#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 -0.67 -0.35 1.61 0.01 -1.26 -5.09 113.70 107.95 1uhz s SER 2 Ca 0.00 -0.78 -0.05 0.00 1.31 0.00 0.00 55.95 56.42 1uhz s SER 2 Cb 0.00 0.88 0.19 0.00 0.21 0.00 0.00 66.02 67.30 1uhz s SER 2 CO 0.00 -0.03 0.99 -0.55 0.41 0.00 0.00 173.24 174.06 1uhz s SER 3 N 0.98 -0.54 0.00 2.44 0.15 -1.26 -5.14 113.70 110.34 1uhz s SER 3 Ca 0.25 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1uhz s SER 3 Cb 0.08 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1uhz s SER 3 CO -0.09 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1uhz n GLY 4 N 3.44 0.32 3.71 9.45 0.00 -1.26 -5.17 105.19 115.69 1uhz n GLY 4 Ca 0.09 0.69 -0.30 0.00 0.00 0.00 0.00 46.02 46.50 1uhz n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uhz s SER 5 N 0.00 3.38 0.56 1.61 0.01 -1.26 -4.84 113.70 113.16 1uhz s SER 5 Ca 0.00 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1uhz s SER 5 Cb 0.00 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1uhz s SER 5 CO 0.00 -2.69 0.00 -1.20 0.41 0.00 0.00 173.24 169.76 1uhz n SER 6 N -3.92 -7.46 0.00 2.44 7.64 -1.26 -5.09 113.62 105.97 1uhz n SER 6 Ca 0.07 1.53 0.00 0.00 1.01 0.00 0.00 58.87 61.48 1uhz n SER 6 Cb 0.55 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 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 -3.36 3.79 0.13 0.23 0.00 -1.26 -4.93 105.19 99.79 1uhz n GLY 7 Ca -0.05 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 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 0.14 0.00 1.61 0.13 -1.97 -2.74 132.00 129.17 1uhz h PRO 8 Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1uhz h PRO 8 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1uhz h PRO 8 CO 0.00 0.85 0.00 -0.89 -0.23 0.00 0.00 178.00 177.73 1uhz n ILE 9 N -3.69 0.00 -0.34 -3.56 2.08 -1.26 -1.43 119.36 111.15 1uhz n ILE 9 Ca -0.02 1.10 -0.03 0.00 0.56 0.00 0.00 62.75 64.35 1uhz n ILE 9 Cb 0.75 -2.03 0.01 0.00 -0.75 0.00 0.00 39.64 37.62 1uhz n ILE 9 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1uhz h SER 10 N 0.00 -1.47 -0.85 4.38 0.02 -1.92 1.06 113.55 114.77 1uhz h SER 10 Ca 0.00 0.29 0.21 0.00 -0.84 0.00 0.00 61.79 61.45 1uhz h SER 10 Cb 0.00 0.74 -0.12 0.00 0.14 0.00 0.00 62.40 63.16 1uhz h SER 10 CO 0.00 -0.29 0.30 -0.09 -1.14 0.00 0.00 176.83 175.61 1uhz h ARG 11 N -0.05 0.31 -0.02 3.45 2.43 -1.55 1.50 114.38 120.46 1uhz h ARG 11 Ca 0.29 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1uhz h ARG 11 Cb 0.57 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1uhz h ARG 11 CO -0.91 0.21 -0.00 1.25 -1.51 0.00 0.00 179.97 179.01 1uhz h LEU 12 N 0.32 0.03 -0.80 3.80 6.46 0.21 -1.85 115.31 123.48 1uhz h LEU 12 Ca 0.52 -0.38 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1uhz h LEU 12 Cb 0.97 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.83 1uhz h LEU 12 CO -0.55 0.40 0.48 0.00 -0.62 0.00 0.00 178.44 178.15 1uhz