#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 1.48 0.28 1.61 1.04 -1.26 -5.06 113.70 111.79 1uhz s SER 2 Ca 0.00 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1uhz s SER 2 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1uhz s SER 2 CO 0.00 -0.30 0.00 -1.20 0.98 0.00 0.00 173.24 172.72 1uhz n SER 3 N 0.32 -0.11 0.00 7.02 7.64 -1.26 -5.01 113.62 122.22 1uhz n SER 3 Ca -0.14 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1uhz n SER 3 Cb 0.59 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 1uhz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhz n GLY 4 N 1.62 2.28 3.62 0.23 0.00 -1.26 -4.64 105.19 107.05 1uhz n GLY 4 Ca 0.00 -1.41 -0.44 0.00 0.00 0.00 0.00 46.02 44.17 1uhz n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uhz n SER 5 N 0.00 3.56 -2.32 1.61 2.88 -1.26 -4.06 113.62 114.03 1uhz n SER 5 Ca 0.00 0.56 -0.01 0.00 -1.33 0.00 0.00 58.87 58.09 1uhz n SER 5 Cb 0.00 -1.51 -0.01 0.00 -0.75 0.00 0.00 64.21 61.94 1uhz n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uhz n SER 6 N 9.47 -7.59 -1.28 -3.46 7.64 -1.26 -5.08 113.62 112.05 1uhz n SER 6 Ca 0.26 1.68 0.00 0.00 1.01 0.00 0.00 58.87 61.82 1uhz n SER 6 Cb 0.40 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 1uhz n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uhz n GLY 7 N 1.71 0.74 0.13 0.23 0.00 -1.26 -5.02 105.19 101.73 1uhz n GLY 7 Ca -0.07 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.00 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 0.16 0.00 1.61 0.13 -1.92 -2.72 132.00 129.27 1uhz h PRO 8 Ca -0.02 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1uhz h PRO 8 Cb 0.12 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.29 1uhz h PRO 8 CO 0.03 0.87 0.00 -0.89 -0.23 0.00 0.00 178.00 177.78 1uhz n ILE 9 N -3.70 0.00 -0.39 -3.56 5.41 -1.26 -1.57 119.36 114.29 1uhz n ILE 9 Ca -0.03 0.95 -0.05 0.00 1.00 0.00 0.00 62.75 64.63 1uhz n ILE 9 Cb 0.75 -1.82 -0.01 0.00 -0.71 0.00 0.00 39.64 37.86 1uhz n ILE 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1uhz h SER 10 N 0.00 -1.69 -0.42 4.38 0.02 -1.82 0.33 113.55 114.35 1uhz h SER 10 Ca 0.00 0.32 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1uhz h SER 10 Cb 0.00 0.82 -0.08 0.00 0.14 0.00 0.00 62.40 63.28 1uhz h SER 10 CO 0.00 -0.27 -0.55 -0.09 -1.14 0.00 0.00 176.83 174.78 1uhz h ARG 11 N -0.01 -0.36 -0.80 3.45 1.12 -1.58 0.71 114.38 116.92 1uhz h ARG 11 Ca 0.28 0.02 0.15 0.00 -1.11 0.00 0.00 59.98 59.32 1uhz h ARG 11 Cb 0.53 0.08 -0.10 0.00 -0.01 0.00 0.00 29.97 30.48 1uhz h ARG 11 CO -0.97 -0.24 0.36 1.25 -3.11 0.00 0.00 179.97 177.27 1uhz h LEU 12 N -0.37 0.39 -0.82 3.80 6.46 0.27 0.31 115.31 125.34 1uhz h LEU 12 Ca 0.07 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 1uhz h LEU 12 Cb 0.57 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 1uhz h LEU 12 CO -0.60 0.15 0.52 0.00 -0.62 0.00 0.00 178.44 177.90 1uhz h ALA 13 N 1.56 1.08 0.00 1.25 0.00 0.29 