#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucv n SER 2 N 0.00 -3.53 -0.29 1.61 3.41 -1.26 -4.83 113.62 108.74 1ucv n SER 2 Ca 0.00 -0.90 0.11 0.00 -0.26 0.00 0.00 58.87 57.82 1ucv n SER 2 Cb 0.00 -3.36 0.27 0.00 -0.26 0.00 0.00 64.21 60.85 1ucv n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ucv h SER 3 N -1.82 0.29 0.00 4.04 4.64 -2.03 -3.47 113.55 115.21 1ucv h SER 3 Ca -0.59 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ucv h SER 3 Cb 1.38 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1ucv h SER 3 CO 0.70 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 1ucv n GLY 4 N -1.34 -0.33 3.92 -0.77 0.00 -1.26 -4.57 105.19 100.84 1ucv n GLY 4 Ca 0.20 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 1ucv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ucv s SER 5 N -4.00 6.41 0.00 1.61 0.15 -1.26 -4.31 113.70 112.30 1ucv s SER 5 Ca 0.00 0.47 -0.00 0.00 0.70 0.00 0.00 55.95 57.12 1ucv s SER 5 Cb 0.00 -2.04 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1ucv s SER 5 CO 0.00 -0.04 1.00 -1.28 1.20 0.00 0.00 173.24 174.12 1ucv h SER 6 N 2.14 -0.01 0.00 5.45 0.87 -1.89 -3.45 113.55 116.65 1ucv h SER 6 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1ucv h SER 6 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1ucv h SER 6 CO 0.69 -0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.60 1ucv n GLY 7 N -1.00 -0.36 3.97 5.77 0.00 -1.26 -4.96 105.19 107.34 1ucv n GLY 7 Ca -0.00 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1ucv n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ucv s LEU 8 N 0.00 2.84 0.19 0.99 2.34 -1.26 -5.07 118.68 118.72 1ucv s LEU 8 Ca 0.00 -0.10 -0.06 0.00 0.06 0.00 0.00 54.13 54.03 1ucv s LEU 8 Cb 0.00 -2.05 -0.06 0.00 -0.56 0.00 0.00 46.19 43.52 1ucv s LEU 8 CO 0.00 -2.36 0.46 0.28 -1.06 0.00 0.00 176.35 173.67 1ucv s THR 9 N -3.54 5.07 0.39 5.48 -1.32 -1.26 -4.41 115.64 116.05 1ucv s THR 9 Ca 0.71 0.17 0.21 0.00 -1.21 0.00 0.00 61.69 61.57 1ucv s THR 9 Cb -0.04 -3.64 0.40 0.00 -1.51 0.00 0.00 72.50 67.71 1ucv s THR 9 CO 0.49 -0.05 1.65 0.58 -2.21 0.00 0.00 174.62 175.09 1ucv h VAL 10 N 1.93 0.23 -0.47 5.08 2.07 -1.87 0.45 116.25 123.68 1ucv h VAL 10 Ca -0.46 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1ucv h VAL 10 Cb 1.17 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1ucv h VAL 10 CO 0.71 0.04 0.03 1.23 0.02 0.00 0.00 177.57 179.60 1ucv h GLY 11 N 0.21 0.87 0.85 2.17 0.00 -1.90 -1.56 103.07 103.71 1ucv h GLY 11 Ca 0.76 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1ucv h GLY 11 CO -0.51 0.56 -0.47 -0.55 0.00 0.00 0.00 176.54 175.57 1ucv h ASP 12 N 0.66 -1.18 -0.06 0.19 5.19 -0.49 0.29 116.42 121.02 1ucv h ASP 12 Ca 0.14 0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.64 1ucv h ASP 12 Cb 0.45 0.34 -0.04 0.00 0.18 0.00 0.00 39.33 40.26 1ucv h ASP 12 CO 0.02 -0.74 -0.19 -0.25 -3.12 0.00 0.00 179.24 174.97 1ucv h TRP 13 N -1.18 -0.48 -0.01 4.55 7.01 -1.50 -2.48 115.95 121.86 1ucv h TRP 13 Ca -0.11 0.02 0.03 0.00 2.11 0.00 0.00 58.89 60.94 1ucv h TRP 13 Cb 0.94 