#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fya s SER 3 N 0.00 5.61 0.43 4.31 0.15 -1.26 -4.99 113.70 117.95 3fya s SER 3 Ca 0.00 -0.39 0.20 0.00 0.70 0.00 0.00 55.95 56.45 3fya s SER 3 Cb 0.00 -2.02 1.14 0.00 -1.71 0.00 0.00 66.02 63.43 3fya s SER 3 CO 0.00 -0.16 1.83 0.15 1.20 0.00 0.00 173.24 176.27 3fya h PHE 4 N 8.35 0.51 0.16 3.44 3.57 -2.05 -1.94 116.94 128.98 3fya h PHE 4 Ca -0.33 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 3fya h PHE 4 Cb 1.16 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3fya h PHE 4 CO 0.66 0.10 -0.07 1.25 -2.23 0.00 0.00 178.31 178.02 3fya h LEU 5 N 0.35 -0.18 -0.47 0.59 6.46 -2.00 -2.56 115.31 117.51 3fya h LEU 5 Ca 0.50 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 58.34 3fya h LEU 5 Cb 1.35 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 41.26 3fya h LEU 5 CO -0.19 -0.10 -0.20 -0.11 -0.62 0.00 0.00 178.44 177.22 3fya n LEU 6 N -2.72 -0.35 -0.21 2.25 7.94 -1.10 0.64 117.00 123.46 3fya n LEU 6 Ca -0.03 0.83 -0.13 0.00 -1.11 0.00 0.00 56.01 55.58 3fya n LEU 6 Cb 0.08 -0.17 -0.10 0.00 0.53 0.00 0.00 43.42 43.76 3fya n LEU 6 CO 0.06 -0.73 0.49 0.77 -1.11 0.00 0.00 177.39 176.88 3fya h SER 7 N 0.00 -1.90 0.27 1.96 4.64 -1.21 0.22 113.55 117.54 3fya h SER 7 Ca 0.15 0.26 -0.13 0.00 -0.47 0.00 0.00 61.79 61.60 3fya h SER 7 Cb 0.26 0.80 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3fya h SER 7 CO -0.46 -0.35 -0.50 0.11 -0.87 0.00 0.00 176.83 174.76 3fya h LYS 8 N -0.28 0.27 0.38 4.77 1.57 0.63 -0.79 116.57 123.11 3fya h LYS 8 Ca 0.09 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3fya h LYS 8 Cb 0.53 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3fya h LYS 8 CO -0.67 0.71 -0.18 0.28 -0.57 0.00 0.00 179.45 179.01 3fya h VAL 9 N 0.21 0.62 -0.97 0.50 2.07 -0.51 -1.97 116.25 116.20 3fya h VAL 9 Ca 0.01 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.23 3fya h VAL 9 Cb 0.95 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3fya h VAL 9 CO 0.08 0.07 0.62 -1.28 0.02 0.00 0.00 177.57 177.08 3fya h SER 10 N -0.74 0.92 -0.26 0.57 0.87 -0.54 -0.79 113.55 113.59 3fya h SER 10 Ca -0.05 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3fya h SER 10 Cb 0.51 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3fya h SER 10 CO 0.08 0.53 0.14 0.15 -0.53 0.00 0.00 176.83 177.20 3fya h PHE 11 N 1.01 0.36 -0.36 2.24 3.57 -0.99 -2.13 116.94 120.63 3fya h PHE 11 Ca 0.46 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.86 3fya h PHE 11 Cb 0.38 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3fya h PHE 11 CO -0.00 0.32 -0.14 0.28 -2.23 0.00 0.00 178.31 176.54 3fya h VAL 12 N 0.30 1.25 -0.13 1.41 2.07 -0.40 -1.10 116.25 119.65 3fya h VAL 12 Ca 0.09 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.51 3fya h VAL 12 Cb 0.08 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 3fya h VAL 12 CO -0.01 0.38 -0.39 0.40 0.02 0.00 0.00 177.57 177.97 3fya h ILE 13 N 0.59 0.18 -0.20 4.57 2.04 -1.02 -1.64 117.51 122.04 3fya h ILE 13 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 3fya h ILE 13 Cb 0.58 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3fya h ILE 13 CO 0.04 0.00 -0.09 0.50 0.00 0.00 0.00 178.15 178.60 3fya h LYS 14 N -0.47 -0.06 -0.25 2.37 3.64 -0.93 0.13 116.57 120.99 3fya h LYS 14 Ca 0.08 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3fya h LYS 14 Cb 0.61 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 3fya h LYS 14 CO -0.39 -0.04 -0.37 -0.22 -2.27 0.00 0.00 179.45 176.17 3fya h LYS 15 N -0.06 -0.36 -0.20 1.90 3.64 -0.94 0.81 116.57 121.35 3fya h LYS 15 Ca 0.11 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3fya h LYS 15 Cb 0.22 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3fya h LYS 15 CO -0.24 -0.24 -0.02 0.82 -2.27 0.00 0.00 179.45 177.50 3fya h ILE 16 N -0.37 1.27 -0.67 2.00 2.04 -1.12 0.99 117.51 121.65 3fya h ILE 16 Ca 0.12 -0.94 0.13 0.00 1.00 0.00 0.00 64.86 65.17 3fya h ILE 16 Cb 0.57 1.48 -0.10 0.00 -0.74 0.00 0.00 36.82 38.04 3fya h ILE 16 CO -0.46 0.29 0.17 -0.09 0.00 0.00 0.00 178.15 178.06 3fya h ARG 17 N 0.12 0.28 -0.06 2.37 2.43 -0.16 0.42 114.38 119.78 3fya h ARG 17 Ca 0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3fya h ARG 17 Cb 0.44 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3fya h ARG 17 CO 0.01 0.19 0.01 -0.07 -1.51 0.00 0.00 179.97 178.60 3fya h LEU 18 N 0.29 0.09 -1.98 3.80 3.38 0.10 -1.77 115.31 119.22 3fya h LEU 18 Ca 0.36 -0.26 0.17 0.00 0.09 0.00 0.00 57.88 58.25 3fya h LEU 18 Cb 0.57 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3fya h LEU 18 CO -0.44 0.32 0.42 -0.33 0.09 0.00 0.00 178.44 178.51 3fya h GLU 19 N -0.15 0.02 -0.48 1.13 5.08 0.23 -1.18 114.58 119.23 3fya h GLU 19 Ca 0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3fya h GLU 19 Cb 0.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3fya h GLU 19 CO 0.00 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3fya n LYS 20 N -4.37 2.01 -3.60 2.33 4.76 0.13 -4.86 118.16 114.56 3fya n LYS 20 Ca 0.11 -1.16 -0.27 0.00 -2.87 0.00 0.00 58.31 54.12 3fya n LYS 20 Cb 0.65 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 32.42 3fya n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fya n GLY 21 N 0.74 -0.49 3.57 0.72 0.00 -0.45 -4.91 105.19 104.37 3fya n GLY 21 Ca 0.11 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 3fya n GLY 21 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fya s MET 22 N -6.28 2.27 0.33 1.61 0.00 -0.68 -5.06 119.30 111.49 3fya s MET 22 Ca 0.52 -0.91 0.05 0.00 0.00 0.00 0.00 55.69 55.34 3fya s MET 22 Cb -0.26 -2.36 0.05 0.00 0.00 0.00 0.00 34.83 32.26 3fya s MET 22 CO 0.64 0.54 0.40 0.25 0.00 0.00 0.00 175.02 176.85 3fya n THR 23 N 1.11 0.00 -0.02 10.11 -2.24 -1.26 -4.35 114.28 117.62 3fya n THR 23 Ca -0.14 -1.17 -0.13 0.00 -2.27 0.00 0.00 64.05 60.34 3fya n THR 23 Cb 0.52 -0.57 -0.11 0.00 -2.10 0.00 0.00 70.33 68.08 3fya n THR 