#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fav h ILE 11 N 0.00 0.33 -0.24 -0.61 2.04 -1.96 -0.97 117.51 116.11 3fav h ILE 11 Ca 0.00 -0.29 -0.20 0.00 1.00 0.00 0.00 64.86 65.37 3fav h ILE 11 Cb 0.00 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3fav h ILE 11 CO 0.00 0.05 -0.62 -0.33 0.00 0.00 0.00 178.15 177.24 3fav h GLU 12 N 0.00 0.83 -0.23 2.37 5.08 -1.94 -2.33 114.58 118.36 3fav h GLU 12 Ca -0.00 -0.57 0.01 0.00 -1.00 0.00 0.00 59.36 57.79 3fav h GLU 12 Cb 0.21 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3fav h GLU 12 CO 0.01 1.20 0.13 0.00 -1.00 0.00 0.00 179.01 179.35 3fav h ALA 13 N 0.67 0.29 0.54 3.43 0.00 -1.66 -2.39 119.26 120.13 3fav h ALA 13 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fav h ALA 13 Cb 1.24 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.97 3fav h ALA 13 CO 0.13 -0.26 -0.26 0.00 0.00 0.00 0.00 179.25 178.86 3fav h ALA 14 N 1.10 -0.72 -1.15 0.00 0.00 -1.24 -1.29 119.26 115.96 3fav h ALA 14 Ca 0.09 -0.19 0.33 0.00 0.00 0.00 0.00 54.91 55.14 3fav h ALA 14 Cb -0.00 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 3fav h ALA 14 CO -0.04 -0.82 0.75 0.00 0.00 0.00 0.00 179.25 179.14 3fav h ALA 15 N -0.54 2.51 -0.15 0.00 0.00 -1.39 -1.01 119.26 118.68 3fav h ALA 15 Ca -0.07 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3fav h ALA 15 Cb 0.62 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fav h ALA 15 CO 0.12 -0.97 -0.46 1.03 0.00 0.00 0.00 179.25 178.97 3fav h SER 16 N 0.25 0.67 -0.69 0.00 0.87 -0.74 -2.66 113.55 111.26 3fav h SER 16 Ca 0.66 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3fav h SER 16 Cb 1.93 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.66 3fav h SER 16 CO -0.29 1.14 0.44 0.00 -0.53 0.00 0.00 176.83 177.60 3fav h ALA 17 N 0.54 0.87 0.00 6.23 0.00 -0.21 -2.73 119.26 123.96 3fav h ALA 17 Ca -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fav h ALA 17 Cb 1.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3fav h ALA 17 CO 0.10 0.31 -0.31 0.82 0.00 0.00 0.00 179.25 180.17 3fav h ILE 18 N 0.93 1.16 -0.80 0.00 2.04 -1.26 -1.98 117.51 117.60 3fav h ILE 18 Ca 0.25 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3fav h ILE 18 Cb -0.08 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3fav h ILE 18 CO -0.05 0.31 0.45 1.56 0.00 0.00 0.00 178.15 180.42 3fav h GLN 19 N 0.00 1.11 -0.44 2.37 1.08 -1.16 0.10 115.11 118.17 3fav h GLN 19 Ca -0.00 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 3fav h GLN 19 Cb 0.58 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3fav h GLN 19 CO 0.04 0.81 0.28 0.78 -0.95 0.00 0.00 178.83 179.79 3fav h GLY 20 N 1.11 0.61 0.57 3.46 0.00 -1.25 -2.12 103.07 105.44 3fav h GLY 20 Ca 0.28 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.47 3fav h GLY 20 CO -0.05 0.22 0.43 3.43 0.00 0.00 0.00 176.54 180.57 3fav h ASN 21 N 0.58 0.62 -0.14 0.19 -0.26 -0.99 -0.87 115.58 114.70 3fav h ASN 21 Ca 0.16 0.04 0.05 0.00 -0.56 0.00 0.00 56.30 55.99 3fav h ASN 21 Cb -0.06 -0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 37.08 3fav h ASN 21 CO -0.04 0.37 -0.17 0.58 -1.06 0.00 0.00 177.43 177.10 3fav h VAL 22 N 0.74 0.54 -0.08 2.81 2.07 -0.35 0.99 116.25 122.98 3fav h VAL 22 Ca 0.36 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.87 