#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 0.97 -0.05 3.17 0.15 -1.26 -5.04 113.70 111.64 1sym s SER 1 Ca 0.00 -1.11 -0.17 0.00 0.70 0.00 0.00 55.95 55.37 1sym s SER 1 Cb 0.00 0.15 -0.12 0.00 -1.71 0.00 0.00 66.02 64.34 1sym s SER 1 CO 0.00 -0.57 0.69 -0.08 1.20 0.00 0.00 173.24 174.48 1sym h GLU 2 N 2.85 -0.30 -0.72 5.44 4.57 -2.04 -2.19 114.58 122.17 1sym h GLU 2 Ca -0.36 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1sym h GLU 2 Cb 1.19 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 1sym h GLU 2 CO 0.63 -0.00 0.37 1.25 -1.18 0.00 0.00 179.01 180.08 1sym h LEU 3 N -0.99 0.92 0.32 1.64 5.85 -1.98 -1.61 115.31 119.47 1sym h LEU 3 Ca -0.03 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1sym h LEU 3 Cb 0.44 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1sym h LEU 3 CO 0.05 0.76 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.68 1sym h GLU 4 N 1.02 -0.42 -0.58 1.25 4.81 -1.98 0.29 114.58 118.97 1sym h GLU 4 Ca 0.25 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 1sym h GLU 4 Cb 0.07 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1sym h GLU 4 CO -0.04 -0.20 0.26 0.87 -0.73 0.00 0.00 179.01 179.18 1sym h LYS 5 N -0.56 0.83 0.00 1.92 1.57 -1.24 -1.28 116.57 117.82 1sym h LYS 5 Ca -0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1sym h LYS 5 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1sym h LYS 5 CO 0.07 0.65 0.00 0.00 -0.57 0.00 0.00 179.45 179.61 1sym n ALA 6 N -2.45 0.00 -0.20 3.86 0.00 -0.62 -2.43 120.51 118.67 1sym n ALA 6 Ca 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.44 1sym n ALA 6 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.15 -0.78 0.00 1.85 -0.53 0.56 114.93 115.88 1sym h MET 7 Ca 0.00 0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.18 1sym h MET 7 Cb 0.00 0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.01 1sym h MET 7 CO 0.00 -0.10 0.51 0.28 -0.40 0.00 0.00 176.91 177.20 1sym h VAL 8 N -0.16 0.99 -0.82 -5.77 2.07 -1.30 0.07 116.25 111.34 1sym h VAL 8 Ca 0.23 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.63 1sym h VAL 8 Cb 0.55 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1sym h VAL 8 CO -0.67 0.14 0.40 0.00 0.02 0.00 0.00 177.57 177.46 1sym h ALA 9 N 1.59 1.21 -0.30 1.67 0.00 0.47 0.44 119.26 124.35 1sym h ALA 9 Ca 0.35 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.42 1sym h ALA 9 Cb 0.34 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1sym h ALA 9 CO -0.13 -0.12 -0.18 1.25 0.00 0.00 0.00 179.25 180.07 1sym h LEU 10 N 0.57 -0.60 -1.01 0.00 6.46 -0.52 0.31 115.31 120.52 1sym h LEU 10 Ca 0.45 0.13 0.22 0.00 -0.12 0.00 0.00 57.88 58.56 1sym h LEU 10 Cb 0.64 0.31 -0.12 0.00 -0.73 0.00 0.00 40.66 40.77 1sym h LEU 10 CO -0.37 -0.22 0.60 0.40 -0.62 0.00 0.00 178.44 178.23 1sym h ILE 11 N -0.15 0.60 -0.41 4.05 5.03 -0.90 0.12 117.51 125.84 1sym h ILE 11 Ca 0.16 -0.22 0.09 0.00 -0.12 0.00 0.00 64.86 64.76 1sym h ILE 11 Cb 0.39 -0.11 -0.09 0.00 -3.03 0.00 0.00 36.82 33.99 1sym h ILE 11 CO -0.39 0.12 -0.17 -0.78 -0.68 0.00 0.00 178.15 176.25 1sym h ASP 12 N 0.65 -0.57 -0.76 1.72 1.82 0.12 0.31 116.42 119.72 1sym h ASP 12 Ca 0.62 0.15 0.13 0.00 -0.39 0.00 0.00 57.03 57.53 1sym h ASP 12 Cb 1.10 0.33 -0.05 0.00 0.68 0.00 0.00 39.33 41.39 1sym h ASP 12 CO -0.44 -0.20 0.50 