#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 -0.68 -3.57 1.61 2.88 -1.26 -5.04 113.62 107.57 1ucv n SER 2 Ca 0.00 0.45 -0.15 0.00 -1.33 0.00 0.00 58.87 57.84 1ucv n SER 2 Cb 0.00 -1.34 -0.06 0.00 -0.75 0.00 0.00 64.21 62.06 1ucv n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ucv s SER 3 N -2.10 -0.59 0.25 -3.46 1.04 -1.26 -5.19 113.70 102.39 1ucv s SER 3 Ca 0.64 0.81 0.05 0.00 0.48 0.00 0.00 55.95 57.94 1ucv s SER 3 Cb -0.25 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1ucv s SER 3 CO 0.60 -0.44 0.23 0.61 0.98 0.00 0.00 173.24 175.22 1ucv n GLY 4 N 1.35 3.11 3.32 7.32 0.00 -1.26 -5.15 105.19 113.88 1ucv n GLY 4 Ca -0.15 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 1ucv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ucv s SER 5 N -2.73 4.15 0.27 1.61 1.04 -1.26 -5.10 113.70 111.68 1ucv s SER 5 Ca 0.29 -0.38 -0.10 0.00 0.48 0.00 0.00 55.95 56.24 1ucv s SER 5 Cb 0.01 -1.68 -0.00 0.00 0.10 0.00 0.00 66.02 64.45 1ucv s SER 5 CO 0.21 0.05 0.47 -0.55 0.98 0.00 0.00 173.24 174.40 1ucv s SER 6 N 1.07 0.11 0.00 7.02 0.15 -1.26 -3.85 113.70 116.94 1ucv s SER 6 Ca 0.00 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.59 1ucv s SER 6 Cb -0.15 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1ucv s SER 6 CO -0.01 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 173.86 1ucv n GLY 7 N -0.42 -1.61 3.28 9.45 0.00 -1.26 -5.03 105.19 109.60 1ucv n GLY 7 Ca -0.01 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 1ucv n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ucv n LEU 8 N -1.41 0.00 -4.76 0.99 -0.00 -1.26 -5.06 117.00 105.50 1ucv n LEU 8 Ca 0.00 -1.72 -0.32 0.00 -0.00 0.00 0.00 56.01 53.97 1ucv n LEU 8 Cb 0.00 -0.58 -0.07 0.00 -0.00 0.00 0.00 43.42 42.76 1ucv n LEU 8 CO 0.00 -0.96 -0.27 0.28 -0.00 0.00 0.00 177.39 176.44 1ucv s THR 9 N -2.68 4.55 0.53 1.47 -1.32 -1.26 -4.14 115.64 112.79 1ucv s THR 9 Ca 0.57 -0.55 0.32 0.00 -1.21 0.00 0.00 61.69 60.81 1ucv s THR 9 Cb -0.03 -3.10 0.47 0.00 -1.51 0.00 0.00 72.50 68.33 1ucv s THR 9 CO 0.38 0.29 1.25 0.52 -2.21 0.00 0.00 174.62 174.85 1ucv n VAL 10 N 1.02 0.00 -0.04 5.08 0.31 -1.26 0.10 118.33 123.53 1ucv n VAL 10 Ca -0.12 1.21 -0.14 0.00 -0.01 0.00 0.00 64.34 65.28 1ucv n VAL 10 Cb 0.52 -2.11 -0.12 0.00 -0.91 0.00 0.00 33.84 31.23 1ucv n VAL 10 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1ucv h GLY 11 N 0.00 0.00 0.05 2.92 0.00 -1.93 -2.50 103.07 101.62 1ucv h GLY 11 Ca 0.59 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.95 1ucv h GLY 11 CO -0.01 0.01 -0.43 -0.55 0.00 0.00 0.00 176.54 175.56 1ucv h ASP 12 N -0.77 -1.34 0.80 0.19 5.19 0.27 0.36 116.42 121.13 1ucv h ASP 12 Ca -0.00 0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.54 1ucv h ASP 12 Cb 0.78 0.54 -0.00 0.00 0.18 0.00 0.00 39.33 40.82 1ucv h ASP 12 CO 0.00 -0.45 -0.47 -0.25 -3.12 0.00 0.00 179.24 174.95 1ucv h TRP 13 N -0.53 -1.25 -0.98 4.55 7.01 -1.66 -2.66 115.95 120.42 1ucv h TRP 13 Ca 