#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucv h SER 2 N 0.00 0.13 -3.82 1.61 0.02 -2.09 -3.42 113.55 105.98 1ucv h SER 2 Ca 0.00 -0.63 -0.67 0.00 -0.84 0.00 0.00 61.79 59.65 1ucv h SER 2 Cb 0.00 -0.04 -0.37 0.00 0.14 0.00 0.00 62.40 62.13 1ucv h SER 2 CO 0.00 0.74 -0.77 -0.55 -1.14 0.00 0.00 176.83 175.10 1ucv s SER 3 N -6.01 4.56 0.00 3.07 0.15 -1.26 -4.89 113.70 109.32 1ucv s SER 3 Ca -0.16 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 54.95 1ucv s SER 3 Cb 0.01 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1ucv s SER 3 CO 0.71 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1ucv n GLY 4 N 4.42 0.89 3.81 9.45 0.00 -1.26 -5.12 105.19 117.38 1ucv n GLY 4 Ca -0.10 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 6.58 0.58 1.61 0.15 -1.26 -3.32 113.70 118.05 1ucv s SER 5 Ca 0.00 0.69 -0.20 0.00 0.70 0.00 0.00 55.95 57.14 1ucv s SER 5 Cb 0.00 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.09 1ucv s SER 5 CO 0.00 0.27 1.34 -0.94 1.20 0.00 0.00 173.24 175.11 1ucv s SER 6 N -0.54 5.01 -0.07 5.45 1.04 -1.26 -4.07 113.70 119.26 1ucv s SER 6 Ca 0.19 2.73 -0.06 0.00 0.48 0.00 0.00 55.95 59.29 1ucv s SER 6 Cb -0.14 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.36 1ucv s SER 6 CO 0.08 -1.74 0.11 0.61 0.98 0.00 0.00 173.24 173.27 1ucv n GLY 7 N 0.79 0.03 3.69 7.32 0.00 -1.26 -4.99 105.19 110.78 1ucv n GLY 7 Ca 0.12 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 0.94 0.00 -4.74 0.99 -0.00 -1.26 -5.15 117.00 107.79 1ucv n LEU 8 Ca -0.01 -3.22 -0.31 0.00 -0.00 0.00 0.00 56.01 52.46 1ucv n LEU 8 Cb 0.47 0.35 -0.07 0.00 -0.00 0.00 0.00 43.42 44.16 1ucv n LEU 8 CO 0.09 -0.46 -0.29 0.28 -0.00 0.00 0.00 177.39 177.01 1ucv s THR 9 N -2.86 4.40 0.54 1.47 -1.32 -1.26 -4.21 115.64 112.40 1ucv s THR 9 Ca 0.01 -0.68 0.33 0.00 -1.21 0.00 0.00 61.69 60.14 1ucv s THR 9 Cb -0.00 -3.06 0.49 0.00 -1.51 0.00 0.00 72.50 68.42 1ucv s THR 9 CO 0.01 0.23 1.28 0.52 -2.21 0.00 0.00 174.62 174.45 1ucv n VAL 10 N 0.85 0.00 -0.03 5.08 0.31 -1.24 0.12 118.33 123.41 1ucv n VAL 10 Ca -0.11 1.24 -0.14 0.00 -0.01 0.00 0.00 64.34 65.31 1ucv n VAL 10 Cb 0.52 -2.15 -0.11 0.00 -0.91 0.00 0.00 33.84 31.20 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 0.14 0.13 2.92 0.00 -1.89 -2.74 103.07 101.63 1ucv h GLY 11 Ca 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1ucv h GLY 11 CO -0.01 0.19 -0.32 -0.55 0.00 0.00 0.00 176.54 175.85 1ucv h ASP 12 N -0.51 -0.95 0.11 0.19 5.19 0.49 0.34 116.42 121.29 1ucv h ASP 12 Ca -0.01 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1ucv h ASP 12 Cb 0.83 0.34 -0.04 0.00 0.18 0.00 0.00 39.33 40.65 1ucv h ASP 12 CO 0.03 -0.36 -0.44 -0.25 -3.12 0.00 0.00 179.24 175.10 1ucv h TRP 13 N -0.50 -1.28 -0.76 4.55 7.01 -1.68 -2.01 115.95 121.29 1ucv h TRP 13 Ca -0.01 0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.20 1ucv h TRP 13 Cb 0.48 0.54 -0.13 0.00 -2.10 0.00 0.00 