#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucv s SER 2 N 0.00 -0.00 -0.71 1.61 0.01 -1.26 -4.91 113.70 108.43 1ucv s SER 2 Ca 0.00 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 1ucv s SER 2 Cb 0.00 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1ucv s SER 2 CO 0.00 -0.56 0.62 -0.24 0.41 0.00 0.00 173.24 173.47 1ucv n SER 3 N 0.70 -3.86 -0.01 2.44 2.88 -1.26 -4.80 113.62 109.72 1ucv n SER 3 Ca -0.19 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 1ucv n SER 3 Cb 0.59 -2.95 0.00 0.00 -0.75 0.00 0.00 64.21 61.09 1ucv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ucv n GLY 4 N -1.26 -1.62 3.76 0.46 0.00 -1.26 -4.87 105.19 100.39 1ucv n GLY 4 Ca -0.03 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.28 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 -4.00 5.61 0.19 1.61 1.04 -1.26 -4.92 113.70 111.97 1ucv s SER 5 Ca 0.00 2.60 -0.15 0.00 0.48 0.00 0.00 55.95 58.88 1ucv s SER 5 Cb 0.00 -2.62 0.18 0.00 0.10 0.00 0.00 66.02 63.67 1ucv s SER 5 CO 0.00 -1.32 1.66 -1.28 0.98 0.00 0.00 173.24 173.28 1ucv h SER 6 N 1.69 -0.35 0.00 7.02 0.87 -1.89 -3.45 113.55 117.44 1ucv h SER 6 Ca -0.50 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1ucv h SER 6 Cb 1.28 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1ucv h SER 6 CO 0.58 -0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 1ucv n GLY 7 N -1.34 0.01 3.31 5.77 0.00 -1.26 -5.08 105.19 106.60 1ucv n GLY 7 Ca 0.05 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.61 0.00 -4.75 0.99 -0.00 -1.26 -5.15 117.00 106.23 1ucv n LEU 8 Ca 0.00 -2.88 -0.31 0.00 -0.00 0.00 0.00 56.01 52.82 1ucv n LEU 8 Cb 0.00 0.31 -0.07 0.00 -0.00 0.00 0.00 43.42 43.66 1ucv n LEU 8 CO 0.00 -0.42 -0.28 0.28 -0.00 0.00 0.00 177.39 176.97 1ucv s THR 9 N -2.65 4.42 0.44 1.47 -1.32 -1.26 -4.25 115.64 112.48 1ucv s THR 9 Ca 0.01 -0.70 0.36 0.00 -1.21 0.00 0.00 61.69 60.15 1ucv s THR 9 Cb -0.00 -3.08 0.53 0.00 -1.51 0.00 0.00 72.50 68.44 1ucv s THR 9 CO 0.01 0.22 1.17 0.52 -2.21 0.00 0.00 174.62 174.32 1ucv n VAL 10 N 0.79 0.00 0.01 5.08 0.31 -1.24 0.13 118.33 123.41 1ucv n VAL 10 Ca -0.11 1.12 -0.12 0.00 -0.01 0.00 0.00 64.34 65.22 1ucv n VAL 10 Cb 0.52 -1.89 -0.10 0.00 -0.91 0.00 0.00 33.84 31.46 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 -0.09 -0.09 2.92 0.00 -1.89 -2.64 103.07 101.27 1ucv h GLY 11 Ca 0.67 0.03 0.02 0.00 0.00 0.00 0.00 47.33 48.05 1ucv h GLY 11 CO -0.01 -0.03 -0.28 -1.80 0.00 0.00 0.00 176.54 174.42 1ucv h ASP 12 N -0.69 -0.91 0.06 0.19 1.82 0.63 0.40 116.42 117.93 1ucv h ASP 12 Ca -0.01 0.11 0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1ucv h ASP 12 Cb 0.57 0.36 -0.03 0.00 0.68 0.00 0.00 39.33 40.91 1ucv h ASP 12 CO 0.01 -0.24 -0.34 -0.25 -1.61 0.00 0.00 179.24 176.81 1ucv h TRP 13 N -0.28 -0.99 -0.95 0.28 7.01 -1.68 -1.58 115.95 117.76 1ucv h TRP 13 Ca 0.02 0.03 0.29 0.00 2.11 0.00 0.00 58.89 61.33 1ucv h TRP 13 Cb 0.34 0.42 -0.15 0.00 -2.10 0.00 0.00 29.16 27.68 1ucv h TRP 13 CO -0.54 -0.38 0.41 -0.07 -2.79 0.00 0.00 178.44 175.07 1ucv h LEU 14 N -0.47 0.26 -1.03 0.65 3.38 -1.31 0.61 115.31 117.39 1ucv h LEU 14 Ca -0.00 0.20 0.16 0.00 0.09 0.00 0.00 57.88 58.32 1ucv h LEU 14 Cb 0.48 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 1ucv h LEU 14 CO -0.19 -0.16 0.62 -0.78 0.09 0.00 0.00 178.44 178.02 1ucv h ASP 15 N 0.26 0.84 -0.73 -0.43 3.58 0.82 0.28 116.42 121.03 1ucv h ASP 15 Ca 0.66 0.07 0.13 0.00 0.42 0.00 0.00 57.03 58.31 1ucv h ASP 15 Cb 1.44 -0.09 -0.09 0.00 1.72 0.00 0.00 39.33 42.31 1ucv h ASP 15 CO -0.64 0.37 0.30 -1.28 -2.88 0.00 0.00 179.24 175.10 1ucv h SER 16 N 0.86 0.29 -0.48 2.28 0.87 0.55 0.26 113.55 118.18 1ucv h SER 16 Ca 0.54 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1ucv h SER 16 Cb 0.72 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1ucv h SER 16 CO -0.32 0.12 0.00 2.30 -0.53 0.00 0.00 176.83 178.41 1ucv n ILE 17 N -4.99 1.24 -3.25 2.23 -5.35 -0.35 -4.90 119.36 103.99 1ucv n ILE 17 Ca 0.13 -0.83 -0.23 0.00 -0.27 0.00 0.00 62.75 61.56 1ucv n ILE 17 Cb 0.38 0.05 0.05 0.00 -1.74 0.00 0.00 39.64 38.39 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 0.78 -6.12 0.00 6.28 1.74 0.91 -4.87 116.66 115.39 1ucv n ARG 18 Ca 0.18 0.87 0.01 0.00 -0.77 0.00 0.00 57.85 58.14 1ucv n ARG 18 Cb 0.65 -5.79 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 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 -4.39 0.55 0.30 5.56 2.81 0.84 -4.67 117.12 118.12 1ucv n MET 19 Ca -0.06 -0.49 0.14 0.00 -1.81 0.00 0.00 57.70 55.48 1ucv n MET 19 Cb 0.60 -0.95 0.69 0.00 -0.71 0.00 0.00 33.22 32.85 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 0.32 0.00 2.00 3.03 0.00 -1.73 0.20 103.07 106.89 1ucv h GLY 20 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ucv h GLY 20 CO 0.00 0.00 -0.01 0.07 0.00 0.00 0.00 176.54 176.60 1ucv h ARG 21 N 0.00 0.00 -0.00 4.80 0.11 -1.90 0.71 114.38 118.10 1ucv h ARG 21 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1ucv h ARG 21 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.02 1ucv h ARG 21 CO -0.00 0.01 -0.52 0.66 0.10 0.00 0.00 179.97 180.22 1ucv n TYR 22 N -3.82 0.00 -0.35 4.08 4.01 0.71 -4.41 117.16 117.37 1ucv n TYR 22 Ca -0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.62 1ucv n TYR 22 Cb 0.09 -0.23 -0.08 0.00 -0.31 0.00 0.00 39.34 38.81 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 -1.48 -0.37 -0.38 -0.72 0.63 0.24 0.14 116.66 114.72 1ucv n ARG 23 Ca 0.06 1.33 0.35 0.00 -0.92 0.00 0.00 57.85 58.66 1ucv n ARG 23 Cb 0.34 -1.95 0.61 0.00 0.45 0.00 0.00 32.46 31.91 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 -4.98 0.27 0.43 6.15 9.92 -1.26 0.02 116.55 127.10 1ucv n ASP 24 Ca 0.02 1.47 -0.19 0.00 -0.53 0.00 0.00 54.79 55.57 1ucv n ASP 24 Cb 0.22 -0.72 -0.09 0.00 -0.64 0.00 0.00 41.12 39.89 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 -1.01 -0.79 1.24 3.86 