#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 0.53 -0.23 1.61 0.15 -1.26 -5.12 113.70 109.37 1uhz s SER 2 Ca 0.00 -1.47 -0.28 0.00 0.70 0.00 0.00 55.95 54.90 1uhz s SER 2 Cb 0.00 0.87 0.14 0.00 -1.71 0.00 0.00 66.02 65.32 1uhz s SER 2 CO 0.00 -0.23 1.12 -0.55 1.20 0.00 0.00 173.24 174.78 1uhz s SER 3 N 1.45 -0.30 -0.30 5.45 0.15 -1.26 -5.16 113.70 113.73 1uhz s SER 3 Ca 0.18 0.44 -0.15 0.00 0.70 0.00 0.00 55.95 57.12 1uhz s SER 3 Cb -0.12 0.40 0.17 0.00 -1.71 0.00 0.00 66.02 64.76 1uhz s SER 3 CO -0.04 -0.20 1.00 -0.83 1.20 0.00 0.00 173.24 174.38 1uhz s GLY 4 N -0.55 -0.21 -0.09 9.45 0.00 -1.26 -5.03 107.32 109.64 1uhz s GLY 4 Ca 0.03 3.01 0.02 0.00 0.00 0.00 0.00 44.72 47.78 1uhz s GLY 4 CO -0.04 3.33 -0.12 -0.45 0.00 0.00 0.00 173.10 175.81 1uhz s SER 5 N 2.50 2.03 -0.15 1.64 0.15 -1.26 -4.79 113.70 113.82 1uhz s SER 5 Ca -0.01 -0.33 -0.00 0.00 0.70 0.00 0.00 55.95 56.30 1uhz s SER 5 Cb -0.07 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 1uhz s SER 5 CO -0.17 0.00 0.01 -1.20 1.20 0.00 0.00 173.24 173.09 1uhz n SER 6 N 4.12 -7.27 -3.69 5.45 7.64 -1.26 -5.03 113.62 113.58 1uhz n SER 6 Ca -0.20 0.89 0.01 0.00 1.01 0.00 0.00 58.87 60.58 1uhz n SER 6 Cb 0.51 -3.38 0.01 0.00 -1.01 0.00 0.00 64.21 60.34 1uhz n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uhz s GLY 7 N -1.32 -0.19 0.21 0.23 0.00 -1.26 -5.03 107.32 99.97 1uhz s GLY 7 Ca 0.01 0.19 0.07 0.00 0.00 0.00 0.00 44.72 44.98 1uhz s GLY 7 CO 0.38 3.28 1.47 -0.56 0.00 0.00 0.00 173.10 177.67 1uhz h PRO 8 N 2.00 0.09 0.14 2.90 0.13 -1.96 -2.75 132.00 132.55 1uhz h PRO 8 Ca -0.26 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1uhz h PRO 8 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1uhz h PRO 8 CO 0.31 0.81 -0.07 0.82 -0.23 0.00 0.00 178.00 179.64 1uhz h ILE 9 N 0.05 0.00 -0.63 -3.56 1.08 -1.89 -2.23 117.51 110.34 1uhz h ILE 9 Ca -0.02 -0.03 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 1uhz h ILE 9 Cb 1.35 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.99 1uhz h ILE 9 CO 0.11 0.00 -0.36 0.28 -0.69 0.00 0.00 178.15 177.49 1uhz h SER 10 N -0.21 -1.24 -0.93 1.72 0.02 -1.87 0.45 113.55 111.49 1uhz h SER 10 Ca -0.02 0.24 0.26 0.00 -0.84 0.00 0.00 61.79 61.43 1uhz h SER 10 Cb 0.14 0.61 -0.16 0.00 0.14 0.00 0.00 62.40 63.13 1uhz h SER 10 CO 0.03 -0.31 0.17 -0.09 -1.14 0.00 0.00 176.83 175.49 1uhz h ARG 11 N -0.16 0.10 -0.09 3.45 2.43 -1.52 1.63 114.38 120.22 1uhz h ARG 11 Ca 0.23 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1uhz h ARG 11 Cb 0.56 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1uhz h ARG 11 CO -0.71 0.07 -0.06 1.25 -1.51 0.00 0.00 179.97 179.01 1uhz h LEU 12 N 0.10 0.21 -0.98 3.80 6.46 0.39 -2.17 115.31 123.13 1uhz h LEU 12 Ca 0.59 -0.43 0.07 0.00 -0.12 0.00 0.00 57.88 57.99 1uhz h LEU 12 