45 1sym h ILE 11 CO -0.37 0.20 -0.22 -0.78 -0.68 0.00 0.00 178.15 176.30 1sym h ASP 12 N 1.10 -0.67 -1.20 1.72 3.58 0.17 0.11 116.42 121.23 1sym h ASP 12 Ca 0.37 0.11 0.35 0.00 0.42 0.00 0.00 57.03 58.28 1sym h ASP 12 Cb 0.06 0.30 -0.10 0.00 1.72 0.00 0.00 39.33 41.30 1sym h ASP 12 CO -0.14 -0.27 0.79 0.58 -2.88 0.00 0.00 179.24 177.32 1sym h VAL 13 N -0.28 0.33 0.03 2.25 2.07 -1.01 0.39 116.25 120.01 1sym h VAL 13 Ca 0.10 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1sym h VAL 13 Cb 0.42 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1sym h VAL 13 CO -0.28 0.04 -0.01 0.15 0.02 0.00 0.00 177.57 177.48 1sym h PHE 14 N 0.21 -0.03 0.00 1.57 3.04 -0.68 -0.51 116.94 120.53 1sym h PHE 14 Ca 0.70 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.64 1sym h PHE 14 Cb 2.10 0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.62 1sym h PHE 14 CO -0.00 -0.01 0.00 1.58 -2.02 0.00 0.00 178.31 177.85 1sym n HIS 15 N -5.10 0.00 -0.04 0.41 -0.00 0.12 -2.85 115.22 107.76 1sym n HIS 15 Ca -0.07 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.98 1sym n HIS 15 Cb 0.05 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 29.81 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 -0.03 -2.03 1.57 5.75 0.56 -3.41 115.11 117.52 1sym h GLN 16 Ca 0.00 0.00 -0.54 0.00 -0.15 0.00 0.00 58.65 57.96 1sym h GLN 16 Cb 0.00 0.01 -0.40 0.00 1.07 0.00 0.00 27.48 28.16 1sym h GLN 16 CO 0.00 0.69 -1.07 2.48 -2.65 0.00 0.00 178.83 178.28 1sym n TYR 17 N -4.73 0.31 0.00 3.99 0.18 -1.18 -4.83 117.16 110.90 1sym n TYR 17 Ca -0.09 -3.70 0.00 0.00 1.88 0.00 0.00 57.90 56.00 1sym n TYR 17 Cb 0.36 -0.39 0.00 0.00 -0.38 0.00 0.00 39.34 38.92 1sym n TYR 17 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1sym n SER 18 N 1.00 2.91 0.02 9.48 2.88 -1.13 -4.64 113.62 124.14 1sym n SER 18 Ca 0.23 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.88 1sym n SER 18 Cb 0.55 0.14 -0.10 0.00 -0.75 0.00 0.00 64.21 64.04 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 2.54 -1.14 0.11 0.46 0.00 -1.26 -3.34 105.19 102.56 1sym n GLY 19 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 0.26 0.00 1.61 3.08 -1.86 -3.40 114.38 114.07 1sym h ARG 20 Ca 0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1sym h ARG 20 Cb 0.93 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1sym h ARG 20 CO 0.00 1.09 0.00 -1.91 -1.07 0.00 0.00 179.97 178.08 1sym n GLU 21 N -4.31 0.00 0.00 0.04 2.13 -1.26 -4.91 120.64 112.33 1sym n GLU 21 Ca -0.11 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1sym n GLU 21 Cb 0.66 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 31.54 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sym n GLY 22 N 2.13 -0.68 0.75 8.31 0.00 -1.21 -5.03 105.19 109.46 1sym n GLY 22 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.80 1sym n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sym n ASP 23 N 0.00 1.32 0.00 1.61 2.03 -1.23 -4.80 116.55 115.48 1sym n ASP 23 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1sym