0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 28.19 1ucv h TRP 13 CO -0.09 -0.26 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.04 1ucv h LEU 14 N -0.27 -0.56 -0.93 0.65 3.38 -1.22 -2.00 115.31 114.36 1ucv h LEU 14 Ca 0.08 0.08 0.27 0.00 0.09 0.00 0.00 57.88 58.40 1ucv h LEU 14 Cb 0.38 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.21 1ucv h LEU 14 CO -0.22 -0.25 0.33 -0.78 0.09 0.00 0.00 178.44 177.60 1ucv h ASP 15 N -0.30 0.13 -0.66 -0.43 3.58 -0.11 0.35 116.42 118.98 1ucv h ASP 15 Ca 0.06 0.20 0.13 0.00 0.42 0.00 0.00 57.03 57.84 1ucv h ASP 15 Cb 0.38 0.25 -0.09 0.00 1.72 0.00 0.00 39.33 41.58 1ucv h ASP 15 CO -0.19 -0.18 0.17 -1.28 -2.88 0.00 0.00 179.24 174.89 1ucv h SER 16 N 0.22 0.06 -0.35 2.28 0.87 -0.91 0.38 113.55 116.09 1ucv h SER 16 Ca 0.62 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 1ucv h SER 16 Cb 1.32 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1ucv h SER 16 CO -0.67 0.02 0.00 2.30 -0.53 0.00 0.00 176.83 177.95 1ucv n ILE 17 N -5.11 0.98 -2.85 2.23 -5.35 0.10 -4.88 119.36 104.48 1ucv n ILE 17 Ca 0.11 -0.63 -0.19 0.00 -0.27 0.00 0.00 62.75 61.77 1ucv n ILE 17 Cb 0.36 -0.06 0.03 0.00 -1.74 0.00 0.00 39.64 38.24 1ucv n ILE 17 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1ucv n ARG 18 N 0.49 -3.96 0.00 6.28 5.12 0.13 -4.87 116.66 119.85 1ucv n ARG 18 Ca 0.14 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 1ucv n ARG 18 Cb 0.54 -5.38 0.00 0.00 -1.16 0.00 0.00 32.46 26.45 1ucv n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1ucv n MET 19 N -3.49 -0.81 0.25 5.56 2.81 0.09 -4.68 117.12 116.85 1ucv n MET 19 Ca -0.11 -0.49 0.11 0.00 -1.81 0.00 0.00 57.70 55.39 1ucv n MET 19 Cb 0.61 -0.99 0.57 0.00 -0.71 0.00 0.00 33.22 32.70 1ucv n MET 19 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ucv h GLY 20 N 0.01 0.00 2.00 3.03 0.00 -1.76 0.24 103.07 106.59 1ucv h GLY 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ucv h GLY 20 CO 0.00 0.00 -0.03 0.07 0.00 0.00 0.00 176.54 176.58 1ucv h ARG 21 N 0.00 0.00 0.00 4.80 0.11 -1.91 -1.64 114.38 115.74 1ucv h ARG 21 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ucv h ARG 21 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1ucv h ARG 21 CO 0.00 0.03 -0.80 0.66 0.10 0.00 0.00 179.97 179.96 1ucv n TYR 22 N -3.20 0.19 -0.25 4.08 4.01 0.86 -4.47 117.16 118.37 1ucv n TYR 22 Ca -0.01 0.06 -0.07 0.00 -0.16 0.00 0.00 57.90 57.72 1ucv n TYR 22 Cb 0.23 -0.36 -0.06 0.00 -0.31 0.00 0.00 39.34 38.84 1ucv n TYR 22 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1ucv n ARG 23 N -1.78 -0.26 -0.32 -0.72 0.63 -0.62 0.20 116.66 113.78 1ucv n ARG 23 Ca 0.03 1.03 0.28 0.00 -0.92 0.00 0.00 57.85 58.28 1ucv n ARG 23 Cb 0.39 -1.52 0.52 0.00 0.45 0.00 0.00 32.46 32.30 1ucv n ARG 23 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1ucv h ASP 24 N 0.00 0.29 0.69 6.15 3.58 -1.79 0.51 116.42 125.86 1ucv h ASP 24 Ca 0.10 0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 1ucv h ASP 24 Cb 0.25 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1ucv h ASP 24 CO -0.57 -0.34 -0.45 0.45 -2.88 0.00 0.00 179.24 175.45 1ucv h HIS 25 N 0.09 -1.22 -0.75 0.28 3.86 0.20 -2.30 115.15 115.31 1ucv h HIS 25 Ca 0.79 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 60.14 1ucv h HIS 25 Cb 1.98 0.44 -0.14 0.00 1.06 0.00 0.00 27.41 30.75 1ucv h HIS 25 CO -0.06 -0.67 -0.19 0.74 0.86 0.00 0.00 177.93 178.61 1ucv h PHE 26 N -1.08 -0.41 -0.55 2.45 -1.00 -0.71 0.84 116.94 116.48 1ucv h PHE 26 Ca -0.09 0.07 0.13 0.00 2.81 0.00 0.00 57.97 60.89 1ucv h PHE 26 Cb 0.88 0.30 -0.03 0.00 3.61 0.00 0.00 35.95 40.71 1ucv h PHE 26 CO -0.11 -0.33 0.38 0.00 -1.61 0.00 0.00 178.31 176.65 1ucv h ALA 27 N 1.74 2.30 0.03 2.45 0.00 -0.39 0.48 119.26 125.86 1ucv h ALA 27 Ca 0.36 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.02 1ucv h ALA 27 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ucv h ALA 27 CO -0.77 -0.45 -1.02 0.00 0.00 0.00 0.00 179.25 177.01 1ucv h ALA 28 N 1.73 0.29 0.00 0.00 0.00 0.12 -3.13 119.26 118.26 1ucv h ALA 28 Ca 0.26 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ucv h ALA 28 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ucv h ALA 28 CO -0.04 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1ucv n GLY 29 N 1.08 -0.96 0.74 0.00 0.00 -0.18 -4.82 105.19 101.05 1ucv n GLY 29 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1ucv n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ucv n GLY 30 N 0.67 0.78 3.01 -0.02 0.00 -0.92 -5.06 105.19 103.64 1ucv n GLY 30 Ca 0.10 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1ucv n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ucv s TYR 31 N -2.00 3.12 -0.18 1.61 1.51 0.15 -4.91 117.35 116.65 1ucv s TYR 31 Ca 0.00 -2.36 0.04 0.00 -1.01 0.00 0.00 57.07 53.74 1ucv s TYR 31 Cb 0.00 -2.13 -0.05 0.00 -0.11 0.00 0.00 41.96 39.67 1ucv s TYR 31 CO 0.00 -0.88 0.17 -1.13 -1.11 0.00 0.00 175.55 172.61 1ucv n SER 32 N 4.46 0.70 -4.34 2.29 3.41 -1.26 -0.63 113.62 118.24 1ucv n SER 32 Ca -0.08 -0.52 -0.24 0.00 -0.26 0.00 0.00 58.87 57.78 1ucv n SER 32 Cb 0.42 1.03 -0.09 0.00 -0.26 0.00 0.00 64.21 65.31 1ucv n SER 32 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ucv s SER 33 N -1.55 2.61 0.04 4.04 0.01 -1.26 -3.88 113.70 113.71 1ucv s SER 33 Ca 0.01 -1.51 -0.17 0.00 1.31 0.00 0.00 55.95 55.59 1ucv s SER 33 Cb 0.03 0.18 -0.20 0.00 0.21 0.00 0.00 66.02 66.24 1ucv s SER 33 CO 0.18 -0.75 1.20 -0.07 0.41 0.00 0.00 173.24 174.21 1ucv h LEU 34 N 1.95 0.66 -0.86 2.44 -0.00 -1.93 -2.99 115.31 114.58 1ucv h LEU 34 Ca -0.39 -0.68 0.17 0.00 -0.00 0.00 0.00 57.88 56.97 1ucv h LEU 34 Cb 1.26 -0.20 -0.16 0.00 -0.00 0.00 0.00 40.66 41.56 1ucv h LEU 34 CO 0.65 1.24 -0.25 1.23 -0.00 0.00 0.00 178.44 181.31 1ucv h GLY 35 N 0.13 0.50 1.91 0.83 0.00 -1.88 0.92 103.07 105.48 1ucv h GLY 35 Ca -0.06 0.33 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 1ucv h GLY 35 CO 0.12 -0.30 -0.66 0.00 0.00 0.00 0.00 176.54 175.70 1ucv h MET 36 N -0.02 0.09 0.00 4.80 -0.00 -1.88 -3.00 114.93 114.93 1ucv h MET 36 Ca 0.39 -0.07 -0.08 0.00 -0.00 0.00 0.00 59.70 59.95 1ucv h MET 36 Cb 0.62 