0.95 -2.87 115.15 116.52 1ucv h HIS 25 Ca 0.83 -0.02 0.19 0.00 -1.16 0.00 0.00 60.37 60.21 1ucv h HIS 25 Cb 2.44 0.33 -0.14 0.00 1.06 0.00 0.00 27.41 31.11 1ucv h HIS 25 CO -0.01 -0.62 0.05 0.74 0.86 0.00 0.00 177.93 178.96 1ucv h PHE 26 N -1.14 0.03 -0.42 2.45 -1.00 -0.28 0.85 116.94 117.42 1ucv h PHE 26 Ca -0.11 0.06 0.12 0.00 2.81 0.00 0.00 57.97 60.85 1ucv h PHE 26 Cb 0.84 0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 1ucv h PHE 26 CO -0.01 -0.24 0.31 0.00 -1.61 0.00 0.00 178.31 176.76 1ucv h ALA 27 N 1.73 2.37 0.11 2.45 0.00 -0.65 0.38 119.26 125.66 1ucv h ALA 27 Ca 0.45 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 55.08 1ucv h ALA 27 Cb 0.81 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ucv h ALA 27 CO -0.67 -0.53 -1.20 0.00 0.00 0.00 0.00 179.25 176.85 1ucv h ALA 28 N 1.77 0.14 0.00 0.00 0.00 0.89 -3.21 119.26 118.85 1ucv h ALA 28 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ucv h ALA 28 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ucv h ALA 28 CO -0.00 0.95 0.00 0.41 0.00 0.00 0.00 179.25 180.61 1ucv n GLY 29 N 1.45 -0.97 1.08 0.00 0.00 -0.18 -4.81 105.19 101.75 1ucv n GLY 29 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.56 0.69 2.99 -0.02 0.00 -0.99 -5.04 105.19 103.38 1ucv n GLY 30 Ca 0.04 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 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 3.43 -0.29 1.61 2.02 0.12 -4.90 117.35 117.34 1ucv s TYR 31 Ca 0.00 -2.74 0.06 0.00 -0.37 0.00 0.00 57.07 54.02 1ucv s TYR 31 Cb 0.00 -2.62 -0.06 0.00 -0.40 0.00 0.00 41.96 38.88 1ucv s TYR 31 CO 0.00 -0.93 0.26 -1.13 -1.57 0.00 0.00 175.55 172.18 1ucv n SER 32 N 4.35 0.31 -4.53 2.29 3.41 -1.26 -1.04 113.62 117.16 1ucv n SER 32 Ca 0.00 -0.66 -0.25 0.00 -0.26 0.00 0.00 58.87 57.71 1ucv n SER 32 Cb 0.42 0.97 -0.11 0.00 -0.26 0.00 0.00 64.21 65.23 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 -1.51 3.23 -0.01 4.04 0.01 -1.26 -3.61 113.70 114.59 1ucv s SER 33 Ca 0.02 -1.32 -0.19 0.00 1.31 0.00 0.00 55.95 55.77 1ucv s SER 33 Cb 0.04 -0.26 -0.29 0.00 0.21 0.00 0.00 66.02 65.73 1ucv s SER 33 CO 0.23 -0.45 1.01 -0.07 0.41 0.00 0.00 173.24 174.37 1ucv h LEU 34 N 1.99 0.60 -0.84 2.44 -0.00 -1.92 -3.05 115.31 114.52 1ucv h LEU 34 Ca -0.42 -0.86 0.21 0.00 -0.00 0.00 0.00 57.88 56.81 1ucv h LEU 34 Cb 1.24 -0.19 -0.14 0.00 -0.00 0.00 0.00 40.66 41.58 1ucv h LEU 34 CO 0.74 1.40 0.19 1.23 -0.00 0.00 0.00 178.44 182.00 1ucv h GLY 35 N -0.12 1.23 2.00 0.83 0.00 -1.92 0.76 103.07 105.84 1ucv h GLY 35 Ca -0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1ucv h GLY 35 CO 0.17 -0.33 -0.08 0.00 0.00 0.00 0.00 176.54 176.30 1ucv h MET 36 N 0.20 0.00 0.00 4.80 -0.00 -1.95 -3.24 114.93 114.75 1ucv h MET 36 Ca 0.51 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.97 1ucv h MET 36 Cb 0.99 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.60 1ucv h MET 36 CO -0.64 0.08 -0.98 0.28 -0.00 0.00 0.00 