#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhz s SER 2 N 0.00 4.07 -1.01 1.61 0.01 -1.26 -5.05 113.70 112.06 1uhz s SER 2 Ca 0.00 -0.32 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 1uhz s SER 2 Cb 0.00 -1.62 0.11 0.00 0.21 0.00 0.00 66.02 64.72 1uhz s SER 2 CO 0.00 0.16 1.29 -0.44 0.41 0.00 0.00 173.24 174.66 1uhz s SER 3 N 0.37 6.66 0.00 2.44 0.01 -1.26 -4.62 113.70 117.31 1uhz s SER 3 Ca -0.10 -2.04 0.00 0.00 1.31 0.00 0.00 55.95 55.12 1uhz s SER 3 Cb -0.16 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1uhz s SER 3 CO 0.05 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.17 1uhz n GLY 4 N 5.68 2.30 3.58 3.44 0.00 -1.26 -5.08 105.19 113.85 1uhz n GLY 4 Ca 0.30 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 1uhz n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uhz s SER 5 N 0.00 6.29 -0.12 1.61 0.15 -1.26 -5.04 113.70 115.33 1uhz s SER 5 Ca 0.00 0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.74 1uhz s SER 5 Cb 0.00 -2.24 0.05 0.00 -1.71 0.00 0.00 66.02 62.13 1uhz s SER 5 CO 0.00 -0.32 0.26 -0.55 1.20 0.00 0.00 173.24 173.83 1uhz s SER 6 N 1.68 -0.09 0.00 5.45 0.15 -1.26 -4.96 113.70 114.66 1uhz s SER 6 Ca 0.17 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1uhz s SER 6 Cb -0.16 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1uhz s SER 6 CO 0.11 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1uhz n GLY 7 N 4.58 -1.65 0.17 9.45 0.00 -1.26 -4.97 105.19 111.51 1uhz n GLY 7 Ca -0.19 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.78 1uhz n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhz h PRO 8 N 0.00 0.00 0.08 1.61 0.13 -1.94 -2.61 132.00 129.26 1uhz h PRO 8 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uhz h PRO 8 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uhz h PRO 8 CO 0.00 0.43 -0.04 0.82 -0.23 0.00 0.00 178.00 178.98 1uhz h ILE 9 N 0.00 0.00 -0.67 -3.56 1.08 -1.89 -2.95 117.51 109.52 1uhz h ILE 9 Ca -0.00 -0.16 0.11 0.00 -0.39 0.00 0.00 64.86 64.41 1uhz h ILE 9 Cb 1.08 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.71 1uhz h ILE 9 CO 0.06 0.00 -0.38 0.28 -0.69 0.00 0.00 178.15 177.41 1uhz h SER 10 N -0.26 -1.34 -0.98 1.72 0.02 -1.94 0.81 113.55 111.57 1uhz h SER 10 Ca -0.01 0.25 0.30 0.00 -0.84 0.00 0.00 61.79 61.49 1uhz h SER 10 Cb 0.08 0.65 -0.14 0.00 0.14 0.00 0.00 62.40 63.13 1uhz h SER 10 CO 0.02 -0.31 0.51 -0.09 -1.14 0.00 0.00 176.83 175.82 1uhz h ARG 11 N -0.15 0.33 -0.03 3.45 2.43 -1.60 1.38 114.38 120.19 1uhz h ARG 11 Ca 0.24 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1uhz h ARG 11 Cb 0.56 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1uhz h ARG 11 CO -0.75 0.22 -0.15 1.25 -1.51 0.00 0.00 179.97 179.03 1uhz h LEU 12 N 0.34 0.19 -0.79 3.80 6.46 0.55 -2.76 115.31 123.09 1uhz h LEU 12 Ca 0.69 -0.67 0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1uhz h LEU 12 Cb 1.52 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 41.33 1uhz h LEU 12 CO -0.60 0.82 0.45 0.00 -0.62 0.00 0.00 178.44 178.49 1uhz h ALA 13 N 0.37 1.12 0.00 1.25 0.00 0.36 0.39 119.26 122.74 1uhz h ALA 13 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1uhz h ALA 13 Cb 0.82 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1uhz h ALA 13 CO 0.03 0.10 -0.07 1.96 0.00 0.00 0.00 179.25 181.27 1uhz h GLN 14 N 0.78 0.00 0.08 0.00 4.20 0.16 -0.63 115.11 119.70 1uhz h GLN 14 Ca 0.38 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.81 1uhz h GLN 14 Cb 0.