0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.22 1ucv h MET 36 CO -0.89 0.71 -0.38 0.28 -0.00 0.00 0.00 176.91 176.64 1ucv h VAL 37 N 0.06 0.88 0.00 -0.10 2.07 0.11 -2.86 116.25 116.42 1ucv h VAL 37 Ca -0.01 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 1ucv h VAL 37 Cb 1.17 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1ucv h VAL 37 CO 0.09 0.37 -0.32 -0.07 0.02 0.00 0.00 177.57 177.66 1ucv h LEU 38 N 0.00 0.00 -3.03 2.57 4.07 0.72 -2.93 115.31 116.71 1ucv h LEU 38 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ucv h LEU 38 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1ucv h LEU 38 CO 0.05 0.32 0.00 -2.11 -1.08 0.00 0.00 178.44 175.62 1ucv n ARG 39 N -3.34 3.99 -2.76 1.13 1.85 -1.08 -4.75 116.66 111.70 1ucv n ARG 39 Ca 0.01 -2.62 -0.22 0.00 -1.00 0.00 0.00 57.85 54.02 1ucv n ARG 39 Cb 0.54 -2.03 0.10 0.00 -1.05 0.00 0.00 32.46 30.02 1ucv n ARG 39 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1ucv n MET 40 N 0.69 0.19 -3.60 2.89 2.81 -1.11 -5.07 117.12 113.92 1ucv n MET 40 Ca 0.23 -2.93 -0.06 0.00 -1.81 0.00 0.00 57.70 53.14 1ucv n MET 40 Cb 0.96 -0.48 -0.02 0.00 -0.71 0.00 0.00 33.22 32.97 1ucv n MET 40 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ucv s ASN 41 N -4.90 -0.26 0.30 7.83 4.22 -1.26 -4.97 114.94 115.89 1ucv s ASN 41 Ca 0.65 -0.15 0.23 0.00 -2.14 0.00 0.00 52.86 51.45 1ucv s ASN 41 Cb -0.04 0.38 1.00 0.00 1.28 0.00 0.00 41.25 43.87 1ucv s ASN 41 CO 0.42 -0.66 1.02 0.00 -2.04 0.00 0.00 177.10 175.84 1ucv n ALA 42 N -0.33 0.96 0.16 3.54 0.00 -1.26 0.18 120.51 123.76 1ucv n ALA 42 Ca -0.07 0.54 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 1ucv n ALA 42 Cb 0.61 -0.70 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 1ucv n ALA 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ucv h GLN 43 N 0.00 -0.37 0.47 0.00 1.08 -1.99 -1.30 115.11 113.00 1ucv h GLN 43 Ca 0.58 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.78 1ucv h GLN 43 Cb 1.96 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.48 1ucv h GLN 43 CO -0.25 -0.11 -0.23 -0.44 -0.95 0.00 0.00 178.83 176.86 1ucv h ASP 44 N -0.60 -0.53 -0.67 1.46 3.32 0.15 -3.18 116.42 116.37 1ucv h ASP 44 Ca -0.04 -0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.08 1ucv h ASP 44 Cb 0.43 0.14 -0.12 0.00 0.22 0.00 0.00 39.33 40.00 1ucv h ASP 44 CO 0.06 -0.12 -0.31 0.58 -1.72 0.00 0.00 179.24 177.74 1ucv h VAL 45 N -1.10 0.17 -1.04 -1.35 2.07 -1.24 0.38 116.25 114.14 1ucv h VAL 45 Ca -0.06 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.74 1ucv h VAL 45 Cb 0.55 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 30.37 1ucv h VAL 45 CO 0.11 0.00 0.63 -0.09 0.02 0.00 0.00 177.57 178.24 1ucv h ARG 46 N -0.11 0.42 -0.48 1.57 9.65 -1.31 0.60 114.38 124.73 1ucv h ARG 46 Ca 0.27 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.09 1ucv h ARG 46 Cb 0.55 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.02 1ucv h ARG 46 CO -0.73 0.28 0.14 0.00 2.80 0.00 0.00 179.97 182.46 1ucv h ALA 47 N 1.72 1.36 -0.06 2.80 0.00 -0.23 -1.84 119.26 123.02 1ucv h ALA 47 