h ALA 13 N 0.63 1.10 0.00 1.25 0.00 0.22 0.20 119.26 122.66 1uhz h ALA 13 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1uhz h ALA 13 Cb 0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1uhz h ALA 13 CO 0.00 0.20 -0.08 1.96 0.00 0.00 0.00 179.25 181.33 1uhz h GLN 14 N 0.88 0.00 0.10 0.00 4.20 0.21 0.06 115.11 120.57 1uhz h GLN 14 Ca 0.35 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.80 1uhz h GLN 14 Cb 0.19 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.97 1uhz h GLN 14 CO -0.18 0.08 -1.18 0.82 -0.67 0.00 0.00 178.83 177.70 1uhz h ILE 15 N 0.00 1.44 -0.33 2.54 2.04 0.12 0.13 117.51 123.45 1uhz h ILE 15 Ca -0.00 -2.83 -0.10 0.00 1.00 0.00 0.00 64.86 62.93 1uhz h ILE 15 Cb 0.15 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 1uhz h ILE 15 CO 0.01 0.83 -0.20 1.56 0.00 0.00 0.00 178.15 180.36 1uhz h GLN 16 N 0.13 0.63 0.14 2.37 1.08 0.41 0.25 115.11 120.12 1uhz h GLN 16 Ca -0.13 -0.23 -0.23 0.00 -1.45 0.00 0.00 58.65 56.61 1uhz h GLN 16 Cb 1.88 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 29.28 1uhz h GLN 16 CO 0.20 0.79 -1.08 -0.56 -0.95 0.00 0.00 178.83 177.23 1uhz h GLN 17 N 0.56 0.30 0.00 1.46 3.07 -1.06 -2.28 115.11 117.17 1uhz h GLN 17 Ca 0.09 -0.52 -0.04 0.00 0.09 0.00 0.00 58.65 58.27 1uhz h GLN 17 Cb 0.65 0.19 -0.01 0.00 0.08 0.00 0.00 27.48 28.40 1uhz h GLN 17 CO 0.05 1.25 -0.18 0.00 0.09 0.00 0.00 178.83 180.03 1uhz h ALA 18 N 0.04 1.68 0.00 0.06 0.00 -0.70 -0.32 119.26 120.03 1uhz h ALA 18 Ca -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1uhz h ALA 18 Cb 1.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1uhz h ALA 18 CO 0.13 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1uhz h ARG 19 N 0.00 0.00 -1.17 0.00 3.08 -0.56 -3.47 114.38 112.26 1uhz h ARG 19 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 1uhz h ARG 19 Cb 0.32 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 1uhz h ARG 19 CO 0.02 0.00 -0.27 1.63 -1.07 0.00 0.00 179.97 180.28 1uhz n LYS 20 N -3.06 -0.92 0.00 0.04 5.02 -0.13 -4.93 118.16 114.18 1uhz n LYS 20 Ca 0.04 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1uhz n LYS 20 Cb 0.51 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 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 -2.41 0.00 0.00 1.97 -0.58 -0.88 -5.04 120.64 113.70 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 0.51 -0.35 0.00 0.00 -0.57 0.00 0.00 31.44 31.02 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 -1.50 0.00 -0.99 3.49 3.00 -1.14 -5.05 118.16 115.97 1uhz n LYS 22 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1uhz n LYS 22 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 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 -0.23 -0.04 -2.54 1.64 1.02 -1.26 -4.72 120.64 114.51 1uhz n GLU 23 Ca 0.00 -0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 1uhz n GLU 23 Cb 0.00 -1.16 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.23 