23 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3fya h GLN 24 N 0.00 -0.03 0.00 -0.78 4.20 -1.98 -2.22 115.11 114.29 3fya h GLN 24 Ca -0.17 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3fya h GLN 24 Cb 0.73 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 3fya h GLN 24 CO 0.25 0.62 -0.09 1.05 -0.67 0.00 0.00 178.83 179.99 3fya h GLU 25 N -0.73 0.00 0.80 1.46 9.09 -1.97 0.25 114.58 123.49 3fya h GLU 25 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 3fya h GLU 25 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.77 3fya h GLU 25 CO 0.01 0.09 -0.43 -0.44 0.05 0.00 0.00 179.01 178.28 3fya h ASP 26 N 0.00 -1.06 0.36 3.06 5.19 -1.95 -2.06 116.42 119.95 3fya h ASP 26 Ca -0.00 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.39 3fya h ASP 26 Cb 0.30 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 3fya h ASP 26 CO 0.01 -0.70 -0.34 0.25 -3.12 0.00 0.00 179.24 175.34 3fya h LEU 27 N -1.14 0.00 -1.32 1.55 5.85 -0.71 0.09 115.31 119.63 3fya h LEU 27 Ca -0.11 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3fya h LEU 27 Cb 0.89 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3fya h LEU 27 CO 0.14 0.34 0.03 0.00 -0.34 0.00 0.00 178.44 178.61 3fya h ALA 28 N 1.66 1.45 0.10 1.25 0.00 -0.52 -1.27 119.26 121.93 3fya h ALA 28 Ca -0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3fya h ALA 28 Cb 0.60 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fya h ALA 28 CO 0.04 0.40 -0.77 -0.92 0.00 0.00 0.00 179.25 178.00 3fya h TYR 29 N 0.47 0.40 -0.13 0.00 3.20 -0.30 -1.55 116.97 119.06 3fya h TYR 29 Ca 0.11 -0.29 -0.13 0.00 3.14 0.00 0.00 58.73 61.56 3fya h TYR 29 Cb 0.27 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3fya h TYR 29 CO 0.01 1.30 -0.49 0.87 -1.64 0.00 0.00 178.16 178.21 3fya h LYS 30 N -0.51 0.33 -0.02 1.82 1.57 -1.16 -3.29 116.57 115.32 3fya h LYS 30 Ca -0.15 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3fya h LYS 30 Cb 1.52 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3fya h LYS 30 CO 0.09 0.75 -0.25 -1.13 -0.57 0.00 0.00 179.45 178.34 3fya n SER 31 N -3.97 1.93 -0.72 0.86 3.41 -0.48 -4.31 113.62 110.34 3fya n SER 31 Ca -0.02 -1.47 -0.08 0.00 -0.26 0.00 0.00 58.87 57.04 3fya n SER 31 Cb 0.54 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 3fya n SER 31 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3fya n ASN 32 N 0.17 -3.58 -4.85 4.04 6.94 -0.77 -4.54 115.26 112.66 3fya n ASN 32 Ca 0.12 0.12 -0.26 0.00 -0.02 0.00 0.00 54.58 54.55 3fya n ASN 32 Cb 0.45 -2.17 -0.03 0.00 -2.36 0.00 0.00 39.78 35.67 3fya n ASN 32 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3fya s LEU 33 N -1.98 2.80 0.31 -4.53 2.01 -0.66 -5.04 118.68 111.59 3fya s LEU 33 Ca 0.00 -1.22 -0.27 0.00 0.01 0.00 0.00 54.13 52.65 3fya s LEU 33 Cb 0.00 -1.26 -0.10 0.00 0.01 0.00 0.00 46.19 44.84 3fya s LEU 33 CO 0.00 -0.91 0.95 -1.81 1.01 0.00 0.00 176.35 175.59 3fya s ASP 34 N -4.13 7.37 0.17 2.29 1.01 -1.26 -4.39 116.67 117.73 3fya s ASP 34 Ca 0.33 1.88 -0.14 0.00 0.71 0.00 0.00 52.55 55.34 3fya s ASP 34 Cb -0.01 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.40 3fya s ASP 34 CO 0.20 -0.04 1.81 0.00 0.21 0.00 0.00 175.17 177.35 3fya h ALA 35 N 3.36 0.68 -0.98 5.23 0.00 -1.90 -1.52 119.26 124.13 3fya h ALA 35 Ca -0.46 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 54.58 3fya h ALA 35 Cb 1.19 -0.21 -0.19 0.00 0.00 0.00 0.00 17.79 18.58 3fya h ALA 35 CO 0.65 0.15 -0.24 0.25 0.00 0.00 0.00 179.25 180.06 3fya n THR 36 N -4.68 -0.41 -0.16 0.00 -2.24 -1.26 -0.93 114.28 104.59 3fya n THR 36 Ca 0.03 2.25 -0.10 0.00 -2.27 0.00 0.00 64.05 63.96 3fya n THR 36 Cb 0.05 -3.11 -0.00 0.00 -2.10 0.00 0.00 70.33 65.16 3fya n THR 36 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3fya h TYR 37 N 0.00 0.87 -0.27 4.78 3.20 -1.70 -2.28 116.97 121.57 3fya h TYR 37 Ca 0.47 -0.15 -0.07 0.00 3.14 0.00 0.00 58.73 62.13 3fya h TYR 37 Cb 0.72 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3fya h TYR 37 CO -0.75 0.84 -0.11 0.82 -1.64 0.00 0.00 178.16 177.32 3fya h ILE 38 N 0.65 1.29 0.16 1.81 1.08 -0.47 -1.63 117.51 120.42 3fya h ILE 38 Ca 0.13 -1.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.44 3fya h ILE 38 Cb 0.48 1.49 -0.05 0.00 -3.07 0.00 0.00 36.82 35.68 3fya h ILE 38 CO 0.02 0.37 -0.53 0.28 -0.69 0.00 0.00 178.15 177.60 3fya h SER 39 N 0.28 -1.58 -0.41 1.72 0.02 -1.08 -2.74 113.55 109.77 3fya h SER 39 Ca 0.06 0.16 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 3fya h SER 39 Cb 0.60 0.58 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 3fya h SER 39 CO 0.03 -0.57 -0.35 1.23 -1.14 0.00 0.00 176.83 176.03 3fya h GLY 40 N -0.79 -0.32 -0.77 -3.77 0.00 -1.31 -0.23 103.07 95.89 3fya h GLY 40 Ca -0.01 0.45 0.19 0.00 0.00 0.00 0.00 47.33 47.96 3fya h GLY 40 CO -0.26 -0.20 -0.17 -2.22 0.00 0.00 0.00 176.54 173.68 3fya h ILE 41 N -0.27 0.12 0.00 2.60 2.04 -1.32 0.58 117.51 121.26 3fya h ILE 41 Ca 0.17 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.02 3fya h ILE 41 Cb 0.55 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3fya h ILE 41 CO -0.55 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 176.98 3fya n GLU 42 N -5.54 0.23 -0.43 2.37 1.02 -0.11 -2.05 120.64 116.13 3fya n GLU 42 Ca 0.15 0.09 0.09 0.00 -0.02 0.00 0.00 57.16 57.46 3fya n GLU 42 Cb 0.49 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.66 3fya n GLU 42 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3fya n ARG 43 N -1.35 2.89 -4.00 3.49 1.74 -0.80 -4.92 116.66 113.71 3fya n ARG 43 Ca 0.09 -2.82 -0.28 0.00 -0.77 0.00 0.00 57.85 54.07 3fya n ARG 43 Cb 0.20 -1.83 -0.03 0.00 -1.02 0.00 0.00 32.46 29.79 3fya n ARG 43 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fya n ASN 44 N -0.51 -0.63 -0.07 0.55 5.03 -0.87 -4.89 115.26 113.87 3fya n ASN 44 Ca 0.21 -1.07 0.02 0.00 0.87 0.00 0.00 54.58 54.61 3fya n ASN 44 Cb 0.88 -2.77 0.02 0.00 -1.02 0.00 0.00 