3fav h VAL 22 Cb 0.30 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3fav h VAL 22 CO -0.23 0.00 0.01 0.74 0.02 0.00 0.00 177.57 178.11 3fav h THR 23 N -0.21 1.22 -0.39 2.57 2.02 -1.05 -1.46 112.91 115.60 3fav h THR 23 Ca 0.10 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.64 3fav h THR 23 Cb 0.36 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3fav h THR 23 CO -0.27 0.19 0.22 0.28 0.37 0.00 0.00 175.52 176.31 3fav h SER 24 N -0.10 0.35 -0.51 4.18 0.02 -0.97 -1.38 113.55 115.14 3fav h SER 24 Ca 0.02 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 3fav h SER 24 Cb 0.28 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3fav h SER 24 CO 0.00 0.25 -0.13 0.40 -1.14 0.00 0.00 176.83 176.21 3fav h ILE 25 N 0.45 1.27 -0.26 3.27 2.04 -0.80 -0.90 117.51 122.58 3fav h ILE 25 Ca 0.16 -1.28 0.05 0.00 1.00 0.00 0.00 64.86 64.79 3fav h ILE 25 Cb 0.03 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 3fav h ILE 25 CO -0.09 0.45 -0.08 -0.74 0.00 0.00 0.00 178.15 177.70 3fav h HIS 26 N 0.85 -0.17 -0.62 1.37 2.76 -1.01 -0.32 115.15 118.00 3fav h HIS 26 Ca 0.13 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 3fav h HIS 26 Cb 0.70 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.73 3fav h HIS 26 CO 0.05 -0.13 0.36 0.77 -1.30 0.00 0.00 177.93 177.68 3fav h SER 27 N -0.02 0.55 -0.24 3.26 0.02 -0.97 -2.16 113.55 114.00 3fav h SER 27 Ca 0.13 0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 3fav h SER 27 Cb 0.21 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3fav h SER 27 CO -0.28 0.37 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.57 3fav h LEU 28 N 0.69 0.65 -0.75 5.07 3.38 -0.71 -1.01 115.31 122.63 3fav h LEU 28 Ca 0.27 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3fav h LEU 28 Cb 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3fav h LEU 28 CO -0.14 0.82 -0.10 -0.07 0.09 0.00 0.00 178.44 179.04 3fav h LEU 29 N 0.60 0.84 -0.37 1.67 3.38 -0.79 0.44 115.31 121.07 3fav h LEU 29 Ca 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3fav h LEU 29 Cb 0.60 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3fav h LEU 29 CO 0.04 0.96 0.17 0.44 0.09 0.00 0.00 178.44 180.14 3fav h ASP 30 N 0.77 0.49 -0.72 -0.43 3.32 -1.05 -1.39 116.42 117.41 3fav h ASP 30 Ca 0.13 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.07 3fav h ASP 30 Cb 0.60 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 3fav h ASP 30 CO 0.04 0.49 0.46 -0.33 -1.72 0.00 0.00 179.24 178.18 3fav h GLU 31 N 0.46 0.87 -0.45 3.56 5.08 -0.90 -1.75 114.58 121.46 3fav h GLU 31 Ca 0.13 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3fav h GLU 31 Cb 0.13 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3fav h GLU 31 CO -0.01 0.58 0.11 0.78 -1.00 0.00 0.00 179.01 179.46 3fav h GLY 32 N 0.90 0.72 0.88 -3.84 0.00 -0.75 -0.52 103.07 100.46 3fav h GLY 32 Ca 0.29 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3fav h GLY 32 CO -0.10 0.36 -0.07 1.70 0.00 0.00 0.00 176.54 178.43 3fav h LYS 33 N 0.65 0.55 -0.51 4.80 3.64 -0.69 -2.30 116.57 122.71 3fav h LYS 33 Ca 0.15 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 3fav h LYS 33 Cb 0.24 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3fav h LYS 33 CO -0.00 0.75 0.17 1.96 -2.27 0.00 0.00 179.45 180.06 