4.05 -0.40 3.49 0.04 -1.26 -4.85 135.00 133.84 1uhz s PRO 24 Ca 0.44 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 1uhz s PRO 24 Cb -0.21 -2.40 0.08 0.00 0.04 0.00 0.00 34.50 32.01 1uhz s PRO 24 CO 0.79 -0.24 0.20 0.34 0.04 0.00 0.00 177.00 178.13 1uhz s ASP 25 N -1.68 5.39 0.08 6.66 -1.08 0.86 -4.91 116.67 121.98 1uhz s ASP 25 Ca 0.61 -1.64 -0.21 0.00 -0.52 0.00 0.00 52.55 50.79 1uhz s ASP 25 Cb -0.20 -1.89 -0.07 0.00 -1.46 0.00 0.00 42.92 39.30 1uhz s ASP 25 CO 0.25 -0.50 0.63 -0.31 0.52 0.00 0.00 175.17 175.77 1uhz s TYR 26 N 1.31 3.80 -0.04 -5.34 2.02 -1.26 0.44 117.35 118.28 1uhz s TYR 26 Ca 0.03 1.35 0.01 0.00 -0.37 0.00 0.00 57.07 58.09 1uhz s TYR 26 Cb -0.22 -2.59 0.02 0.00 -0.40 0.00 0.00 41.96 38.76 1uhz s TYR 26 CO -0.00 0.52 -0.05 0.42 -1.57 0.00 0.00 175.55 174.86 1uhz s ILE 27 N -0.90 0.55 -0.43 2.71 1.09 0.89 -4.96 121.20 120.15 1uhz s ILE 27 Ca 0.31 -0.15 -0.29 0.00 -1.10 0.00 0.00 60.65 59.42 1uhz s ILE 27 Cb -0.20 -0.56 0.02 0.00 -1.06 0.00 0.00 42.46 40.66 1uhz s ILE 27 CO 0.20 0.22 1.21 -0.22 -0.10 0.00 0.00 174.94 176.25 1uhz s LEU 28 N 0.76 3.67 -0.01 2.97 1.98 -1.26 0.62 118.68 127.42 1uhz s LEU 28 Ca -0.10 0.67 -0.17 0.00 -2.89 0.00 0.00 54.13 51.64 1uhz s LEU 28 Cb -0.13 -3.55 -0.09 0.00 0.66 0.00 0.00 46.19 43.08 1uhz s LEU 28 CO 0.00 -1.25 0.83 -0.07 -1.89 0.00 0.00 176.35 173.98 1uhz h LEU 29 N 11.32 -0.52 -7.75 -0.68 3.38 -1.36 -3.48 115.31 116.22 1uhz h LEU 29 Ca -0.24 0.02 0.23 0.00 0.09 0.00 0.00 57.88 57.97 1uhz h LEU 29 Cb 1.07 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1uhz h LEU 29 CO 1.10 -0.21 0.66 -0.55 0.09 0.00 0.00 178.44 179.54 1uhz s SER 30 N -4.16 -0.05 -0.04 -0.43 0.15 -1.13 -5.01 113.70 103.04 1uhz s SER 30 Ca -0.09 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.09 1uhz s SER 30 Cb 0.01 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 1uhz s SER 30 CO 0.27 -0.73 0.10 -1.83 1.20 0.00 0.00 173.24 172.25 1uhz s GLU 31 N -2.44 0.11 0.00 5.44 1.03 -1.26 -0.13 118.70 121.44 1uhz s GLU 31 Ca 0.19 0.14 0.00 0.00 0.03 0.00 0.00 54.97 55.34 1uhz s GLU 31 Cb -0.01 0.04 0.00 0.00 -0.80 0.00 0.00 34.13 33.36 1uhz s GLU 31 CO 0.02 -0.02 0.00 2.89 -1.33 0.00 0.00 175.26 176.82 1uhz n ARG 32 N 3.10 -1.75 0.00 -4.83 1.85 0.92 -5.01 116.66 110.95 1uhz n ARG 32 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1uhz n ARG 32 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 1uhz n ARG 32 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1uhz n GLY 33 N -0.02 2.64 3.24 2.89 0.00 -1.26 0.20 105.19 112.88 1uhz n GLY 33 Ca 0.00 -1.96 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 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 0.51 -0.07 0.17 1.61 2.81 -1.26 -4.58 117.12 116.30 1uhz n MET 34 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1uhz n MET 34 Cb 0.00 -1.43 0.23 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.07 