#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 1.93 -0.02 1.61 2.88 -1.26 -4.62 113.62 114.14 1ucv n SER 2 Ca 0.00 0.36 -0.12 0.00 -1.33 0.00 0.00 58.87 57.78 1ucv n SER 2 Cb 0.00 -0.81 -0.07 0.00 -0.75 0.00 0.00 64.21 62.58 1ucv n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ucv h SER 3 N -1.00 0.15 -5.00 -3.46 0.87 -2.10 -3.49 113.55 99.52 1ucv h SER 3 Ca -0.41 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1ucv h SER 3 Cb 1.33 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1ucv h SER 3 CO -0.25 0.39 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 1ucv n GLY 4 N -0.36 2.64 3.74 5.77 0.00 -1.26 -5.03 105.19 110.69 1ucv n GLY 4 Ca -0.06 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1ucv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ucv s SER 5 N 0.00 5.58 0.38 1.61 0.01 -1.26 -4.85 113.70 115.18 1ucv s SER 5 Ca 0.00 0.23 -0.24 0.00 1.31 0.00 0.00 55.95 57.25 1ucv s SER 5 Cb 0.00 -1.64 -0.09 0.00 0.21 0.00 0.00 66.02 64.49 1ucv s SER 5 CO 0.00 0.38 1.03 -0.55 0.41 0.00 0.00 173.24 174.50 1ucv s SER 6 N -1.01 6.88 0.00 2.44 0.15 -1.26 -4.89 113.70 116.01 1ucv s SER 6 Ca 0.15 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.79 1ucv s SER 6 Cb -0.12 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1ucv s SER 6 CO 0.04 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.69 1ucv n GLY 7 N 0.36 0.06 3.94 9.45 0.00 -1.26 -5.13 105.19 112.60 1ucv n GLY 7 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.98 2.67 0.06 0.99 0.05 -1.26 -5.12 118.68 113.09 1ucv s LEU 8 Ca 0.00 -1.24 0.02 0.00 0.05 0.00 0.00 54.13 52.96 1ucv s LEU 8 Cb 0.00 -1.15 -0.04 0.00 -2.05 0.00 0.00 46.19 42.95 1ucv s LEU 8 CO 0.00 -1.22 0.07 0.28 -0.55 0.00 0.00 176.35 174.92 1ucv s THR 9 N -2.80 4.50 0.58 5.48 -1.32 -1.26 -4.17 115.64 116.66 1ucv s THR 9 Ca 0.37 -0.70 0.28 0.00 -1.21 0.00 0.00 61.69 60.43 1ucv s THR 9 Cb -0.03 -3.13 0.41 0.00 -1.51 0.00 0.00 72.50 68.24 1ucv s THR 9 CO 0.23 0.19 1.27 0.52 -2.21 0.00 0.00 174.62 174.63 1ucv n VAL 10 N 0.69 0.00 -0.04 5.08 0.31 -1.25 0.87 118.33 123.99 1ucv n VAL 10 Ca -0.10 1.24 -0.14 0.00 -0.01 0.00 0.00 64.34 65.32 1ucv n VAL 10 Cb 0.52 -2.20 -0.12 0.00 -0.91 0.00 0.00 33.84 31.13 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 0.07 0.12 2.92 0.00 -1.91 -2.62 103.07 101.66 1ucv h GLY 11 Ca 0.52 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.76 1ucv h GLY 11 CO -0.01 0.11 -0.43 -0.55 0.00 0.00 0.00 176.54 175.66 1ucv h ASP 12 N -0.72 -1.31 0.60 0.19 5.19 0.10 0.35 116.42 120.82 1ucv h ASP 12 Ca -0.01 0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 1ucv h ASP 12 Cb 0.90 0.51 -0.00 0.00 0.18 0.00 0.00 39.33 40.92 1ucv h ASP 12 CO 0.02 -0.46 -0.35 -0.25 -3.12 0.00 0.00 179.24 175.08 1ucv h TRP 13 N -0.57 -0.92 -0.84 4.55 7.01 -1.66 -2.87 115.95 120.65 1ucv h TRP 13 Ca 0.05 -0.01 0.21 0.00 2.11 0.00 0.00 58.89 61.25 1ucv h TRP 13 