176.91 175.65 1ucv h VAL 37 N 0.00 1.36 0.00 -0.10 2.07 0.48 -3.11 116.25 116.94 1ucv h VAL 37 Ca -0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1ucv h VAL 37 Cb 0.99 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1ucv h VAL 37 CO 0.01 0.72 0.00 -0.07 0.02 0.00 0.00 177.57 178.25 1ucv h LEU 38 N 0.29 0.00 -3.53 2.57 3.38 -0.69 0.04 115.31 117.37 1ucv h LEU 38 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ucv h LEU 38 Cb 1.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1ucv h LEU 38 CO 0.18 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.60 1ucv n ARG 39 N -2.97 4.66 -3.31 1.13 1.85 -1.18 -4.89 116.66 111.95 1ucv n ARG 39 Ca -0.02 -3.13 -0.19 0.00 -1.00 0.00 0.00 57.85 53.51 1ucv n ARG 39 Cb 0.11 -2.22 0.00 0.00 -1.05 0.00 0.00 32.46 29.30 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 -2.77 3.03 0.22 2.89 -1.94 -0.00 -5.09 119.30 115.64 1ucv s MET 40 Ca 0.53 -1.03 -0.12 0.00 -1.71 0.00 0.00 55.69 53.36 1ucv s MET 40 Cb 0.41 -2.79 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 1ucv s MET 40 CO 0.15 -0.05 0.44 -0.80 -0.01 0.00 0.00 175.02 174.75 1ucv s ASN 41 N -4.22 -0.09 0.21 3.03 0.01 -1.26 -4.97 114.94 107.66 1ucv s ASN 41 Ca 0.48 -0.86 -0.02 0.00 -0.71 0.00 0.00 52.86 51.75 1ucv s ASN 41 Cb -0.10 0.55 0.45 0.00 0.41 0.00 0.00 41.25 42.56 1ucv s ASN 41 CO 0.32 -1.07 1.12 0.00 -1.51 0.00 0.00 177.10 175.96 1ucv n ALA 42 N -0.34 0.28 -0.20 0.60 0.00 -1.26 0.21 120.51 119.80 1ucv n ALA 42 Ca -0.04 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1ucv n ALA 42 Cb 0.62 -0.52 0.11 0.00 0.00 0.00 0.00 19.45 19.66 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 0.39 0.39 0.00 4.20 -1.99 0.36 115.11 118.46 1ucv h GLN 43 Ca 0.39 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.06 1ucv h GLN 43 Cb 0.73 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1ucv h GLN 43 CO -0.70 0.26 -0.19 -0.44 -0.67 0.00 0.00 178.83 177.09 1ucv h ASP 44 N 0.40 -0.44 -0.43 1.46 3.32 0.21 -3.07 116.42 117.87 1ucv h ASP 44 Ca 0.31 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.44 1ucv h ASP 44 Cb 0.39 0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.96 1ucv h ASP 44 CO -0.31 -0.00 -0.30 0.58 -1.72 0.00 0.00 179.24 177.48 1ucv h VAL 45 N -1.13 0.25 -0.84 -1.35 2.07 -0.85 0.00 116.25 114.41 1ucv h VAL 45 Ca -0.05 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.67 1ucv h VAL 45 Cb 0.42 0.25 -0.12 0.00 -1.52 0.00 0.00 31.29 30.31 1ucv h VAL 45 CO 0.09 0.00 0.28 -0.09 0.02 0.00 0.00 177.57 177.87 1ucv h ARG 46 N -0.22 0.30 -0.68 1.57 1.12 -0.39 0.42 114.38 116.50 1ucv h ARG 46 Ca 0.19 -0.02 0.08 0.00 -1.11 0.00 0.00 59.98 59.12 1ucv h ARG 46 Cb 0.52 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 30.37 1ucv h ARG 46 CO -0.55 0.20 0.45 0.00 -3.11 0.00 0.00 179.97 176.96 1ucv h ALA 47 N 1.69 1.83 0.00 2.80 0.00 -0.89 0.40 119.26 125.09 1ucv h ALA 47 Ca 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ucv