0.00 -0.32 0.03 0.13 -1.98 -1.26 132.00 127.53 1uhz h PRO 35 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 1uhz h PRO 35 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1uhz h PRO 35 CO 0.31 0.42 -0.40 0.00 -0.23 0.00 0.00 178.00 178.10 1uhz h ARG 36 N 0.00 0.77 -1.94 0.86 2.47 -2.03 -3.38 114.38 111.14 1uhz h ARG 36 Ca -0.00 -0.41 -0.51 0.00 -1.26 0.00 0.00 59.98 57.80 1uhz h ARG 36 Cb 1.08 0.01 -0.35 0.00 -1.65 0.00 0.00 29.97 29.06 1uhz h ARG 36 CO 0.06 1.03 -0.94 0.54 0.56 0.00 0.00 179.97 181.21 1uhz n ARG 37 N -4.04 0.44 -0.73 0.04 5.12 -1.18 -5.13 116.66 111.18 1uhz n ARG 37 Ca -0.02 -2.98 -0.32 0.00 -1.93 0.00 0.00 57.85 52.60 1uhz n ARG 37 Cb 0.54 -1.48 0.15 0.00 -1.16 0.00 0.00 32.46 30.51 1uhz n ARG 37 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1uhz n ARG 38 N 2.27 -0.65 -3.83 5.56 5.12 -0.48 -4.17 116.66 120.48 1uhz n ARG 38 Ca 0.24 -0.15 -0.22 0.00 -1.93 0.00 0.00 57.85 55.80 1uhz n ARG 38 Cb 0.52 -1.95 -0.17 0.00 -1.16 0.00 0.00 32.46 29.69 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 -3.85 0.56 -0.17 5.56 2.12 0.53 -3.90 118.70 119.56 1uhz s GLU 39 Ca 0.59 0.09 0.01 0.00 0.36 0.00 0.00 54.97 56.02 1uhz s GLU 39 Cb -0.20 -0.88 0.01 0.00 0.26 0.00 0.00 34.13 33.32 1uhz s GLU 39 CO 0.65 -0.26 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.88 1uhz s PHE 40 N 1.75 2.78 -0.26 5.30 0.40 -0.95 -0.05 117.98 126.95 1uhz s PHE 40 Ca 0.01 -1.29 -0.20 0.00 -0.60 0.00 0.00 56.93 54.85 1uhz s PHE 40 Cb -0.13 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 1uhz s PHE 40 CO -0.04 -0.62 0.63 0.08 0.70 0.00 0.00 175.22 175.97 1uhz s VAL 41 N 1.05 4.98 0.02 -0.44 1.01 0.81 -3.28 120.40 124.54 1uhz s VAL 41 Ca -0.01 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.16 1uhz s VAL 41 Cb -0.14 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1uhz s VAL 41 CO -0.05 0.01 -0.19 -0.32 0.00 0.00 0.00 175.10 174.55 1uhz s MET 42 N 2.52 2.15 0.18 2.72 1.75 0.12 -0.93 119.30 127.81 1uhz s MET 42 Ca 0.26 -0.92 0.11 0.00 -1.25 0.00 0.00 55.69 53.89 1uhz s MET 42 Cb -0.15 -2.20 -0.04 0.00 2.84 0.00 0.00 34.83 35.28 1uhz s MET 42 CO 0.09 0.56 -0.23 -1.14 -0.65 0.00 0.00 175.02 173.65 1uhz s GLN 43 N -1.19 1.57 -0.02 4.11 0.74 0.20 0.15 119.66 125.24 1uhz s GLN 43 Ca 0.13 -1.46 0.00 0.00 0.05 0.00 0.00 55.36 54.09 1uhz s GLN 43 Cb -0.10 -1.90 0.02 0.00 1.10 0.00 0.00 33.01 32.13 1uhz s GLN 43 CO 0.03 0.41 0.01 0.54 -0.55 0.00 0.00 175.29 175.74 1uhz s VAL 44 N -1.56 0.08 -0.16 1.34 0.11 0.13 -0.07 120.40 120.26 1uhz s VAL 44 Ca 0.20 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 1uhz s VAL 44 Cb -0.08 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.63 1uhz s VAL 44 CO 0.10 0.10 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.05 1uhz s LYS 45 N 0.77 2.62 -0.22 1.54 2.20 0.17 0.32 119.74 127.13 1uhz s LYS 45 Ca -0.07 