Ca 0.67 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.43 1ucv h ALA 47 Cb 1.52 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ucv h ALA 47 CO -0.45 0.46 0.08 -0.07 0.00 0.00 0.00 179.25 179.27 1ucv h LEU 48 N 0.69 0.00 0.00 0.00 3.38 0.47 -3.45 115.31 116.40 1ucv h LEU 48 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ucv h LEU 48 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ucv h LEU 48 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1ucv n GLY 49 N -1.32 1.47 3.55 0.83 0.00 -0.69 -4.81 105.19 104.22 1ucv n GLY 49 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1ucv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ucv s ILE 50 N -1.49 3.52 -0.02 -0.61 1.09 -1.26 -4.70 121.20 117.74 1ucv s ILE 50 Ca 0.00 0.31 0.04 0.00 -1.10 0.00 0.00 60.65 59.90 1ucv s ILE 50 Cb 0.00 -4.35 -0.06 0.00 -1.06 0.00 0.00 42.46 37.00 1ucv s ILE 50 CO 0.00 -1.29 0.06 0.35 -0.10 0.00 0.00 174.94 173.96 1ucv n THR 51 N 6.87 0.12 -1.44 2.92 -2.24 -1.26 -4.13 114.28 115.11 1ucv n THR 51 Ca 0.13 -0.12 -0.51 0.00 -2.27 0.00 0.00 64.05 61.28 1ucv n THR 51 Cb 0.51 -0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.50 1ucv n THR 51 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ucv n LEU 52 N -1.86 2.08 -0.32 3.22 4.32 -1.26 -4.65 117.00 118.53 1ucv n LEU 52 Ca -0.03 0.41 0.16 0.00 -0.02 0.00 0.00 56.01 56.54 1ucv n LEU 52 Cb 0.33 -1.25 0.33 0.00 -1.62 0.00 0.00 43.42 41.21 1ucv n LEU 52 CO 0.08 -0.74 0.88 0.24 -1.22 0.00 0.00 177.39 176.64 1ucv h MET 53 N 12.32 0.06 -0.83 3.23 2.86 -1.97 1.11 114.93 131.73 1ucv h MET 53 Ca -0.26 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.52 1ucv h MET 53 Cb 1.32 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.91 1ucv h MET 53 CO 1.02 0.04 0.54 0.78 1.06 0.00 0.00 176.91 180.36 1ucv h GLY 54 N 0.07 0.95 0.00 8.32 0.00 -2.01 -2.15 103.07 108.24 1ucv h GLY 54 Ca 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1ucv h GLY 54 CO -0.82 0.07 -0.76 1.42 0.00 0.00 0.00 176.54 176.45 1ucv n HIS 55 N -4.52 0.55 -0.43 5.60 -0.00 0.33 -4.12 115.22 112.63 1ucv n HIS 55 Ca 0.16 0.24 0.36 0.00 -0.00 0.00 0.00 57.72 58.48 1ucv n HIS 55 Cb 0.51 -0.68 0.59 0.00 -0.00 0.00 0.00 29.99 30.40 1ucv n HIS 55 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1ucv n GLN 56 N -4.54 -0.02 -0.09 -0.41 6.02 0.18 0.24 117.38 118.76 1ucv n GLN 56 Ca -0.11 1.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.76 1ucv n GLN 56 Cb 0.39 -2.04 -0.04 0.00 1.02 0.00 0.00 30.24 29.56 1ucv n GLN 56 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1ucv h LYS 57 N 0.00 0.52 0.80 -1.09 1.79 -1.58 -2.00 116.57 115.01 1ucv h LYS 57 Ca 0.74 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.96 1ucv h LYS 57 Cb 2.52 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 33.15 1ucv h LYS 57 CO -0.30 0.75 -0.44 0.87 -1.08 0.00 0.00 179.45 179.25 1ucv h LYS 58 N 0.26 -1.10 0.10 3.15 6.56 0.30 0.73 116.57 126.56 1ucv h LYS 58 Ca 0.06 0.08 0.01 0.00 -1.06 0.00 0.00 60.65 59.73 1ucv h LYS 58 Cb 0.58 0.25 -0.03 0.00 -0.57 0.00 0.00 32.23 