Cb 1.25 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 41.05 1uhz h LEU 12 CO -0.77 0.60 0.62 0.00 -0.62 0.00 0.00 178.44 178.27 1uhz h ALA 13 N 0.62 1.38 0.00 1.25 0.00 0.28 0.31 119.26 123.09 1uhz h ALA 13 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1uhz h ALA 13 Cb 0.53 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1uhz h ALA 13 CO 0.02 0.37 -0.15 1.96 0.00 0.00 0.00 179.25 181.45 1uhz h GLN 14 N 1.11 0.00 0.07 0.00 4.20 0.22 -0.67 115.11 120.04 1uhz h GLN 14 Ca 0.43 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.88 1uhz h GLN 14 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1uhz h GLN 14 CO -0.19 0.15 -1.30 0.82 -0.67 0.00 0.00 178.83 177.64 1uhz h ILE 15 N 0.00 1.40 0.00 2.54 2.04 0.11 -0.07 117.51 123.53 1uhz h ILE 15 Ca -0.00 -3.06 -0.09 0.00 1.00 0.00 0.00 64.86 62.71 1uhz h ILE 15 Cb 0.36 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1uhz h ILE 15 CO 0.02 0.86 -0.42 1.56 0.00 0.00 0.00 178.15 180.16 1uhz h GLN 16 N 0.04 0.00 0.07 2.37 1.08 0.24 -0.36 115.11 118.55 1uhz h GLN 16 Ca -0.14 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.76 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 0.16 0.42 -1.59 -0.56 -0.95 0.00 0.00 178.83 176.31 1uhz h GLN 17 N 0.00 0.15 0.00 1.46 3.07 -1.19 -2.47 115.11 116.13 1uhz h GLN 17 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 58.65 58.45 1uhz h GLN 17 Cb 0.87 0.10 -0.00 0.00 0.08 0.00 0.00 27.48 28.52 1uhz h GLN 17 CO 0.06 1.13 -0.11 0.00 0.09 0.00 0.00 178.83 179.99 1uhz h ALA 18 N -0.18 1.77 0.00 0.06 0.00 -1.01 0.42 119.26 120.32 1uhz h ALA 18 Ca -0.37 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1uhz h ALA 18 Cb 1.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1uhz h ALA 18 CO -0.04 0.13 -0.15 0.00 0.00 0.00 0.00 179.25 179.19 1uhz h ARG 19 N 0.00 0.00 -1.76 0.00 3.08 -1.19 -3.47 114.38 111.04 1uhz h ARG 19 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1uhz h ARG 19 Cb 0.20 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1uhz h ARG 19 CO 0.01 0.00 -0.35 1.63 -1.07 0.00 0.00 179.97 180.19 1uhz n LYS 20 N -2.89 -1.13 0.00 0.04 5.02 0.14 -4.93 118.16 114.41 1uhz n LYS 20 Ca 0.04 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1uhz n LYS 20 Cb 0.52 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 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 -2.44 0.00 0.00 1.97 -0.58 -0.96 -5.04 120.64 113.59 1uhz n GLU 21 Ca -0.17 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1uhz n GLU 21 Cb 0.60 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 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 -1.81 0.00 -0.98 3.49 5.02 -1.06 -5.06 118.16 117.76 1uhz n LYS 22 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1uhz n LYS 22 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 