29.16 27.95 1ucv h TRP 13 CO -0.35 -0.50 0.03 -0.07 -2.79 0.00 0.00 178.44 174.76 1ucv h LEU 14 N -0.64 -0.31 -1.12 0.65 3.38 -1.41 0.38 115.31 116.24 1ucv h LEU 14 Ca -0.01 0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.35 1ucv h LEU 14 Cb 0.64 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 1ucv h LEU 14 CO -0.23 -0.17 0.61 -0.78 0.09 0.00 0.00 178.44 177.96 1ucv h ASP 15 N 0.12 0.70 -0.68 -0.43 3.58 0.39 0.31 116.42 120.41 1ucv h ASP 15 Ca 0.42 0.08 0.11 0.00 0.42 0.00 0.00 57.03 58.06 1ucv h ASP 15 Cb 0.74 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 41.67 1ucv h ASP 15 CO -0.66 0.26 0.27 -1.28 -2.88 0.00 0.00 179.24 174.95 1ucv h SER 16 N 0.69 0.27 -0.40 2.28 0.87 0.32 0.21 113.55 117.80 1ucv h SER 16 Ca 0.56 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1ucv h SER 16 Cb 0.97 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1ucv h SER 16 CO -0.33 0.14 0.00 2.30 -0.53 0.00 0.00 176.83 178.41 1ucv n ILE 17 N -4.98 1.15 -2.44 2.23 -5.35 -0.15 -4.88 119.36 104.94 1ucv n ILE 17 Ca 0.11 -0.73 -0.17 0.00 -0.27 0.00 0.00 62.75 61.70 1ucv n ILE 17 Cb 0.33 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 0.59 -1.92 -0.00 6.28 1.74 0.75 -4.87 116.66 119.23 1ucv n ARG 18 Ca 0.16 0.80 0.02 0.00 -0.77 0.00 0.00 57.85 58.06 1ucv n ARG 18 Cb 0.61 -5.25 0.02 0.00 -1.02 0.00 0.00 32.46 26.81 1ucv n ARG 18 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1ucv n MET 19 N -2.79 -0.26 0.15 5.56 2.81 0.91 -4.64 117.12 118.86 1ucv n MET 19 Ca -0.18 -0.80 0.06 0.00 -1.81 0.00 0.00 57.70 54.98 1ucv n MET 19 Cb 0.64 -1.09 0.34 0.00 -0.71 0.00 0.00 33.22 32.40 1ucv n MET 19 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ucv n GLY 20 N 0.24 -0.60 0.21 3.03 0.00 -0.97 -0.24 105.19 106.85 1ucv n GLY 20 Ca 0.03 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1ucv n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ucv h ARG 21 N 0.00 0.00 -0.00 1.61 0.11 -1.90 -2.23 114.38 111.97 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 0.53 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.61 1ucv h ARG 21 CO 0.00 0.28 -0.44 0.66 0.10 0.00 0.00 179.97 180.58 1ucv n TYR 22 N -3.77 0.00 -0.30 4.08 4.01 0.67 -4.29 117.16 117.55 1ucv n TYR 22 Ca -0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.79 1ucv n TYR 22 Cb 0.38 -0.19 0.17 0.00 -0.31 0.00 0.00 39.34 39.39 1ucv n TYR 22 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1ucv h ARG 23 N 0.46 0.03 -0.89 -0.72 0.11 -1.46 1.05 114.38 112.95 1ucv h ARG 23 Ca 0.00 -0.00 0.21 0.00 0.10 0.00 0.00 59.98 60.29 1ucv h ARG 23 Cb 0.51 -0.01 -0.06 0.00 1.11 0.00 0.00 29.97 31.52 1ucv h ARG 23 CO 0.00 0.02 0.60 -0.44 0.10 0.00 0.00 179.97 180.25 1ucv h ASP 24 N 0.03 0.35 0.32 0.08 5.19 -1.78 -1.50 116.42 119.10 1ucv h ASP 24 Ca 0.46 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.89 1ucv h ASP 24 Cb 0.80 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1ucv