0.12 119.26 123.56 1uhz h ALA 13 Ca 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1uhz h ALA 13 Cb 0.66 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1uhz h ALA 13 CO -0.39 0.35 -0.10 1.96 0.00 0.00 0.00 179.25 181.06 1uhz h GLN 14 N 1.02 0.00 0.12 0.00 4.20 0.39 -0.09 115.11 120.76 1uhz h GLN 14 Ca 0.33 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.76 1uhz h GLN 14 Cb 0.01 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1uhz h GLN 14 CO -0.11 0.10 -1.22 0.82 -0.67 0.00 0.00 178.83 177.76 1uhz h ILE 15 N 0.00 1.46 0.00 2.54 2.04 0.51 0.27 117.51 124.34 1uhz h ILE 15 Ca -0.00 -2.92 -0.09 0.00 1.00 0.00 0.00 64.86 62.84 1uhz h ILE 15 Cb 0.22 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1uhz h ILE 15 CO 0.01 0.86 -0.45 1.56 0.00 0.00 0.00 178.15 180.13 1uhz h GLN 16 N 0.11 0.00 0.10 2.37 1.08 0.22 0.75 115.11 119.74 1uhz h GLN 16 Ca -0.14 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.75 1uhz h GLN 16 Cb 1.93 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.34 1uhz h GLN 16 CO 0.21 0.45 -1.70 -0.56 -0.95 0.00 0.00 178.83 176.27 1uhz h GLN 17 N 0.00 0.21 -0.19 1.46 3.07 -1.06 -2.31 115.11 116.30 1uhz h GLN 17 Ca -0.00 -0.36 -0.04 0.00 0.09 0.00 0.00 58.65 58.34 1uhz h GLN 17 Cb 0.82 0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.50 1uhz h GLN 17 CO 0.06 1.17 -0.05 0.00 0.09 0.00 0.00 178.83 180.10 1uhz h ALA 18 N -0.08 1.57 0.00 0.06 0.00 -0.44 -0.31 119.26 120.06 1uhz h ALA 18 Ca -0.38 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1uhz h ALA 18 Cb 1.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1uhz h ALA 18 CO 0.02 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1uhz h ARG 19 N 0.27 0.00 -1.38 0.00 3.08 -0.98 -3.47 114.38 111.91 1uhz h ARG 19 Ca 0.06 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.87 1uhz h ARG 19 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1uhz h ARG 19 CO 0.01 0.00 -0.28 1.63 -1.07 0.00 0.00 179.97 180.26 1uhz n LYS 20 N -2.92 -0.91 0.00 0.04 5.02 -0.13 -4.94 118.16 114.33 1uhz n LYS 20 Ca 0.03 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1uhz n LYS 20 Cb 0.45 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 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 -2.27 0.00 0.00 1.97 -0.58 -0.91 -5.04 120.64 113.81 1uhz n GLU 21 Ca -0.13 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1uhz n GLU 21 Cb 0.55 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 31.06 1uhz n GLU 21 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1uhz n LYS 22 N -1.72 0.00 -0.98 3.49 5.02 -0.94 -5.04 118.16 117.98 1uhz n LYS 22 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1uhz n LYS 22 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1uhz n LYS 22 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1uhz n GLU 23 N -0.34 0.00 -2.53 1.97 1.02 -1.26 -4.76 120.64 114.74 1uhz n GLU 23 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1uhz