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 -0.26 -0.04 -2.53 1.97 4.71 -1.26 -4.74 120.64 118.48 1uhz n GLU 23 Ca 0.00 -0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.79 1uhz n GLU 23 Cb 0.00 -1.11 -0.04 0.00 -1.01 0.00 0.00 31.44 29.28 1uhz n GLU 23 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1uhz s PRO 24 N -2.19 4.05 -0.40 3.49 0.04 -1.26 -4.87 135.00 133.85 1uhz s PRO 24 Ca 0.43 1.48 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 1uhz s PRO 24 Cb -0.19 -2.41 0.08 0.00 0.04 0.00 0.00 34.50 32.02 1uhz s PRO 24 CO 0.81 -0.24 0.22 0.34 0.04 0.00 0.00 177.00 178.17 1uhz s ASP 25 N -1.67 5.46 0.02 6.66 -1.08 0.84 -4.91 116.67 121.98 1uhz s ASP 25 Ca 0.61 -1.60 -0.22 0.00 -0.52 0.00 0.00 52.55 50.82 1uhz s ASP 25 Cb -0.21 -1.92 -0.06 0.00 -1.46 0.00 0.00 42.92 39.28 1uhz s ASP 25 CO 0.26 -0.51 0.64 -0.31 0.52 0.00 0.00 175.17 175.77 1uhz s TYR 26 N 1.34 3.71 -0.04 -5.34 2.02 -1.26 0.48 117.35 118.26 1uhz s TYR 26 Ca 0.03 1.28 0.03 0.00 -0.37 0.00 0.00 57.07 58.04 1uhz s TYR 26 Cb -0.23 -2.65 0.01 0.00 -0.40 0.00 0.00 41.96 38.69 1uhz s TYR 26 CO 0.00 0.35 -0.11 0.42 -1.57 0.00 0.00 175.55 174.64 1uhz s ILE 27 N -0.25 0.99 -0.43 2.71 1.09 0.91 -4.96 121.20 121.26 1uhz s ILE 27 Ca 0.33 -0.45 -0.27 0.00 -1.10 0.00 0.00 60.65 59.16 1uhz s ILE 27 Cb -0.19 -0.88 0.02 0.00 -1.06 0.00 0.00 42.46 40.35 1uhz s ILE 27 CO 0.19 0.31 1.04 -0.22 -0.10 0.00 0.00 174.94 176.15 1uhz s LEU 28 N 0.33 3.83 -0.00 2.97 1.98 -1.26 0.76 118.68 127.29 1uhz s LEU 28 Ca -0.07 0.48 -0.17 0.00 -2.89 0.00 0.00 54.13 51.48 1uhz s LEU 28 Cb -0.11 -3.41 -0.10 0.00 0.66 0.00 0.00 46.19 43.23 1uhz s LEU 28 CO 0.02 -1.08 0.86 -0.07 -1.89 0.00 0.00 176.35 174.19 1uhz h LEU 29 N 10.69 -0.53 0.00 -0.68 3.38 -1.63 -3.48 115.31 123.06 1uhz h LEU 29 Ca -0.23 0.02 0.14 0.00 0.09 0.00 0.00 57.88 57.90 1uhz h LEU 29 Cb 1.07 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1uhz h LEU 29 CO 1.06 -0.23 0.46 -0.24 0.09 0.00 0.00 178.44 179.58 1uhz n SER 30 N -4.54 -1.05 -3.70 -0.43 2.88 -1.19 -5.01 113.62 100.59 1uhz n SER 30 Ca -0.08 -1.48 -0.16 0.00 -1.33 0.00 0.00 58.87 55.83 1uhz n SER 30 Cb 0.25 1.69 -0.15 0.00 -0.75 0.00 0.00 64.21 65.25 1uhz n SER 30 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1uhz s GLU 31 N -2.03 0.06 0.00 -1.46 1.03 -1.26 -0.63 118.70 114.41 1uhz s GLU 31 Ca 0.17 0.50 0.00 0.00 0.03 0.00 0.00 54.97 55.67 1uhz s GLU 31 Cb -0.01 -0.23 0.00 0.00 -0.80 0.00 0.00 34.13 33.08 1uhz s GLU 31 CO 0.02 -0.26 0.00 2.89 -1.33 0.00 0.00 175.26 176.59 1uhz n ARG 32 N 4.93 0.00 -1.11 -4.83 1.85 0.12 -5.00 116.66 112.61 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 0.50 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.91 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 -0.06 0.37 2.74 2.89 0.00 -1.26 -3.16 105.19 106.70 1uhz n GLY 33 Ca 0.00 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 0.03 1.61 2.81 -1.26 -4.65 117.12 115.66 1uhz n MET 34 Ca 0.00 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 1uhz n MET 34 Cb 0.00 -0.89 -0.07 0.00 -0.71 0.00 0.00 33.22 31.55 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 -0.64 0.65 0.00 0.03 0.13 -2.00 -2.48 132.00 127.69 1uhz h PRO 35 Ca -0.38 -0.63 -0.25 0.00 -0.87 0.00 0.00 66.00 63.86 1uhz h PRO 35 Cb 1.20 0.16 -0.04 0.00 0.13 0.00 0.00 31.00 32.45 1uhz h PRO 35 CO 0.25 1.24 -1.80 0.54 -0.23 0.00 0.00 178.00 178.00 1uhz n ARG 36 N -3.86 0.51 -0.27 0.86 5.12 -1.26 -4.56 116.66 113.20 1uhz n ARG 36 Ca -0.09 0.22 -0.03 0.00 -1.93 0.00 0.00 57.85 56.02 1uhz n ARG 36 Cb 0.82 -1.38 0.09 0.00 -1.16 0.00 0.00 32.46 30.83 1uhz n ARG 36 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1uhz h ARG 37 N -0.91 0.90 -3.45 5.56 2.47 -1.95 -3.48 114.38 113.52 1uhz h ARG 37 Ca -0.38 -0.05 0.24 0.00 -1.26 0.00 0.00 59.98 58.52 1uhz h ARG 37 Cb 1.30 -0.20 -0.13 0.00 -1.65 0.00 0.00 29.97 29.28 1uhz h ARG 37 CO -0.23 0.60 -1.12 0.54 0.56 0.00 0.00 179.97 180.31 1uhz n ARG 38 N -4.63 -3.31 -3.75 0.04 5.12 -0.93 -4.60 116.66 104.60 1uhz n ARG 38 Ca 0.09 2.67 -0.13 0.00 -1.93 0.00 0.00 57.85 58.55 1uhz n ARG 38 Cb 0.09 -3.72 -0.11 0.00 -1.16 0.00 0.00 32.46 27.56 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 -4.67 0.40 0.12 5.56 -6.30 -1.19 -4.25 118.70 108.37 1uhz s GLU 39 Ca 0.00 0.51 0.08 0.00 -2.50 0.00 0.00 54.97 53.06 1uhz s GLU 39 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 34.13 34.26 1uhz s GLU 39 CO 0.00 -0.06 -0.20 -0.06 0.02 0.00 0.00 175.26 174.96 1uhz s PHE 40 N 0.32 1.81 -0.17 5.30 0.40 -0.57 0.16 117.98 125.22 1uhz s PHE 40 Ca -0.01 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.86 1uhz s PHE 40 Cb -0.03 -0.96 -0.02 0.00 0.51 0.00 0.00 43.02 42.52 1uhz s PHE 40 CO -0.01 0.25 -0.06 0.08 0.70 0.00 0.00 175.22 176.18 1uhz s VAL 41 N -1.45 3.48 0.06 -0.44 1.01 0.20 -3.19 120.40 120.07 1uhz s VAL 41 Ca 0.10 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1uhz s VAL 41 Cb -0.09 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1uhz s VAL 41 CO 0.05 0.47 -0.23 -0.32 0.00 0.00 0.00 175.10 175.07 1uhz s MET 42 N 0.78 1.47 0.15 2.72 1.75 0.12 -1.61 119.30 124.68 1uhz s MET 42 Ca -0.02 -1.06 0.09 0.00 -1.25 0.00 0.00 55.69 53.44 1uhz s MET 42 Cb -0.15 -1.66 -0.04 0.00 2.84 0.00 0.00 34.83 35.82 1uhz s MET 42 CO 0.02 0.42 -0.20 -1.14 -0.65 0.00 0.00 175.02 173.46 1uhz s GLN 43 N -1.39 1.29 -0.02 4.11 0.74 0.23 0.21 119.66 124.83 1uhz s GLN 43 Ca 0.09 -1.37 0.00 0.00 0.05 0.00 0.00 55.36 54.14 1uhz s GLN 43 Cb -0.09 -1.45 0.02 0.00 1.10 0.00 0.00 33.01 32.58 1uhz s GLN 43 CO 0.03 0.31 0.00 0.54 -0.55 