h ALA 47 Cb 0.95 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ucv h ALA 47 CO -0.55 0.04 -0.01 -0.07 0.00 0.00 0.00 179.25 178.65 1ucv h LEU 48 N 0.61 0.00 0.00 0.00 3.38 0.15 -3.46 115.31 115.99 1ucv h LEU 48 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ucv h LEU 48 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ucv h LEU 48 CO -0.10 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1ucv n GLY 49 N -1.27 1.01 3.57 0.83 0.00 0.13 -4.82 105.19 104.64 1ucv n GLY 49 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.02 3.44 -0.02 -0.61 1.09 -1.25 -4.71 121.20 118.12 1ucv s ILE 50 Ca 0.00 0.34 0.02 0.00 -1.10 0.00 0.00 60.65 59.91 1ucv s ILE 50 Cb 0.00 -3.92 -0.03 0.00 -1.06 0.00 0.00 42.46 37.45 1ucv s ILE 50 CO 0.00 -0.81 0.02 0.35 -0.10 0.00 0.00 174.94 174.40 1ucv n THR 51 N 7.22 0.12 -1.58 2.92 -2.24 -1.26 -4.05 114.28 115.42 1ucv n THR 51 Ca 0.20 -0.08 -0.53 0.00 -2.27 0.00 0.00 64.05 61.36 1ucv n THR 51 Cb 0.50 -0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 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 2.39 -0.29 3.22 4.32 -1.26 -4.60 117.00 118.78 1ucv n LEU 52 Ca -0.03 0.76 0.05 0.00 -0.02 0.00 0.00 56.01 56.78 1ucv n LEU 52 Cb 0.48 -1.22 0.15 0.00 -1.62 0.00 0.00 43.42 41.21 1ucv n LEU 52 CO 0.05 -0.51 0.75 0.24 -1.22 0.00 0.00 177.39 176.70 1ucv h MET 53 N 9.80 0.03 -0.81 3.23 2.86 -1.97 0.98 114.93 129.06 1ucv h MET 53 Ca -0.37 -0.00 0.22 0.00 -2.06 0.00 0.00 59.70 57.49 1ucv h MET 53 Cb 1.32 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.93 1ucv h MET 53 CO 0.99 0.02 0.57 0.78 1.06 0.00 0.00 176.91 180.33 1ucv h GLY 54 N 0.03 0.19 0.00 8.32 0.00 -2.01 -1.51 103.07 108.10 1ucv h GLY 54 Ca 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ucv h GLY 54 CO -0.81 -0.00 -0.64 1.42 0.00 0.00 0.00 176.54 176.51 1ucv n HIS 55 N -4.35 0.22 -0.29 5.60 -0.00 0.28 -4.13 115.22 112.54 1ucv n HIS 55 Ca 0.17 0.09 0.11 0.00 -0.00 0.00 0.00 57.72 58.09 1ucv n HIS 55 Cb 0.82 -0.46 0.22 0.00 -0.00 0.00 0.00 29.99 30.57 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 -3.99 -0.07 -0.26 -0.41 6.02 0.21 0.20 117.38 119.09 1ucv n GLN 56 Ca -0.09 1.27 -0.02 0.00 -0.01 0.00 0.00 57.00 58.15 1ucv n GLN 56 Cb 0.33 -1.98 0.10 0.00 1.02 0.00 0.00 30.24 29.71 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 0.79 0.55 -1.09 1.79 -1.47 0.00 116.57 117.14 1ucv h LYS 57 Ca 0.48 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.88 1ucv h LYS 57 Cb 0.95 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1ucv h LYS 57 CO -0.80 0.52 -0.26 0.87 -1.08 0.00 0.00 179.45 178.69 1ucv h LYS 58 N 0.81 -0.71 0.07 3.15 6.56 0.22 0.83 116.57 127.50 1ucv h LYS 58 Ca 0.31 0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.96 1ucv h LYS 58 Cb 0.12 0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.91 1ucv h LYS 58 CO -0.15 -0.47 -0.35 0.82 -2.06 0.00 0.00 179.45 177.23 1ucv h ILE 59 