n ASP 23 Cb 0.00 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1sym n ASP 23 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1sym n LYS 24 N -3.75 0.00 -1.13 -0.67 4.81 -1.23 -4.22 118.16 111.98 1sym n LYS 24 Ca -0.04 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.36 1sym n LYS 24 Cb 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.18 1sym n LYS 24 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1sym n HIS 25 N -0.67 0.00 -4.19 5.64 -0.00 -1.26 -4.94 115.22 109.80 1sym n HIS 25 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1sym n HIS 25 Cb 0.00 -1.87 -0.10 0.00 -0.00 0.00 0.00 29.99 28.02 1sym n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1sym s LYS 26 N -2.03 1.14 0.00 1.57 1.02 -1.26 -4.64 119.74 115.55 1sym s LYS 26 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.40 1sym s LYS 26 Cb 0.00 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1sym s LYS 26 CO 0.00 -0.36 0.00 1.28 -0.92 0.00 0.00 175.35 175.35 1sym n LEU 27 N -0.23 0.00 -4.03 3.17 7.99 -0.36 -4.78 117.00 118.76 1sym n LEU 27 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 1sym n LEU 27 Cb 0.65 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.90 1sym n LEU 27 CO 0.32 0.00 0.11 -0.75 -1.51 0.00 0.00 177.39 175.57 1sym s LYS 28 N -0.55 1.49 0.26 3.23 2.20 -1.26 -2.32 119.74 122.79 1sym s LYS 28 Ca 0.00 -1.30 0.14 0.00 -0.36 0.00 0.00 55.97 54.45 1sym s LYS 28 Cb 0.00 0.44 0.06 0.00 -1.51 0.00 0.00 37.83 36.82 1sym s LYS 28 CO 0.00 -0.60 1.44 0.87 -0.36 0.00 0.00 175.35 176.69 1sym h LYS 29 N 2.31 0.00 0.21 4.03 1.79 -1.68 -0.27 116.57 122.96 1sym h LYS 29 Ca -0.28 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 57.88 1sym h LYS 29 Cb 1.25 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.93 1sym h LYS 29 CO 0.38 0.57 -1.40 0.66 -1.08 0.00 0.00 179.45 178.58 1sym h SER 30 N 0.00 0.69 1.62 0.86 4.64 -1.79 -0.87 113.55 118.70 1sym h SER 30 Ca -0.01 -0.74 -0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1sym h SER 30 Cb 1.42 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1sym h SER 30 CO 0.07 1.58 -0.38 -0.08 -0.87 0.00 0.00 176.83 177.15 1sym h GLU 31 N 0.12 0.00 0.20 4.77 4.81 -1.89 -2.99 114.58 119.59 1sym h GLU 31 Ca -0.21 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.70 1sym h GLU 31 Cb 2.10 0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.50 1sym h GLU 31 CO 0.25 0.01 -1.44 1.25 -0.73 0.00 0.00 179.01 178.34 1sym h LEU 32 N 0.00 0.65 -1.21 1.64 5.85 -1.07 -0.78 115.31 120.39 1sym h LEU 32 Ca -0.00 -0.74 -0.05 0.00 0.84 0.00 0.00 57.88 57.93 1sym h LEU 32 Cb 1.