3fav h GLN 34 N 0.31 0.75 -0.57 1.90 1.08 -1.07 -2.96 115.11 114.55 3fav h GLN 34 Ca 0.07 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3fav h GLN 34 Cb 0.55 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 3fav h GLN 34 CO 0.03 0.64 0.31 1.03 -0.95 0.00 0.00 178.83 179.89 3fav h SER 35 N 0.73 0.72 -0.71 1.46 0.87 -0.95 -2.79 113.55 112.88 3fav h SER 35 Ca 0.17 -0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.71 3fav h SER 35 Cb 0.20 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 3fav h SER 35 CO -0.01 0.60 0.46 -0.07 -0.53 0.00 0.00 176.83 177.29 3fav h LEU 36 N 0.77 0.62 -1.45 2.23 3.38 -1.28 -0.50 115.31 119.09 3fav h LEU 36 Ca 0.20 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.31 3fav h LEU 36 Cb 0.05 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 3fav h LEU 36 CO -0.03 0.40 0.52 0.74 0.09 0.00 0.00 178.44 180.16 3fav h THR 37 N 0.71 0.84 -0.01 0.22 2.02 -1.33 -2.37 112.91 112.99 3fav h THR 37 Ca 0.31 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.30 3fav h THR 37 Cb 0.30 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3fav h THR 37 CO -0.10 0.10 -0.49 0.29 0.37 0.00 0.00 175.52 175.69 3fav n LYS 38 N -4.51 0.64 -0.28 6.66 5.02 -0.24 -3.79 118.16 121.67 3fav n LYS 38 Ca 0.15 -0.46 0.08 0.00 -2.02 0.00 0.00 58.31 56.06 3fav n LYS 38 Cb 0.46 -1.49 0.23 0.00 -0.02 0.00 0.00 35.03 34.21 3fav n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3fav n LEU 39 N -0.78 3.41 0.07 -0.35 4.77 -0.91 -4.68 117.00 118.52 3fav n LEU 39 Ca 0.09 -2.06 0.10 0.00 -0.03 0.00 0.00 56.01 54.10 3fav n LEU 39 Cb 0.38 -0.35 0.56 0.00 -2.33 0.00 0.00 43.42 41.68 3fav n LEU 39 CO 0.31 0.82 1.14 0.00 -1.33 0.00 0.00 177.39 178.34 3fav h ALA 40 N 2.89 2.01 -0.96 -1.18 0.00 -1.61 0.21 119.26 120.62 3fav h ALA 40 Ca 0.00 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.16 3fav h ALA 40 Cb 0.88 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3fav h ALA 40 CO 0.02 -0.07 0.67 0.00 0.00 0.00 0.00 179.25 179.87 3fav h ALA 41 N 1.82 2.71 0.00 0.00 0.00 -1.85 -1.53 119.26 120.41 3fav h ALA 41 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fav h ALA 41 Cb 0.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fav h ALA 41 CO -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 179.25 178.22 3fav h ALA 42 N 1.55 1.00 -0.05 0.00 0.00 -1.33 -1.10 119.26 119.32 3fav h ALA 42 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3fav h ALA 42 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3fav h ALA 42 CO -0.07 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.09 3fav n TRP 43 N -2.86 0.12 0.00 0.00 8.01 -0.64 -4.95 117.44 117.11 3fav n TRP 43 Ca -0.02 -0.74 0.00 0.00 -1.31 0.00 0.00 57.50 55.43 3fav n TRP 43 Cb 0.12 -0.11 0.00 0.00 -2.01 0.00 0.00 31.31 29.31 3fav n TRP 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3fav n GLY 44 N -0.82 0.97 0.00 6.99 0.00 -0.42 -4.10 105.19 107.83 3fav n GLY 44 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fav n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fav n GLY 45 N -1.01 1.08 0.32 -0.02 0.00 -0.80 -4.52 105.19 100.25 3fav n GLY 45 Ca 0.00 -2.05 0.20 0.00 0.00 0.00 0.00 46.02 44.17 3fav n GLY 45 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fav h SER 46 N 0.00 0.00 -0.64 1.61 4.64 -1.95 -1.58 113.55 115.63 3fav h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fav h SER 46 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3fav h SER 46 CO 0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3fav n GLY 47 N -0.96 2.52 3.77 -0.77 0.00 -1.26 -4.85 105.19 103.63 3fav n GLY 47 Ca -0.02 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 3fav n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fav s SER 48 N -0.90 7.25 0.36 1.61 0.15 -0.60 -4.97 113.70 116.61 3fav s SER 48 Ca 0.49 1.49 0.13 0.00 0.70 0.00 0.00 55.95 58.76 3fav s SER 48 Cb 0.30 -2.46 0.68 0.00 -1.71 0.00 0.00 66.02 62.83 3fav s SER 48 CO 0.25 0.14 1.79 -0.33 1.20 0.00 0.00 173.24 176.29 3fav h GLU 49 N 4.96 0.00 -0.50 5.44 5.08 -1.89 -1.17 114.58 126.50 3fav h GLU 49 Ca -0.46 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.78 3fav h GLU 49 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3fav h GLU 49 CO 0.68 0.41 -0.17 0.00 -1.00 0.00 0.00 179.01 178.93 3fav h ALA 50 N 1.59 0.76 -0.12 3.43 0.00 -1.94 -0.30 119.26 122.69 3fav h ALA 50 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3fav h ALA 50 Cb 0.74 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3fav h ALA 50 CO 0.05 0.67 0.02 -0.92 0.00 0.00 0.00 179.25 179.07 3fav h TYR 51 N 0.86 0.21 -0.80 0.00 3.20 -1.62 -1.34 116.97 117.48 3fav h TYR 51 Ca 0.12 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.08 3fav h TYR 51 Cb 0.73 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 3fav h TYR 51 CO 0.05 0.39 0.41 1.96 -1.64 0.00 0.00 178.16 179.32 3fav h GLN 52 N -0.03 0.62 -0.47 1.82 7.50 -1.16 -1.11 115.11 122.29 3fav h GLN 52 Ca 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3fav h GLN 52 Cb 0.29 -0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 3fav h GLN 52 CO 0.00 0.41 0.30 0.78 -1.50 0.00 0.00 178.83 178.82 3fav h GLY 53 N 0.64 0.67 0.38 3.46 0.00 -0.74 -1.25 103.07 106.22 3fav h GLY 53 Ca 0.41 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.56 3fav h GLY 53 CO -0.32 0.26 0.07 -2.08 0.00 0.00 0.00 176.54 174.47 3fav h VAL 54 N 0.63 0.73 -0.45 4.60 2.07 -0.39 -0.49 116.25 122.94 3fav h VAL 54 Ca 0.17 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.51 3fav h VAL 54 Cb -0.04 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3fav h VAL 54 CO -0.03 0.04 -0.17 1.56 0.02 0.00 0.00 177.57 178.99 3fav h GLN 55 N 0.20 0.87 -0.45 1.57 1.08 -0.89 0.10 115.11 117.60 3fav h GLN 55 Ca 0.23 -0.33 -0.11 0.00 -1.45 0.00 0.00 58.65 56.98 3fav h GLN 55 Cb 0.31 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 3fav h GLN 55 CO -0.32 0.97 -0.15 1.96 -0.95 0.00 0.00 178.83 180.35 3fav h GLN 56 N 0.77 0.90 -0.57 1.46 4.20 -0.96 -1.07 115.11 119.83 3fav h GLN 56 Ca 0.11 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 3fav h GLN 56 Cb 0.70 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 3fav h GLN 56 CO 0.05 1.01 0.32 -0.22 -0.67 0.00 0.00 178.83 179.32 3fav h LYS 57 N 0.73 0.80 0.01 1.46 3.64 -0.93 -1.32 116.57 120.96 3fav h LYS 57 Ca 0.11 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3fav h LYS 57 Cb 0.71 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3fav h LYS 57 CO 0.05 0.61 -0.01 2.35 -2.27 0.00 0.00 179.45 180.19 3fav h TRP 58 N 0.77 -0.01 -0.38 1.91 