h ASP 24 CO -0.84 0.14 -0.15 0.45 -3.12 0.00 0.00 179.24 175.71 1ucv h HIS 25 N 0.34 -0.40 -0.61 4.55 3.86 0.85 -2.96 115.15 120.79 1ucv h HIS 25 Ca 0.46 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.79 1ucv h HIS 25 Cb 1.24 0.13 -0.11 0.00 1.06 0.00 0.00 27.41 29.73 1ucv h HIS 25 CO -0.00 -0.13 -0.12 0.74 0.86 0.00 0.00 177.93 179.28 1ucv h PHE 26 N -0.62 -0.26 -0.30 2.45 -1.00 -1.09 0.59 116.94 116.71 1ucv h PHE 26 Ca -0.04 0.05 0.09 0.00 2.81 0.00 0.00 57.97 60.88 1ucv h PHE 26 Cb 0.44 0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1ucv h PHE 26 CO -0.01 -0.24 0.29 0.00 -1.61 0.00 0.00 178.31 176.74 1ucv h ALA 27 N 1.60 2.04 0.09 2.45 0.00 -0.02 0.46 119.26 125.88 1ucv h ALA 27 Ca 0.30 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.94 1ucv h ALA 27 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ucv h ALA 27 CO -0.61 -0.44 -1.23 0.00 0.00 0.00 0.00 179.25 176.97 1ucv h ALA 28 N 1.71 0.21 -0.13 0.00 0.00 0.30 -3.24 119.26 118.10 1ucv h ALA 28 Ca 0.14 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1ucv h ALA 28 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ucv h ALA 28 CO -0.00 1.09 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1ucv n GLY 29 N 1.50 -0.06 0.98 0.00 0.00 0.06 -4.82 105.19 102.86 1ucv n GLY 29 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.62 0.73 2.97 -0.02 0.00 -1.01 -5.04 105.19 103.43 1ucv n GLY 30 Ca 0.04 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 3.36 -0.30 1.61 1.51 0.14 -4.90 117.35 116.77 1ucv s TYR 31 Ca 0.00 -2.75 0.08 0.00 -1.01 0.00 0.00 57.07 53.39 1ucv s TYR 31 Cb 0.00 -2.68 -0.10 0.00 -0.11 0.00 0.00 41.96 39.07 1ucv s TYR 31 CO 0.00 -0.93 0.31 0.45 -1.11 0.00 0.00 175.55 174.27 1ucv n SER 32 N 4.37 1.02 -4.58 2.29 2.88 -1.26 0.13 113.62 118.46 1ucv n SER 32 Ca 0.03 -0.53 -0.28 0.00 -1.33 0.00 0.00 58.87 56.76 1ucv n SER 32 Cb 0.42 1.09 -0.10 0.00 -0.75 0.00 0.00 64.21 64.87 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 -2.07 3.56 0.01 -3.46 0.01 -1.26 -3.73 113.70 106.77 1ucv s SER 33 Ca 0.02 -1.45 -0.18 0.00 1.31 0.00 0.00 55.95 55.64 1ucv s SER 33 Cb 0.06 -0.07 -0.32 0.00 0.21 0.00 0.00 66.02 65.90 1ucv s SER 33 CO 0.35 -0.60 1.00 -0.07 0.41 0.00 0.00 173.24 174.33 1ucv h LEU 34 N 1.75 0.73 -0.91 2.44 -0.00 -1.92 -3.17 115.31 114.23 1ucv h LEU 34 Ca -0.43 -0.89 0.26 0.00 -0.00 0.00 0.00 57.88 56.81 1ucv h LEU 34 Cb 1.26 -0.24 -0.15 0.00 -0.00 0.00 0.00 40.66 41.54 1ucv h LEU 34 CO 0.76 1.56 0.27 1.23 -0.00 0.00 0.00 178.44 182.26 1ucv h GLY 35 N 0.02 1.48 1.83 0.83 0.00 -1.97 1.31 103.07 106.57 1ucv h GLY 35 Ca -0.20 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1ucv h GLY 35 CO 0.22 -0.41 -0.12 1.15 0.00 0.00 0.00 176.54 177.37 1ucv n MET 36 N -5.23 0.27 0.07 4.80 0.00 -1.25 -3.57 117.12 112.21 1ucv n MET 36 Ca 0.23 0.19 -0.17 0.00 0.00 0.00 0.00 57.70 57.95 1ucv n MET 36 Cb 0.75 -1.78 -0.14 