0.58 -1.61 0.00 0.00 179.24 178.07 1sym h VAL 13 N -0.08 0.85 -0.61 2.25 2.07 -0.53 0.29 116.25 120.49 1sym h VAL 13 Ca 0.20 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 1sym h VAL 13 Cb 0.39 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1sym h VAL 13 CO -0.47 0.10 0.19 0.15 0.02 0.00 0.00 177.57 177.56 1sym h PHE 14 N 0.52 0.95 0.00 1.57 3.57 -0.15 -1.05 116.94 122.35 1sym h PHE 14 Ca 0.37 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1sym h PHE 14 Cb 0.69 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1sym h PHE 14 CO -0.00 0.76 0.00 1.58 -2.23 0.00 0.00 178.31 178.42 1sym n HIS 15 N -4.28 0.45 -0.08 0.41 -0.00 0.04 -1.01 115.22 110.75 1sym n HIS 15 Ca 0.05 0.15 -0.14 0.00 0.46 0.00 0.00 57.72 58.24 1sym n HIS 15 Cb 0.21 -0.74 -0.08 0.00 -0.12 0.00 0.00 29.99 29.25 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 0.00 1.57 5.75 -0.69 -0.50 115.11 121.24 1sym h GLN 16 Ca 0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1sym h GLN 16 Cb 0.48 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1sym h GLN 16 CO 0.00 0.65 -0.44 1.88 -2.65 0.00 0.00 178.83 178.27 1sym h TYR 17 N -1.00 0.00 -0.00 3.99 -1.99 -1.42 -3.00 116.97 113.55 1sym h TYR 17 Ca -0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1sym h TYR 17 Cb 0.92 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.65 1sym h TYR 17 CO 0.05 0.44 -0.88 0.45 -0.00 0.00 0.00 178.16 178.22 1sym n SER 18 N -3.36 1.00 0.04 3.88 2.88 -0.18 -4.28 113.62 113.60 1sym n SER 18 Ca 0.01 -1.00 -0.02 0.00 -1.33 0.00 0.00 58.87 56.53 1sym n SER 18 Cb 0.63 0.96 -0.08 0.00 -0.75 0.00 0.00 64.21 64.97 1sym n SER 18 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1sym h GLY 19 N 4.58 0.00 0.00 0.46 0.00 -1.04 -3.21 103.07 103.85 1sym h GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sym h GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1sym n ARG 20 N -3.01 2.66 0.00 4.80 1.74 -1.14 -4.90 116.66 116.81 1sym n ARG 20 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 1sym n ARG 20 Cb 0.87 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.31 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 0.00 0.00 5.56 0.00 -1.26 -4.38 120.64 120.56 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 0.00 0.67 0.07 -1.84 0.00 -1.26 -4.61 105.19 98.23 1sym n GLY 22 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 3.25 0.00 0.00 1.61 2.03 -1.26 -5.15 116.55 117.03 1sym n ASP 23 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1sym n ASP 23 Cb 0.00 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1sym n ASP 23 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1sym n LYS 24 N -0.80 0.00 -0.99 -0.67 2.85 -1.21 -4.68 118.16 112.66 1sym n LYS 24 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1sym n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1sym n LYS 24 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1sym n HIS 25 N -1.28 0.00 -3.93 5.58 -0.00 -1.26 -4.93 115.22 109.41 1sym n HIS 25 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 1sym n HIS 25 Cb 0.00 -1.47 -0.08 0.00 -0.00 0.00 0.00 29.99 28.44 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1sym s LYS 26 N -1.47 0.83 0.00 1.57 -2.85 -1.26 -4.51 119.74 112.05 1sym s LYS 26 Ca 0.00 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.92 