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1uhz h GLN 14 CO -0.23 0.07 -1.35 0.82 -0.67 0.00 0.00 178.83 177.47 1uhz h ILE 15 N 0.00 1.34 0.00 2.54 2.04 -0.11 -0.94 117.51 122.39 1uhz h ILE 15 Ca -0.00 -3.01 -0.05 0.00 1.00 0.00 0.00 64.86 62.80 1uhz h ILE 15 Cb 0.17 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1uhz h ILE 15 CO 0.01 0.84 -0.24 1.56 0.00 0.00 0.00 178.15 180.32 1uhz h GLN 16 N 0.05 0.00 0.07 2.37 1.08 0.72 0.76 115.11 120.16 1uhz h GLN 16 Ca -0.16 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.71 1uhz h GLN 16 Cb 1.94 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.35 1uhz h GLN 16 CO 0.16 0.24 -1.81 0.00 -0.95 0.00 0.00 178.83 176.46 1uhz n GLN 17 N -3.52 0.69 0.11 1.46 10.64 -0.37 -2.37 117.38 124.02 1uhz n GLN 17 Ca -0.01 0.36 0.02 0.00 -1.83 0.00 0.00 57.00 55.54 1uhz n GLN 17 Cb 0.40 -1.70 0.38 0.00 -0.86 0.00 0.00 30.24 28.45 1uhz n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1uhz h ALA 18 N -0.15 1.50 0.00 2.61 0.00 -1.12 -0.75 119.26 121.34 1uhz h ALA 18 Ca -0.42 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1uhz h ALA 18 Cb 1.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1uhz h ALA 18 CO -0.04 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1uhz h ARG 19 N 0.25 0.00 -2.33 0.00 3.08 -0.99 -3.47 114.38 110.91 1uhz h ARG 19 Ca 0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.77 1uhz h ARG 19 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1uhz h ARG 19 CO 0.02 0.00 -0.43 1.63 -1.07 0.00 0.00 179.97 180.13 1uhz n LYS 20 N -2.80 -1.33 0.00 0.04 5.02 -0.29 -4.92 118.16 113.89 1uhz n LYS 20 Ca 0.04 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 1uhz n LYS 20 Cb 0.47 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 1uhz n LYS 20 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1uhz n GLU 21 N -2.60 0.00 0.00 1.97 -0.58 -1.00 -5.04 120.64 113.39 1uhz n GLU 21 Ca -0.20 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1uhz n GLU 21 Cb 0.65 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.97 1uhz n GLU 21 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1uhz n LYS 22 N -2.17 0.00 -0.98 3.49 0.00 -1.04 -5.05 118.16 112.42 1uhz n LYS 22 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.96 1uhz n LYS 22 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 1uhz n LYS 22 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1uhz n GLU 23 N -0.57 0.00 -2.52 1.64 1.02 -1.26 -4.71 120.64 114.24 1uhz n GLU 23 Ca 0.00 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1uhz n GLU 23 Cb 0.00 -0.96 