0.00 0.00 0.00 0.00 33.22 32.05 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 0.00 1.19 0.00 3.17 2.07 0.15 -3.19 116.25 119.64 1ucv h VAL 37 Ca 0.00 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.71 1ucv h VAL 37 Cb 0.74 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1ucv h VAL 37 CO 0.00 0.83 0.00 -0.07 0.02 0.00 0.00 177.57 178.35 1ucv h LEU 38 N 0.07 0.00 -2.15 2.57 -0.00 -0.51 -1.16 115.31 114.13 1ucv h LEU 38 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1ucv h LEU 38 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.68 1ucv h LEU 38 CO 0.17 0.00 0.00 -2.11 -0.00 0.00 0.00 178.44 176.50 1ucv n ARG 39 N -2.75 2.08 -1.58 1.13 -4.01 -1.24 -4.69 116.66 105.61 1ucv n ARG 39 Ca -0.00 -1.94 -0.26 0.00 -1.04 0.00 0.00 57.85 54.60 1ucv n ARG 39 Cb 0.18 -1.40 0.19 0.00 -3.04 0.00 0.00 32.46 28.39 1ucv n ARG 39 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 1ucv n MET 40 N 1.13 -1.44 -3.59 2.89 2.81 -0.44 -5.10 117.12 113.38 1ucv n MET 40 Ca 0.14 -1.79 -0.07 0.00 -1.81 0.00 0.00 57.70 54.17 1ucv n MET 40 Cb 0.50 -1.26 -0.02 0.00 -0.71 0.00 0.00 33.22 31.73 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 -5.16 -0.31 0.24 7.83 2.20 -1.26 -4.99 114.94 113.50 1ucv s ASN 41 Ca 0.67 -0.14 0.02 0.00 -0.94 0.00 0.00 52.86 52.47 1ucv s ASN 41 Cb -0.02 0.43 0.62 0.00 -2.00 0.00 0.00 41.25 40.28 1ucv s ASN 41 CO 0.47 -0.73 1.22 0.00 -2.94 0.00 0.00 177.10 175.12 1ucv n ALA 42 N -0.33 0.42 -0.25 3.54 0.00 -1.26 0.21 120.51 122.85 1ucv n ALA 42 Ca -0.08 0.83 0.02 0.00 0.00 0.00 0.00 53.44 54.21 1ucv n ALA 42 Cb 0.62 -0.62 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 0.58 0.01 0.00 5.75 -1.99 0.30 115.11 119.76 1ucv h GLN 43 Ca 0.48 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.95 1ucv h GLN 43 Cb 1.02 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.44 1ucv h GLN 43 CO -0.72 0.38 -0.01 -0.44 -2.65 0.00 0.00 178.83 175.39 1ucv h ASP 44 N 0.59 -0.02 -0.15 -0.69 3.32 0.21 -3.27 116.42 116.43 1ucv h ASP 44 Ca 0.36 -0.78 0.05 0.00 0.02 0.00 0.00 57.03 56.68 1ucv h ASP 44 Cb 0.39 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1ucv h ASP 44 CO -0.28 0.82 -0.29 0.58 -1.72 0.00 0.00 179.24 178.36 1ucv h VAL 45 N -0.91 0.34 -0.89 -1.35 2.07 -0.39 -1.38 116.25 113.75 1ucv h VAL 45 Ca -0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.75 1ucv h VAL 45 Cb 0.79 0.34 -0.14 0.00 -1.52 0.00 0.00 31.29 30.76 1ucv h VAL 45 CO 0.00 0.00 0.30 -0.09 0.02 0.00 0.00 177.57 177.80 1ucv h ARG 46 N -0.35 0.26 -0.59 1.57 1.12 -0.55 0.74 114.38 116.58 1ucv h ARG 46 Ca 0.10 -0.02 0.12 0.00 -1.11 0.00 0.00 59.98 59.08 1ucv h ARG 46 Cb 0.51 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.38 1ucv h ARG 46 CO -0.35 0.17 0.40 0.00 -3.11 0.00 0.00 179.97 177.08 1ucv h ALA 47 N 1.76 2.16 0.00 2.80 0.00 -1.30 0.17 119.26 124.85 1ucv h ALA 47 Ca 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1ucv