1sym s LYS 26 Cb 0.00 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1sym s LYS 26 CO 0.00 -0.25 0.00 1.28 0.10 0.00 0.00 175.35 176.48 1sym n LEU 27 N -0.04 0.00 -3.87 2.77 7.99 -0.30 -4.74 117.00 118.80 1sym n LEU 27 Ca -0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.77 1sym n LEU 27 Cb 0.62 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.87 1sym n LEU 27 CO 0.24 0.00 0.02 -0.75 -1.51 0.00 0.00 177.39 175.39 1sym s LYS 28 N 0.67 1.11 0.32 3.23 2.20 -1.26 -1.71 119.74 124.29 1sym s LYS 28 Ca 0.00 -1.03 0.16 0.00 -0.36 0.00 0.00 55.97 54.74 1sym s LYS 28 Cb 0.00 0.40 0.46 0.00 -1.51 0.00 0.00 37.83 37.18 1sym s LYS 28 CO 0.00 -0.41 1.63 0.87 -0.36 0.00 0.00 175.35 177.08 1sym h LYS 29 N 2.52 0.00 0.17 4.03 1.79 -1.48 0.02 116.57 123.62 1sym h LYS 29 Ca -0.32 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 57.92 1sym h LYS 29 Cb 1.23 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.90 1sym h LYS 29 CO 0.48 0.49 -1.03 0.77 -1.08 0.00 0.00 179.45 179.08 1sym h SER 30 N 0.00 0.55 1.02 0.86 0.02 -1.82 -1.54 113.55 112.64 1sym h SER 30 Ca -0.00 -0.94 -0.07 0.00 -0.84 0.00 0.00 61.79 59.93 1sym h SER 30 Cb 1.07 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1sym h SER 30 CO 0.06 1.49 -0.35 -0.08 -1.14 0.00 0.00 176.83 176.82 1sym h GLU 31 N -0.24 0.00 0.03 3.45 4.81 -1.88 -2.17 114.58 118.58 1sym h GLU 31 Ca -0.19 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1sym h GLU 31 Cb 1.78 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.17 1sym h GLU 31 CO 0.17 0.35 -0.30 1.25 -0.73 0.00 0.00 179.01 179.75 1sym h LEU 32 N 0.00 0.21 -0.73 1.64 5.85 -1.04 0.89 115.31 122.14 1sym h LEU 32 Ca -0.00 -0.87 0.04 0.00 0.84 0.00 0.00 57.88 57.89 1sym h LEU 32 Cb 0.95 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1sym h LEU 32 CO 0.05 1.06 0.45 0.50 -0.34 0.00 0.00 178.44 180.15 1sym h LYS 33 N -0.60 0.83 -0.05 1.25 3.11 -1.26 -0.38 116.57 119.47 1sym h LYS 33 Ca -0.04 -0.05 -0.13 0.00 -2.81 0.00 0.00 60.65 57.61 1sym h LYS 33 Cb 1.13 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.16 1sym h LYS 33 CO 0.06 0.55 -0.58 1.05 -2.81 0.00 0.00 179.45 177.72 1sym h GLU 34 N 0.85 0.15 -0.77 1.90 -0.00 -1.44 -2.39 114.58 112.88 1sym h GLU 34 Ca 0.30 -0.10 0.05 0.00 -0.00 0.00 0.00 59.36 59.61 1sym h GLU 34 Cb 0.08 0.01 -0.05 0.00 -0.00 0.00 0.00 28.75 28.80 1sym h GLU 34 CO -0.14 0.69 0.50 1.25 -0.00 0.00 0.00 179.01 181.31 1sym h LEU 35 N 0.11 0.78 0.00 3.06 7.12 0.87 0.22 115.31 127.47 1sym h LEU 35 Ca -0.00 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 1sym h LEU 35 Cb 1.05 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 41.01 1sym h LEU 35 CO 0.08 0.52 -0.02 0.40 -0.13 0.00 0.00 178.44 179.29 1sym h ILE 36 N 0.89 0.51 0.49 4.05 2.04 -1.14 -3.13 117.51 121.23 1sym h ILE 36 Ca 0.32 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1sym h ILE 36 Cb 0.12 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1sym h ILE 36 CO -0.10 0.17 -0.24 -1.13 0.00 0.00 0.00 178.15 176.86 1sym h ASN 37 N -1.00 -0.56 -0.25 1.72 -0.73 -1.38 -0.35 115.58 113.03 1sym h ASN 37 Ca -0.00 0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.24 1sym h ASN 37 Cb 0.30 0.14 -0.08 0.00 0.27 0.00 0.00 38.32 38.96 1sym h ASN 37 CO -0.00 -0.29 -0.37 -1.13 -0.37 