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 1uhz n GLU 23 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1uhz s PRO 24 N -1.87 4.30 -0.52 3.49 0.04 -1.26 -4.86 135.00 134.32 1uhz s PRO 24 Ca 0.40 1.60 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 1uhz s PRO 24 Cb -0.19 -2.73 0.10 0.00 0.04 0.00 0.00 34.50 31.71 1uhz s PRO 24 CO 0.79 -0.04 0.51 -0.51 0.04 0.00 0.00 177.00 177.79 1uhz s ASP 25 N -1.36 6.18 -0.28 6.66 1.01 0.10 -4.89 116.67 124.09 1uhz s ASP 25 Ca 0.54 -1.50 -0.19 0.00 0.71 0.00 0.00 52.55 52.10 1uhz s ASP 25 Cb -0.25 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 1uhz s ASP 25 CO 0.31 -0.84 0.59 -0.31 0.21 0.00 0.00 175.17 175.14 1uhz s TYR 26 N 1.90 3.25 0.44 4.23 2.02 -1.26 0.26 117.35 128.19 1uhz s TYR 26 Ca 0.06 0.64 0.05 0.00 -0.37 0.00 0.00 57.07 57.46 1uhz s TYR 26 Cb -0.26 -2.87 -0.06 0.00 -0.40 0.00 0.00 41.96 38.37 1uhz s TYR 26 CO 0.06 -0.38 0.03 0.42 -1.57 0.00 0.00 175.55 174.10 1uhz s ILE 27 N 2.49 1.79 -0.24 2.71 1.09 0.94 -4.94 121.20 125.03 1uhz s ILE 27 Ca 0.24 -1.97 -0.03 0.00 -1.10 0.00 0.00 60.65 57.78 1uhz s ILE 27 Cb -0.15 -2.76 0.01 0.00 -1.06 0.00 0.00 42.46 38.49 1uhz s ILE 27 CO 0.10 0.00 -0.03 -0.22 -0.10 0.00 0.00 174.94 174.69 1uhz s LEU 28 N -3.78 3.13 -0.06 2.97 2.96 -1.26 -0.20 118.68 122.45 1uhz s LEU 28 Ca 0.28 -0.63 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 1uhz s LEU 28 Cb 0.07 -1.73 -0.12 0.00 0.50 0.00 0.00 46.19 44.92 1uhz s LEU 28 CO 0.14 -0.09 0.67 -0.07 -1.32 0.00 0.00 176.35 175.69 1uhz h LEU 29 N 8.09 -0.23 0.00 -0.68 3.38 -1.62 -3.47 115.31 120.78 1uhz h LEU 29 Ca -0.37 -0.23 0.19 0.00 0.09 0.00 0.00 57.88 57.56 1uhz h LEU 29 Cb 1.13 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1uhz h LEU 29 CO 0.59 0.30 0.57 -1.20 0.09 0.00 0.00 178.44 178.80 1uhz n SER 30 N -4.95 -1.22 -3.57 -0.43 7.64 -1.22 -5.01 113.62 104.85 1uhz n SER 30 Ca -0.06 -1.52 -0.21 0.00 1.01 0.00 0.00 58.87 58.08 1uhz n SER 30 Cb 0.22 1.96 -0.15 0.00 -1.01 0.00 0.00 64.21 65.24 1uhz n SER 30 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1uhz s GLU 31 N -2.03 0.10 0.01 1.43 2.02 -1.26 -0.94 118.70 118.04 1uhz s GLU 31 Ca 0.21 0.17 -0.00 0.00 0.02 0.00 0.00 54.97 55.36 1uhz s GLU 31 Cb -0.02 -1.25 0.00 0.00 0.10 0.00 0.00 34.13 32.96 1uhz s GLU 31 CO 0.03 -0.59 0.02 0.54 0.02 0.00 0.00 175.26 175.28 1uhz n ARG 32 N 5.30 0.03 0.00 1.61 3.00 0.13 -5.00 116.66 121.73 1uhz n ARG 32 Ca -0.06 -0.10 0.00 0.00 -0.01 0.00 0.00 57.85 57.69 1uhz n ARG 32 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 32.46 33.05 1uhz n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1uhz n GLY 33 N -0.02 1.63 3.03 -0.13 0.00 -1.26 0.20 105.19 108.64 1uhz n GLY 33 Ca -0.00 -2.04 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1uhz n GLY 33 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uhz n MET 34 N 1.25 -0.06 0.03 1.61 2.81 -1.26 -4.47 117.12 117.03 1uhz n MET 34 Ca 0.00 -0.01 -0.16 0.00 -1.81 0.00 0.00 57.70 55.71 1uhz n MET 34 Cb 0.00 -1.07 