2.91 -0.65 -0.59 115.95 119.91 3fav h TRP 58 Ca 0.20 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.28 3fav h TRP 58 Cb 0.04 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.64 3fav h TRP 58 CO -0.01 0.03 0.05 -0.44 -1.03 0.00 0.00 178.44 177.04 3fav h ASP 59 N -0.06 -0.04 -0.00 2.65 3.32 -1.04 0.15 116.42 121.40 3fav h ASP 59 Ca -0.00 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3fav h ASP 59 Cb 0.05 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3fav h ASP 59 CO 0.00 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 3fav h ALA 60 N 1.30 0.01 -0.64 3.45 0.00 -1.06 -1.90 119.26 120.42 3fav h ALA 60 Ca 0.18 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3fav h ALA 60 Cb 0.23 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3fav h ALA 60 CO -0.26 -0.37 0.26 1.15 0.00 0.00 0.00 179.25 180.02 3fav h THR 61 N -0.23 0.78 -0.30 0.00 2.02 -1.01 -2.26 112.91 111.91 3fav h THR 61 Ca 0.00 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3fav h THR 61 Cb 0.24 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3fav h THR 61 CO 0.00 0.08 0.11 0.00 0.37 0.00 0.00 175.52 176.08 3fav h ALA 62 N 1.43 0.39 -0.11 6.16 0.00 -0.93 -2.18 119.26 124.02 3fav h ALA 62 Ca 0.32 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3fav h ALA 62 Cb 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fav h ALA 62 CO -0.31 -0.00 0.05 1.15 0.00 0.00 0.00 179.25 180.14 3fav h THR 63 N 0.33 1.12 -0.31 0.00 2.02 -1.30 -1.27 112.91 113.49 3fav h THR 63 Ca 0.10 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.00 3fav h THR 63 Cb 0.20 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.70 3fav h THR 63 CO -0.01 0.10 -0.08 -0.08 0.37 0.00 0.00 175.52 175.83 3fav h GLU 64 N 0.05 0.00 -0.16 6.66 4.57 -1.38 0.03 114.58 124.35 3fav h GLU 64 Ca 0.04 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.27 3fav h GLU 64 Cb 0.12 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.64 3fav h GLU 64 CO -0.00 0.00 -0.32 1.25 -1.18 0.00 0.00 179.01 178.76 3fav h LEU 65 N 0.00 -0.99 -0.18 1.64 5.85 -1.33 0.28 115.31 120.58 3fav h LEU 65 Ca 0.15 0.15 0.05 0.00 0.84 0.00 0.00 57.88 59.07 3fav h LEU 65 Cb 0.23 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3fav h LEU 65 CO -0.32 -0.35 -0.18 0.78 -0.34 0.00 0.00 178.44 178.03 3fav h ASN 66 N -0.37 -0.55 -0.21 1.25 2.35 -1.13 0.21 115.58 117.12 3fav h ASN 66 Ca 0.10 0.10 0.06 0.00 -0.55 0.00 0.00 56.30 56.02 3fav h ASN 66 Cb 0.54 0.27 -0.06 0.00 0.05 0.00 0.00 38.32 39.11 3fav h ASN 66 CO -0.37 -0.22 -0.22 0.78 -1.65 0.00 0.00 177.43 175.75 3fav h ASN 67 N -0.20 -0.70 -0.22 5.81 2.35 -0.83 -0.92 115.58 120.86 3fav h ASN 67 Ca 0.11 0.13 0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3fav h ASN 67 Cb 0.37 0.33 -0.04 0.00 0.05 0.00 0.00 38.32 39.03 3fav h ASN 67 CO -0.29 -0.26 -0.02 0.00 -1.65 0.00 0.00 177.43 175.20 3fav h ALA 68 N 0.81 0.18 -0.47 -0.83 0.00 -0.35 -2.09 119.26 116.52 3fav h ALA 68 Ca 0.13 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3fav h ALA 68 Cb 0.43 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3fav h ALA 68 CO -0.35 -0.44 0.02 -0.07 0.00 0.00 0.00 179.25 178.40 3fav h LEU 69 N 0.04 -0.16 -0.33 0.00 3.38 -0.83 -0.23 115.31 117.19 3fav h LEU 69 Ca 0.11 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3fav