0.00 0.00 177.43 175.27 1sym h ASN 38 N -0.87 -1.18 0.00 1.15 -0.00 -0.78 -3.08 115.58 110.82 1sym h ASN 38 Ca -0.07 0.18 0.00 0.00 -0.00 0.00 0.00 56.30 56.41 1sym h ASN 38 Cb 0.50 0.51 0.00 0.00 -0.00 0.00 0.00 38.32 39.33 1sym h ASN 38 CO 0.11 -0.37 0.00 -0.62 -0.00 0.00 0.00 177.43 176.55 1sym n GLU 39 N -5.42 0.00 0.00 6.67 -0.58 -1.18 -4.73 120.64 115.40 1sym n GLU 39 Ca -0.02 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 1sym n GLU 39 Cb 0.34 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.24 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 -1.21 0.00 -4.49 -4.62 4.77 -0.18 -4.71 117.00 106.55 1sym n LEU 40 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.57 1sym n LEU 40 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1sym n LEU 40 CO 0.00 0.00 -0.17 -0.24 -1.33 0.00 0.00 177.39 175.65 1sym n SER 41 N 0.00 -1.73 -0.01 -1.43 2.88 -0.94 -4.74 113.62 107.65 1sym n SER 41 Ca 0.00 -1.22 0.03 0.00 -1.33 0.00 0.00 58.87 56.34 1sym n SER 41 Cb 0.00 -1.74 -0.06 0.00 -0.75 0.00 0.00 64.21 61.66 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 -4.15 0.00 -2.05 0.66 -0.00 -1.26 -4.65 115.22 103.77 1sym n HIS 42 Ca 0.07 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.83 1sym n HIS 42 Cb 0.48 -0.20 0.11 0.00 -0.00 0.00 0.00 29.99 30.38 1sym n HIS 42 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 1sym n PHE 43 N -1.84 0.17 -3.70 1.57 1.16 -1.26 -5.02 117.46 108.54 1sym n PHE 43 Ca -0.03 -1.13 -0.38 0.00 -1.87 0.00 0.00 57.45 54.04 1sym n PHE 43 Cb 0.28 -0.21 -0.12 0.00 -1.61 0.00 0.00 39.48 37.82 1sym n PHE 43 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 1sym s LEU 44 N -1.89 3.93 0.30 5.98 1.98 -1.26 -4.48 118.68 123.24 1sym s LEU 44 Ca 0.36 -0.50 0.00 0.00 -2.89 0.00 0.00 54.13 51.10 1sym s LEU 44 Cb 0.38 -1.96 0.00 0.00 0.66 0.00 0.00 46.19 45.27 1sym s LEU 44 CO -0.11 -0.16 0.00 -1.84 -1.89 0.00 0.00 176.35 172.35 1sym n GLU 45 N 4.95 0.00 -0.02 1.98 0.28 -1.26 -4.95 120.64 121.62 1sym n GLU 45 Ca -0.14 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.88 1sym n GLU 45 Cb 0.49 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.28 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 -3.41 0.94 -1.55 3.44 1.02 -1.26 -5.11 120.64 114.71 1sym n GLU 46 Ca 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1sym n GLU 46 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sym n ILE 47 N -2.05 -5.14 -0.01 -3.67 5.41 -1.26 -4.94 119.36 107.70 1sym n ILE 47 Ca -0.07 2.30 -0.02 0.00 1.00 0.00 0.00 62.75 65.97 1sym n ILE 47 Cb 0.47 -3.15 -0.01 0.00 -0.71 0.00 0.00 39.64 36.24 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 -0.50 0.09 -1.95 0.38 4.81 0.21 -4.71 118.16 116.50 1sym n LYS 48 Ca 0.00 0.04 -0.24 0.00 -0.87 0.00 0.00 58.31 57.24 1sym n LYS 48 Cb 0.00 -0.51 -0.06 0.00 0.02 0.00 0.00 35.03 34.48 1sym n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1sym s GLU 49 N -1.51 2.27 0.54 1.64 0.41 -1.26 -4.71 118.70 116.08 1sym s GLU 49 Ca -0.05 -0.46 0.27 0.00 -0.41 0.00 0.00 54.97 54.33 1sym s GLU 49 Cb 0.01 -5.07 1.55 0.00 -1.78 0.00 0.00 34.13 28.83 1sym s GLU 49 CO 0.08 -3.91 2.13 0.37 -0.49 0.00 0.00 175.26 173.43 1sym h GLN 50 N 11.05 0.00 0.09 1.61 4.15 -1.96 -1.89 115.11 128.15 1sym h GLN 50 Ca 0.11 