0.00 0.00 175.29 175.62 1uhz s VAL 44 N -1.75 0.12 -0.16 1.34 0.11 0.13 -0.06 120.40 120.13 1uhz s VAL 44 Ca 0.14 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1uhz s VAL 44 Cb -0.07 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1uhz s VAL 44 CO 0.07 0.10 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.02 1uhz s LYS 45 N 0.68 2.61 -0.21 1.54 2.20 0.18 0.29 119.74 127.03 1uhz s LYS 45 Ca -0.06 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 54.84 1uhz s LYS 45 Cb -0.09 -2.33 0.06 0.00 -1.51 0.00 0.00 37.83 33.96 1uhz s LYS 45 CO -0.01 -0.23 -0.00 0.08 -0.36 0.00 0.00 175.35 174.82 1uhz s VAL 46 N 1.39 0.96 0.00 4.02 1.01 0.98 -0.11 120.40 128.65 1uhz s VAL 46 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1uhz s VAL 46 Cb -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1uhz s VAL 46 CO -0.12 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1uhz n GLY 47 N 4.89 1.23 0.93 4.51 0.00 -1.26 0.21 105.19 115.69 1uhz n GLY 47 Ca -0.10 0.45 0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 11.11 3.07 -4.30 1.61 3.02 -1.26 -4.99 115.26 123.53 1uhz n ASN 48 Ca 0.00 -3.38 -0.20 0.00 -0.03 0.00 0.00 54.58 50.97 1uhz n ASN 48 Cb 0.00 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.48 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 1.17 0.03 3.52 8.01 0.13 -5.16 118.70 123.38 1uhz s GLU 49 Ca 0.42 -1.35 -0.03 0.00 0.01 0.00 0.00 54.97 54.02 1uhz s GLU 49 Cb 0.37 -1.14 -0.02 0.00 -4.31 0.00 0.00 34.13 29.03 1uhz s GLU 49 CO 0.04 0.22 0.03 0.54 0.01 0.00 0.00 175.26 176.10 1uhz s VAL 50 N -2.16 0.14 0.28 2.63 0.11 -1.26 -0.02 120.40 120.13 1uhz s VAL 50 Ca 0.13 -1.16 -0.09 0.00 -2.93 0.00 0.00 61.98 57.94 1uhz s VAL 50 Cb -0.05 -0.78 -0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1uhz s VAL 50 CO 0.05 -0.64 0.45 0.00 -3.33 0.00 0.00 175.10 171.63 1uhz s ALA 51 N -2.42 0.19 0.07 1.54 0.00 0.15 -4.92 121.76 116.36 1uhz s ALA 51 Ca -0.07 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 1uhz s ALA 51 Cb -0.03 1.11 -0.02 0.00 0.00 0.00 0.00 23.12 24.19 1uhz s ALA 51 CO -0.04 -0.81 0.08 0.95 0.00 0.00 0.00 175.76 175.94 1uhz s THR 52 N -3.67 0.18 0.02 0.00 -4.23 -1.26 0.20 115.64 106.88 1uhz s THR 52 Ca 0.26 -1.50 -0.13 0.00 -1.18 0.00 0.00 61.69 59.15 1uhz s THR 52 Cb 0.00 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 72.43 1uhz s THR 52 CO 0.13 -0.82 0.28 -0.83 -0.54 0.00 0.00 174.62 172.83 1uhz s GLY 53 N -2.89 -0.10 0.03 3.99 0.00 0.13 -3.92 107.32 104.57 1uhz s GLY 53 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1uhz s GLY 53 CO -0.10 -0.13 -0.05 -0.51 0.00 0.00 0.00 173.10 172.31 1uhz s THR 54 N -2.02 0.26 0.05 0.90 -4.23 -1.24 0.14 115.64 109.49 1uhz s THR 54 Ca -0.09 -0.98 -0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1uhz s THR 54 