0.06 -0.02 0.27 0.00 2.11 0.00 0.00 58.89 61.31 1ucv h TRP 13 Cb 0.64 0.44 -0.13 0.00 -2.10 0.00 0.00 29.16 28.01 1ucv h TRP 13 CO -0.47 -0.71 0.55 -0.07 -2.79 0.00 0.00 178.44 174.94 1ucv h LEU 14 N -1.19 0.55 -0.99 0.65 3.38 -1.28 0.36 115.31 116.80 1ucv h LEU 14 Ca -0.11 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.17 1ucv h LEU 14 Cb 0.94 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.69 1ucv h LEU 14 CO 0.12 -0.00 0.61 -0.78 0.09 0.00 0.00 178.44 178.48 1ucv h ASP 15 N 0.46 0.83 -0.77 -0.43 1.82 0.08 0.23 116.42 118.65 1ucv h ASP 15 Ca 0.66 0.07 0.14 0.00 -0.39 0.00 0.00 57.03 57.52 1ucv h ASP 15 Cb 1.35 -0.08 -0.10 0.00 0.68 0.00 0.00 39.33 41.18 1ucv h ASP 15 CO -0.53 0.38 0.32 -1.28 -1.61 0.00 0.00 179.24 176.52 1ucv h SER 16 N 0.86 0.32 -0.54 2.28 0.87 -0.13 0.28 113.55 117.49 1ucv h SER 16 Ca 0.53 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1ucv h SER 16 Cb 0.68 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1ucv h SER 16 CO -0.32 0.12 0.00 2.30 -0.53 0.00 0.00 176.83 178.39 1ucv n ILE 17 N -4.98 1.45 -3.66 2.23 -5.35 -0.34 -4.92 119.36 103.79 1ucv n ILE 17 Ca 0.15 -0.95 -0.26 0.00 -0.27 0.00 0.00 62.75 61.42 1ucv n ILE 17 Cb 0.42 0.07 0.06 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.91 -7.05 0.00 6.28 5.12 0.98 -4.87 116.66 118.03 1ucv n ARG 18 Ca 0.21 0.76 0.01 0.00 -1.93 0.00 0.00 57.85 56.90 1ucv n ARG 18 Cb 0.74 -5.76 0.01 0.00 -1.16 0.00 0.00 32.46 26.29 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 -4.86 -0.16 0.26 5.56 2.81 0.68 -4.67 117.12 116.74 1ucv n MET 19 Ca 0.01 -0.56 0.10 0.00 -1.81 0.00 0.00 57.70 55.44 1ucv n MET 19 Cb 0.55 -1.00 0.51 0.00 -0.71 0.00 0.00 33.22 32.57 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 0.35 0.00 2.00 3.03 0.00 -1.78 0.20 103.07 106.87 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 -0.04 0.07 0.00 0.00 0.00 176.54 176.57 1ucv h ARG 21 N 0.00 0.00 0.00 4.80 0.11 -1.91 -0.25 114.38 117.13 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 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.93 1ucv h ARG 21 CO 0.00 0.04 -0.69 0.66 0.10 0.00 0.00 179.97 180.08 1ucv n TYR 22 N -3.85 0.29 -0.13 4.08 4.01 0.70 -4.47 117.16 117.79 1ucv n TYR 22 Ca -0.03 0.08 -0.03 0.00 -0.16 0.00 0.00 57.90 57.76 1ucv n TYR 22 Cb 0.13 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 38.68 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 -1.86 -0.13 -0.27 -0.72 0.63 -0.10 0.18 116.66 114.39 1ucv n ARG 23 Ca 0.04 0.84 0.22 0.00 -0.92 0.00 0.00 57.85 58.03 1ucv n ARG 23 Cb 0.40 -1.24 0.42 0.00 0.45 0.00 0.00 32.46 32.49 1ucv n ARG 23 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ucv n ASP 24 N -3.63 0.18 0.34 6.15 9.92 -1.26 0.37 116.55 128.61 1ucv n ASP 24 Ca 0.01 1.37 -0.18 0.00 -0.53 0.00 0.00 54.79 55.45 1ucv n ASP 24 Cb 0.08 -0.62 -0.09 0.00 -0.64 0.00 0.00 41.12 39.85 1ucv n ASP 24 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 1ucv h HIS 