Cb 0.66 0.32 -0.15 0.00 -2.10 0.00 0.00 29.16 27.89 1ucv h TRP 13 CO -0.44 -0.53 0.07 -0.07 -2.79 0.00 0.00 178.44 174.69 1ucv h LEU 14 N -0.88 -0.28 -0.81 0.65 3.38 -1.37 0.31 115.31 116.31 1ucv h LEU 14 Ca -0.08 0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.29 1ucv h LEU 14 Cb 0.69 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1ucv h LEU 14 CO 0.10 -0.21 0.26 -0.78 0.09 0.00 0.00 178.44 177.90 1ucv h ASP 15 N 0.11 0.13 -0.76 -0.43 3.58 -0.11 0.29 116.42 119.23 1ucv h ASP 15 Ca 0.49 0.15 0.14 0.00 0.42 0.00 0.00 57.03 58.23 1ucv h ASP 15 Cb 0.94 0.18 -0.09 0.00 1.72 0.00 0.00 39.33 42.07 1ucv h ASP 15 CO -0.72 -0.02 0.33 -1.28 -2.88 0.00 0.00 179.24 174.67 1ucv h SER 16 N 0.32 0.34 -0.36 2.28 0.87 -0.17 0.40 113.55 117.24 1ucv h SER 16 Ca 0.47 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 1ucv h SER 16 Cb 0.85 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1ucv h SER 16 CO -0.52 0.14 0.00 2.30 -0.53 0.00 0.00 176.83 178.22 1ucv n ILE 17 N -4.96 0.87 -2.79 2.23 -5.35 0.24 -4.88 119.36 104.72 1ucv n ILE 17 Ca 0.14 -0.60 -0.20 0.00 -0.27 0.00 0.00 62.75 61.82 1ucv n ILE 17 Cb 0.40 0.02 0.02 0.00 -1.74 0.00 0.00 39.64 38.34 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 0.53 -3.68 0.00 6.28 5.12 0.14 -4.86 116.66 120.19 1ucv n ARG 18 Ca 0.14 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 1ucv n ARG 18 Cb 0.49 -5.55 0.00 0.00 -1.16 0.00 0.00 32.46 26.24 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 -3.51 0.02 0.27 5.56 2.81 0.76 -4.67 117.12 118.36 1ucv n MET 19 Ca -0.14 -0.47 0.16 0.00 -1.81 0.00 0.00 57.70 55.44 1ucv n MET 19 Cb 0.63 -0.95 0.78 0.00 -0.71 0.00 0.00 33.22 32.96 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 0.12 0.00 2.00 3.03 0.00 -1.72 0.22 103.07 106.73 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 -1.90 -0.41 114.38 116.98 1ucv h ARG 21 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1ucv h ARG 21 Cb 0.81 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.89 1ucv h ARG 21 CO -0.00 0.03 -0.62 0.66 0.10 0.00 0.00 179.97 180.14 1ucv n TYR 22 N -3.35 0.01 -0.38 4.08 4.01 0.78 -4.43 117.16 117.87 1ucv n TYR 22 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 1ucv n TYR 22 Cb 0.16 -0.20 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -1.51 -0.38 -0.39 -0.72 0.63 -0.17 0.14 116.66 114.26 1ucv n ARG 23 Ca 0.05 1.38 0.36 0.00 -0.92 0.00 0.00 57.85 58.72 1ucv n ARG 23 Cb 0.34 -2.03 0.63 0.00 0.45 0.00 0.00 32.46 31.84 1ucv n ARG 23 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1ucv h ASP 24 N 0.00 0.27 0.99 6.15 5.19 -1.78 0.17 116.42 127.41 1ucv h ASP 24 Ca 0.16 0.21 -0.05 0.00 -0.62 0.00 0.00 57.03 56.73 1ucv h ASP 24 Cb 0.39 0.22 0.01 0.00 0.18 0.00 0.00 39.33 40.13 1ucv h ASP 24 CO -0.86 -0.35 -0.47 0.45 -3.12 0.00 0.00 179.24 174.88 1ucv h HIS 25 N 0.01 -1.23 -0.81 4.55 3.86 0.90 -2.86 115.15 119.57 1ucv h HIS 25 