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.27 1sym h GLN 50 Cb 0.98 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1sym h GLN 50 CO 1.17 0.08 -1.19 0.93 -1.93 0.00 0.00 178.83 177.89 1sym h GLU 51 N 0.00 0.18 -0.06 1.69 3.07 -1.96 -1.35 114.58 116.16 1sym h GLU 51 Ca -0.00 -0.31 -0.06 0.00 -0.50 0.00 0.00 59.36 58.50 1sym h GLU 51 Cb 0.23 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1sym h GLU 51 CO 0.01 1.13 -0.18 0.28 -1.40 0.00 0.00 179.01 178.85 1sym h VAL 52 N 0.05 1.44 0.00 3.13 2.07 -1.76 0.40 116.25 121.58 1sym h VAL 52 Ca -0.11 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.74 1sym h VAL 52 Cb 1.91 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.99 1sym h VAL 52 CO 0.18 0.44 -0.49 0.58 0.02 0.00 0.00 177.57 178.30 1sym h VAL 53 N -0.30 0.98 0.00 2.57 2.07 -1.49 -2.83 116.25 117.24 1sym h VAL 53 Ca -0.01 -1.97 -0.11 0.00 0.82 0.00 0.00 66.70 65.44 1sym h VAL 53 Cb 0.81 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1sym h VAL 53 CO 0.04 0.48 -0.57 -0.78 0.02 0.00 0.00 177.57 176.75 1sym h ASP 54 N 0.00 0.00 0.12 0.57 3.58 -1.23 -0.49 116.42 118.97 1sym h ASP 54 Ca -0.00 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.15 1sym h ASP 54 Cb 1.16 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.23 1sym h ASP 54 CO 0.06 0.50 -1.22 0.07 -2.88 0.00 0.00 179.24 175.77 1sym h LYS 55 N 0.00 0.63 0.11 0.28 2.10 -0.78 0.11 116.57 119.03 1sym h LYS 55 Ca -0.02 -0.82 -0.28 0.00 -2.00 0.00 0.00 60.65 57.54 1sym h LYS 55 Cb 1.39 0.27 -0.00 0.00 -0.90 0.00 0.00 32.23 32.99 1sym h LYS 55 CO 0.06 1.37 -1.29 -0.39 -2.00 0.00 0.00 179.45 177.20 1sym h VAL 56 N 0.29 1.44 0.00 0.07 -1.51 -1.58 -1.94 116.25 113.02 1sym h VAL 56 Ca -0.18 -3.04 -0.10 0.00 -1.23 0.00 0.00 66.70 62.16 1sym h VAL 56 Cb 1.89 2.89 -0.01 0.00 -2.13 0.00 0.00 31.29 33.93 1sym h VAL 56 CO 0.23 0.88 -0.46 -0.03 -1.23 0.00 0.00 177.57 176.97 1sym h MET 57 N 0.07 0.00 0.00 5.19 1.85 -1.15 -0.02 114.93 120.87 1sym h MET 57 Ca -0.15 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 1sym h MET 57 Cb 1.97 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 34.00 1sym h MET 57 CO 0.19 0.46 -0.01 0.93 -0.40 0.00 0.00 176.91 178.07 1sym h GLU 58 N 0.00 0.00 0.00 0.39 5.08 -0.77 -1.80 114.58 117.48 1sym h GLU 58 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1sym h GLU 58 Cb 1.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1sym h GLU 58 CO 0.06 0.99 -0.18 1.15 -1.00 0.00 0.00 179.01 180.03 1sym h THR 59 N -1.00 1.08 0.40 1.13 2.02 -1.39 0.82 112.91 115.97 1sym h THR 59 Ca -0.00 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1sym h THR 59 Cb 0.99 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1sym h THR 59 CO -0.00 0.17 -0.19 -0.07 0.37 0.00 0.00 175.52 175.80 1sym h LEU 60 N 0.00 -0.46 -0.04 2.58 3.38 -1.02 -2.95 115.31 116.80 1sym h LEU 60 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1sym h LEU 60 Cb 0.32 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sym h LEU 60 CO 0.02 -0.07 -0.00 -0.67 0.09 0.00 0.00 178.44 177.81 1sym n ASP 61 N -5.18 0.07 0.13 -0.43 2.03 -0.68 -2.76 116.55 109.72 1sym n ASP 61 Ca -0.10 -0.95 -0.20 0.00 0.52 0.00 0.00 54.79 54.06 1sym n ASP 61 Cb 0.29 -0.02 -0.15 0.00 -0.72 0.00 0.00 41.12 40.51 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 0.11 