h LEU 69 Cb 0.15 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3fav h LEU 69 CO -0.20 -0.05 0.07 1.56 0.09 0.00 0.00 178.44 179.91 3fav h GLN 70 N 0.13 0.54 -0.62 1.13 4.20 -1.00 -2.32 115.11 117.17 3fav h GLN 70 Ca 0.23 -0.14 0.12 0.00 0.06 0.00 0.00 58.65 58.93 3fav h GLN 70 Cb 0.34 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 27.96 3fav h GLN 70 CO -0.37 0.61 0.13 -0.97 -0.67 0.00 0.00 178.83 177.55 3fav h ASN 71 N 0.38 -0.01 0.19 1.46 -1.24 -1.20 -2.32 115.58 112.84 3fav h ASN 71 Ca 0.10 0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.24 3fav h ASN 71 Cb 0.32 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 3fav h ASN 71 CO 0.00 -0.00 -0.23 0.25 -1.29 0.00 0.00 177.43 176.16 3fav h LEU 72 N 0.25 -0.62 -0.65 0.34 5.85 -0.80 0.51 115.31 120.19 3fav h LEU 72 Ca 0.33 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.20 3fav h LEU 72 Cb 0.51 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3fav h LEU 72 CO -0.43 -0.33 0.28 0.00 -0.34 0.00 0.00 178.44 177.63 3fav h ALA 73 N 0.25 0.86 -0.06 1.25 0.00 -1.31 -0.65 119.26 119.61 3fav h ALA 73 Ca 0.01 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3fav h ALA 73 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fav h ALA 73 CO -0.08 -0.12 -0.69 -0.09 0.00 0.00 0.00 179.25 178.27 3fav h ARG 74 N 0.50 0.57 -0.69 0.00 2.43 -1.31 -2.67 114.38 113.20 3fav h ARG 74 Ca 0.32 -0.54 -0.05 0.00 -0.81 0.00 0.00 59.98 58.91 3fav h ARG 74 Cb 0.36 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3fav h ARG 74 CO -0.28 1.16 0.25 1.15 -1.51 0.00 0.00 179.97 180.74 3fav h THR 75 N 0.18 1.24 -0.43 0.20 2.02 -0.75 -2.21 112.91 113.16 3fav h THR 75 Ca -0.07 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.21 3fav h THR 75 Cb 1.36 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3fav h THR 75 CO 0.14 0.32 -0.11 0.40 0.37 0.00 0.00 175.52 176.64 3fav h ILE 76 N 1.01 1.27 -0.36 3.11 2.04 -1.09 -1.30 117.51 122.19 3fav h ILE 76 Ca 0.23 -1.22 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3fav h ILE 76 Cb 0.24 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3fav h ILE 76 CO -0.01 0.42 0.18 0.77 0.00 0.00 0.00 178.15 179.50 3fav h SER 77 N 0.67 0.46 -0.84 1.72 4.64 -1.50 -2.65 113.55 116.06 3fav h SER 77 Ca 0.11 -0.11 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 3fav h SER 77 Cb 0.65 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 3fav h SER 77 CO 0.04 0.44 0.58 -0.33 -0.87 0.00 0.00 176.83 176.70 3fav h GLU 78 N 0.45 0.15 0.25 4.77 5.08 -1.29 -2.32 114.58 121.67 3fav h GLU 78 Ca 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3fav h GLU 78 Cb 0.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3fav h GLU 78 CO -0.02 0.10 -0.12 0.00 -1.00 0.00 0.00 179.01 177.98 3fav h ALA 79 N 1.61 -0.33 -0.85 3.43 0.00 -1.07 -3.23 119.26 118.80 3fav h ALA 79 Ca 0.41 -0.11 0.25 0.00 0.00 0.00 0.00 54.91 55.46 3fav h ALA 79 Cb 1.38 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 3fav h ALA 79 CO -0.07 -0.32 0.69 0.78 0.00 0.00 0.00 179.25 180.33 3fav h GLY 80 N -1.06 0.00 1.00 0.00 0.00 -1.34 -3.52 103.07 98.15 3fav h GLY 80 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3fav h GLY 80 CO 0.06 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.54