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1uhz s LYS 45 Cb -0.10 -2.32 0.06 0.00 -1.51 0.00 0.00 37.83 33.96 1uhz s LYS 45 CO -0.02 -0.23 -0.02 0.08 -0.36 0.00 0.00 175.35 174.81 1uhz s VAL 46 N 1.40 1.13 0.00 4.02 1.01 0.11 -0.10 120.40 127.96 1uhz s VAL 46 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1uhz s VAL 46 Cb -0.13 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1uhz s VAL 46 CO -0.12 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1uhz n GLY 47 N 4.82 1.13 0.89 4.51 0.00 -1.26 0.23 105.19 115.51 1uhz n GLY 47 Ca -0.11 0.47 0.03 0.00 0.00 0.00 0.00 46.02 46.41 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 10.72 2.91 -4.29 1.61 5.15 -1.26 -4.99 115.26 125.10 1uhz n ASN 48 Ca 0.00 -3.43 -0.19 0.00 -0.60 0.00 0.00 54.58 50.36 1uhz n ASN 48 Cb 0.00 -0.57 -0.11 0.00 -0.53 0.00 0.00 39.78 38.57 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 -3.05 1.17 0.03 1.20 8.01 0.14 -5.16 118.70 121.04 1uhz s GLU 49 Ca 0.42 -1.38 -0.04 0.00 0.01 0.00 0.00 54.97 53.97 1uhz s GLU 49 Cb 0.36 -1.06 -0.01 0.00 -4.31 0.00 0.00 34.13 29.11 1uhz s GLU 49 CO 0.03 0.20 0.06 0.54 0.01 0.00 0.00 175.26 176.10 1uhz s VAL 50 N -2.38 0.13 0.26 2.63 0.11 -1.26 0.04 120.40 119.94 1uhz s VAL 50 Ca 0.15 -1.10 -0.11 0.00 -2.93 0.00 0.00 61.98 57.99 1uhz s VAL 50 Cb -0.04 -0.80 -0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1uhz s VAL 50 CO 0.05 -0.61 0.46 0.00 -3.33 0.00 0.00 175.10 171.67 1uhz s ALA 51 N -2.42 -0.01 0.04 1.54 0.00 0.15 -4.88 121.76 116.19 1uhz s ALA 51 Ca -0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1uhz s ALA 51 Cb -0.02 1.09 -0.02 0.00 0.00 0.00 0.00 23.12 24.17 1uhz s ALA 51 CO -0.04 -0.83 0.05 0.95 0.00 0.00 0.00 175.76 175.89 1uhz s THR 52 N -3.84 0.16 -0.15 0.00 -4.23 -1.26 0.19 115.64 106.52 1uhz s THR 52 Ca 0.25 -1.29 -0.13 0.00 -1.18 0.00 0.00 61.69 59.33 1uhz s THR 52 Cb -0.00 -1.03 0.04 0.00 1.34 0.00 0.00 72.50 72.85 1uhz s THR 52 CO 0.11 -0.71 0.39 -0.83 -0.54 0.00 0.00 174.62 173.04 1uhz s GLY 53 N -2.33 -0.29 0.09 3.99 0.00 0.12 -4.14 107.32 104.76 1uhz s GLY 53 Ca -0.02 1.11 0.06 0.00 0.00 0.00 0.00 44.72 45.87 1uhz s GLY 53 CO -0.06 0.97 -0.17 -0.51 0.00 0.00 0.00 173.10 173.33 1uhz s THR 54 N 0.24 1.38 0.00 0.90 -4.23 -1.25 0.13 115.64 112.81 1uhz s THR 54 Ca -0.00 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1uhz s THR 54 Cb -0.03 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1uhz s THR 54 CO 0.00 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1uhz n GLY 55 N 1.04 1.91 0.24 3.99 0.00 -1.20 -4.60 105.19 106.56 1uhz n GLY 55 Ca -0.19 -0.86 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 -3.38 1.61 0.13 -1.92 -2.52 132.00 125.92 1uhz h PRO 56 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1uhz h PRO 56 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 1uhz h PRO 56 CO 0.00 0.07 -0.30 0.54 -0.23 0.00 0.00 178.00 178.08 1uhz s ASN 57 N -6.02 -0.07 0.20 1.44 4.22 -1.26 -4.26 114.94 109.18 1uhz s ASN 57 Ca 0.04 -0.24 -0.18 0.00 -2.14 0.00 0.00 52.86 50.33 1uhz s ASN 57 Cb 0.07 0.33 0.17 0.00 1.28 0.00 0.00 41.25 43.11 1uhz s ASN 57 CO 0.62 -0.59 1.60 0.50 -2.04 0.00 0.00 177.10 177.19 1uhz h LYS 58 N 3.32 -0.11 -0.18 3.55 3.64 -1.87 0.38 116.57 125.29 1uhz h LYS 58 Ca -0.32 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1uhz h LYS 58 Cb 1.20 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 1uhz h LYS 58 CO 0.46 -0.07 -0.11 1.63 -2.27 0.00 0.00 179.45 179.09 1uhz n LYS 59 N -5.44 -0.08 -0.32 1.90 4.01 -1.26 0.98 118.16 117.94 1uhz n LYS 59 Ca 0.06 1.07 0.09 0.00 -0.51 0.00 0.00 58.31 59.01 1uhz n LYS 59 Cb 0.36 -1.59 0.29 0.00 -0.51 0.00 0.00 35.03 33.58 1uhz n LYS 59 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1uhz h ILE 60 N 0.00 0.90 -0.15 -0.18 2.04 -1.71 -0.96 117.51 117.45 1uhz h ILE 60 Ca 0.03 -0.30 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1uhz h ILE 60 Cb 0.08 -0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.03 1uhz h ILE 60 CO -0.17 0.16 -0.29 0.00 0.00 0.00 0.00 178.15 177.85 1uhz h ALA 61 N 1.56 -0.30 -0.44 1.87 0.00 0.49 0.41 119.26 122.86 1uhz h ALA 61 Ca 0.47 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.46 1uhz h ALA 61 Cb 0.56 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1uhz h ALA 61 CO -0.23 -0.75 0.19 -0.22 0.00 0.00 0.00 179.25 178.24 1uhz h LYS 62 N -0.35 0.38 -0.94 0.00 3.64 0.16 0.39 116.57 119.85 1uhz h LYS 62 Ca 0.10 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1uhz h LYS 62 Cb 0.51 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 1uhz h LYS 62 CO -0.35 0.25 0.56 0.87 -2.27 0.00 0.00 179.45 178.51 1uhz h LYS 63 N 0.39 0.84 0.00 1.90 1.57 -0.09 0.59 116.57 121.77 1uhz h LYS 63 Ca 0.20 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1uhz h LYS 63 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1uhz h LYS 63 CO -0.17 0.55 -0.28 -0.91 -0.57 0.00 0.00 179.45 178.08 1uhz h ASN 64 N 0.86 0.00 0.13 0.86 2.35 0.13 -2.58 115.58 117.34 1uhz h ASN 64 Ca 0.48 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 1uhz h ASN 64 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1uhz h ASN 64 CO -0.29 0.28 -0.06 0.00 -1.65 0.00 0.00 177.43 175.71 1uhz h ALA 65 N 1.72 -0.18 -0.90 -0.83 0.00 0.43 -2.59 119.26 116.90 1uhz h ALA 65 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uhz h ALA 65 Cb 0.93 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1uhz h ALA 65 CO 0.04 -0.46 0.54 0.00 0.00 0.00 0.00 179.25 179.37 1uhz h ALA 66 N 0.34 1.15 -0.39 0.00 0.00 -1.08 -1.92 119.26 117.36 1uhz h ALA 66 Ca -0.02 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1uhz h ALA 66 Cb 0.38 -0.36 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 1uhz h ALA 66 CO 0.03 0.61 -0.33 1.49 0.00 0.00 0.00 179.25 181.05 1uhz h GLU 67 N 1.25 -0.25 -0.87 0.00 4.81 -1.31 0.98 