25 N 0.00 -1.23 -0.81 1.24 3.86 0.15 -2.75 115.15 115.62 1ucv h HIS 25 Ca 0.64 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 60.01 1ucv h HIS 25 Cb 1.62 0.46 -0.15 0.00 1.06 0.00 0.00 27.41 30.39 1ucv h HIS 25 CO -0.12 -0.65 -0.20 0.74 0.86 0.00 0.00 177.93 178.56 1ucv h PHE 26 N -1.01 -0.44 -0.75 2.45 -1.00 0.04 1.02 116.94 117.26 1ucv h PHE 26 Ca -0.07 0.07 0.20 0.00 2.81 0.00 0.00 57.97 60.98 1ucv h PHE 26 Cb 0.85 0.32 -0.04 0.00 3.61 0.00 0.00 35.95 40.69 1ucv h PHE 26 CO -0.17 -0.35 0.52 0.00 -1.61 0.00 0.00 178.31 176.70 1ucv h ALA 27 N 1.80 2.53 0.16 2.45 0.00 -0.89 0.36 119.26 125.66 1ucv h ALA 27 Ca 0.39 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.98 1ucv h ALA 27 Cb 0.59 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ucv h ALA 27 CO -0.83 -0.74 -1.30 0.00 0.00 0.00 0.00 179.25 176.38 1ucv h ALA 28 N 1.64 0.00 0.00 0.00 0.00 0.13 -3.20 119.26 117.83 1ucv h ALA 28 Ca 0.36 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ucv h ALA 28 Cb 1.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ucv h ALA 28 CO -0.05 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1ucv n GLY 29 N 1.49 -0.71 0.52 0.00 0.00 -0.02 -4.79 105.19 101.67 1ucv n GLY 29 Ca -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.36 0.84 2.99 -0.02 0.00 -0.87 -5.04 105.19 103.45 1ucv n GLY 30 Ca 0.12 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 3.55 -0.78 1.61 1.51 0.11 -4.92 117.35 116.44 1ucv s TYR 31 Ca 0.00 -2.87 0.11 0.00 -1.01 0.00 0.00 57.07 53.30 1ucv s TYR 31 Cb 0.00 -2.79 0.32 0.00 -0.11 0.00 0.00 41.96 39.38 1ucv s TYR 31 CO 0.00 -0.94 1.26 0.45 -1.11 0.00 0.00 175.55 175.21 1ucv n SER 32 N 4.31 3.00 -3.62 2.29 2.88 -1.26 -1.23 113.62 119.99 1ucv n SER 32 Ca 0.03 -2.14 -0.09 0.00 -1.33 0.00 0.00 58.87 55.34 1ucv n SER 32 Cb 0.42 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 1ucv n SER 32 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ucv s SER 33 N -1.13 0.04 0.05 -3.46 0.01 -1.26 -4.51 113.70 103.45 1ucv s SER 33 Ca 0.24 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.41 1ucv s SER 33 Cb 0.14 0.69 -0.31 0.00 0.21 0.00 0.00 66.02 66.75 1ucv s SER 33 CO 0.14 -1.33 1.07 -0.07 0.41 0.00 0.00 173.24 173.46 1ucv h LEU 34 N 2.11 0.69 -1.41 2.44 -0.00 -1.92 -3.14 115.31 114.09 1ucv h LEU 34 Ca -0.26 -0.72 0.48 0.00 -0.00 0.00 0.00 57.88 57.38 1ucv h LEU 34 Cb 1.25 -0.22 -0.13 0.00 -0.00 0.00 0.00 40.66 41.55 1ucv h LEU 34 CO 0.34 1.56 0.92 0.61 -0.00 0.00 0.00 178.44 181.86 1ucv n GLY 35 N 1.59 -0.84 0.12 0.83 0.00 -1.25 0.50 105.19 106.14 1ucv n GLY 35 Ca -0.13 0.74 -0.16 0.00 0.00 0.00 0.00 46.02 46.47 1ucv n GLY 35 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ucv n MET 36 N -4.62 0.70 -0.25 1.61 -0.00 -1.25 -4.25 117.12 109.06 1ucv n MET 36 Ca 0.40 0.21 0.03 0.00 -0.00 0.00 0.00 57.70 58.34 1ucv n MET 36 Cb 1.58 -1.66 0.25 0.00 -0.00 0.00 0.00 33.22 33.39 1ucv n MET 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1ucv