n GLU 23 Cb 0.00 -0.97 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.89 4.22 -0.45 3.49 0.04 -1.26 -4.92 135.00 134.23 1uhz s PRO 24 Ca 0.40 1.55 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 1uhz s PRO 24 Cb -0.19 -2.62 0.08 0.00 0.04 0.00 0.00 34.50 31.80 1uhz s PRO 24 CO 0.80 -0.10 0.33 -0.51 0.04 0.00 0.00 177.00 177.55 1uhz s ASP 25 N -1.48 5.91 0.08 6.66 1.11 0.71 -4.91 116.67 124.76 1uhz s ASP 25 Ca 0.56 -1.41 -0.21 0.00 0.18 0.00 0.00 52.55 51.67 1uhz s ASP 25 Cb -0.23 -2.09 -0.07 0.00 1.07 0.00 0.00 42.92 41.60 1uhz s ASP 25 CO 0.29 -0.60 0.62 -0.31 1.18 0.00 0.00 175.17 176.36 1uhz s TYR 26 N 1.54 3.80 -0.03 4.23 2.02 -1.26 0.38 117.35 128.03 1uhz s TYR 26 Ca 0.04 1.34 0.01 0.00 -0.37 0.00 0.00 57.07 58.09 1uhz s TYR 26 Cb -0.24 -2.58 0.02 0.00 -0.40 0.00 0.00 41.96 38.76 1uhz s TYR 26 CO 0.04 0.52 -0.04 0.42 -1.57 0.00 0.00 175.55 174.93 1uhz s ILE 27 N -0.92 0.43 -0.24 2.71 1.09 0.88 -4.96 121.20 120.19 1uhz s ILE 27 Ca 0.31 -0.11 -0.29 0.00 -1.10 0.00 0.00 60.65 59.46 1uhz s ILE 27 Cb -0.20 -0.45 0.01 0.00 -1.06 0.00 0.00 42.46 40.76 1uhz s ILE 27 CO 0.20 0.18 1.05 -0.22 -0.10 0.00 0.00 174.94 176.05 1uhz s LEU 28 N 0.65 4.08 -0.08 2.97 2.96 -1.26 0.11 118.68 128.12 1uhz s LEU 28 Ca -0.08 1.34 -0.11 0.00 -0.22 0.00 0.00 54.13 55.06 1uhz s LEU 28 Cb -0.11 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.96 1uhz s LEU 28 CO -0.00 -0.70 0.41 -0.07 -1.32 0.00 0.00 176.35 174.67 1uhz h LEU 29 N 9.53 -0.17 0.00 -0.68 3.38 -1.54 -3.48 115.31 122.36 1uhz h LEU 29 Ca -0.19 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.71 1uhz h LEU 29 Cb 1.06 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1uhz h LEU 29 CO 0.99 0.36 0.26 -1.20 0.09 0.00 0.00 178.44 178.94 1uhz n SER 30 N -4.90 -0.57 -3.35 -0.43 7.64 -1.18 -5.00 113.62 105.83 1uhz n SER 30 Ca -0.04 -1.25 -0.11 0.00 1.01 0.00 0.00 58.87 58.48 1uhz n SER 30 Cb 0.16 0.91 -0.08 0.00 -1.01 0.00 0.00 64.21 64.19 1uhz n SER 30 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1uhz s GLU 31 N -2.01 0.36 0.19 1.43 1.03 -1.26 -0.27 118.70 118.16 1uhz s GLU 31 Ca 0.09 0.31 -0.06 0.00 0.03 0.00 0.00 54.97 55.34 1uhz s GLU 31 Cb -0.01 -0.49 0.02 0.00 -0.80 0.00 0.00 34.13 32.85 1uhz s GLU 31 CO 0.01 -0.81 0.35 0.54 -1.33 0.00 0.00 175.26 174.02 1uhz n ARG 32 N 5.35 0.51 0.00 -4.83 3.00 0.13 -4.93 116.66 115.89 1uhz n ARG 32 Ca -0.02 -1.18 0.00 0.00 -0.01 0.00 0.00 57.85 56.64 1uhz n ARG 32 Cb 0.49 1.36 0.00 0.00 0.00 0.00 0.00 32.46 34.32 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 -0.27 0.21 3.07 -0.13 0.00 -1.26 0.19 105.19 106.99 1uhz n GLY 33 Ca -0.03 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 -0.03 0.02 1.61 2.81 -1.26 -4.63 117.12 115.64 1uhz n MET 34 Ca 0.00 -0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 1uhz n MET 34 Cb 0.00 -1.11 -0.08 0.00 -0.71 0.00 0.00 33.22 31.33 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 -1.00 -0.15 0.12 