h ALA 47 Cb 1.13 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ucv h ALA 47 CO -0.61 -0.30 -0.11 -0.07 0.00 0.00 0.00 179.25 178.15 1ucv h LEU 48 N 0.29 0.00 0.00 0.00 3.38 0.63 -3.46 115.31 116.15 1ucv h LEU 48 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1ucv h LEU 48 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ucv h LEU 48 CO -0.06 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1ucv n GLY 49 N -0.69 0.74 3.55 0.83 0.00 0.58 -4.84 105.19 105.38 1ucv n GLY 49 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.10 3.28 -0.01 -0.61 1.09 -1.26 -4.67 121.20 117.93 1ucv s ILE 50 Ca 0.00 0.16 0.01 0.00 -1.10 0.00 0.00 60.65 59.72 1ucv s ILE 50 Cb 0.00 -3.73 -0.02 0.00 -1.06 0.00 0.00 42.46 37.66 1ucv s ILE 50 CO 0.00 -0.70 0.02 0.35 -0.10 0.00 0.00 174.94 174.51 1ucv n THR 51 N 7.39 0.03 -1.44 2.92 -2.24 -1.26 -4.17 114.28 115.51 1ucv n THR 51 Ca 0.24 -0.03 -0.49 0.00 -2.27 0.00 0.00 64.05 61.49 1ucv n THR 51 Cb 0.53 -0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.74 1.87 -0.34 3.22 4.77 -1.26 -4.63 117.00 118.89 1ucv n LEU 52 Ca -0.01 0.33 0.14 0.00 -0.03 0.00 0.00 56.01 56.44 1ucv n LEU 52 Cb 0.23 -1.23 0.28 0.00 -2.33 0.00 0.00 43.42 40.37 1ucv n LEU 52 CO 0.02 -0.81 0.79 0.24 -1.33 0.00 0.00 177.39 176.30 1ucv h MET 53 N 12.76 0.00 -0.87 3.23 2.86 -1.97 1.32 114.93 132.27 1ucv h MET 53 Ca -0.23 -0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.55 1ucv h MET 53 Cb 1.32 -0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.91 1ucv h MET 53 CO 1.07 0.00 0.56 0.78 1.06 0.00 0.00 176.91 180.39 1ucv h GLY 54 N 0.00 1.11 0.00 8.32 0.00 -2.01 -2.07 103.07 108.42 1ucv h GLY 54 Ca 0.59 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 1ucv h GLY 54 CO -0.94 0.08 -0.70 1.42 0.00 0.00 0.00 176.54 176.40 1ucv n HIS 55 N -4.55 0.74 -0.26 5.60 8.25 0.39 -4.18 115.22 121.21 1ucv n HIS 55 Ca 0.17 0.32 0.22 0.00 -0.26 0.00 0.00 57.72 58.17 1ucv n HIS 55 Cb 0.50 -0.75 0.41 0.00 1.12 0.00 0.00 29.99 31.27 1ucv n HIS 55 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ucv n GLN 56 N -4.57 -0.05 -0.18 -0.41 6.02 0.21 0.23 117.38 118.63 1ucv n GLN 56 Ca -0.11 1.12 -0.05 0.00 -0.01 0.00 0.00 57.00 57.94 1ucv n GLN 56 Cb 0.36 -1.95 0.04 0.00 1.02 0.00 0.00 30.24 29.70 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 0.64 0.54 -1.09 1.57 -1.56 -0.05 116.57 116.61 1ucv h LYS 57 Ca 0.63 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.35 1ucv h LYS 57 Cb 1.60 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1ucv h LYS 57 CO -0.65 0.42 -0.30 0.87 -0.57 0.00 0.00 179.45 179.23 1ucv h LYS 58 N 0.66 -0.74 0.10 3.15 6.56 0.27 1.18 116.57 127.74 1ucv h LYS 58 Ca 0.22 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1ucv h LYS 58 Cb 0.01 0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 1ucv h LYS 58 CO -0.09 -0.49 -0.25 0.82 -2.06 0.00 0.00 179.45 177.37 1ucv h ILE 59 N -0.77 0.00 0.29 1.86 2.04 -1.45 0.29 117.51 119.77 1ucv h ILE 59 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1ucv h ILE 59 Cb 0.60 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1ucv h ILE 59 CO 0.10 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.82 1ucv h LEU 60 N -0.39 -0.98 -0.77 1.44 3.38 -1.08 -0.69 115.31 116.22 1ucv h LEU 60 Ca -0.01 0.09 0.18 0.00 0.09 0.00 0.00 57.88 58.23 1ucv h LEU 60 Cb 0.38 0.34 -0.12 0.00 0.09 0.00 0.00 40.66 41.35 1ucv h LEU 60 CO -0.11 -0.48 0.13 1.23 0.09 0.00 0.00 178.44 179.30 1ucv h GLY 61 N -0.69 1.03 0.83 0.83 0.00 0.15 0.20 103.07 105.42 1ucv h GLY 61 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ucv h GLY 61 CO -0.10 -0.26 0.01 0.23 0.00 0.00 0.00 176.54 176.42 1ucv h SER 62 N 0.20 0.05 0.82 0.19 0.87 -0.00 -3.23 113.55 112.45 1ucv h SER 62 Ca 0.44 -0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1ucv h SER 62 Cb 0.79 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1ucv h SER 62 CO -0.58 0.21 -0.50 0.40 -0.53 0.00 0.00 176.83 175.83 1ucv h ILE 63 N -0.12 0.00 -0.79 2.23 2.04 0.13 0.72 117.51 121.72 1ucv h ILE 63 Ca 0.01 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.16 1ucv h ILE 63 Cb 0.18 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.17 1ucv h ILE 63 CO -0.00 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.64 1ucv n GLN 64 N -5.61 -0.03 -0.09 2.37 -0.00 0.57 0.27 117.38 114.86 1ucv n GLN 64 Ca -0.15 0.80 -0.10 0.00 -0.00 0.00 0.00 57.00 57.55 1ucv n GLN 64 Cb 0.51 -1.53 -0.16 0.00 -0.00 0.00 0.00 30.24 29.06 1ucv n GLN 64 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1ucv n THR 65 N -4.05 1.42 0.32 -0.39 5.66 -0.95 -3.73 114.28 112.56 1ucv n THR 65 Ca 0.25 -0.85 0.21 0.00 -3.05 0.00 0.00 64.05 60.60 1ucv n THR 65 Cb 0.92 -0.55 1.03 0.00 -1.55 0.00 0.00 70.33 70.18 1ucv n THR 65 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 1ucv h MET 66 N 0.00 0.00 0.06 1.09 4.05 1.02 -2.62 114.93 118.53 1ucv h MET 66 Ca -0.51 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 58.54 1ucv h MET 66 Cb 2.21 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.97 1ucv h MET 66 CO 0.04 0.01 -2.15 2.89 0.23 0.00 0.00 176.91 177.92 1ucv n ARG 67 N -3.13 0.70 -0.29 0.39 1.85 0.39 -3.84 116.66 112.74 1ucv n ARG 67 Ca -0.02 0.21 0.08 0.00 -1.00 0.00 0.00 57.85 57.12 1ucv n ARG 67 Cb 0.15 -1.64 0.20 0.00 -1.05 0.00 0.00 32.46 30.12 1ucv n ARG 67 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ucv h ALA 68 N 0.26 0.91 -0.15 2.89 0.00 -1.55 0.23 119.26 121.85 1ucv h ALA 68 Ca -0.47 0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1ucv h ALA 68 Cb 2.01 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.27 1ucv h ALA 68 CO 0.03 -0.46 -0.69 -0.56 0.00 0.00 0.00 179.25 177.57 1ucv h GLN 69 N 0.09 0.62 -7.18 0.00 3.07 -1.75 -3.46 115.11 106.50 1ucv h GLN 69 Ca 0.47 -0.47 -0.39 0.00 0.09 0.00 0.00 58.65 58.35 1ucv h GLN 69 