Ca 0.86 -0.03 0.19 0.00 -1.16 0.00 0.00 60.37 60.24 1ucv h HIS 25 Cb 2.52 0.41 -0.14 0.00 1.06 0.00 0.00 27.41 31.25 1ucv h HIS 25 CO -0.01 -0.76 0.03 0.74 0.86 0.00 0.00 177.93 178.79 1ucv h PHE 26 N -1.35 -0.01 -0.55 2.45 -1.00 -0.56 0.90 116.94 116.82 1ucv h PHE 26 Ca -0.14 0.06 0.15 0.00 2.81 0.00 0.00 57.97 60.85 1ucv h PHE 26 Cb 1.02 0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.68 1ucv h PHE 26 CO -0.00 -0.27 0.39 0.00 -1.61 0.00 0.00 178.31 176.82 1ucv h ALA 27 N 1.76 2.44 0.04 2.45 0.00 -0.54 0.31 119.26 125.73 1ucv h ALA 27 Ca 0.46 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 55.10 1ucv h ALA 27 Cb 0.84 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1ucv h ALA 27 CO -0.71 -0.60 -1.06 0.00 0.00 0.00 0.00 179.25 176.89 1ucv h ALA 28 N 1.73 0.23 0.00 0.00 0.00 0.10 -3.15 119.26 118.17 1ucv h ALA 28 Ca 0.26 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ucv h ALA 28 Cb 0.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ucv h ALA 28 CO -0.02 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.45 1ucv n GLY 29 N 1.14 -0.90 0.88 0.00 0.00 -0.11 -4.81 105.19 101.40 1ucv n GLY 29 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.54 0.76 3.04 -0.02 0.00 -0.98 -5.05 105.19 103.48 1ucv n GLY 30 Ca 0.08 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 3.60 -0.04 1.61 2.02 0.90 -4.90 117.35 118.54 1ucv s TYR 31 Ca 0.00 -2.78 0.00 0.00 -0.37 0.00 0.00 57.07 53.93 1ucv s TYR 31 Cb 0.00 -2.59 0.00 0.00 -0.40 0.00 0.00 41.96 38.97 1ucv s TYR 31 CO 0.00 -0.93 0.60 -1.13 -1.57 0.00 0.00 175.55 172.52 1ucv n SER 32 N 4.31 1.21 -4.32 2.29 3.41 -1.26 -0.85 113.62 118.41 1ucv n SER 32 Ca -0.02 -1.19 -0.17 0.00 -0.26 0.00 0.00 58.87 57.23 1ucv n SER 32 Cb 0.42 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.20 1.52 0.01 4.04 0.01 -1.26 -3.91 113.70 113.91 1ucv s SER 33 Ca 0.01 -1.29 -0.18 0.00 1.31 0.00 0.00 55.95 55.80 1ucv s SER 33 Cb 0.00 0.08 -0.34 0.00 0.21 0.00 0.00 66.02 65.97 1ucv s SER 33 CO 0.00 -0.62 0.97 -0.07 0.41 0.00 0.00 173.24 173.94 1ucv h LEU 34 N 2.45 0.74 -1.43 2.44 -0.00 -1.92 -2.67 115.31 114.92 1ucv h LEU 34 Ca -0.38 -0.93 0.26 0.00 -0.00 0.00 0.00 57.88 56.83 1ucv h LEU 34 Cb 1.23 -0.24 -0.09 0.00 -0.00 0.00 0.00 40.66 41.57 1ucv h LEU 34 CO 0.63 1.61 0.67 1.23 -0.00 0.00 0.00 178.44 182.58 1ucv h GLY 35 N -0.01 1.07 1.01 0.83 0.00 -1.91 0.11 103.07 104.17 1ucv h GLY 35 Ca -0.22 -0.19 -0.30 0.00 0.00 0.00 0.00 47.33 46.62 1ucv h GLY 35 CO 0.24 -0.10 -1.69 0.00 0.00 0.00 0.00 176.54 174.99 1ucv h MET 36 N 0.37 0.07 -0.51 4.80 -0.00 -1.96 -3.36 114.93 114.34 1ucv h MET 36 Ca 0.57 -0.12 -0.05 0.00 -0.00 0.00 0.00 59.70 60.10 1ucv h MET 36 Cb 1.48 0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 33.10 1ucv h MET 36 CO -0.25 0.72 0.13 0.28 -0.00 0.00 0.00 176.91 177.78 1ucv h VAL 37 N 0.02 1.22 0.00 -0.10 2.07 -0.63 -1.62 116.25 117.20 1ucv h VAL 37 Ca -0.29 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1ucv h VAL 37 Cb 2.00 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1ucv h VAL 37 CO 0.09 0.29 0.00 -0.07 0.02 0.00 0.00 177.57 177.90 1ucv h LEU 38 N 0.75 0.00 -0.66 2.57 3.38 -1.03 0.20 115.31 120.52 1ucv h LEU 38 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ucv h LEU 38 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ucv h LEU 38 CO -0.00 0.00 -0.56 0.54 0.09 0.00 0.00 178.44 178.50 1ucv n ARG 39 N -2.34 0.83 -1.61 1.13 1.74 -0.62 -4.88 116.66 110.92 1ucv n ARG 39 Ca -0.01 -0.66 -0.29 0.00 -0.77 0.00 0.00 57.85 56.12 1ucv n ARG 39 Cb 0.06 -1.49 0.15 0.00 -1.02 0.00 0.00 32.46 30.16 1ucv n ARG 39 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1ucv s MET 40 N -2.62 0.93 0.22 5.56 -1.94 0.69 -5.08 119.30 117.06 1ucv s MET 40 Ca 0.17 0.11 -0.23 0.00 -1.71 0.00 0.00 55.69 54.03 1ucv s MET 40 Cb 0.18 -1.83 0.04 0.00 2.01 0.00 0.00 34.83 35.23 1ucv s MET 40 CO 0.64 -2.30 0.77 -0.80 -0.01 0.00 0.00 175.02 173.31 1ucv s ASN 41 N -4.25 -0.29 0.22 3.03 0.01 -1.26 -4.98 114.94 107.42 1ucv s ASN 41 Ca 0.66 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 52.39 1ucv s ASN 41 Cb -0.12 0.64 0.56 0.00 0.41 0.00 0.00 41.25 42.75 1ucv s ASN 41 CO 0.53 -1.16 1.07 0.00 -1.51 0.00 0.00 177.10 176.03 1ucv n ALA 42 N -0.44 0.39 0.09 0.60 0.00 -1.26 0.13 120.51 120.01 1ucv n ALA 42 Ca -0.06 0.73 -0.12 0.00 0.00 0.00 0.00 53.44 53.98 1ucv n ALA 42 Cb 0.60 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.37 0.23 0.00 -0.00 -1.99 0.19 115.11 113.16 1ucv h GLN 43 Ca 0.43 0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 59.10 1ucv h GLN 43 Cb 0.93 0.08 0.00 0.00 0.00 0.00 0.00 27.48 28.49 1ucv h GLN 43 CO -0.63 -0.25 -0.11 -0.44 0.00 0.00 0.00 178.83 177.40 1ucv h ASP 44 N -0.39 -0.26 -0.46 -0.69 3.32 0.67 -3.14 116.42 115.48 1ucv h ASP 44 Ca 0.04 -0.27 0.09 0.00 0.02 0.00 0.00 57.03 56.91 1ucv h ASP 44 Cb 0.43 0.07 -0.10 0.00 0.22 0.00 0.00 39.33 39.95 1ucv h ASP 44 CO -0.15 0.20 -0.32 0.58 -1.72 0.00 0.00 179.24 177.82 1ucv h VAL 45 N -0.79 0.22 -0.82 -1.35 2.07 -0.31 0.09 116.25 115.36 1ucv h VAL 45 Ca -0.03 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.69 1ucv h VAL 45 Cb 0.51 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 30.37 1ucv h VAL 45 CO 0.05 0.00 0.22 -0.09 0.02 0.00 0.00 177.57 177.77 1ucv h ARG 46 N -0.22 0.25 -0.52 1.57 1.12 -0.70 0.57 114.38 116.45 1ucv h ARG 46 Ca 0.19 -0.01 0.09 0.00 -1.11 0.00 0.00 59.98 59.14 1ucv h ARG 46 Cb 0.54 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 30.41 1ucv h ARG 46 CO -0.58 0.16 0.36 0.00 -3.11 0.00 0.00 179.97 176.79 1ucv h ALA 47 N 1.70 2.06 0.00 2.80 0.00 -0.93 0.97 119.26 125.86 1ucv h ALA 47 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1ucv h ALA 47 Cb 0.92 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ucv h ALA 47 CO -0.59 -0.17 -0.07 -0.07 0.00 0.00 