0.03 0.13 -1.97 -1.81 132.00 127.35 1uhz h PRO 35 Ca -0.44 0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.38 1uhz h PRO 35 Cb 1.31 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1uhz h PRO 35 CO 0.26 0.32 -1.73 0.07 -0.23 0.00 0.00 178.00 176.69 1uhz h ARG 36 N -0.90 0.24 0.08 0.86 0.11 -2.02 -3.38 114.38 109.37 1uhz h ARG 36 Ca -0.02 -0.42 -0.00 0.00 0.10 0.00 0.00 59.98 59.64 1uhz h ARG 36 Cb 0.54 0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.77 1uhz h ARG 36 CO 0.03 1.20 -0.04 0.00 0.10 0.00 0.00 179.97 181.26 1uhz h ARG 37 N -0.16 -0.10 -3.47 0.08 3.08 -1.94 -3.50 114.38 108.38 1uhz h ARG 37 Ca -0.38 0.01 0.22 0.00 0.07 0.00 0.00 59.98 59.90 1uhz h ARG 37 Cb 1.88 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 31.83 1uhz h ARG 37 CO 0.05 0.29 -1.10 0.54 -1.07 0.00 0.00 179.97 178.68 1uhz n ARG 38 N -4.94 -3.35 -3.71 0.04 5.12 -0.68 -4.64 116.66 104.50 1uhz n ARG 38 Ca -0.08 2.70 -0.22 0.00 -1.93 0.00 0.00 57.85 58.31 1uhz n ARG 38 Cb 0.23 -3.72 -0.18 0.00 -1.16 0.00 0.00 32.46 27.64 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 -4.72 0.28 -0.23 5.56 2.56 0.49 -4.24 118.70 118.40 1uhz s GLU 39 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 54.97 55.04 1uhz s GLU 39 Cb 0.00 -0.93 -0.05 0.00 2.00 0.00 0.00 34.13 35.16 1uhz s GLU 39 CO 0.00 -0.37 0.13 -0.06 -0.56 0.00 0.00 175.26 174.40 1uhz s PHE 40 N 2.06 3.28 -0.12 5.30 0.08 -0.91 0.22 117.98 127.88 1uhz s PHE 40 Ca 0.04 0.12 -0.19 0.00 0.12 0.00 0.00 56.93 57.02 1uhz s PHE 40 Cb -0.13 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1uhz s PHE 40 CO -0.05 0.04 0.53 0.08 -0.10 0.00 0.00 175.22 175.72 1uhz s VAL 41 N 0.98 5.14 0.07 -0.44 1.01 0.63 -3.34 120.40 124.46 1uhz s VAL 41 Ca 0.06 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.17 1uhz s VAL 41 Cb -0.13 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1uhz s VAL 41 CO 0.04 0.28 -0.20 -0.32 0.00 0.00 0.00 175.10 174.89 1uhz s MET 42 N 0.86 1.22 0.16 2.72 1.75 0.13 -1.36 119.30 124.78 1uhz s MET 42 Ca 0.28 -1.04 0.08 0.00 -1.25 0.00 0.00 55.69 53.76 1uhz s MET 42 Cb -0.16 -1.41 -0.04 0.00 2.84 0.00 0.00 34.83 36.06 1uhz s MET 42 CO 0.11 0.34 -0.18 -1.14 -0.65 0.00 0.00 175.02 173.51 1uhz s GLN 43 N -1.56 1.24 -0.03 4.11 0.74 0.31 0.19 119.66 124.67 1uhz s GLN 43 Ca 0.06 -1.38 -0.01 0.00 0.05 0.00 0.00 55.36 54.09 1uhz s GLN 43 Cb -0.09 -1.29 0.03 0.00 1.10 0.00 0.00 33.01 32.75 1uhz s GLN 43 CO 0.03 0.26 0.05 0.54 -0.55 0.00 0.00 175.29 175.63 1uhz s VAL 44 N -2.02 -0.05 -0.12 1.34 0.11 0.13 -0.09 120.40 119.70 1uhz s VAL 44 Ca 0.15 0.