h VAL 37 N 0.03 1.12 -0.01 3.17 2.07 0.11 -0.37 116.25 122.36 1ucv h VAL 37 Ca -0.44 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1ucv h VAL 37 Cb 2.03 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1ucv h VAL 37 CO 0.04 0.18 0.03 -0.07 0.02 0.00 0.00 177.57 177.78 1ucv h LEU 38 N 1.00 0.00 -3.33 2.57 -0.00 -0.83 0.83 115.31 115.55 1ucv h LEU 38 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 1ucv h LEU 38 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1ucv h LEU 38 CO -0.10 0.00 0.00 -2.11 -0.00 0.00 0.00 178.44 176.23 1ucv n ARG 39 N -3.40 3.38 -3.42 1.13 1.85 -0.17 -4.70 116.66 111.33 1ucv n ARG 39 Ca -0.03 -2.92 -0.23 0.00 -1.00 0.00 0.00 57.85 53.67 1ucv n ARG 39 Cb 0.11 -1.94 -0.01 0.00 -1.05 0.00 0.00 32.46 29.57 1ucv n ARG 39 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1ucv s MET 40 N -2.81 3.42 0.27 2.89 -1.94 0.28 -5.07 119.30 116.33 1ucv s MET 40 Ca 0.45 -0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 53.88 1ucv s MET 40 Cb 0.36 -2.69 -0.00 0.00 2.01 0.00 0.00 34.83 34.51 1ucv s MET 40 CO 0.10 0.14 0.48 -0.80 -0.01 0.00 0.00 175.02 174.93 1ucv s ASN 41 N -4.05 0.07 0.21 3.03 0.01 -1.26 -4.85 114.94 108.09 1ucv s ASN 41 Ca 0.40 -1.04 -0.06 0.00 -0.71 0.00 0.00 52.86 51.45 1ucv s ASN 41 Cb -0.10 0.60 0.35 0.00 0.41 0.00 0.00 41.25 42.52 1ucv s ASN 41 CO 0.35 -1.18 1.19 0.00 -1.51 0.00 0.00 177.10 175.95 1ucv n ALA 42 N -0.41 0.19 -0.28 0.60 0.00 -1.26 0.22 120.51 119.56 1ucv n ALA 42 Ca -0.01 0.84 0.05 0.00 0.00 0.00 0.00 53.44 54.31 1ucv n ALA 42 Cb 0.62 -0.50 0.19 0.00 0.00 0.00 0.00 19.45 19.75 1ucv n ALA 42 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ucv h GLN 43 N 0.00 0.64 0.06 0.00 5.75 -1.99 0.30 115.11 119.87 1ucv h GLN 43 Ca 0.37 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1ucv h GLN 43 Cb 0.56 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1ucv h GLN 43 CO -0.78 0.42 -0.03 -0.44 -2.65 0.00 0.00 178.83 175.35 1ucv h ASP 44 N 0.66 -0.07 -0.31 -0.69 3.32 0.23 -3.22 116.42 116.33 1ucv h ASP 44 Ca 0.42 -0.48 0.07 0.00 0.02 0.00 0.00 57.03 57.06 1ucv h ASP 44 Cb 0.51 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.99 1ucv h ASP 44 CO -0.31 0.62 -0.28 0.58 -1.72 0.00 0.00 179.24 178.13 1ucv h VAL 45 N -0.94 0.32 -0.77 -1.35 2.07 -0.09 -1.09 116.25 114.39 1ucv h VAL 45 Ca -0.01 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.69 1ucv h VAL 45 Cb 0.55 0.32 -0.12 0.00 -1.52 0.00 0.00 31.29 30.51 1ucv h VAL 45 CO 0.01 0.00 0.14 -0.09 0.02 0.00 0.00 177.57 177.66 1ucv h ARG 46 N -0.25 0.20 -0.86 1.57 1.12 -0.52 0.38 114.38 116.02 1ucv h ARG 46 Ca 0.15 -0.01 0.16 0.00 -1.11 0.00 0.00 59.98 59.17 1ucv h ARG 46 Cb 0.50 -0.05 -0.07 0.00 -0.01 0.00 0.00 29.97 30.35 1ucv h ARG 46 CO -0.45 0.13 0.56 0.00 -3.11 0.00 0.00 179.97 177.10 1ucv h ALA 47 N 1.68 1.96 0.00 2.80 0.00 -1.21 0.22 119.26 124.71 1ucv h ALA 47 Ca 0.45 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1ucv