39.78 36.89 3fya n ASN 44 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3fya n SER 45 N -2.91 1.23 -3.93 6.41 2.88 0.13 -5.02 113.62 112.40 3fya n SER 45 Ca -0.29 -1.87 -0.10 0.00 -1.33 0.00 0.00 58.87 55.28 3fya n SER 45 Cb 0.68 -0.09 -0.10 0.00 -0.75 0.00 0.00 64.21 63.95 3fya n SER 45 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3fya s ARG 46 N -0.88 0.50 -0.41 -1.46 1.81 -1.14 -4.70 118.95 112.66 3fya s ARG 46 Ca 0.05 -0.63 -0.10 0.00 -1.72 0.00 0.00 55.73 53.33 3fya s ARG 46 Cb 0.04 0.19 0.07 0.00 -0.45 0.00 0.00 34.95 34.80 3fya s ARG 46 CO 0.00 -0.11 0.26 1.21 -0.68 0.00 0.00 175.30 175.98 3fya s ASN 47 N -1.78 5.72 -0.03 0.23 3.84 -1.26 -4.64 114.94 117.02 3fya s ASN 47 Ca -0.10 -1.36 -0.15 0.00 0.21 0.00 0.00 52.86 51.46 3fya s ASN 47 Cb -0.05 -2.02 -0.05 0.00 -0.55 0.00 0.00 41.25 38.58 3fya s ASN 47 CO -0.02 -0.51 0.40 -1.48 -2.79 0.00 0.00 177.10 172.70 3fya s LEU 48 N 1.48 4.43 0.67 3.21 2.34 -1.26 -5.08 118.68 124.47 3fya s LEU 48 Ca 0.03 0.89 -0.08 0.00 0.06 0.00 0.00 54.13 55.03 3fya s LEU 48 Cb -0.22 -2.57 0.03 0.00 -0.56 0.00 0.00 46.19 42.86 3fya s LEU 48 CO 0.04 0.26 1.01 0.42 -1.06 0.00 0.00 176.35 177.02 3fya s THR 49 N -0.70 3.22 0.45 5.48 -4.23 -1.26 -4.91 115.64 113.69 3fya s THR 49 Ca 0.23 0.12 0.18 0.00 -1.18 0.00 0.00 61.69 61.04 3fya s THR 49 Cb -0.16 -3.34 0.36 0.00 1.34 0.00 0.00 72.50 70.70 3fya s THR 49 CO 0.12 -0.40 1.95 0.40 -0.54 0.00 0.00 174.62 176.15 3fya h ILE 50 N -0.49 0.80 0.19 2.99 5.03 -1.99 -1.69 117.51 122.35 3fya h ILE 50 Ca -0.45 -0.11 -0.01 0.00 -0.12 0.00 0.00 64.86 64.17 3fya h ILE 50 Cb 1.27 0.46 0.00 0.00 -3.03 0.00 0.00 36.82 35.52 3fya h ILE 50 CO 0.62 0.06 -0.09 0.11 -0.68 0.00 0.00 178.15 178.17 3fya h LYS 51 N 0.31 -0.24 -0.54 2.37 1.79 -1.99 -1.90 116.57 116.37 3fya h LYS 51 Ca 0.32 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.87 3fya h LYS 51 Cb 0.84 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.51 3fya h LYS 51 CO -0.08 0.03 0.36 0.77 -1.08 0.00 0.00 179.45 179.44 3fya h SER 52 N -0.51 0.45 -0.42 0.86 0.02 -1.78 0.59 113.55 112.76 3fya h SER 52 Ca -0.03 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3fya h SER 52 Cb 0.39 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3fya h SER 52 CO 0.04 0.30 -0.21 0.25 -1.14 0.00 0.00 176.83 176.07 3fya h LEU 53 N 0.52 0.95 -0.14 5.07 5.85 -1.26 0.46 115.31 126.75 3fya h LEU 53 Ca 0.23 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3fya h LEU 53 Cb 0.25 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3fya h LEU 53 CO -0.06 1.12 -0.11 -0.08 -0.34 0.00 0.00 178.44 178.97 3fya h GLU 54 N 0.80 0.33 -0.48 1.25 4.81 0.02 0.13 114.58 121.44 3fya h GLU 54 Ca 0.11 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3fya h GLU 54 Cb 0.76 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.06 3fya h GLU 54 CO 0.06 0.69 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.96 3fya h LEU 55 N -0.03 -0.21 0.21 1.64 