0.41 0.00 -0.67 4.81 0.83 -3.42 114.58 116.65 1sym h GLU 62 Ca 0.00 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 1sym h GLU 62 Cb 0.05 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1sym h GLU 62 CO 0.00 1.33 -0.15 -3.47 -0.73 0.00 0.00 179.01 175.99 1sym n ASP 63 N -3.62 0.37 0.00 1.04 2.03 -1.18 -4.99 116.55 110.21 1sym n ASP 63 Ca -0.13 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1sym n ASP 63 Cb 1.06 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 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 2.14 1.88 1.99 0.27 0.00 -1.11 -4.48 105.19 105.87 1sym n GLY 64 Ca -0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 3.19 5.10 -4.95 1.61 2.03 -1.26 -2.92 116.55 119.35 1sym n ASP 65 Ca 0.00 -3.16 -0.23 0.00 0.52 0.00 0.00 54.79 51.93 1sym n ASP 65 Cb 0.00 -0.73 -0.01 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 -0.97 1.40 0.04 0.27 0.00 -1.26 -4.94 107.32 101.86 1sym s GLY 66 Ca 0.55 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 44.22 1sym s GLY 66 CO 0.14 -0.99 0.10 -1.83 0.00 0.00 0.00 173.10 170.53 1sym s GLU 67 N -4.30 3.05 0.45 2.90 -1.05 -1.26 -1.96 118.70 116.53 1sym s GLU 67 Ca 0.42 -0.57 0.05 0.00 -0.15 0.00 0.00 54.97 54.72 1sym s GLU 67 Cb -0.10 -2.83 -0.04 0.00 -0.44 0.00 0.00 34.13 30.72 1sym s GLU 67 CO 0.35 0.61 0.09 0.00 0.95 0.00 0.00 175.26 177.25 1sym n ASP 69 N -1.20 2.33 0.09 0.00 8.00 -1.26 -1.15 116.55 123.35 1sym n ASP 69 Ca -0.08 -2.50 -0.12 0.00 0.71 0.00 0.00 54.79 52.79 1sym n ASP 69 Cb 0.66 -0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.56 0.31 0.00 1.24 -0.00 -1.94 -2.20 116.94 114.90 1sym h PHE 70 Ca -0.27 -0.22 -0.08 0.00 -0.00 0.00 0.00 57.97 57.40 1sym h PHE 70 Cb 1.03 -0.01 -0.01 0.00 -0.00 0.00 0.00 35.95 36.96 1sym h PHE 70 CO 0.00 1.17 -0.37 1.96 -0.00 0.00 0.00 178.31 181.08 1sym h GLN 71 N 0.05 0.00 0.07 6.09 4.20 -1.97 -1.91 115.11 121.64 1sym h GLN 71 Ca -0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1sym h GLN 71 Cb 1.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.67 1sym h GLN 71 CO 0.18 0.37 -0.03 0.93 -0.67 0.00 0.00 178.83 179.60 1sym h GLU 72 N 0.00 -0.09 0.00 1.46 5.08 -1.94 -1.82 114.58 117.26 1sym h GLU 72 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1sym h GLU 72 Cb 1.23 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1sym h GLU 72 CO 0.05 0.37 -0.08 0.27 -1.00 0.00 0.00 179.01 178.62 1sym h PHE 73 N -0.95 0.00 0.09 4.33 -0.00 -1.49 -0.21 116.94 118.71 1sym h PHE 73 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1sym h PHE 73 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.46 1sym h PHE 73 CO 0.12 0.08 -0.04 0.52 -0.00 0.00 0.00 178.31 178.98 1sym h MET 74 N 0.00 -0.11 0.00 6.09 2.86 -1.35 -2.13 114.93 120.29 1sym h MET 74 Ca -0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1sym h MET 74 Cb 0.20 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1sym h MET 74 CO 0.01 0.38 -0.03 0.00 1.06 0.00 0.00 176.91 178.33 1sym h ALA 75 N 0.11 1.03 -0.03 6.32 0.00 -0.98 -2.48 119.26 123.22 1sym h ALA 75 Ca -0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1sym h ALA 75 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sym h ALA 75 CO 0.02 0.04 -0.85 0.74 0.00 0.00 0.00 179.25 179.20 1sym h PHE 76 N 0.00 0.57 0.00 0.00 -1.00 -0.93 -2.75 116.94 