114.58 119.19 1uhz h GLU 67 Ca 0.32 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1uhz h GLU 67 Cb -0.05 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1uhz h GLU 67 CO -0.06 -0.17 0.55 0.00 -0.73 0.00 0.00 179.01 178.60 1uhz h ALA 68 N 0.73 1.10 -0.80 2.92 0.00 -1.12 0.28 119.26 122.37 1uhz h ALA 68 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uhz h ALA 68 Cb 0.54 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1uhz h ALA 68 CO -0.54 0.53 0.50 1.98 0.00 0.00 0.00 179.25 181.72 1uhz h MET 69 N 1.18 1.08 -0.01 0.00 1.85 0.01 0.35 114.93 119.37 1uhz h MET 69 Ca 0.31 -0.09 -0.14 0.00 -0.61 0.00 0.00 59.70 59.18 1uhz h MET 69 Cb -0.10 -0.23 -0.02 0.00 0.43 0.00 0.00 31.60 31.69 1uhz h MET 69 CO -0.06 0.74 -0.63 -0.07 -0.40 0.00 0.00 176.91 176.49 1uhz h LEU 70 N 1.09 0.07 -0.32 3.39 3.38 0.16 -0.91 115.31 122.16 1uhz h LEU 70 Ca 0.29 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 1uhz h LEU 70 Cb -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1uhz h LEU 70 CO -0.06 0.68 -0.36 -0.07 0.09 0.00 0.00 178.44 178.73 1uhz h LEU 71 N 0.04 0.87 -0.56 1.67 3.38 0.49 0.31 115.31 121.51 1uhz h LEU 71 Ca -0.01 -0.48 -0.14 0.00 0.09 0.00 0.00 57.88 57.34 1uhz h LEU 71 Cb 1.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1uhz h LEU 71 CO 0.09 1.17 -0.34 0.06 0.09 0.00 0.00 178.44 179.51 1uhz h GLN 72 N 0.58 0.78 -0.25 1.13 3.07 -0.22 -2.73 115.11 117.48 1uhz h GLN 72 Ca 0.05 -0.38 -0.05 0.00 0.09 0.00 0.00 58.65 58.36 1uhz h GLN 72 Cb 0.95 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.49 1uhz h GLN 72 CO 0.09 1.01 -0.06 -0.07 0.09 0.00 0.00 178.83 179.88 1uhz h LEU 73 N 0.65 0.36 0.00 0.06 4.07 -1.07 -3.46 115.31 115.92 1uhz h LEU 73 Ca 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1uhz h LEU 73 Cb 0.89 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1uhz h LEU 73 CO 0.08 0.47 0.00 0.61 -1.08 0.00 0.00 178.44 178.52 1uhz n GLY 74 N -0.88 1.39 0.00 0.83 0.00 -0.65 -5.01 105.19 100.87 1uhz n GLY 74 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.33 0.00 -2.15 1.61 4.02 0.10 -4.50 117.16 115.91 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 -0.13 0.01 0.00 -0.02 0.00 0.00 39.34 39.20 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 -1.60 0.00 -0.04 -0.72 4.76 -1.19 -4.87 118.16 114.50 1uhz n LYS 76 Ca 0.01 -1.29 -0.11 0.00 -2.87 0.00 0.00 58.31 54.05 1uhz n LYS 76 Cb 0.29 -0.35 -0.09 0.00 -1.84 0.00 0.00 35.03 33.04 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 0.30 -0.04 -0.76 7.82 0.00 -1.79 -2.51 119.26 122.28 1uhz h ALA 77 Ca -0.07 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1uhz h ALA 77 Cb 1.55 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 1uhz h ALA 77 CO 0.03 -0.07 -0.48 0.77 0.00 0.00 0.00 179.25 179.49 1uhz h SER 78 N -0.94 -1.75 0.07 0.00 0.02 -1.89 0.23 113.55 109.30 1uhz h SER 78 Ca -0.00 0.26 