32.46 1ucv h LYS 58 CO 0.03 -0.73 -0.36 0.82 -2.06 0.00 0.00 179.45 177.15 1ucv h ILE 59 N -1.14 0.00 0.47 1.86 2.04 -1.54 0.32 117.51 119.52 1ucv h ILE 59 Ca -0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1ucv h ILE 59 Cb 0.90 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1ucv h ILE 59 CO 0.15 0.00 -0.48 -0.07 0.00 0.00 0.00 178.15 177.75 1ucv h LEU 60 N -0.52 -1.32 -0.99 1.44 3.38 -1.41 0.50 115.31 116.39 1ucv h LEU 60 Ca -0.01 0.11 0.25 0.00 0.09 0.00 0.00 57.88 58.33 1ucv h LEU 60 Cb 0.52 0.44 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1ucv h LEU 60 CO -0.19 -0.64 0.57 1.23 0.09 0.00 0.00 178.44 179.50 1ucv h GLY 61 N -0.96 1.89 1.75 0.83 0.00 0.58 0.44 103.07 107.60 1ucv h GLY 61 Ca -0.05 -0.28 -0.14 0.00 0.00 0.00 0.00 47.33 46.85 1ucv h GLY 61 CO -0.07 -0.29 -0.59 1.76 0.00 0.00 0.00 176.54 177.35 1ucv h SER 62 N 0.52 0.30 0.16 0.19 0.02 0.21 -3.24 113.55 111.71 1ucv h SER 62 Ca 0.65 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.42 1ucv h SER 62 Cb 1.28 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ucv h SER 62 CO -0.50 0.82 -0.08 0.40 -1.14 0.00 0.00 176.83 176.33 1ucv h ILE 63 N 0.20 0.86 -1.43 3.27 2.04 0.20 -2.13 117.51 120.52 1ucv h ILE 63 Ca -0.00 -1.12 0.45 0.00 1.00 0.00 0.00 64.86 65.19 1ucv h ILE 63 Cb 1.09 1.43 -0.11 0.00 -0.74 0.00 0.00 36.82 38.49 1ucv h ILE 63 CO 0.09 0.22 0.95 0.06 0.00 0.00 0.00 178.15 179.47 1ucv h GLN 64 N -0.85 0.07 0.00 2.37 -0.00 -0.70 1.92 115.11 117.92 1ucv h GLN 64 Ca -0.02 -0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.47 1ucv h GLN 64 Cb 0.53 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 27.97 1ucv h GLN 64 CO 0.04 0.04 -1.16 0.00 -0.00 0.00 0.00 178.83 177.75 1ucv h THR 65 N 0.07 0.62 0.02 1.86 1.03 -1.57 -2.77 112.91 112.17 1ucv h THR 65 Ca 0.82 -2.08 -0.20 0.00 -0.01 0.00 0.00 66.41 64.94 1ucv h THR 65 Cb 2.75 2.15 -0.02 0.00 -1.07 0.00 0.00 68.15 71.97 1ucv h THR 65 CO -0.32 0.36 -0.92 0.24 -0.01 0.00 0.00 175.52 174.87 1ucv h MET 66 N 0.00 0.12 0.02 0.00 2.86 0.35 -3.28 114.93 115.00 1ucv h MET 66 Ca -0.12 -0.15 -0.26 0.00 -2.06 0.00 0.00 59.70 57.11 1ucv h MET 66 Cb 1.53 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.21 1ucv h MET 66 CO 0.05 0.95 -1.43 0.07 1.06 0.00 0.00 176.91 177.62 1ucv h ARG 67 N 0.06 0.04 -0.84 1.72 0.11 -0.42 -3.33 114.38 111.71 1ucv h ARG 67 Ca -0.04 -0.07 0.12 0.00 0.10 0.00 0.00 59.98 60.10 1ucv h ARG 67 Cb 1.58 0.03 -0.06 0.00 1.11 0.00 0.00 29.97 32.63 1ucv h ARG 67 CO 0.13 0.78 0.55 0.00 0.10 0.00 0.00 179.97 181.53 1ucv h ALA 68 N 0.91 1.82 -0.96 0.08 0.00 -1.55 -0.57 119.26 119.01 1ucv h ALA 68 Ca -0.18 0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.97 1ucv h ALA 68 Cb 1.92 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 1ucv h ALA 68 CO 0.11 -0.03 0.63 -0.56 0.00 0.00 0.00 179.25 179.40 1ucv h GLN 69 N 0.69 0.34 0.05 0.00 3.07 -1.67 0.26 115.11 117.85 1ucv h GLN 69 Ca 0.41 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 59.13 1ucv h GLN 69 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.10 