Cb -0.03 -0.40 0.03 0.00 1.34 0.00 0.00 72.50 73.44 1uhz s THR 54 CO -0.00 -0.47 0.35 0.61 -0.54 0.00 0.00 174.62 174.57 1uhz n GLY 55 N 1.53 0.97 0.22 3.99 0.00 -1.19 -4.42 105.19 106.28 1uhz n GLY 55 Ca -0.23 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.93 1.61 0.13 -1.81 -1.50 132.00 126.50 1uhz h PRO 56 Ca -0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.91 1uhz h PRO 56 Cb 0.39 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.33 1uhz h PRO 56 CO 0.11 0.18 -0.60 0.54 -0.23 0.00 0.00 178.00 178.01 1uhz s ASN 57 N -6.15 0.25 0.21 1.44 4.22 -1.26 -4.44 114.94 109.21 1uhz s ASN 57 Ca 0.03 -0.60 -0.17 0.00 -2.14 0.00 0.00 52.86 49.98 1uhz s ASN 57 Cb 0.08 0.18 0.22 0.00 1.28 0.00 0.00 41.25 43.01 1uhz s ASN 57 CO 0.65 -0.46 1.58 0.11 -2.04 0.00 0.00 177.10 176.94 1uhz h LYS 58 N 3.87 -0.07 0.00 3.55 1.57 -1.93 0.17 116.57 123.73 1uhz h LYS 58 Ca -0.33 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1uhz h LYS 58 Cb 1.18 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1uhz h LYS 58 CO 0.50 -0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 1uhz n LYS 59 N -5.47 0.00 -0.31 3.15 4.01 -1.26 0.68 118.16 118.96 1uhz n LYS 59 Ca 0.08 0.66 0.17 0.00 -0.51 0.00 0.00 58.31 58.71 1uhz n LYS 59 Cb 0.38 -1.18 0.35 0.00 -0.51 0.00 0.00 35.03 34.07 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 0.21 -0.18 -0.18 2.04 -1.80 0.50 117.51 118.10 1uhz h ILE 60 Ca 0.00 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1uhz h ILE 60 Cb 0.00 0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.05 1uhz h ILE 60 CO 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 178.15 177.81 1uhz h ALA 61 N 1.86 -0.44 -0.39 1.87 0.00 0.25 0.56 119.26 122.97 1uhz h ALA 61 Ca 0.63 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.60 1uhz h ALA 61 Cb 1.36 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 1uhz h ALA 61 CO -0.72 -0.85 0.14 -0.22 0.00 0.00 0.00 179.25 177.60 1uhz h LYS 62 N -0.41 0.29 -0.80 0.00 3.64 0.51 0.24 116.57 120.03 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 0.58 -0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 32.25 1uhz h LYS 62 CO -0.41 0.19 0.40 0.87 -2.27 0.00 0.00 179.45 178.23 1uhz h LYS 63 N 0.30 0.59 0.00 1.90 1.57 0.51 0.62 116.57 122.05 1uhz h LYS 63 Ca 0.18 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1uhz h LYS 63 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1uhz h LYS 63 CO -0.18 0.39 -0.37 -0.91 -0.57 0.00 0.00 179.45 177.80 1uhz h ASN 64 N 0.61 0.00 0.28 0.86 2.35 0.15 -0.60 115.58 119.23 1uhz h ASN 64 Ca 0.43 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.16 1uhz h ASN 64 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1uhz h ASN 64 CO -0.34 0.37 -0.14 0.00 -1.65 0.00 0.00 177.43 175.68 1uhz h ALA 65 N 1.63 -0.38 -0.80 -0.83 0.00 0.34 -1.60 119.26 117.62 1uhz h ALA 65 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1uhz h ALA 65 Cb 0.77 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1uhz h ALA 65 CO 0.05 -0.55 0.44 0.00 0.00 0.00 0.00 179.25 179.19 1uhz h ALA 66 N -0.11 1.02 -0.32 0.00 0.00 -0.74 -1.09 119.26 118.03 1uhz h ALA 66 Ca -0.04 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1uhz h ALA 66 Cb 0.48 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1uhz h ALA 66 CO 0.06 0.53 -0.14 1.49 0.00 0.00 0.00 179.25 181.19 1uhz h GLU 67 N 1.10 -0.08 -0.57 0.00 4.81 -1.03 0.55 114.58 119.36 1uhz h GLU 67 Ca 0.28 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1uhz h GLU 67 Cb 0.02 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1uhz h GLU 67 CO -0.05 -0.05 0.32 0.00 -0.73 0.00 0.00 179.01 178.50 1uhz h ALA 68 N 1.18 0.73 -0.87 2.92 0.00 -0.89 0.15 119.26 122.47 1uhz h ALA 68 Ca 0.16 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1uhz h ALA 68 Cb 0.33 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1uhz h ALA 68 CO -0.37 0.24 0.56 1.98 0.00 0.00 0.00 179.25 181.66 1uhz h MET 69 N 0.77 1.06 0.00 0.00 1.85 0.12 0.36 114.93 119.09 1uhz h MET 69 Ca 0.20 -0.06 -0.10 0.00 -0.61 0.00 0.00 59.70 59.13 1uhz h MET 69 Cb 0.04 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.82 1uhz h MET 69 CO -0.03 0.70 -0.48 -0.07 -0.40 0.00 0.00 176.91 176.63 1uhz h LEU 70 N 1.09 0.00 -0.18 3.39 3.38 0.57 0.83 115.31 124.39 1uhz h LEU 70 Ca 0.35 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.11 1uhz h LEU 70 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1uhz h LEU 70 CO -0.12 0.48 -0.69 -0.07 0.09 0.00 0.00 178.44 178.13 1uhz h LEU 71 N 0.00 0.93 -0.16 1.67 3.38 0.94 0.42 115.31 122.49 1uhz h LEU 71 Ca -0.00 -0.61 -0.18 0.00 0.09 0.00 0.00 57.88 57.18 1uhz h LEU 71 Cb 0.99 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1uhz h LEU 71 CO 0.06 1.38 -0.61 0.06 0.09 0.00 0.00 178.44 179.42 1uhz h GLN 72 N 0.54 0.69 -0.34 1.13 3.07 -0.18 -3.22 115.11 116.79 1uhz h GLN 72 Ca -0.03 -0.53 0.03 0.00 0.09 0.00 0.00 58.65 58.20 1uhz h GLN 72 Cb 1.32 0.10 -0.03 0.00 0.08 0.00 0.00 27.48 28.95 1uhz h GLN 72 CO 0.15 1.15 0.14 -0.07 0.09 0.00 0.00 178.83 180.29 1uhz h LEU 73 N 0.38 0.19 0.00 0.06 4.07 -0.85 -3.47 115.31 115.68 1uhz h LEU 73 Ca -0.03 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1uhz h LEU 73 Cb 1.24 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 1uhz h LEU 73 CO 0.13 0.14 0.00 0.61 -1.08 0.00 0.00 178.44 178.24 1uhz n GLY 74 N -1.21 1.49 0.05 0.83 0.00 -0.73 -5.04 105.19 100.58 1uhz n GLY 74 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.00 -1.33 1.61 4.01 0.14 -4.52 117.16 117.06 1uhz n TYR 75 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 1uhz n TYR 75 