112.82 1sym h PHE 76 Ca -0.00 -0.28 -0.08 0.00 2.81 0.00 0.00 57.97 60.41 1sym h PHE 76 Cb 0.45 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1sym h PHE 76 CO 0.00 1.08 -0.40 0.28 -1.61 0.00 0.00 178.31 177.66 1sym h VAL 77 N 0.24 0.89 0.15 -0.55 2.07 -0.92 -3.12 116.25 115.01 1sym h VAL 77 Ca -0.06 -1.62 -0.27 0.00 0.82 0.00 0.00 66.70 65.57 1sym h VAL 77 Cb 1.46 1.99 0.03 0.00 -1.52 0.00 0.00 31.29 33.25 1sym h VAL 77 CO 0.15 0.39 -1.15 0.28 0.02 0.00 0.00 177.57 177.26 1sym h SER 78 N 0.00 0.75 -0.70 0.57 0.02 -1.45 -1.63 113.55 111.11 1sym h SER 78 Ca -0.00 -0.87 -0.02 0.00 -0.84 0.00 0.00 61.79 60.06 1sym h SER 78 Cb 0.96 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1sym h SER 78 CO 0.05 1.55 0.37 0.24 -1.14 0.00 0.00 176.83 177.91 1sym h MET 79 N 0.06 0.98 0.22 3.45 2.07 -1.50 -2.53 114.93 117.68 1sym h MET 79 Ca -0.19 -0.12 -0.32 0.00 -2.07 0.00 0.00 59.70 57.00 1sym h MET 79 Cb 1.86 -0.19 0.03 0.00 -1.87 0.00 0.00 31.60 31.43 1sym h MET 79 CO 0.22 0.74 -1.41 -0.39 1.07 0.00 0.00 176.91 177.14 1sym h VAL 80 N 0.96 1.34 0.00 -2.22 -1.51 -1.64 -2.39 116.25 110.80 1sym h VAL 80 Ca 0.24 -2.80 0.00 0.00 -1.23 0.00 0.00 66.70 62.92 1sym h VAL 80 Cb 0.05 3.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 1sym h VAL 80 CO -0.04 0.83 0.00 0.41 -1.23 0.00 0.00 177.57 177.54 1sym n THR 81 N -3.67 0.90 -0.03 7.19 -1.04 -0.61 -2.35 114.28 114.67 1sym n THR 81 Ca -0.14 0.22 -0.01 0.00 -2.04 0.00 0.00 64.05 62.08 1sym n THR 81 Cb 1.08 -1.05 -0.07 0.00 -1.82 0.00 0.00 70.33 68.47 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 -1.34 0.42 0.00 12.58 -2.24 -0.96 -4.84 114.28 117.90 1sym n THR 82 Ca 0.04 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1sym n THR 82 Cb 0.09 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym n ALA 83 N -2.17 0.00 -0.24 6.98 0.00 -0.90 -4.87 120.51 119.31 1sym n ALA 83 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1sym n ALA 83 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.43 0.00 -0.50 0.00 -0.00 -1.26 0.66 115.22 113.69 1sym n HIS 85 Ca 0.00 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 1sym n HIS 85 Cb 0.00 0.13 0.07 0.00 -0.12 0.00 0.00 29.99 30.07 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 -2.44 1.74 0.00 1.57 1.02 -1.26 -4.92 120.64 116.36 1sym n GLU 86 Ca 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.53 1sym n GLU 86 Cb 0.27 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 -0.08 0.00 0.00 -0.32 -0.00 -1.26 -4.07 117.46 111.73 1sym n PHE 87 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.77 1sym n PHE 87 Cb 0.87 0.03 0.00 0.00 -0.00 0.00 0.00 39.48 40.38 1sym n PHE 87 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1sym n PHE 88 N 4.23 0.00 0.00 -5.13 3.72 -1.26 -4.78 117.46 114.24 1sym n PHE 88 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1sym n PHE 88 Cb 0.00 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.81 0.00 0.00 -1.08 4.07 -1.26 -4.75 120.64 116.81 1sym n GLU 89 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1sym n GLU 89 Cb 0.00 -0.22 0.00 0.00 -0.06 0.00 0.00 31.44 31.16 1sym n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1sym n HIS 90 N -2.21 0.00 -1.20 4.31 1.44 -1.26 -4.84 115.22 111.47 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