1ucv h GLN 69 CO -0.17 0.23 -0.02 -0.07 0.09 0.00 0.00 178.83 178.88 1ucv h LEU 70 N 0.35 -0.06 -0.53 0.06 3.38 -1.24 -3.27 115.31 114.01 1ucv h LEU 70 Ca 0.51 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.53 1ucv h LEU 70 Cb 1.36 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.08 1ucv h LEU 70 CO -0.19 -0.04 0.27 0.00 0.09 0.00 0.00 178.44 178.57 1ucv h THR 71 N -0.07 0.95 -3.15 0.22 1.03 -1.58 -3.43 112.91 106.88 1ucv h THR 71 Ca -0.01 -0.18 -0.57 0.00 -0.01 0.00 0.00 66.41 65.65 1ucv h THR 71 Cb 0.05 0.39 0.18 0.00 -1.07 0.00 0.00 68.15 67.71 1ucv h THR 71 CO 0.01 0.09 -0.41 -0.24 -0.01 0.00 0.00 175.52 174.97 1ucv n SER 72 N -4.88 -1.21 0.26 0.00 2.88 0.87 -4.91 113.62 106.64 1ucv n SER 72 Ca 0.05 0.62 -0.16 0.00 -1.33 0.00 0.00 58.87 58.05 1ucv n SER 72 Cb 0.14 -1.20 -0.08 0.00 -0.75 0.00 0.00 64.21 62.32 1ucv n SER 72 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1ucv h THR 73 N -0.25 0.35 -3.07 2.46 2.02 -1.84 -3.42 112.91 109.16 1ucv h THR 73 Ca -0.45 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.12 1ucv h THR 73 Cb 1.36 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 1ucv h THR 73 CO 0.43 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 176.13 1ucv s GLN 74 N -6.04 3.99 0.00 6.66 0.00 -1.26 -4.65 119.66 118.36 1ucv s GLN 74 Ca -0.17 0.43 0.00 0.00 -0.00 0.00 0.00 55.36 55.62 1ucv s GLN 74 Cb 0.05 -3.25 0.00 0.00 0.00 0.00 0.00 33.01 29.81 1ucv s GLN 74 CO 0.63 0.62 0.00 0.41 0.00 0.00 0.00 175.29 176.95 1ucv n GLY 75 N 2.00 0.93 0.09 2.60 0.00 -1.26 -4.75 105.19 104.80 1ucv n GLY 75 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1ucv n GLY 75 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ucv n SER 76 N 0.00 1.93 0.00 1.61 2.88 -1.26 -4.09 113.62 114.69 1ucv n SER 76 Ca 0.00 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1ucv n SER 76 Cb 0.00 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1ucv n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ucv n GLY 77 N 1.44 3.71 0.36 0.46 0.00 -1.26 -4.89 105.19 105.02 1ucv n GLY 77 Ca -0.18 -1.64 0.12 0.00 0.00 0.00 0.00 46.02 44.32 1ucv n GLY 77 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ucv h PRO 78 N 0.00 0.75 -3.36 1.61 0.11 -2.03 -3.45 132.00 125.64 1ucv h PRO 78 Ca 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1ucv h PRO 78 Cb 0.00 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 30.89 1ucv h PRO 78 CO 0.00 0.49 0.09 -1.54 -0.21 0.00 0.00 178.00 176.83 1ucv s SER 79 N -5.51 0.08 -0.10 -2.05 1.04 -1.26 -5.14 113.70 100.75 1ucv s SER 79 Ca -0.11 -1.02 -0.25 0.00 0.48 0.00 0.00 55.95 55.05 1ucv s SER 79 Cb 0.24 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 67.06 1ucv s SER 79 CO 0.80 -1.40 0.80 -0.55 0.98 0.00 0.00 173.24 173.87 1ucv s SER 80 N -3.05 7.03 0.00 7.02 0.15 -1.26 -5.15 113.70 118.45 1ucv s SER 80 Ca 0.19 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1ucv s SER 80 Cb -0.03 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1ucv s SER 80 CO 0.11 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.91