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1sym h LEU 32 CO 0.00 1.59 -0.04 0.50 -0.34 0.00 0.00 178.44 180.15 1sym h LYS 33 N 0.11 0.49 0.20 1.25 3.64 -1.18 -2.51 116.57 118.58 1sym h LYS 33 Ca -0.23 -0.11 -0.27 0.00 -1.27 0.00 0.00 60.65 58.77 1sym h LYS 33 Cb 2.09 -0.07 0.03 0.00 -0.41 0.00 0.00 32.23 33.87 1sym h LYS 33 CO 0.23 0.55 -1.17 1.05 -2.27 0.00 0.00 179.45 177.84 1sym h GLU 34 N 0.47 0.42 -0.72 1.90 4.11 -1.56 -1.70 114.58 117.50 1sym h GLU 34 Ca 0.10 -0.72 0.14 0.00 0.07 0.00 0.00 59.36 58.95 1sym h GLU 34 Cb 0.37 0.27 -0.14 0.00 0.50 0.00 0.00 28.75 29.75 1sym h GLU 34 CO 0.02 1.34 -0.22 1.25 0.07 0.00 0.00 179.01 181.47 1sym h LEU 35 N -0.11 -0.79 0.00 3.06 7.12 -0.81 1.75 115.31 125.53 1sym h LEU 35 Ca -0.21 0.23 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 1sym h LEU 35 Cb 1.92 0.49 0.00 0.00 -0.53 0.00 0.00 40.66 42.53 1sym h LEU 35 CO 0.21 -0.26 -0.02 0.40 -0.13 0.00 0.00 178.44 178.65 1sym h ILE 36 N -0.03 1.75 0.07 4.05 2.04 -1.54 -3.13 117.51 120.71 1sym h ILE 36 Ca 0.33 -2.21 -0.00 0.00 1.00 0.00 0.00 64.86 63.98 1sym h ILE 36 Cb 0.54 3.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 1sym h ILE 36 CO -0.75 0.58 -0.03 -1.13 0.00 0.00 0.00 178.15 176.81 1sym h ASN 37 N -0.92 -0.07 -0.51 1.72 -0.73 -0.65 0.49 115.58 114.90 1sym h ASN 37 Ca -0.00 0.00 0.15 0.00 1.87 0.00 0.00 56.30 58.32 1sym h ASN 37 Cb 0.96 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1sym h ASN 37 CO 0.00 0.00 0.92 -1.13 -0.37 0.00 0.00 177.43 176.85 1sym h ASN 38 N -0.20 0.00 0.00 1.15 -1.24 0.25 0.21 115.58 115.75 1sym h ASN 38 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1sym h ASN 38 Cb 0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.12 1sym h ASN 38 CO 0.01 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 175.53 1sym n GLU 39 N -3.07 0.00 0.07 6.67 -0.58 -0.99 -4.73 120.64 118.02 1sym n GLU 39 Ca 0.11 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.93 1sym n GLU 39 Cb 1.09 -0.10 0.37 0.00 -0.57 0.00 0.00 31.44 32.23 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 -1.72 0.34 -0.35 -4.62 4.77 0.16 -3.00 117.00 112.58 1sym n LEU 40 Ca 0.00 0.60 0.04 0.00 -0.03 0.00 0.00 56.01 56.63 1sym n LEU 40 Cb 0.00 -0.58 0.20 0.00 -2.33 0.00 0.00 43.42 40.71 1sym n LEU 40 CO 0.00 -0.52 1.23 -1.28 -1.33 0.00 0.00 177.39 175.50 1sym h SER 41 N 0.00 0.94 0.06 -1.43 0.87 0.12 0.25 113.55 114.36 1sym h SER 41 Ca 0.00 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1sym h SER 41 Cb 0.21 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1sym h SER 41 CO 0.00 0.55 -0.05 0.45 -0.53 0.00 0.00 176.83 177.26 1sym h HIS 42 N 1.04 0.00 -0.14 2.24 3.86 -1.71 -1.24 115.15 119.21 1sym h HIS 42 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1sym h HIS 42 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1sym h HIS 42 CO -0.01 0.05 0.00 0.34 0.86 0.00 0.00 177.93 179.16 1sym n PHE 43 N -4.23 0.16 -4.63 2.45 7.35 0.18 -4.90 117.46 113.84 1sym n PHE 43 Ca -0.03 -0.09 -0.33 0.00 -0.76 0.00 0.00 57.45 56.24 1sym n PHE 43 Cb 0.13 -0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.82 1sym n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1sym s LEU 44 N -1.59 2.77 0.00 -2.13 0.20 0.64 -4.92 118.68 113.64 1sym s LEU 44 Ca 0.28 -0.33 0.00 0.00 0.69 0.00 0.00 54.13 54.77 1sym s LEU 44 Cb 0.18 -1.64 0.00 0.00 -0.43 0.00 0.00 