4.07 0.16 -0.37 115.31 120.78 3fya h LEU 55 Ca 0.03 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3fya h LEU 55 Cb 0.61 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.56 3fya h LEU 55 CO 0.03 -0.07 -0.10 0.40 -1.08 0.00 0.00 178.44 177.62 3fya h ILE 56 N 0.11 0.80 -0.75 1.22 2.04 -0.77 -0.84 117.51 119.31 3fya h ILE 56 Ca 0.24 -0.03 0.22 0.00 1.00 0.00 0.00 64.86 66.29 3fya h ILE 56 Cb 0.36 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3fya h ILE 56 CO -0.40 0.01 0.57 0.24 0.00 0.00 0.00 178.15 178.56 3fya h MET 57 N -0.30 0.00 0.03 2.37 2.86 -0.02 0.32 114.93 120.19 3fya h MET 57 Ca -0.03 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.37 3fya h MET 57 Cb 0.23 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3fya h MET 57 CO 0.05 0.00 -1.22 1.57 1.06 0.00 0.00 176.91 178.37 3fya h LYS 58 N 0.00 0.07 -0.75 1.72 2.10 -0.39 -2.26 116.57 117.06 3fya h LYS 58 Ca 0.36 -0.12 0.08 0.00 -2.00 0.00 0.00 60.65 58.97 3fya h LYS 58 Cb 1.50 0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 32.81 3fya h LYS 58 CO -0.00 0.96 0.42 0.78 -2.00 0.00 0.00 179.45 179.61 3fya h GLY 59 N 2.71 1.13 2.00 0.07 0.00 0.86 -2.67 103.07 107.18 3fya h GLY 59 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3fya h GLY 59 CO 0.14 0.14 -0.19 1.41 0.00 0.00 0.00 176.54 178.03 3fya h LEU 60 N 0.73 0.00 -0.68 3.11 3.38 -0.61 -3.45 115.31 117.80 3fya h LEU 60 Ca 0.35 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.03 3fya h LEU 60 Cb 0.29 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.13 3fya h LEU 60 CO -0.22 0.19 -0.48 -0.62 0.09 0.00 0.00 178.44 177.40 3fya n GLU 61 N -3.30 -5.43 -5.00 1.13 1.02 -0.87 -5.02 120.64 103.18 3fya n GLU 61 Ca 0.01 0.61 -0.28 0.00 -0.02 0.00 0.00 57.16 57.47 3fya n GLU 61 Cb 0.45 -4.95 -0.16 0.00 -0.02 0.00 0.00 31.44 26.76 3fya n GLU 61 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3fya s VAL 62 N -3.20 1.65 1.16 2.62 -7.23 -1.12 -5.08 120.40 109.22 3fya s VAL 62 Ca 0.39 -0.85 -0.14 0.00 -1.81 0.00 0.00 61.98 59.57 3fya s VAL 62 Cb -0.17 -1.40 0.28 0.00 0.56 0.00 0.00 36.38 35.64 3fya s VAL 62 CO 0.49 0.47 1.03 -0.94 -0.31 0.00 0.00 175.10 175.84 3fya s SER 63 N -0.12 1.07 0.10 4.85 1.04 -1.26 -4.77 113.70 114.61 3fya s SER 63 Ca -0.02 1.28 -0.02 0.00 0.48 0.00 0.00 55.95 57.67 3fya s SER 63 Cb -0.12 -1.97 -0.21 0.00 0.10 0.00 0.00 66.02 63.82 3fya s SER 63 CO 0.02 -4.11 1.22 0.44 0.98 0.00 0.00 173.24 171.79 3fya h ASP 64 N -2.56 0.35 0.26 7.02 5.19 -1.99 -2.67 116.42 122.01 3fya h ASP 64 Ca -0.58 -0.35 -0.01 0.00 -0.62 0.00 0.00 57.03 55.47 3fya h ASP 64 Cb 1.34 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.74 3fya h ASP 64 CO 0.50 1.24 -0.12 0.58 -3.12 0.00 0.00 179.24 178.31 3fya h VAL 65 N 0.09 0.79 -0.57 -1.35 2.07 -1.99 -2.43 116.25 112.86 3fya h VAL 65 Ca -0.10 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3fya h VAL 65 Cb 1.82 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 