h ALA 47 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ucv h ALA 47 CO -0.59 -0.21 -0.17 -0.07 0.00 0.00 0.00 179.25 178.22 1ucv h LEU 48 N 0.58 0.00 0.00 0.00 3.38 -0.02 -3.47 115.31 115.78 1ucv h LEU 48 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ucv h LEU 48 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ucv h LEU 48 CO -0.18 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1ucv n GLY 49 N -0.84 1.32 3.57 0.83 0.00 0.78 -4.74 105.19 106.10 1ucv n GLY 49 Ca -0.02 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.47 3.20 -0.00 -0.61 1.09 -1.25 -4.69 121.20 118.47 1ucv s ILE 50 Ca 0.00 0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.72 1ucv s ILE 50 Cb 0.00 -3.40 -0.00 0.00 -1.06 0.00 0.00 42.46 38.00 1ucv s ILE 50 CO 0.00 -0.34 0.00 0.35 -0.10 0.00 0.00 174.94 174.85 1ucv n THR 51 N 7.62 0.01 -1.44 2.92 -2.24 -1.26 -3.86 114.28 116.02 1ucv n THR 51 Ca 0.28 -0.00 -0.49 0.00 -2.27 0.00 0.00 64.05 61.56 1ucv n THR 51 Cb 0.50 -0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.99 1.86 -0.35 3.22 4.32 -1.26 -4.61 117.00 118.19 1ucv n LEU 52 Ca -0.00 0.32 -0.04 0.00 -0.02 0.00 0.00 56.01 56.27 1ucv n LEU 52 Cb 0.49 -1.23 -0.01 0.00 -1.62 0.00 0.00 43.42 41.05 1ucv n LEU 52 CO 0.00 -0.81 0.49 0.23 -1.22 0.00 0.00 177.39 176.08 1ucv n MET 53 N 8.25 -0.27 -0.37 3.23 2.81 -1.26 0.13 117.12 129.64 1ucv n MET 53 Ca 0.44 1.36 0.30 0.00 -1.81 0.00 0.00 57.70 58.00 1ucv n MET 53 Cb 0.22 -2.01 0.56 0.00 -0.71 0.00 0.00 33.22 31.28 1ucv n MET 53 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1ucv h GLY 54 N 0.00 1.84 0.00 3.03 0.00 -2.01 -0.19 103.07 105.74 1ucv h GLY 54 Ca 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1ucv h GLY 54 CO -0.87 -0.53 -0.68 1.42 0.00 0.00 0.00 176.54 175.88 1ucv n HIS 55 N -4.97 0.73 -0.27 5.60 -0.00 0.34 -4.07 115.22 112.59 1ucv n HIS 55 Ca 0.35 0.32 0.24 0.00 -0.00 0.00 0.00 57.72 58.62 1ucv n HIS 55 Cb 1.21 -0.74 0.44 0.00 -0.00 0.00 0.00 29.99 30.90 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 -4.57 -0.05 -0.18 -0.41 6.02 0.19 0.23 117.38 118.61 1ucv n GLN 56 Ca -0.11 1.15 -0.08 0.00 -0.01 0.00 0.00 57.00 57.96 1ucv n GLN 56 Cb 0.35 -2.02 0.02 0.00 1.02 0.00 0.00 30.24 29.61 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 0.74 0.24 -1.09 1.79 -1.23 -1.40 116.57 115.63 1ucv h LYS 57 Ca 0.66 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 59.02 1ucv h LYS 57 Cb 1.69 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1ucv h LYS 57 CO -0.66 0.60 -0.15 0.87 -1.08 0.00 0.00 179.45 179.03 1ucv h LYS 58 N 0.70 -0.35 -0.04 3.15 6.56 0.27 0.70 116.57 127.56 1ucv h LYS 58 Ca 0.18 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.81 1ucv h LYS 58 Cb 0.09 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.80 1ucv h LYS 58 CO -0.03 -0.24 -0.24 0.82 -2.06 0.00 0.00 179.45 177.71 1ucv h ILE 59 N -0.37 0.00 0.08 1.86 2.04 -1.51 1.01 117.51 120.63 1ucv h ILE 59 