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1uhz h SER 78 Cb 0.68 0.77 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 1uhz h SER 78 CO 0.01 -0.21 -0.16 0.74 -1.14 0.00 0.00 176.83 176.07 1uhz h THR 79 N -0.04 0.63 -0.49 -2.27 2.02 -1.93 -1.69 112.91 109.13 1uhz h THR 79 Ca 0.12 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.35 1uhz h THR 79 Cb 0.35 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 1uhz h THR 79 CO -0.74 0.00 -0.33 -1.28 0.37 0.00 0.00 175.52 173.54 1uhz h SER 80 N -0.30 -1.19 -0.11 4.18 0.87 -0.49 0.55 113.55 117.06 1uhz h SER 80 Ca 0.03 0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1uhz h SER 80 Cb 0.33 0.52 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 1uhz h SER 80 CO -0.10 -0.15 -0.37 0.25 -0.53 0.00 0.00 176.83 175.93 1uhz h LEU 81 N -0.05 -1.18 -0.83 2.23 6.46 -0.51 -1.37 115.31 120.06 1uhz h LEU 81 Ca 0.08 0.14 0.08 0.00 -0.12 0.00 0.00 57.88 58.06 1uhz h LEU 81 Cb 0.25 0.46 -0.10 0.00 -0.73 0.00 0.00 40.66 40.55 1uhz h LEU 81 CO -0.49 -0.32 -0.49 0.00 -0.62 0.00 0.00 178.44 176.51 1uhz n GLN 82 N -4.51 -0.37 -0.38 1.25 6.02 -0.53 -0.10 117.38 118.77 1uhz n GLN 82 Ca -0.04 1.42 -0.06 0.00 -0.01 0.00 0.00 57.00 58.32 1uhz n GLN 82 Cb 0.25 -2.10 -0.02 0.00 1.02 0.00 0.00 30.24 29.40 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 -1.73 -0.35 1.08 1.82 0.66 0.74 116.42 118.64 1uhz h ASP 83 Ca 0.13 0.31 0.07 0.00 -0.39 0.00 0.00 57.03 57.16 1uhz h ASP 83 Cb 0.34 0.83 -0.07 0.00 0.68 0.00 0.00 39.33 41.11 1uhz h ASP 83 CO -0.78 -0.27 -0.09 -1.28 -1.61 0.00 0.00 179.24 175.21 1uhz h SER 84 N -0.02 -0.32 -2.09 2.28 0.87 0.59 -3.38 113.55 111.48 1uhz h SER 84 Ca 0.26 0.10 -0.34 0.00 -1.23 0.00 0.00 61.79 60.59 1uhz h SER 84 Cb 0.52 0.22 -0.33 0.00 -0.44 0.00 0.00 62.40 62.37 1uhz h SER 84 CO -0.94 -0.11 -0.65 -0.83 -0.53 0.00 0.00 176.83 173.77 1uhz s GLY 85 N -2.91 -0.11 -0.07 5.77 0.00 0.20 -5.03 107.32 105.17 1uhz s GLY 85 Ca -0.14 -0.49 -0.15 0.00 0.00 0.00 0.00 44.72 43.94 1uhz s GLY 85 CO 0.70 2.68 0.59 -0.56 0.00 0.00 0.00 173.10 176.51 1uhz h PRO 86 N 7.94 -0.22 -6.21 2.90 0.13 -0.13 -3.37 132.00 133.04 1uhz h PRO 86 Ca -0.08 0.02 -0.27 0.00 -0.87 0.00 0.00 66.00 64.80 1uhz h PRO 86 Cb 1.07 0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.26 1uhz h PRO 86 CO 0.30 0.09 -1.03 0.45 -0.23 0.00 0.00 178.00 177.58 1uhz n SER 87 N -4.92 -6.21 -4.46 1.44 2.88 -1.26 -4.96 113.62 96.13 1uhz n SER 87 Ca -0.06 0.08 -0.33 0.00 -1.33 0.00 0.00 58.87 57.23 1uhz n SER 87 Cb 0.21 -2.63 -0.13 0.00 -0.75 0.00 0.00 64.21 60.92 1uhz n SER 87 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uhz s SER 88 N -1.71 4.39 0.00 -3.46 0.01 -1.26 -5.22 113.70 106.45 1uhz s SER 88 Ca 0.32 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1uhz s SER 88 Cb -0.04 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.67 1uhz s SER 88 CO 0.80 0.22 0.00 0.61 0.41 0.00 0.00 173.24 175.27