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1uhz s VAL 44 Cb -0.06 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.69 1uhz s VAL 44 CO 0.06 0.08 -0.21 -0.75 -3.33 0.00 0.00 175.10 170.95 1uhz s LYS 45 N 0.97 2.81 -0.20 1.54 2.20 0.16 0.30 119.74 127.53 1uhz s LYS 45 Ca -0.08 -0.78 -0.03 0.00 -0.36 0.00 0.00 55.97 54.72 1uhz s LYS 45 Cb -0.11 -2.25 0.06 0.00 -1.51 0.00 0.00 37.83 34.02 1uhz s LYS 45 CO -0.03 0.03 0.05 0.08 -0.36 0.00 0.00 175.35 175.11 1uhz s VAL 46 N 0.72 0.45 0.00 4.02 1.01 0.87 -0.20 120.40 127.27 1uhz s VAL 46 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1uhz s VAL 46 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1uhz s VAL 46 CO 0.01 -0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1uhz n GLY 47 N 5.07 0.60 0.00 4.51 0.00 -1.26 0.01 105.19 114.12 1uhz n GLY 47 Ca -0.08 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1uhz n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uhz n ASN 48 N 6.22 0.85 -4.93 1.61 5.15 -1.26 -5.04 115.26 117.86 1uhz n ASN 48 Ca 0.00 -1.04 -0.24 0.00 -0.60 0.00 0.00 54.58 52.70 1uhz n ASN 48 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1uhz n ASN 48 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1uhz s GLU 49 N -0.04 3.36 0.03 1.20 8.01 0.10 -5.12 118.70 126.24 1uhz s GLU 49 Ca 0.00 -0.70 -0.07 0.00 0.01 0.00 0.00 54.97 54.22 1uhz s GLU 49 Cb 0.00 -2.89 -0.01 0.00 -4.31 0.00 0.00 34.13 26.92 1uhz s GLU 49 CO 0.00 0.48 0.12 0.54 0.01 0.00 0.00 175.26 176.41 1uhz s VAL 50 N -1.84 0.12 0.26 2.63 0.11 -1.26 -0.09 120.40 120.33 1uhz s VAL 50 Ca 0.34 -0.98 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 1uhz s VAL 50 Cb -0.10 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1uhz s VAL 50 CO 0.28 -0.54 0.44 0.00 -3.33 0.00 0.00 175.10 171.95 1uhz s ALA 51 N -2.38 0.02 0.05 1.54 0.00 0.15 -4.84 121.76 116.30 1uhz s ALA 51 Ca -0.07 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 1uhz s ALA 51 Cb -0.02 1.11 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 1uhz s ALA 51 CO -0.03 -0.82 -0.01 0.95 0.00 0.00 0.00 175.76 175.84 1uhz s THR 52 N -3.89 0.21 -0.04 0.00 -4.23 -1.26 0.21 115.64 106.64 1uhz s THR 52 Ca 0.25 -1.77 -0.13 0.00 -1.18 0.00 0.00 61.69 58.86 1uhz s THR 52 Cb 0.00 -1.52 0.02 0.00 1.34 0.00 0.00 72.50 72.34 1uhz s THR 52 CO 0.11 -0.96 0.29 -0.83 -0.54 0.00 0.00 174.62 172.68 1uhz s GLY 53 N -2.92 -0.15 0.03 3.99 0.00 0.13 -3.82 107.32 104.58 1uhz s GLY 53 Ca 0.07 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.24 1uhz s GLY 53 CO -0.10 0.26 -0.06 -0.51 0.00 0.00 0.00 173.10 172.69 1uhz s THR 54 N -0.89 0.42 0.00 0.90 -4.23 -1.24 0.17 115.64 110.77 1uhz s THR 54 Ca -0.10 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1uhz s THR 54 Cb -0.05 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.31 1uhz s THR 54 CO 0.03 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1uhz n GLY 55 N 1.76 1.47 0.25 3.99 0.00 -1.21 -4.52 105.19 106.93 1uhz n GLY 55 Ca -0.21 -0.88 0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.74 1.61 0.13 -1.82 -2.43 132.00 125.74 1uhz h PRO 56 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 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 0.01 -0.34 0.54 -0.23 0.00 0.00 178.00 177.98 1uhz s ASN 57 N -5.96 0.08 0.17 1.44 4.22 -1.26 -4.59 