N -0.75 0.00 0.60 1.86 2.04 -1.30 0.78 117.51 120.74 1ucv h ILE 59 Ca -0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1ucv h ILE 59 Cb 0.56 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1ucv h ILE 59 CO 0.12 0.00 -0.51 -0.07 0.00 0.00 0.00 178.15 177.70 1ucv h LEU 60 N -0.49 -1.35 -1.75 1.44 3.38 -1.07 -0.96 115.31 114.49 1ucv h LEU 60 Ca -0.00 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.29 1ucv h LEU 60 Cb 0.50 0.43 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1ucv h LEU 60 CO -0.19 -0.70 0.59 1.23 0.09 0.00 0.00 178.44 179.46 1ucv h GLY 61 N -1.08 0.44 1.64 0.83 0.00 0.77 0.25 103.07 105.92 1ucv h GLY 61 Ca -0.08 -0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 1ucv h GLY 61 CO -0.01 -0.01 -0.61 0.23 0.00 0.00 0.00 176.54 176.15 1ucv h SER 62 N 0.20 0.42 0.02 0.19 0.87 0.13 -3.24 113.55 112.14 1ucv h SER 62 Ca 0.43 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1ucv h SER 62 Cb 1.38 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1ucv h SER 62 CO -0.09 0.92 -0.01 0.40 -0.53 0.00 0.00 176.83 177.52 1ucv h ILE 63 N 0.27 0.92 -1.51 2.23 2.04 0.67 -1.96 117.51 120.18 1ucv h ILE 63 Ca -0.01 -1.62 0.49 0.00 1.00 0.00 0.00 64.86 64.72 1ucv h ILE 63 Cb 1.13 1.72 -0.11 0.00 -0.74 0.00 0.00 36.82 38.82 1ucv h ILE 63 CO 0.10 0.30 1.02 0.00 0.00 0.00 0.00 178.15 179.57 1ucv n GLN 64 N -4.72 -0.02 -0.02 2.37 10.64 0.43 0.23 117.38 126.28 1ucv n GLN 64 Ca -0.06 1.14 -0.03 0.00 -1.83 0.00 0.00 57.00 56.22 1ucv n GLN 64 Cb 0.25 -2.37 -0.13 0.00 -0.86 0.00 0.00 30.24 27.14 1ucv n GLN 64 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1ucv n THR 65 N -4.36 1.19 0.03 -0.39 5.66 -1.22 -3.53 114.28 111.65 1ucv n THR 65 Ca 0.40 -0.74 0.02 0.00 -3.05 0.00 0.00 64.05 60.68 1ucv n THR 65 Cb 1.64 -0.63 0.38 0.00 -1.55 0.00 0.00 70.33 70.17 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 0.47 0.17 1.09 4.05 0.38 -2.80 114.93 118.28 1ucv h MET 66 Ca -0.28 -0.06 -0.33 0.00 -0.28 0.00 0.00 59.70 58.75 1ucv h MET 66 Cb 1.79 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 32.51 1ucv h MET 66 CO 0.04 0.42 -1.59 0.07 0.23 0.00 0.00 176.91 176.08 1ucv h ARG 67 N 0.47 0.35 -0.94 0.39 0.11 -1.35 -3.36 114.38 110.04 1ucv h ARG 67 Ca 0.11 -0.60 0.19 0.00 0.10 0.00 0.00 59.98 59.78 1ucv h ARG 67 Cb 0.15 0.22 -0.18 0.00 1.11 0.00 0.00 29.97 31.27 1ucv h ARG 67 CO -0.01 1.25 -0.24 0.00 0.10 0.00 0.00 179.97 181.07 1ucv n ALA 68 N -2.74 0.21 -0.13 0.08 0.00 -1.06 0.20 120.51 117.08 1ucv n ALA 68 Ca -0.19 1.03 0.02 0.00 0.00 0.00 0.00 53.44 54.30 1ucv n ALA 68 Cb 1.06 -0.61 0.32 0.00 0.00 0.00 0.00 19.45 20.22 1ucv n ALA 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1ucv h GLN 69 N 0.00 0.80 0.04 0.00 3.07 -1.70 -2.24 115.11 115.09 1ucv h GLN 69 Ca 0.45 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 59.14 1ucv h GLN 69 Cb 0.68 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 28.06 1ucv h GLN 69 