Cb 0.87 0.08 0.21 0.00 0.08 0.00 0.00 27.48 28.73 1ucv h GLN 69 CO -0.74 1.09 -0.02 -0.51 0.09 0.00 0.00 178.83 178.73 1ucv s LEU 70 N -8.28 -0.51 -0.93 0.06 2.01 0.80 -3.65 118.68 108.18 1ucv s LEU 70 Ca -0.08 0.70 0.00 0.00 0.01 0.00 0.00 54.13 54.75 1ucv s LEU 70 Cb 0.10 -2.19 0.00 0.00 0.01 0.00 0.00 46.19 44.11 1ucv s LEU 70 CO 0.87 -4.98 0.00 0.35 1.01 0.00 0.00 176.35 173.59 1ucv n THR 71 N -5.35 -0.50 -3.82 5.49 -2.24 -1.26 -4.93 114.28 101.67 1ucv n THR 71 Ca 0.14 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 1ucv n THR 71 Cb 0.60 -1.53 -0.03 0.00 -2.10 0.00 0.00 70.33 67.28 1ucv n THR 71 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ucv s SER 72 N -2.02 6.36 0.13 3.42 0.01 -1.24 -5.02 113.70 115.34 1ucv s SER 72 Ca 0.00 0.28 -0.14 0.00 1.31 0.00 0.00 55.95 57.40 1ucv s SER 72 Cb 0.00 -1.96 -0.01 0.00 0.21 0.00 0.00 66.02 64.27 1ucv s SER 72 CO 0.00 -0.01 1.58 0.00 0.41 0.00 0.00 173.24 175.23 1ucv h THR 73 N 1.55 1.26 -3.19 1.44 1.03 -1.91 -3.43 112.91 109.65 1ucv h THR 73 Ca -0.48 -1.02 -0.58 0.00 -0.01 0.00 0.00 66.41 64.32 1ucv h THR 73 Cb 1.20 1.08 -0.04 0.00 -1.07 0.00 0.00 68.15 69.31 1ucv h THR 73 CO 0.68 0.35 -0.12 -1.58 -0.01 0.00 0.00 175.52 174.83 1ucv s GLN 74 N -5.02 3.99 0.00 0.00 0.74 -1.26 -4.92 119.66 113.19 1ucv s GLN 74 Ca -0.13 0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.77 1ucv s GLN 74 Cb 0.10 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 31.12 1ucv s GLN 74 CO 0.80 0.59 0.00 0.41 -0.55 0.00 0.00 175.29 176.54 1ucv n GLY 75 N 1.32 -0.76 0.13 2.59 0.00 -1.26 -5.05 105.19 102.16 1ucv n GLY 75 Ca -0.09 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 0.53 -0.23 1.61 0.02 -1.98 -3.50 113.55 110.00 1ucv h SER 76 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 1ucv h SER 76 Cb 0.00 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1ucv h SER 76 CO 0.00 1.69 0.00 0.61 -1.14 0.00 0.00 176.83 177.99 1ucv n GLY 77 N 1.79 0.65 3.69 -3.77 0.00 -1.26 -4.92 105.19 101.37 1ucv n GLY 77 Ca -0.24 -0.64 -0.52 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.05 1.74 -3.82 1.61 -0.02 -1.26 -1.49 135.00 131.71 1ucv n PRO 78 Ca 0.00 0.64 -0.25 0.00 -2.02 0.00 0.00 63.50 61.87 1ucv n PRO 78 Cb 0.01 -2.41 0.02 0.00 -0.02 0.00 0.00 33.50 31.10 1ucv n PRO 78 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ucv n SER 79 N 5.84 -1.96 -4.65 2.55 2.88 -1.26 -4.95 113.62 112.07 1ucv n SER 79 Ca 0.24 -0.85 -0.37 0.00 -1.33 0.00 0.00 58.87 56.56 1ucv n SER 79 Cb 0.23 -3.77 -0.10 0.00 -0.75 0.00 0.00 64.21 59.82 1ucv n SER 79 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ucv s SER 80 N -4.07 6.11 0.00 -3.46 0.15 -0.55 -5.17 113.70 106.70 1ucv s SER 80 Ca 0.19 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1ucv s SER 80 Cb -0.10 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1ucv s SER 80 CO 0.84 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.92