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 1uhz n MET 34 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1uhz h PRO 35 N -1.06 0.61 0.00 0.03 0.13 -1.96 0.61 132.00 130.36 1uhz h PRO 35 Ca -0.43 -0.59 -0.13 0.00 -0.87 0.00 0.00 66.00 63.98 1uhz h PRO 35 Cb 1.33 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.59 1uhz h PRO 35 CO 0.23 1.20 -0.71 0.00 -0.23 0.00 0.00 178.00 178.50 1uhz h ARG 36 N 0.37 0.00 0.13 0.86 3.08 -2.02 -3.38 114.38 113.42 1uhz h ARG 36 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1uhz h ARG 36 Cb 1.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1uhz h ARG 36 CO 0.17 0.95 -0.06 0.00 -1.07 0.00 0.00 179.97 179.97 1uhz h ARG 37 N -1.00 -0.17 -3.63 0.04 -0.00 -1.93 -3.49 114.38 104.20 1uhz h ARG 37 Ca -0.19 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.30 1uhz h ARG 37 Cb 1.14 0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.14 1uhz h ARG 37 CO -0.12 0.04 -0.91 0.54 0.00 0.00 0.00 179.97 179.53 1uhz n ARG 38 N -5.08 -4.29 -3.65 0.04 5.12 0.21 -4.57 116.66 104.43 1uhz n ARG 38 Ca -0.09 3.25 -0.20 0.00 -1.93 0.00 0.00 57.85 58.89 1uhz n ARG 38 Cb 0.16 -3.80 -0.17 0.00 -1.16 0.00 0.00 32.46 27.49 1uhz n ARG 38 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1uhz s GLU 39 N -4.40 -0.01 -0.19 5.56 2.12 0.54 -4.15 118.70 118.16 1uhz s GLU 39 Ca 0.00 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.67 1uhz s GLU 39 Cb 0.00 -0.66 -0.01 0.00 0.26 0.00 0.00 34.13 33.73 1uhz s GLU 39 CO 0.00 -0.39 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.19 1uhz s PHE 40 N 2.21 2.90 -0.08 5.30 0.40 -0.99 0.17 117.98 127.90 1uhz s PHE 40 Ca 0.04 -0.96 -0.19 0.00 -0.60 0.00 0.00 56.93 55.22 1uhz s PHE 40 Cb -0.13 -2.02 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1uhz s PHE 40 CO -0.05 -0.50 0.54 0.08 0.70 0.00 0.00 175.22 175.99 1uhz s VAL 41 N 1.18 5.09 -0.02 -0.44 1.01 -0.11 -3.10 120.40 124.01 1uhz s VAL 41 Ca 0.02 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.13 1uhz s VAL 41 Cb -0.14 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1uhz s VAL 41 CO -0.03 0.35 -0.13 -0.32 0.00 0.00 0.00 175.10 174.97 1uhz s MET 42 N 0.38 1.16 0.18 2.72 1.75 0.13 -1.59 119.30 124.02 1uhz s MET 42 Ca 0.29 -0.47 0.07 0.00 -1.25 0.00 0.00 55.69 54.34 1uhz s MET 42 Cb -0.16 -1.09 -0.04 0.00 2.84 0.00 0.00 34.83 36.37 1uhz s MET 42 CO 0.13 0.25 0.01 -1.14 -0.65 0.00 0.00 175.02 173.63 1uhz s GLN 43 N -0.17 2.45 -0.04 4.11 0.74 0.72 0.21 119.66 127.68 1uhz s GLN 43 Ca 0.02 -1.11 -0.00 0.00 0.05 0.00 0.00 55.36 54.32 1uhz s GLN 43 Cb -0.07 -2.37 0.03 0.00 1.10 0.00 0.00 33.01 31.70 1uhz s GLN 43 CO 0.00 0.45 0.01 0.54 -0.55 0.00 0.00 175.29 175.74 1uhz s VAL 44 N -1.78 0.18 -0.23 1.34 0.11 0.13 -0.04 120.40 120.11 1uhz s VAL 44 Ca 0.28 0.15 -0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1uhz s VAL 44 Cb -0.09 -0.32 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 1uhz s VAL 44 CO 0.19 0.18 -0.10 -0.75 -3.33 0.00 0.00 175.10 171.29 1uhz s LYS 45 N 1.45 2.83 -0.22 1.54 