0.00 179.25 178.35 1ucv h LEU 48 N 0.33 0.00 0.00 0.00 3.38 0.45 -3.46 115.31 116.01 1ucv h LEU 48 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ucv h LEU 48 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ucv h LEU 48 CO -0.06 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1ucv n GLY 49 N -0.80 0.78 3.56 0.83 0.00 0.34 -4.80 105.19 105.09 1ucv n GLY 49 Ca -0.02 0.00 -0.39 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 -1.11 3.34 -0.00 -0.61 1.09 -1.25 -4.69 121.20 117.97 1ucv s ILE 50 Ca 0.00 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 1ucv s ILE 50 Cb 0.00 -3.74 -0.01 0.00 -1.06 0.00 0.00 42.46 37.65 1ucv s ILE 50 CO 0.00 -0.66 0.01 0.35 -0.10 0.00 0.00 174.94 174.53 1ucv n THR 51 N 7.37 0.01 -1.53 2.92 -2.24 -1.26 -4.10 114.28 115.44 1ucv n THR 51 Ca 0.23 -0.01 -0.53 0.00 -2.27 0.00 0.00 64.05 61.48 1ucv n THR 51 Cb 0.51 0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.68 2.29 -0.30 3.22 7.99 -1.26 -4.62 117.00 122.65 1ucv n LEU 52 Ca -0.00 0.65 0.01 0.00 -0.01 0.00 0.00 56.01 56.65 1ucv n LEU 52 Cb 0.17 -1.23 0.05 0.00 -0.11 0.00 0.00 43.42 42.31 1ucv n LEU 52 CO 0.01 -0.58 0.48 0.23 -1.51 0.00 0.00 177.39 176.02 1ucv n MET 53 N 7.31 -0.15 -0.12 3.23 2.81 -1.26 0.89 117.12 129.83 1ucv n MET 53 Ca 0.36 1.22 -0.05 0.00 -1.81 0.00 0.00 57.70 57.43 1ucv n MET 53 Cb 0.20 -1.82 0.03 0.00 -0.71 0.00 0.00 33.22 30.92 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 0.44 0.46 3.03 0.00 -1.99 0.17 103.07 105.18 1ucv h GLY 54 Ca 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1ucv h GLY 54 CO -0.80 -0.05 -0.22 0.45 0.00 0.00 0.00 176.54 175.93 1ucv h HIS 55 N 0.18 -0.57 -0.98 5.60 3.86 0.15 -2.61 115.15 120.78 1ucv h HIS 55 Ca 0.19 -0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.66 1ucv h HIS 55 Cb 0.23 0.19 -0.14 0.00 1.06 0.00 0.00 27.41 28.75 1ucv h HIS 55 CO -0.21 -0.36 0.52 1.96 0.86 0.00 0.00 177.93 180.70 1ucv h GLN 56 N -1.09 0.39 -0.12 2.45 4.20 0.08 0.15 115.11 121.17 1ucv h GLN 56 Ca -0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1ucv h GLN 56 Cb 0.47 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1ucv h GLN 56 CO 0.10 0.26 0.06 0.87 -0.67 0.00 0.00 178.83 179.45 1ucv h LYS 57 N 0.40 0.17 0.83 1.46 1.79 -0.70 -0.05 116.57 120.48 1ucv h LYS 57 Ca 0.67 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 59.07 1ucv h LYS 57 Cb 1.40 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1ucv h LYS 57 CO -0.56 0.24 -0.47 0.87 -1.08 0.00 0.00 179.45 178.44 1ucv h LYS 58 N 0.07 -1.17 0.20 3.15 6.56 -0.36 0.61 116.57 125.62 1ucv h LYS 58 Ca 0.04 0.08 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1ucv h LYS 58 Cb 0.13 0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1ucv h LYS 58 CO -0.00 -0.78 -0.24 0.82 -2.06 0.00 0.00 179.45 177.18 1ucv h ILE 59 N -1.21 0.00 0.24 1.86 2.04 -1.19 0.59 117.51 119.83 1ucv h ILE 59 Ca -0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1ucv h ILE 59 Cb 0.96 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1ucv h ILE 59 CO 0.14 0.00 -0.51 -0.07 0.00 0.00 0.00 178.15 177.71 1ucv h LEU 60 N -0.45 -1.49 -2.01 1.44 3.38 -1.06 0.22 115.31 115.34 1ucv h LEU 60 Ca -0.02 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.25 1ucv h LEU 60 Cb 0.41 0.53 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1ucv h LEU 60 CO -0.05 -0.59 0.40 1.23 0.09 0.00 0.00 178.44 179.52 1ucv h GLY 61 N -0.82 0.00 1.99 0.83 0.00 0.26 0.23 103.07 105.56 1ucv h GLY 61 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 1ucv h GLY 61 CO -0.21 0.00 -0.74 1.76 0.00 0.00 0.00 176.54 177.35 1ucv h SER 62 N 0.00 0.00 0.02 0.19 0.02 0.16 -3.24 113.55 110.69 1ucv h SER 62 Ca 0.25 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 1ucv h SER 62 Cb 1.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 1ucv h SER 62 CO -0.00 0.74 -0.22 0.40 -1.14 0.00 0.00 176.83 176.61 1ucv h ILE 63 N 0.00 1.68 -1.01 3.27 2.04 0.24 -2.15 117.51 121.58 1ucv h ILE 63 Ca -0.01 -2.35 0.24 0.00 1.00 0.00 0.00 64.86 63.73 1ucv h ILE 63 Cb 1.57 3.26 -0.10 0.00 -0.74 0.00 0.00 36.82 40.81 1ucv h ILE 63 CO 0.10 0.59 0.63 0.06 0.00 0.00 0.00 178.15 179.53 1ucv h GLN 64 N -0.93 0.50 0.02 2.37 -0.00 -0.99 0.16 115.11 116.25 1ucv h GLN 64 Ca -0.05 -0.03 -0.25 0.00 -0.00 0.00 0.00 58.65 58.31 1ucv h GLN 64 Cb 1.10 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.48 28.43 1ucv h GLN 64 CO -0.00 0.33 -1.33 0.00 -0.00 0.00 0.00 178.83 177.83 1ucv h THR 65 N 0.52 1.33 0.00 1.86 1.03 -1.66 -1.84 112.91 114.14 1ucv h THR 65 Ca 0.58 -3.07 -0.07 0.00 -0.01 0.00 0.00 66.41 63.84 1ucv h THR 65 Cb 1.26 2.69 -0.01 0.00 -1.07 0.00 0.00 68.15 71.02 1ucv h THR 65 CO -0.33 0.78 -0.31 0.24 -0.01 0.00 0.00 175.52 175.89 1ucv h MET 66 N 0.01 0.00 0.03 0.00 2.86 -0.10 -2.26 114.93 115.47 1ucv h MET 66 Ca -0.14 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.15 1ucv h MET 66 Cb 1.89 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.50 1ucv h MET 66 CO 0.12 0.31 -2.11 2.89 1.06 0.00 0.00 176.91 179.18 1ucv n ARG 67 N -4.12 0.68 -0.12 1.72 1.85 0.06 -4.25 116.66 112.48 1ucv n ARG 67 Ca -0.02 0.18 0.01 0.00 -1.00 0.00 0.00 57.85 57.02 1ucv n ARG 67 Cb 0.36 -1.65 0.29 0.00 -1.05 0.00 0.00 32.46 30.41 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 0.56 1.47 -0.95 2.89 0.00 -1.25 -2.25 119.26 119.73 1ucv h ALA 68 Ca -0.45 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1ucv h ALA 68 Cb 2.05 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 1ucv h ALA 68 CO 0.03 0.44 0.63 -0.56 0.00 0.00 0.00 179.25 179.79 1ucv h GLN 69 N 0.81 1.21 0.68 0.00 3.07 -1.58 -2.30 115.11 117.00 1ucv h GLN 69 Ca 0.21 -0.07 -0.03 0.00 0.09 0.00 0.00 58.65 58.85 1ucv h GLN 69 Cb 0.01 -0.27 -0.00 0.00 0.08 0.00 0.00 27.48 27.29 1ucv h GLN 69 CO -0.04 0.80 -0.41 -0.07 0.09 0.00 0.00 178.83 179.20 