114.94 109.04 1uhz s ASN 57 Ca 0.04 -0.60 -0.19 0.00 -2.14 0.00 0.00 52.86 49.98 1uhz s ASN 57 Cb 0.07 0.35 0.11 0.00 1.28 0.00 0.00 41.25 43.06 1uhz s ASN 57 CO 0.61 -0.73 1.64 0.11 -2.04 0.00 0.00 177.10 176.68 1uhz h LYS 58 N 2.75 -0.11 0.00 3.55 1.57 -1.88 0.40 116.57 122.85 1uhz h LYS 58 Ca -0.34 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1uhz h LYS 58 Cb 1.20 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1uhz h LYS 58 CO 0.55 -0.07 0.00 1.63 -0.57 0.00 0.00 179.45 180.99 1uhz n LYS 59 N -5.38 0.00 -0.32 3.15 5.02 -1.26 0.17 118.16 119.55 1uhz n LYS 59 Ca 0.02 0.97 0.08 0.00 -2.02 0.00 0.00 58.31 57.36 1uhz n LYS 59 Cb 0.28 -1.48 0.24 0.00 -0.02 0.00 0.00 35.03 34.05 1uhz n LYS 59 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1uhz h ILE 60 N 0.00 0.79 0.10 -0.18 2.04 -1.86 0.05 117.51 118.45 1uhz h ILE 60 Ca 0.00 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1uhz h ILE 60 Cb 0.00 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.01 1uhz h ILE 60 CO 0.00 0.14 -0.46 0.00 0.00 0.00 0.00 178.15 177.82 1uhz h ALA 61 N 1.55 -0.82 -0.27 1.87 0.00 0.42 0.26 119.26 122.27 1uhz h ALA 61 Ca 0.48 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.37 1uhz h ALA 61 Cb 0.62 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1uhz h ALA 61 CO -0.33 -1.04 -0.11 -0.22 0.00 0.00 0.00 179.25 177.55 1uhz h LYS 62 N -0.68 -0.06 -0.85 0.00 3.64 0.28 0.16 116.57 119.05 1uhz h LYS 62 Ca 0.02 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.60 1uhz h LYS 62 Cb 0.71 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.42 1uhz h LYS 62 CO -0.28 -0.04 0.34 0.87 -2.27 0.00 0.00 179.45 178.07 1uhz h LYS 63 N -0.07 0.37 -0.19 1.90 1.57 -0.20 1.05 116.57 121.00 1uhz h LYS 63 Ca 0.14 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1uhz h LYS 63 Cb 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1uhz h LYS 63 CO -0.31 0.24 -0.29 -0.91 -0.57 0.00 0.00 179.45 177.61 1uhz h ASN 64 N 0.38 0.37 0.54 0.86 2.35 0.15 -2.06 115.58 118.17 1uhz h ASN 64 Ca 0.52 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 56.11 1uhz h ASN 64 Cb 0.94 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.22 1uhz h ASN 64 CO -0.52 0.66 -0.26 0.00 -1.65 0.00 0.00 177.43 175.66 1uhz h ALA 65 N 1.37 -0.73 -0.90 -0.83 0.00 0.37 -0.61 119.26 117.94 1uhz h ALA 65 Ca 0.05 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1uhz h ALA 65 Cb 0.68 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1uhz h ALA 65 CO 0.05 -0.89 0.53 0.00 0.00 0.00 0.00 179.25 178.94 1uhz h ALA 66 N -0.30 1.34 0.41 0.00 0.00 -0.81 -1.65 119.26 118.25 1uhz h ALA 66 Ca -0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1uhz h ALA 66 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1uhz h ALA 66 CO 0.12 0.11 -0.39 1.49 0.00 0.00 0.00 179.25 180.58 1uhz h GLU 67 N 0.84 -0.77 -0.84 0.00 4.81 -0.92 0.85 114.58 118.54 1uhz h GLU 67 Ca 0.45 0.05 0.20 0.00 -0.13 0.00 0.00 59.36 