46.19 44.30 1sym s LEU 44 CO 0.26 0.14 0.51 -1.84 -0.29 0.00 0.00 176.35 175.14 1sym n GLU 45 N 3.70 0.00 0.05 1.98 0.28 -1.26 -4.81 120.64 120.57 1sym n GLU 45 Ca -0.18 -0.32 0.00 0.00 -0.16 0.00 0.00 57.16 56.50 1sym n GLU 45 Cb 0.52 0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.61 1sym n GLU 45 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1sym n GLU 46 N 0.00 0.00 -2.78 3.44 -0.58 -1.26 -5.12 120.64 114.34 1sym n GLU 46 Ca -0.09 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.62 1sym n GLU 46 Cb 0.45 -0.15 -0.02 0.00 -0.57 0.00 0.00 31.44 31.14 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1sym n ILE 47 N -3.01 -9.37 -0.06 -3.67 5.41 -1.25 -4.88 119.36 102.53 1sym n ILE 47 Ca 0.00 1.81 -0.13 0.00 1.00 0.00 0.00 62.75 65.44 1sym n ILE 47 Cb 0.09 -5.53 -0.14 0.00 -0.71 0.00 0.00 39.64 33.35 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 1.58 0.68 -2.25 0.38 0.00 -0.24 -4.48 118.16 113.82 1sym n LYS 48 Ca -0.20 0.16 -0.42 0.00 0.00 0.00 0.00 58.31 57.85 1sym n LYS 48 Cb 0.36 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.75 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 -3.04 3.74 -0.25 1.64 -0.58 -1.22 -4.76 120.64 116.16 1sym n GLU 49 Ca -0.30 -3.47 0.32 0.00 -0.42 0.00 0.00 57.16 53.30 1sym n GLU 49 Cb 1.08 -2.89 0.61 0.00 -0.57 0.00 0.00 31.44 29.67 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 5.57 0.00 0.01 3.49 5.75 -1.89 0.62 115.11 128.66 1sym h GLN 50 Ca 0.45 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.81 1sym h GLN 50 Cb 0.58 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.14 1sym h GLN 50 CO 1.62 0.00 -0.55 1.49 -2.65 0.00 0.00 178.83 178.74 1sym h GLU 51 N 0.00 0.36 0.50 1.69 4.81 -1.96 -0.51 114.58 119.48 1sym h GLU 51 Ca 0.52 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1sym h GLU 51 Cb 2.62 0.11 0.00 0.00 0.63 0.00 0.00 28.75 32.12 1sym h GLU 51 CO -0.01 1.08 -0.24 0.28 -0.73 0.00 0.00 179.01 179.39 1sym h VAL 52 N -0.19 0.50 0.00 0.32 2.07 -0.15 0.20 116.25 119.00 1sym h VAL 52 Ca -0.07 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 1sym h VAL 52 Cb 1.28 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1sym h VAL 52 CO 0.11 0.02 -0.32 0.58 0.02 0.00 0.00 177.57 177.98 1sym h VAL 53 N -0.74 1.14 0.00 2.57 2.07 -1.53 -1.77 116.25 117.99 1sym h VAL 53 Ca -0.07 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1sym h VAL 53 Cb 0.55 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1sym h VAL 53 CO 0.11 0.31 -0.15 -0.78 0.02 0.00 0.00 177.57 177.08 1sym h ASP 54 N 0.00 0.00 0.00 0.57 3.58 -0.74 -0.79 116.42 119.04 1sym h ASP 54 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1sym h ASP 54 Cb 0.59 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 1sym h ASP 54 CO 0.04 0.15 -0.13 0.50 -2.88 0.00 0.00 179.24 176.92 1sym h LYS 55 N 0.00 0.00 -0.13 0.28 3.11 0.24 -2.06 116.57 118.01 1sym h LYS 55 Ca -0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 1sym h LYS 55 Cb 0.91 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.14 1sym h LYS 55 CO 0.02 0.84 -0.09 -0.39 -2.81 0.00 0.00 179.45 177.01 1sym h VAL 56 N -1.00 1.34 0.00 2.00 -1.51 -1.49 -2.21 116.25 113.38 1sym h VAL 56 Ca -0.03 -1.20 -0.00 0.00 -1.23 0.00 0.00 66.70 64.24 1sym h VAL 56 Cb 0.88 1.