1ucv h LEU 70 N 1.25 -1.04 -0.62 0.06 3.38 -1.59 -2.92 115.31 113.84 1ucv h LEU 70 Ca 0.36 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.50 1ucv h LEU 70 Cb -0.09 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 40.87 1ucv h LEU 70 CO -0.09 -0.64 0.12 0.71 0.09 0.00 0.00 178.44 178.63 1ucv h THR 71 N -1.03 0.61 -3.60 0.22 1.35 -1.48 -3.34 112.91 105.65 1ucv h THR 71 Ca -0.09 -0.09 -0.69 0.00 -0.55 0.00 0.00 66.41 65.00 1ucv h THR 71 Cb 0.83 0.34 -0.35 0.00 -1.73 0.00 0.00 68.15 67.24 1ucv h THR 71 CO 0.09 0.05 -0.62 -0.94 -0.25 0.00 0.00 175.52 173.85 1ucv s SER 72 N -5.29 5.07 0.01 5.36 1.04 -0.88 -5.08 113.70 113.95 1ucv s SER 72 Ca -0.13 -1.84 -0.07 0.00 0.48 0.00 0.00 55.95 54.39 1ucv s SER 72 Cb 0.18 -1.76 -0.00 0.00 0.10 0.00 0.00 66.02 64.54 1ucv s SER 72 CO 0.74 -0.44 0.12 0.28 0.98 0.00 0.00 173.24 174.93 1ucv s THR 73 N 1.13 0.10 0.86 2.02 -1.32 -1.18 -4.53 115.64 112.72 1ucv s THR 73 Ca 0.05 -0.80 -0.12 0.00 -1.21 0.00 0.00 61.69 59.61 1ucv s THR 73 Cb -0.21 -0.54 0.11 0.00 -1.51 0.00 0.00 72.50 70.34 1ucv s THR 73 CO -0.04 -0.44 1.11 -1.10 -2.21 0.00 0.00 174.62 171.94 1ucv s GLN 74 N -1.71 1.54 -0.44 7.08 1.11 -1.26 -4.85 119.66 121.12 1ucv s GLN 74 Ca -0.12 0.51 -0.41 0.00 0.01 0.00 0.00 55.36 55.34 1ucv s GLN 74 Cb -0.06 -1.87 -0.18 0.00 -1.01 0.00 0.00 33.01 29.90 1ucv s GLN 74 CO -0.00 -1.97 1.45 0.41 0.01 0.00 0.00 175.29 175.19 1ucv n GLY 75 N -2.00 0.15 3.97 3.09 0.00 -1.26 -4.92 105.19 104.22 1ucv n GLY 75 Ca 0.07 0.90 -0.22 0.00 0.00 0.00 0.00 46.02 46.77 1ucv n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ucv s SER 76 N 2.82 4.99 0.15 1.61 0.15 -1.26 -5.04 113.70 117.13 1ucv s SER 76 Ca 0.94 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1ucv s SER 76 Cb -1.33 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1ucv s SER 76 CO 0.72 -1.37 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1ucv n GLY 77 N -2.53 -1.36 3.47 9.45 0.00 -1.26 -5.14 105.19 107.82 1ucv n GLY 77 Ca 0.10 0.29 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.85 0.16 -3.93 1.61 -0.02 -1.26 -5.03 135.00 123.68 1ucv n PRO 78 Ca 0.00 0.10 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 1ucv n PRO 78 Cb 0.00 -1.88 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1ucv n PRO 78 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ucv s SER 79 N -1.64 0.49 0.09 2.55 1.04 -1.26 -5.16 113.70 109.80 1ucv s SER 79 Ca 0.64 -1.35 -0.16 0.00 0.48 0.00 0.00 55.95 55.56 1ucv s SER 79 Cb -0.31 0.78 -0.07 0.00 0.10 0.00 0.00 66.02 66.53 1ucv s SER 79 CO 0.60 -1.55 0.52 -0.94 0.98 0.00 0.00 173.24 172.85 1ucv s SER 80 N -3.16 6.90 0.00 7.02 1.04 -1.26 -5.31 113.70 118.93 1ucv s SER 80 Ca 0.23 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1ucv s SER 80 Cb -0.03 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1ucv s SER 80 CO 0.16 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.21