3fya h VAL 65 CO 0.18 0.07 0.33 0.58 0.02 0.00 0.00 177.57 178.75 3fya h VAL 66 N -0.50 1.03 0.34 2.57 2.07 -1.94 -0.73 116.25 119.09 3fya h VAL 66 Ca -0.04 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3fya h VAL 66 Cb 0.37 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3fya h VAL 66 CO 0.06 0.12 -0.32 0.15 0.02 0.00 0.00 177.57 177.59 3fya h PHE 67 N 0.65 -0.87 0.00 1.57 3.57 -1.51 -1.06 116.94 119.29 3fya h PHE 67 Ca 0.24 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 3fya h PHE 67 Cb 0.06 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3fya h PHE 67 CO -0.07 -0.46 -0.38 0.74 -2.23 0.00 0.00 178.31 175.90 3fya h PHE 68 N -0.69 0.00 -0.83 0.41 0.04 -1.24 0.17 116.94 114.79 3fya h PHE 68 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 3fya h PHE 68 Cb 0.62 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.73 3fya h PHE 68 CO -0.18 0.38 0.40 0.93 -0.60 0.00 0.00 178.31 179.24 3fya h GLU 69 N 0.00 1.20 0.00 1.51 5.08 -1.00 -2.03 114.58 119.33 3fya h GLU 69 Ca -0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3fya h GLU 69 Cb 0.87 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3fya h GLU 69 CO 0.05 0.92 0.00 0.52 -1.00 0.00 0.00 179.01 179.50 3fya h MET 70 N 1.19 0.00 0.05 2.33 2.86 0.36 -3.07 114.93 118.65 3fya h MET 70 Ca 0.29 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3fya h MET 70 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3fya h MET 70 CO -0.04 0.00 -0.03 1.25 1.06 0.00 0.00 176.91 179.16 3fya h LEU 71 N 0.00 -0.06 -0.74 1.22 7.12 -0.44 -3.10 115.31 119.31 3fya h LEU 71 Ca 0.00 -0.56 0.12 0.00 0.13 0.00 0.00 57.88 57.57 3fya h LEU 71 Cb 0.76 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.82 3fya h LEU 71 CO 0.00 0.66 0.34 0.40 -0.13 0.00 0.00 178.44 179.71 3fya h ILE 72 N -0.92 0.76 -0.85 4.05 2.04 -1.47 -0.40 117.51 120.72 3fya h ILE 72 Ca -0.01 -0.18 0.11 0.00 1.00 0.00 0.00 64.86 65.78 3fya h ILE 72 Cb 0.62 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 36.79 3fya h ILE 72 CO 0.01 0.10 0.48 0.50 0.00 0.00 0.00 178.15 179.24 3fya h LYS 73 N 0.53 0.76 -0.28 2.37 3.64 -1.65 -0.70 116.57 121.23 3fya h LYS 73 Ca 0.39 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.56 3fya h LYS 73 Cb 0.50 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3fya h LYS 73 CO -0.33 0.50 -0.46 0.93 -2.27 0.00 0.00 179.45 177.82 3fya h GLU 74 N 0.78 0.74 -0.27 1.90 3.07 -1.24 -1.92 114.58 117.64 3fya h GLU 74 Ca 0.42 -0.41 0.08 0.00 -0.50 0.00 0.00 59.36 58.95 3fya h GLU 74 Cb 0.44 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 3fya h GLU 74 CO -0.27 1.04 0.26 0.82 -1.40 0.00 0.00 179.01 179.46 3fya h ILE 75 N 0.59 0.54 -0.02 3.13 2.04 -0.36 -3.51 117.51 119.91 3fya h ILE 75 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3fya h ILE 75 Cb 1.02 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3fya h ILE 75 CO 0.10 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.43