59.94 1uhz h GLU 67 Cb 0.48 0.18 -0.15 0.00 0.63 0.00 0.00 28.75 29.89 1uhz h GLU 67 CO -0.28 -0.51 0.02 0.00 -0.73 0.00 0.00 179.01 177.51 1uhz h ALA 68 N -1.12 0.93 0.09 2.92 0.00 -0.62 1.58 119.26 123.04 1uhz h ALA 68 Ca -0.05 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1uhz h ALA 68 Cb 0.69 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1uhz h ALA 68 CO -0.04 -0.46 -0.21 1.98 0.00 0.00 0.00 179.25 180.52 1uhz h MET 69 N 0.09 -0.37 -0.24 0.00 1.85 -0.73 0.77 114.93 116.30 1uhz h MET 69 Ca 0.48 0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 59.53 1uhz h MET 69 Cb 0.89 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.99 1uhz h MET 69 CO -0.75 -0.25 -0.11 -0.07 -0.40 0.00 0.00 176.91 175.33 1uhz h LEU 70 N -0.38 0.37 -0.68 3.39 3.38 0.18 0.28 115.31 121.86 1uhz h LEU 70 Ca 0.03 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1uhz h LEU 70 Cb 0.41 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1uhz h LEU 70 CO -0.13 0.52 -0.10 -0.07 0.09 0.00 0.00 178.44 178.75 1uhz h LEU 71 N 0.37 0.92 -0.15 1.67 3.38 0.31 0.64 115.31 122.44 1uhz h LEU 71 Ca 0.07 -0.29 -0.23 0.00 0.09 0.00 0.00 57.88 57.52 1uhz h LEU 71 Cb 0.42 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1uhz h LEU 71 CO 0.02 1.03 -0.87 0.06 0.09 0.00 0.00 178.44 178.78 1uhz h GLN 72 N 0.82 0.68 -0.15 1.13 3.07 0.12 -3.08 115.11 117.71 1uhz h GLN 72 Ca 0.13 -0.62 -0.05 0.00 0.09 0.00 0.00 58.65 58.21 1uhz h GLN 72 Cb 0.63 0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.33 1uhz h GLN 72 CO 0.04 1.22 -0.14 -0.07 0.09 0.00 0.00 178.83 179.98 1uhz h LEU 73 N 0.43 0.22 0.00 0.06 3.38 -0.28 -3.46 115.31 115.66 1uhz h LEU 73 Ca -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1uhz h LEU 73 Cb 1.50 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1uhz h LEU 73 CO 0.17 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.70 1uhz n GLY 74 N -0.85 1.66 0.00 0.83 0.00 -0.06 -5.01 105.19 101.75 1uhz n GLY 74 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.55 0.00 -2.09 1.61 4.02 0.20 -4.48 117.16 115.87 1uhz n TYR 75 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 1uhz n TYR 75 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 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 -1.47 0.00 -0.05 -0.72 4.76 -1.14 -4.89 118.16 114.65 1uhz n LYS 76 Ca 0.02 -1.14 -0.01 0.00 -2.87 0.00 0.00 58.31 54.31 1uhz n LYS 76 Cb 0.26 -0.37 -0.01 0.00 -1.84 0.00 0.00 35.03 33.07 1uhz n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uhz h ALA 77 N 0.18 0.00 -0.54 7.82 0.00 -1.78 -1.90 119.26 123.04 1uhz h ALA 77 Ca -0.05 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1uhz h ALA 77 Cb 1.47 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 1uhz h ALA 77 CO 0.02 0.07 -0.46 0.77 0.00 0.00 0.00 179.25 179.64 1uhz h SER 78 N -1.00 -1.58 0.69 0.00 0.02 -1.90 0.25 113.55 110.03 1uhz h SER 78 Ca -0.00 0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1uhz