2.20 0.14 0.34 119.74 128.02 1uhz s LYS 45 Ca -0.04 -0.97 -0.00 0.00 -0.36 0.00 0.00 55.97 54.60 1uhz s LYS 45 Cb -0.13 -2.87 0.06 0.00 -1.51 0.00 0.00 37.83 33.38 1uhz s LYS 45 CO -0.03 -0.36 -0.03 0.08 -0.36 0.00 0.00 175.35 174.65 1uhz s VAL 46 N 1.29 1.26 0.00 4.02 1.01 0.10 0.02 120.40 128.11 1uhz s VAL 46 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1uhz s VAL 46 Cb -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1uhz s VAL 46 CO -0.07 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1uhz n GLY 47 N 4.77 2.35 1.36 4.51 0.00 -1.26 0.25 105.19 117.18 1uhz n GLY 47 Ca -0.11 0.34 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1uhz n GLY 47 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uhz n ASN 48 N 10.01 3.75 -4.26 1.61 3.02 -1.26 -4.96 115.26 123.17 1uhz n ASN 48 Ca 0.00 -3.33 -0.20 0.00 -0.03 0.00 0.00 54.58 51.02 1uhz n ASN 48 Cb 0.00 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 38.41 1uhz n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1uhz s GLU 49 N -3.03 1.08 0.03 3.52 8.01 0.14 -5.16 118.70 123.30 1uhz s GLU 49 Ca 0.48 -1.25 -0.02 0.00 0.01 0.00 0.00 54.97 54.19 1uhz s GLU 49 Cb 0.40 -1.07 -0.02 0.00 -4.31 0.00 0.00 34.13 29.13 1uhz s GLU 49 CO 0.08 0.22 0.00 0.54 0.01 0.00 0.00 175.26 176.11 1uhz s VAL 50 N -1.91 0.14 0.28 2.63 0.11 -1.26 0.03 120.40 120.42 1uhz s VAL 50 Ca 0.09 -1.19 -0.09 0.00 -2.93 0.00 0.00 61.98 57.86 1uhz s VAL 50 Cb -0.06 -0.75 -0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1uhz s VAL 50 CO 0.04 -0.65 0.48 0.00 -3.33 0.00 0.00 175.10 171.63 1uhz s ALA 51 N -2.37 0.10 0.05 1.54 0.00 0.15 -4.92 121.76 116.31 1uhz s ALA 51 Ca -0.07 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 50.68 1uhz s ALA 51 Cb -0.03 1.09 0.01 0.00 0.00 0.00 0.00 23.12 24.18 1uhz s ALA 51 CO -0.04 -0.83 0.22 0.95 0.00 0.00 0.00 175.76 176.06 1uhz s THR 52 N -3.63 0.11 -0.05 0.00 -4.23 -1.26 0.17 115.64 106.76 1uhz s THR 52 Ca 0.25 -0.90 -0.20 0.00 -1.18 0.00 0.00 61.69 59.67 1uhz s THR 52 Cb -0.00 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.87 1uhz s THR 52 CO 0.13 -0.49 0.43 -0.83 -0.54 0.00 0.00 174.62 173.32 1uhz s GLY 53 N -2.24 -0.30 0.03 3.99 0.00 0.13 -4.16 107.32 104.77 1uhz s GLY 53 Ca -0.03 0.73 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1uhz s GLY 53 CO -0.05 0.49 -0.06 -0.51 0.00 0.00 0.00 173.10 172.96 1uhz s THR 54 N -1.08 0.39 0.00 0.90 -4.23 -1.26 0.17 115.64 110.53 1uhz s THR 54 Ca -0.11 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1uhz s THR 54 Cb -0.03 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.33 1uhz s THR 54 CO 0.05 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1uhz n GLY 55 N 1.65 2.99 0.15 3.99 0.00 -1.18 -4.69 105.19 108.10 1uhz n GLY 55 Ca -0.22 -0.83 0.13 0.00 0.00 0.00 0.00 46.02 45.10 1uhz n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhz h PRO 56 N 0.00 0.00 -3.04 1.61 0.13 -1.81 -2.62 132.00 126.27 1uhz h PRO 56 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1uhz h PRO 56 