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1sym h VAL 56 CO -0.02 0.35 -0.00 -0.03 -1.23 0.00 0.00 177.57 176.63 1sym h MET 57 N -0.09 0.00 0.29 5.19 1.85 -1.30 -1.67 114.93 119.21 1sym h MET 57 Ca 0.02 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1sym h MET 57 Cb 0.59 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.62 1sym h MET 57 CO 0.02 0.00 -0.14 0.93 -0.40 0.00 0.00 176.91 177.33 1sym h GLU 58 N 0.00 -0.38 -0.89 0.39 5.08 -0.76 -1.33 114.58 116.69 1sym h GLU 58 Ca -0.00 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1sym h GLU 58 Cb 0.15 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1sym h GLU 58 CO 0.00 -0.10 0.59 1.15 -1.00 0.00 0.00 179.01 179.65 1sym h THR 59 N -1.01 1.16 0.17 1.13 2.02 -1.24 0.89 112.91 116.03 1sym h THR 59 Ca -0.04 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1sym h THR 59 Cb 0.45 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1sym h THR 59 CO 0.07 0.21 -0.31 -0.07 0.37 0.00 0.00 175.52 175.79 1sym h LEU 60 N 1.13 -0.86 -0.06 2.58 3.38 -1.32 -0.03 115.31 120.11 1sym h LEU 60 Ca 0.35 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1sym h LEU 60 Cb 0.01 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1sym h LEU 60 CO -0.10 -0.40 -0.01 -0.67 0.09 0.00 0.00 178.44 177.34 1sym n ASP 61 N -5.41 0.10 0.10 -0.43 2.03 -0.51 -2.06 116.55 110.38 1sym n ASP 61 Ca -0.07 -0.74 -0.01 0.00 0.52 0.00 0.00 54.79 54.49 1sym n ASP 61 Cb 0.32 -0.09 0.25 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.15 0.24 0.00 -0.67 4.81 0.28 -3.43 114.58 115.96 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 0.13 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1sym h GLU 62 CO 0.00 0.58 0.00 -3.47 -0.73 0.00 0.00 179.01 175.39 1sym n ASP 63 N -4.07 0.00 0.00 1.04 2.03 -1.19 -5.02 116.55 109.34 1sym n ASP 63 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1sym n ASP 63 Cb 0.44 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 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 -0.08 3.10 2.88 0.27 0.00 -0.87 -4.92 105.19 105.58 1sym n GLY 64 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1sym n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sym s ASP 65 N -1.15 4.46 0.26 1.61 -1.08 -1.26 -2.36 116.67 117.14 1sym s ASP 65 Ca 0.00 -3.52 0.03 0.00 -0.52 0.00 0.00 52.55 48.54 1sym s ASP 65 Cb 0.00 -1.55 -0.01 0.00 -1.46 0.00 0.00 42.92 39.90 1sym s ASP 65 CO 0.00 -0.14 0.28 0.61 0.52 0.00 0.00 175.17 176.44 1sym n GLY 66 N 2.41 2.85 3.15 2.66 0.00 -1.26 -4.93 105.19 110.07 1sym n GLY 66 Ca 0.16 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.86 2.75 0.39 1.61 2.02 -1.26 -3.13 118.70 118.22 1sym s GLU 67 Ca 0.27 -0.76 0.08 0.00 0.02 0.00 0.00 