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1ucv h ILE 59 Cb 0.29 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.32 1ucv h ILE 59 CO 0.03 0.00 -0.49 -0.07 0.00 0.00 0.00 178.15 177.62 1ucv h LEU 60 N -0.27 -1.48 -2.16 1.44 3.38 -1.33 0.63 115.31 115.51 1ucv h LEU 60 Ca 0.01 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1ucv h LEU 60 Cb 0.30 0.56 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1ucv h LEU 60 CO -0.18 -0.52 0.24 1.23 0.09 0.00 0.00 178.44 179.30 1ucv h GLY 61 N -0.69 0.00 2.00 0.83 0.00 0.62 0.13 103.07 105.96 1ucv h GLY 61 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 1ucv h GLY 61 CO -0.30 0.00 -0.66 0.23 0.00 0.00 0.00 176.54 175.81 1ucv h SER 62 N 0.00 0.00 0.00 0.19 0.87 0.30 -3.28 113.55 111.63 1ucv h SER 62 Ca 0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1ucv h SER 62 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1ucv h SER 62 CO -0.00 0.66 -0.13 0.40 -0.53 0.00 0.00 176.83 177.23 1ucv h ILE 63 N 0.00 0.77 -1.26 2.23 2.04 0.13 -2.65 117.51 118.76 1ucv h ILE 63 Ca -0.01 -1.61 0.41 0.00 1.00 0.00 0.00 64.86 64.65 1ucv h ILE 63 Cb 1.46 1.49 -0.13 0.00 -0.74 0.00 0.00 36.82 38.90 1ucv h ILE 63 CO 0.09 0.26 0.81 0.06 0.00 0.00 0.00 178.15 179.37 1ucv h GLN 64 N -1.00 0.13 0.00 2.37 3.07 -1.35 1.23 115.11 119.56 1ucv h GLN 64 Ca -0.02 -0.01 -0.24 0.00 0.09 0.00 0.00 58.65 58.46 1ucv h GLN 64 Cb 0.52 -0.03 -0.04 0.00 0.08 0.00 0.00 27.48 28.02 1ucv h GLN 64 CO -0.01 0.08 -1.29 0.00 0.09 0.00 0.00 178.83 177.70 1ucv h THR 65 N 0.13 1.37 -0.13 1.86 1.03 -1.67 -2.30 112.91 113.20 1ucv h THR 65 Ca 0.79 -3.13 -0.10 0.00 -0.01 0.00 0.00 66.41 63.96 1ucv h THR 65 Cb 2.40 2.68 -0.01 0.00 -1.07 0.00 0.00 68.15 72.14 1ucv h THR 65 CO -0.42 0.78 -0.36 0.24 -0.01 0.00 0.00 175.52 175.75 1ucv h MET 66 N 0.00 0.26 0.05 0.00 2.86 0.18 -3.12 114.93 115.16 1ucv h MET 66 Ca -0.12 -0.11 -0.31 0.00 -2.06 0.00 0.00 59.70 57.10 1ucv h MET 66 Cb 1.87 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.49 1ucv h MET 66 CO 0.11 0.59 -1.71 0.07 1.06 0.00 0.00 176.91 177.04 1ucv h ARG 67 N 0.22 0.10 -0.93 1.72 0.11 -0.97 -3.37 114.38 111.26 1ucv h ARG 67 Ca 0.03 -0.17 0.27 0.00 0.10 0.00 0.00 59.98 60.21 1ucv h ARG 67 Cb 0.75 0.06 -0.15 0.00 1.11 0.00 0.00 29.97 31.75 1ucv h ARG 67 CO 0.06 0.78 0.37 0.00 0.10 0.00 0.00 179.97 181.28 1ucv h ALA 68 N 0.71 1.56 -0.55 0.08 0.00 -1.35 0.51 119.26 120.21 1ucv h ALA 68 Ca -0.30 0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1ucv h ALA 68 Cb 2.00 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 20.03 1ucv h ALA 68 CO 0.10 -0.51 -0.03 -0.56 0.00 0.00 0.00 179.25 178.24 1ucv h GLN 69 N 0.25 0.98 0.00 0.00 3.07 -1.71 -2.24 115.11 115.46 1ucv h GLN 69 Ca 0.63 -0.31 0.00 0.00 0.09 0.00 0.00 58.65 59.06 1ucv h GLN 69 Cb 1.35 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.82 1ucv h GLN 69 CO -0.64 0.98 0.05 1.28 0.09 0.00 0.00 178.83 180.59 1ucv n LEU 70 N -4.17 0.26 -3.45 0.06 4.77 0.18 -3.94 117.00 110.70 1ucv n LEU 70 Ca 0.02 0.60 -0.22 0.00 -0.03 0.00 0.00 56.01 56.38 1ucv n LEU 70 Cb 0.35 -0.62 -0.12 0.00 -2.33 0.00 0.00 43.42 40.71 1ucv n LEU 70 CO 0.44 -0.69 -0.24 0.42 -1.33 0.00 0.00 177.39 176.00 1ucv s THR 71 N -3.22 -0.27 0.00 -5.08 -4.23 -0.84 -5.12 115.64 96.88 1ucv s THR 71 Ca -0.01 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1ucv s THR 71 Cb 0.03 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.89 1ucv s THR 71 CO 0.09 -0.57 0.00 -0.24 -0.54 0.00 0.00 174.62 173.36 1ucv n SER 72 N 5.29 -3.01 -1.10 3.99 2.88 -1.25 -4.82 113.62 115.60 1ucv n SER 72 Ca -0.04 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.43 1ucv n SER 72 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1ucv n SER 72 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ucv n THR 73 N -1.00 0.00 -0.61 2.46 5.66 -1.26 -4.31 114.28 115.21 1ucv n THR 73 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1ucv n THR 73 Cb 0.00 -0.71 0.20 0.00 -1.55 0.00 0.00 70.33 68.27 1ucv n THR 73 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ucv n GLN 74 N -1.32 -1.71 0.00 1.09 10.64 -1.26 -4.83 117.38 119.99 1ucv n GLN 74 Ca -0.07 -0.47 0.00 0.00 -1.83 0.00 0.00 57.00 54.63 1ucv n GLN 74 Cb 0.25 -1.96 0.00 0.00 -0.86 0.00 0.00 30.24 27.67 1ucv n GLN 74 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ucv n GLY 75 N 1.42 1.04 0.33 2.61 0.00 -1.26 -5.02 105.19 104.30 1ucv n GLY 75 Ca 0.03 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1ucv n GLY 75 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ucv h SER 76 N 0.00 -0.66 -2.44 1.61 0.02 -1.99 -3.49 113.55 106.60 1ucv h SER 76 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ucv h SER 76 Cb 0.00 0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1ucv h SER 76 CO 0.00 -0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.04 1ucv n GLY 77 N -0.30 -0.71 3.09 -3.77 0.00 -1.26 -5.06 105.19 97.18 1ucv n GLY 77 Ca -0.10 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1ucv n GLY 77 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ucv n PRO 78 N -0.35 -2.72 -3.57 1.61 -0.02 -1.26 -5.04 135.00 123.65 1ucv n PRO 78 Ca 0.00 -0.80 -0.17 0.00 -2.02 0.00 0.00 63.50 60.50 1ucv n PRO 78 Cb 0.00 -1.59 -0.14 0.00 -0.02 0.00 0.00 33.50 31.75 1ucv n PRO 78 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1ucv s SER 79 N -2.18 1.07 -0.12 2.55 0.01 -1.26 -5.14 113.70 108.62 1ucv s SER 79 Ca 0.44 0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.72 1ucv s SER 79 Cb -0.08 0.39 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 1ucv s SER 79 CO 0.41 -0.29 -0.01 -0.55 0.41 0.00 0.00 173.24 173.21 1ucv s SER 80 N 2.33 5.05 0.00 2.44 0.15 -1.26 -5.26 113.70 117.15 1ucv s SER 80 Ca 0.05 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ucv s SER 80 Cb -0.14 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1ucv s SER 80 CO -0.10 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.22