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 1uhz h PRO 56 CO 0.00 0.00 0.04 0.54 -0.23 0.00 0.00 178.00 178.35 1uhz s ASN 57 N -4.78 -0.40 0.19 1.44 2.20 -1.26 -4.46 114.94 107.87 1uhz s ASN 57 Ca 0.07 -0.04 -0.16 0.00 -0.94 0.00 0.00 52.86 51.79 1uhz s ASN 57 Cb 0.10 0.51 0.16 0.00 -2.00 0.00 0.00 41.25 40.02 1uhz s ASN 57 CO 0.52 -0.83 1.65 0.50 -2.94 0.00 0.00 177.10 176.00 1uhz h LYS 58 N 2.44 -0.00 -0.56 3.55 3.64 -1.88 0.49 116.57 124.26 1uhz h LYS 58 Ca -0.33 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1uhz h LYS 58 Cb 1.25 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.00 1uhz h LYS 58 CO 0.42 -0.00 -0.36 0.87 -2.27 0.00 0.00 179.45 178.11 1uhz h LYS 59 N -0.00 -0.03 -0.71 1.90 6.56 -1.96 0.86 116.57 123.18 1uhz h LYS 59 Ca 0.24 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.83 1uhz h LYS 59 Cb 0.37 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.01 1uhz h LYS 59 CO -0.52 -0.02 0.44 0.82 -2.06 0.00 0.00 179.45 178.11 1uhz h ILE 60 N -0.04 1.19 -0.07 1.86 2.04 -1.75 -2.46 117.51 118.29 1uhz h ILE 60 Ca 0.09 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1uhz h ILE 60 Cb 0.27 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 1uhz h ILE 60 CO -0.54 0.20 -0.38 0.00 0.00 0.00 0.00 178.15 177.43 1uhz h ALA 61 N 1.51 -0.53 -0.93 1.87 0.00 0.54 0.50 119.26 122.22 1uhz h ALA 61 Ca 0.26 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.31 1uhz h ALA 61 Cb -0.07 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 1uhz h ALA 61 CO -0.05 -0.88 0.53 -0.22 0.00 0.00 0.00 179.25 178.63 1uhz h LYS 62 N -0.49 0.73 -0.66 0.00 3.64 0.75 0.44 116.57 120.98 1uhz h LYS 62 Ca 0.07 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1uhz h LYS 62 Cb 0.60 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1uhz h LYS 62 CO -0.34 0.48 0.35 0.87 -2.27 0.00 0.00 179.45 178.55 1uhz h LYS 63 N 0.75 0.92 0.00 1.90 6.56 -0.52 0.20 116.57 126.38 1uhz h LYS 63 Ca 0.50 -0.11 -0.04 0.00 -1.06 0.00 0.00 60.65 59.94 1uhz h LYS 63 Cb 0.68 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.16 1uhz h LYS 63 CO -0.34 0.70 -0.20 -0.91 -2.06 0.00 0.00 179.45 176.64 1uhz h ASN 64 N 0.90 0.00 0.06 0.86 2.35 0.31 -0.66 115.58 119.40 1uhz h ASN 64 Ca 0.23 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1uhz h ASN 64 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1uhz h ASN 64 CO -0.04 0.20 -0.03 0.00 -1.65 0.00 0.00 177.43 175.91 1uhz h ALA 65 N 1.80 -0.09 -0.47 -0.83 0.00 0.12 -2.29 119.26 117.51 1uhz h ALA 65 Ca -0.00 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1uhz h ALA 65 Cb 0.58 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1uhz h ALA 65 CO 0.03 -0.18 0.31 0.00 0.00 0.00 0.00 179.25 179.41 1uhz h ALA 66 N -0.07 1.73 0.66 0.00 0.00 -0.53 -1.60 119.26 119.45 1uhz h ALA 66 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1uhz h ALA 66 Cb 0.63 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1uhz h ALA 66 CO 0.01 0.23 -0.32 1.49 0.00 0.00 0.00 179.25 180.67 1uhz h GLU 67 N 0.58 -0.85 -0.93 0.00 4.81 -1.13 -1.33 114.58 115.73 1uhz h GLU 67 Ca 0.18 0.06 0.25 0.00 -0.13 0.00 0.00 59.36 59.72 1uhz h GLU 67 Cb 0.02 0.19 -0.13 0.00 0.63 0.00 0.00 28.75 29.46 1uhz h GLU 67 CO -0.04 -0.57 0.44 0.00 -0.73 0.00 0.00 179.01 178.10 1uhz h ALA 68 N -1.52 1.58 -0.26 2.92 0.00 -1.17 0.35 119.26 121.16 1uhz h ALA 68 Ca -0.09 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1uhz h ALA 68 Cb 0.68 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1uhz h ALA 68 CO 0.15 -0.40 0.05 1.98 0.00 0.00 0.00 179.25 181.02 1uhz h MET 69 N 0.38 0.14 -0.60 0.00 1.85 -1.08 0.49 114.93 116.10 1uhz h MET 69 Ca 0.61 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.70 1uhz h MET 69 Cb 1.23 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 33.20 1uhz h MET 69 CO -0.56 0.09 0.39 -0.07 -0.40 0.00 0.00 176.91 176.36 1uhz h LEU 70 N 0.14 0.67 -0.97 3.39 3.38 0.79 0.48 115.31 123.20 1uhz h LEU 70 Ca 0.12 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1uhz h LEU 70 Cb 0.13 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1uhz h LEU 70 CO -0.16 0.48 0.62 -0.07 0.09 0.00 0.00 178.44 179.40 1uhz h LEU 71 N 0.79 0.99 -0.36 1.67 -0.00 -0.29 0.47 115.31 118.57 1uhz h LEU 71 Ca 0.23 0.01 -0.19 0.00 -0.00 0.00 0.00 57.88 57.93 1uhz h LEU 71 Cb -0.06 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 40.40 1uhz h LEU 71 CO -0.06 0.62 -0.65 0.06 -0.00 0.00 0.00 178.44 178.41 1uhz h GLN 72 N 1.12 0.63 -0.68 1.13 3.07 0.18 -3.10 115.11 117.46 1uhz h GLN 72 Ca 0.42 -0.45 -0.07 0.00 0.09 0.00 0.00 58.65 58.64 1uhz h GLN 72 Cb 0.18 0.08 -0.03 0.00 0.08 0.00 0.00 27.48 27.79 1uhz h GLN 72 CO -0.18 1.07 0.15 -0.07 0.09 0.00 0.00 178.83 179.90 1uhz h LEU 73 N 0.46 1.05 0.00 0.06 3.38 0.12 -3.47 115.31 116.91 1uhz h LEU 73 Ca -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1uhz h LEU 73 Cb 1.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1uhz h LEU 73 CO 0.13 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.29 1uhz n GLY 74 N -0.63 1.39 0.00 0.83 0.00 0.15 -5.02 105.19 101.91 1uhz n GLY 74 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1uhz n GLY 74 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uhz n TYR 75 N -0.24 0.00 -1.92 1.61 4.02 -0.51 -4.54 117.16 115.58 1uhz n TYR 75 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1uhz n TYR 75 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 1uhz n TYR 75 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1uhz n LYS 76 N -1.81 0.00 -0.01 -0.72 5.02 -1.25 -4.89 118.16 114.50 1uhz n LYS 76 Ca -0.01 -0.90 -0.04 0.00 -2.02 0.00 0.00 58.31 55.34 1uhz n LYS 76 Cb 0.34 -0.