54.97 54.57 1sym s GLU 67 Cb 0.01 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 32.02 1sym s GLU 67 CO 0.19 0.05 0.26 0.00 0.02 0.00 0.00 175.26 175.79 1sym n ASP 69 N -1.36 0.07 0.07 0.00 8.00 -1.26 -1.23 116.55 120.84 1sym n ASP 69 Ca 0.00 -1.05 -0.18 0.00 0.71 0.00 0.00 54.79 54.26 1sym n ASP 69 Cb 0.62 -0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.56 1sym n ASP 69 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1sym h PHE 70 N -0.04 0.53 0.00 1.24 -0.00 -1.95 -3.11 116.94 113.61 1sym h PHE 70 Ca -0.01 -0.39 0.00 0.00 -0.00 0.00 0.00 57.97 57.57 1sym h PHE 70 Cb 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 35.97 1sym h PHE 70 CO 0.00 1.45 -0.08 0.00 -0.00 0.00 0.00 178.31 179.69 1sym n GLN 71 N -3.49 0.21 -0.03 6.09 10.64 -1.26 -2.43 117.38 127.11 1sym n GLN 71 Ca -0.18 0.16 -0.15 0.00 -1.83 0.00 0.00 57.00 54.99 1sym n GLN 71 Cb 1.05 -1.73 -0.13 0.00 -0.86 0.00 0.00 30.24 28.58 1sym n GLN 71 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1sym h GLU 72 N 0.00 0.10 0.00 2.61 4.39 -1.95 -1.05 114.58 118.68 1sym h GLU 72 Ca 0.00 -0.14 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 1sym h GLU 72 Cb 0.69 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1sym h GLU 72 CO 0.00 1.00 -0.44 0.35 -1.16 0.00 0.00 179.01 178.76 1sym h PHE 73 N -0.73 0.00 -0.05 4.33 3.57 -1.60 -0.19 116.94 122.27 1sym h PHE 73 Ca -0.03 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1sym h PHE 73 Cb 1.09 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.83 1sym h PHE 73 CO 0.23 0.44 -0.36 0.52 -2.23 0.00 0.00 178.31 176.90 1sym h MET 74 N 0.00 0.33 0.00 1.11 2.86 -1.52 -2.20 114.93 115.50 1sym h MET 74 Ca -0.00 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1sym h MET 74 Cb 0.77 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1sym h MET 74 CO 0.06 0.95 0.00 0.00 1.06 0.00 0.00 176.91 178.98 1sym h ALA 75 N 0.38 1.00 0.21 6.32 0.00 -1.08 -2.92 119.26 123.17 1sym h ALA 75 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1sym h ALA 75 Cb 1.04 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.85 1sym h ALA 75 CO 0.07 0.00 -1.39 0.74 0.00 0.00 0.00 179.25 178.67 1sym h PHE 76 N 0.00 0.79 0.00 0.00 -1.00 -0.93 -3.12 116.94 112.69 1sym h PHE 76 Ca 0.00 -0.58 -0.07 0.00 2.81 0.00 0.00 57.97 60.13 1sym h PHE 76 Cb 0.55 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.07 1sym h PHE 76 CO 0.00 1.45 -0.36 0.28 -1.61 0.00 0.00 178.31 178.08 1sym h VAL 77 N 0.12 0.96 0.00 -0.55 2.07 -1.22 -2.67 116.25 114.96 1sym h VAL 77 Ca -0.21 -1.38 -0.10 0.00 0.82 0.00 0.00 66.70 65.83 1sym h VAL 77 Cb 2.10 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.66 1sym h VAL 77 CO 0.25 0.35 -0.49 0.28 0.02 0.00 0.00 177.57 177.98 1sym h SER 78 N 0.00 0.00 0.03 0.57 0.02 -1.56 -1.55 113.55 111.07 1sym h SER 78 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1sym h SER 78 Cb 0.78 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1sym h SER 78 CO 0.05 0.49 -0.02 0.24 -1.14 0.00 0.00 176.83 176.45 1sym h MET 79 N 0.00 -0.04 -0.31 3.45 2.07 -1.41 -1.80 114.93 116.89 1sym h MET 79 Ca -0.00 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.47 1sym h MET 79 Cb 1.18 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.92 1sym h MET 79 CO 0.06 0.41 -0.42 -0.39 1.07 0.00 0.00 176.91 177.64 1sym h VAL 80 N -0.52 1.29 0.00 -2.22 -1.51 -1.59 0.55 116.25 112.25 1sym h VAL 80 Ca -0.00 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 63.86 1sym h VAL 80 Cb 0.48 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1sym h VAL 80 CO 0.01 0.52 0.00 0.41 -1.23 0.00 0.00 177.57 177.28 1sym n THR 81 N -4.11 1.26 0.20 7.19 -1.04 -0.58 -1.89 114.28 115.30 1sym n THR 81 Ca -0.04 0.31 0.02 0.00 -2.04 0.00 0.00 64.05 62.31 1sym n THR 81 Cb 0.56 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.91 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 -1.50 0.00 -1.53 12.58 -2.24 -0.68 -4.69 114.28 116.21 1sym n THR 82 Ca 0.03 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1sym n THR 82 Cb 0.13 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.22 6.74 -2.60 6.98 0.00 0.19 -4.88 120.51 125.71 1sym n ALA 83 Ca 0.01 -3.23 -0.27 0.00 0.00 0.00 0.00 53.44 49.94 1sym n ALA 83 Cb 0.09 -2.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.87 1sym n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sym s HIS 85 N -2.98 3.53 -0.90 0.00 2.46 -1.26 -4.14 115.29 111.99 1sym s HIS 85 Ca 0.25 0.34 -0.07 0.00 0.47 0.00 0.00 55.06 56.06 1sym s HIS 85 Cb 0.06 -1.83 -0.01 0.00 -0.13 0.00 0.00 32.58 30.68 1sym s HIS 85 CO 0.13 0.59 0.72 0.39 -2.47 0.00 0.00 174.74 174.09 1sym n GLU 86 N 0.49 -1.41 0.00 2.88 1.02 -1.26 -4.61 120.64 117.76 1sym n GLU 86 Ca -0.07 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1sym n GLU 86 Cb 0.52 -4.34 0.00 0.00 -0.02 0.00 0.00 31.44 27.59 1sym n GLU 86 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sym n PHE 87 N -2.83 -0.31 -3.45 -0.32 7.35 -1.26 -4.65 117.46 111.99 1sym n PHE 87 Ca -0.12 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.38 1sym n PHE 87 Cb 0.59 0.06 -0.12 0.00 0.35 0.00 0.00 39.48 40.37 1sym n PHE 87 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 1sym s PHE 88 N 0.00 -0.27 0.00 -5.13 -0.71 -1.26 -4.75 117.98 105.87 1sym s PHE 88 Ca 0.00 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 55.70 1sym s PHE 88 Cb 0.00 -0.51 0.00 0.00 -1.21 0.00 0.00 43.02 41.30 1sym s PHE 88 CO 0.00 -0.81 0.00 -1.91 -1.34 0.00 0.00 175.22 171.16 1sym n GLU 89 N 5.30 0.00 -2.99 1.99 0.00 -1.26 -5.05 120.64 118.63 1sym n GLU 89 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 56.98 1sym n GLU 89 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.92 1sym n GLU 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1sym n HIS 90 N -0.90 -1.20 -0.71 4.31 -0.00 -1.26 -5.17 115.22 110.29 1sym n HIS 90 Ca 0.00 -3.06 0.00 0.00 0.46 0.00 0.00 57.72 55.12 1sym n HIS 90 Cb 0.00 0.47 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89