h SER 78 Cb 0.10 0.70 0.01 0.00 0.14 0.00 0.00 62.40 63.34 1uhz h SER 78 CO -0.00 -0.35 -0.34 0.74 -1.14 0.00 0.00 176.83 175.74 1uhz h THR 79 N -0.27 0.31 -0.43 -2.27 2.02 -1.91 -2.24 112.91 108.12 1uhz h THR 79 Ca 0.15 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.37 1uhz h THR 79 Cb 0.57 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.23 1uhz h THR 79 CO -0.66 0.00 -0.28 -1.28 0.37 0.00 0.00 175.52 173.67 1uhz h SER 80 N -0.93 -1.00 -0.18 4.18 0.87 -0.51 0.31 113.55 116.28 1uhz h SER 80 Ca -0.09 0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1uhz h SER 80 Cb 0.72 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 1uhz h SER 80 CO 0.15 -0.12 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.11 1uhz h LEU 81 N -0.03 -0.53 -0.80 2.23 3.38 -0.51 0.13 115.31 119.19 1uhz h LEU 81 Ca 0.07 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.19 1uhz h LEU 81 Cb 0.20 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 1uhz h LEU 81 CO -0.42 -0.08 -0.47 0.00 0.09 0.00 0.00 178.44 177.56 1uhz n GLN 82 N -3.50 -0.35 -0.26 1.13 6.02 -0.61 0.93 117.38 120.74 1uhz n GLN 82 Ca -0.00 1.35 -0.11 0.00 -0.01 0.00 0.00 57.00 58.23 1uhz n GLN 82 Cb 0.08 -1.99 -0.08 0.00 1.02 0.00 0.00 30.24 29.27 1uhz n GLN 82 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1uhz h ASP 83 N 0.00 -1.87 -0.43 1.08 3.58 0.72 0.21 116.42 119.72 1uhz h ASP 83 Ca 0.13 0.28 0.08 0.00 0.42 0.00 0.00 57.03 57.93 1uhz h ASP 83 Cb 0.33 0.81 -0.07 0.00 1.72 0.00 0.00 39.33 42.12 1uhz h ASP 83 CO -0.75 -0.33 0.00 0.28 -2.88 0.00 0.00 179.24 175.56 1uhz h SER 84 N -0.21 -0.18 -1.93 2.28 0.02 0.21 -3.47 113.55 110.27 1uhz h SER 84 Ca 0.14 0.10 0.36 0.00 -0.84 0.00 0.00 61.79 61.55 1uhz h SER 84 Cb 0.53 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.18 1uhz h SER 84 CO -0.75 -0.05 0.91 0.61 -1.14 0.00 0.00 176.83 176.41 1uhz n GLY 85 N -1.29 0.16 3.80 -3.77 0.00 0.26 -5.09 105.19 99.26 1uhz n GLY 85 Ca 0.04 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1uhz n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uhz s PRO 86 N -2.01 1.76 -0.29 1.61 0.04 -1.26 -2.81 135.00 132.05 1uhz s PRO 86 Ca 0.30 0.52 -0.19 0.00 0.04 0.00 0.00 61.00 61.66 1uhz s PRO 86 Cb -0.00 -1.89 0.18 0.00 0.04 0.00 0.00 34.50 32.82 1uhz s PRO 86 CO -0.02 -1.81 1.20 -1.54 0.04 0.00 0.00 177.00 174.87 1uhz s SER 87 N -3.95 -0.22 0.54 6.66 1.04 -1.26 -4.91 113.70 111.59 1uhz s SER 87 Ca 0.62 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1uhz s SER 87 Cb -0.14 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1uhz s SER 87 CO 0.54 -0.06 0.00 -1.20 0.98 0.00 0.00 173.24 173.50 1uhz n SER 88 N 2.80 -8.57 0.00 7.02 7.64 -1.26 -5.05 113.62 116.20 1uhz n SER 88 Ca -0.15 1.18 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1uhz n SER 88 Cb 0.57 -4.86 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 1uhz n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64