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.85 1uhz n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uhz h ALA 77 N 0.00 -0.09 -0.47 7.82 0.00 -1.80 -1.99 119.26 122.73 1uhz h ALA 77 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1uhz h ALA 77 Cb 1.34 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 1uhz h ALA 77 CO 0.00 -0.09 -0.41 1.03 0.00 0.00 0.00 179.25 179.78 1uhz h SER 78 N -1.01 -1.39 0.05 0.00 0.87 -1.90 0.14 113.55 110.31 1uhz h SER 78 Ca -0.01 0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1uhz h SER 78 Cb 0.23 0.62 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 1uhz h SER 78 CO 0.02 -0.35 -0.15 0.74 -0.53 0.00 0.00 176.83 176.56 1uhz h THR 79 N -0.28 0.65 -0.46 2.23 2.02 -1.91 -2.59 112.91 112.58 1uhz h THR 79 Ca 0.16 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.39 1uhz h THR 79 Cb 0.57 0.65 -0.08 0.00 -1.74 0.00 0.00 68.15 67.55 1uhz h THR 79 CO -0.61 0.00 -0.52 -1.28 0.37 0.00 0.00 175.52 173.48 1uhz h SER 80 N -0.27 -1.77 -0.40 4.18 0.87 -0.40 0.49 113.55 116.25 1uhz h SER 80 Ca 0.03 0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1uhz h SER 80 Cb 0.31 0.73 -0.05 0.00 -0.44 0.00 0.00 62.40 62.95 1uhz h SER 80 CO -0.11 -0.35 -0.28 -0.07 -0.53 0.00 0.00 176.83 175.49 1uhz h LEU 81 N -0.32 -1.00 -0.47 2.23 4.07 -0.58 0.26 115.31 119.51 1uhz h LEU 81 Ca 0.08 0.15 0.05 0.00 0.08 0.00 0.00 57.88 58.23 1uhz h LEU 81 Cb 0.53 0.43 -0.06 0.00 1.08 0.00 0.00 40.66 42.64 1uhz h LEU 81 CO -0.60 -0.14 -0.36 1.56 -1.08 0.00 0.00 178.44 177.83 1uhz h GLN 82 N -0.06 -0.10 -0.86 1.13 4.20 -0.94 0.56 115.11 119.05 1uhz h GLN 82 Ca 0.06 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.90 1uhz h GLN 82 Cb 0.22 0.02 -0.14 0.00 0.30 0.00 0.00 27.48 27.89 1uhz h GLN 82 CO -0.40 -0.07 -0.43 0.22 -0.67 0.00 0.00 178.83 177.48 1uhz h ASP 83 N -0.10 -1.57 -0.38 1.46 3.58 0.25 0.71 116.42 120.37 1uhz h ASP 83 Ca 0.08 0.29 0.07 0.00 0.42 0.00 0.00 57.03 57.89 1uhz h ASP 83 Cb 0.30 0.76 -0.07 0.00 1.72 0.00 0.00 39.33 42.05 1uhz h ASP 83 CO -0.49 -0.29 -0.05 -1.28 -2.88 0.00 0.00 179.24 174.24 1uhz h SER 84 N -0.07 -0.27 -0.79 2.28 0.87 0.18 -3.40 113.55 112.35 1uhz h SER 84 Ca 0.26 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.98 1uhz h SER 84 Cb 0.55 0.20 -0.20 0.00 -0.44 0.00 0.00 62.40 62.51 1uhz h SER 84 CO -0.88 -0.09 -0.30 -0.83 -0.53 0.00 0.00 176.83 174.20 1uhz s GLY 85 N -2.94 -1.22 0.73 5.77 0.00 0.17 -5.09 107.32 104.74 1uhz s GLY 85 Ca -0.14 1.15 -0.11 0.00 0.00 0.00 0.00 44.72 45.63 1uhz s GLY 85 CO 0.71 3.82 1.07 2.56 0.00 0.00 0.00 173.10 181.25 1uhz s PRO 86 N 2.63 2.67 -0.46 2.90 0.04 0.19 -4.33 135.00 138.65 1uhz s PRO 86 Ca 0.15 0.86 -0.25 0.00 0.04 0.00 0.00 61.00 61.80 1uhz s PRO 86 Cb -0.06 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1uhz s PRO 86 CO -0.21 -1.26 0.63 0.43 0.04 0.00 0.00 177.00 176.63 1uhz n SER 87 N -3.22 -6.89 -0.04 6.66 7.64 -1.26 -4.98 113.62 111.52 1uhz n SER 87 Ca 0.07 0.20 -0.08 0.00 1.01 0.00 0.00 58.87 60.08 1uhz n SER 87 Cb 0.54 -3.79 -0.03 0.00 -1.01 0.00 0.00 64.21 59.93 1uhz n SER 87 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uhz n SER 88 N -0.35 1.54 0.00 6.43 2.88 -1.26 -5.20 113.62 117.66 1uhz n SER 88 Ca 0.02 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1uhz n SER 88 Cb 0.56 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1uhz n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42