CO -0.97 0.53 -0.02 -0.07 0.09 0.00 0.00 178.83 178.39 1ucv h LEU 70 N 0.82 -0.05 -0.67 0.06 3.38 0.21 -3.29 115.31 115.78 1ucv h LEU 70 Ca 0.23 -0.56 0.14 0.00 0.09 0.00 0.00 57.88 57.78 1ucv h LEU 70 Cb -0.08 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.57 1ucv h LEU 70 CO -0.05 0.56 0.04 0.71 0.09 0.00 0.00 178.44 179.78 1ucv h THR 71 N -0.69 0.47 -3.98 0.22 1.35 -0.28 -3.42 112.91 106.59 1ucv h THR 71 Ca -0.01 -0.05 -0.45 0.00 -0.55 0.00 0.00 66.41 65.35 1ucv h THR 71 Cb 0.60 0.31 0.15 0.00 -1.73 0.00 0.00 68.15 67.48 1ucv h THR 71 CO 0.01 0.03 0.22 -0.55 -0.25 0.00 0.00 175.52 174.98 1ucv s SER 72 N -5.23 2.82 0.22 5.36 0.15 -0.86 -4.95 113.70 111.22 1ucv s SER 72 Ca -0.13 1.08 -0.08 0.00 0.70 0.00 0.00 55.95 57.52 1ucv s SER 72 Cb 0.20 -1.71 0.18 0.00 -1.71 0.00 0.00 66.02 62.98 1ucv s SER 72 CO 0.74 -2.99 1.84 0.00 1.20 0.00 0.00 173.24 174.03 1ucv h THR 73 N -1.80 1.25 -3.60 6.45 1.03 -1.82 -3.44 112.91 110.98 1ucv h THR 73 Ca -0.53 -0.61 -0.55 0.00 -0.01 0.00 0.00 66.41 64.70 1ucv h THR 73 Cb 1.33 0.11 0.19 0.00 -1.07 0.00 0.00 68.15 68.71 1ucv h THR 73 CO 0.59 0.28 -0.12 1.67 -0.01 0.00 0.00 175.52 177.93 1ucv n GLN 74 N -4.38 0.28 0.00 0.00 -0.06 -1.26 -4.95 117.38 107.01 1ucv n GLN 74 Ca 0.09 0.15 0.00 0.00 -2.00 0.00 0.00 57.00 55.23 1ucv n GLN 74 Cb 0.09 -2.07 0.00 0.00 -4.06 0.00 0.00 30.24 24.20 1ucv n GLN 74 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ucv n GLY 75 N 1.25 0.00 3.96 1.69 0.00 -1.26 -4.43 105.19 106.39 1ucv n GLY 75 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1ucv n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ucv n SER 76 N -1.56 -3.26 -3.48 1.61 3.41 -1.26 -4.92 113.62 104.17 1ucv n SER 76 Ca 0.00 -0.87 -0.13 0.00 -0.26 0.00 0.00 58.87 57.61 1ucv n SER 76 Cb 0.09 -3.53 -0.03 0.00 -0.26 0.00 0.00 64.21 60.47 1ucv n SER 76 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ucv s GLY 77 N -3.62 -0.55 0.44 5.00 0.00 -1.26 -5.15 107.32 102.17 1ucv s GLY 77 Ca 0.49 0.95 -0.23 0.00 0.00 0.00 0.00 44.72 45.93 1ucv s GLY 77 CO 0.86 0.49 0.94 -1.05 0.00 0.00 0.00 173.10 174.34 1ucv n PRO 78 N 0.10 1.20 -2.11 2.90 -0.02 -1.26 -4.85 135.00 130.96 1ucv n PRO 78 Ca -0.15 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 1ucv n PRO 78 Cb 0.62 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1ucv n PRO 78 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ucv s SER 79 N -0.82 5.59 -0.50 2.55 0.15 -1.26 -4.95 113.70 114.47 1ucv s SER 79 Ca 0.64 0.52 -0.17 0.00 0.70 0.00 0.00 55.95 57.65 1ucv s SER 79 Cb -0.55 -2.53 0.08 0.00 -1.71 0.00 0.00 66.02 61.31 1ucv s SER 79 CO 0.56 -2.09 0.48 -0.94 1.20 0.00 0.00 173.24 172.45 1ucv s SER 80 N 6.85 6.17 0.00 5.45 1.04 -1.26 -5.32 113.70 126.64 1ucv s SER 80 Ca 0.66 -1.31 0.29 0.00 0.48 0.00 0.00 55.95 56.07 1ucv s SER 80 Cb -0.14 -2.22 1.21 0.00 0.10 0.00 0.00 66.02 64.98 1ucv s SER 80 CO 0.24 -0.76 1.84 0.61 0.98 0.00 0.00 173.24 176.15