Cb 0.00 -0.56 0.10 0.00 -0.31 0.00 0.00 39.34 38.58 1uhz n TYR 75 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1uhz n LYS 76 N -2.33 0.94 -0.07 -0.72 4.76 -0.96 -4.74 118.16 115.04 1uhz n LYS 76 Ca -0.15 -2.18 -0.13 0.00 -2.87 0.00 0.00 58.31 52.98 1uhz n LYS 76 Cb 0.75 -1.23 -0.11 0.00 -1.84 0.00 0.00 35.03 32.60 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 0.03 0.04 -0.31 7.82 0.00 -1.78 -2.46 119.26 122.60 1uhz h ALA 77 Ca -0.00 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.42 1uhz h ALA 77 Cb 1.11 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1uhz h ALA 77 CO 0.00 0.11 -0.45 0.66 0.00 0.00 0.00 179.25 179.57 1uhz h SER 78 N -1.00 -1.50 -0.13 0.00 4.64 -1.86 0.31 113.55 114.00 1uhz h SER 78 Ca -0.05 0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.49 1uhz h SER 78 Cb 0.89 0.61 -0.02 0.00 -0.31 0.00 0.00 62.40 63.57 1uhz h SER 78 CO -0.03 -0.33 -0.03 0.74 -0.87 0.00 0.00 176.83 176.31 1uhz h THR 79 N -0.34 0.87 -0.76 2.95 2.02 -1.89 -1.86 112.91 113.90 1uhz h THR 79 Ca 0.05 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 1uhz h THR 79 Cb 0.49 0.86 -0.09 0.00 -1.74 0.00 0.00 68.15 67.67 1uhz h THR 79 CO -0.47 0.00 -0.48 -1.28 0.37 0.00 0.00 175.52 173.66 1uhz h SER 80 N 0.01 -1.76 0.20 4.18 0.87 -0.78 0.56 113.55 116.83 1uhz h SER 80 Ca 0.06 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1uhz h SER 80 Cb 0.10 0.77 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 1uhz h SER 80 CO -0.13 -0.21 -0.38 0.25 -0.53 0.00 0.00 176.83 175.83 1uhz h LEU 81 N -0.04 -1.10 -0.63 2.23 5.85 -0.77 -1.49 115.31 119.35 1uhz h LEU 81 Ca 0.12 0.11 0.06 0.00 0.84 0.00 0.00 57.88 59.00 1uhz h LEU 81 Cb 0.36 0.39 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 1uhz h LEU 81 CO -0.74 -0.44 -0.37 0.00 -0.34 0.00 0.00 178.44 176.55 1uhz n GLN 82 N -4.64 -0.28 -0.34 1.25 6.02 -0.45 0.10 117.38 119.04 1uhz n GLN 82 Ca -0.07 1.27 -0.04 0.00 -0.01 0.00 0.00 57.00 58.14 1uhz n GLN 82 Cb 0.32 -1.88 0.00 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.53 -0.15 1.08 1.82 0.33 0.39 116.42 118.36 1uhz h ASP 83 Ca 0.10 0.29 0.03 0.00 -0.39 0.00 0.00 57.03 57.06 1uhz h ASP 83 Cb 0.26 0.76 -0.03 0.00 0.68 0.00 0.00 39.33 41.00 1uhz h ASP 83 CO -0.60 -0.29 -0.03 -1.28 -1.61 0.00 0.00 179.24 175.43 1uhz h SER 84 N -0.06 -0.13 -3.97 2.28 0.87 0.75 -3.42 113.55 109.87 1uhz h SER 84 Ca 0.28 0.04 -0.54 0.00 -1.23 0.00 0.00 61.79 60.34 1uhz h SER 84 Cb 0.56 0.09 0.11 0.00 -0.44 0.00 0.00 62.40 62.72 1uhz h SER 84 CO -0.90 -0.04 0.71 -0.83 -0.53 0.00 0.00 176.83 175.23 1uhz s GLY 85 N -2.50 2.93 -0.06 5.77 0.00 0.29 -4.96 107.32 108.78 1uhz s GLY 85 Ca -0.13 1.46 -0.11 0.00 0.00 0.00 0.00 44.72 45.94 1uhz s GLY 85 CO 0.68 2.08 0.44 -0.56 0.00 0.00 0.00 173.10 175.74 1uhz h PRO 86 N 2.52 -0.30 -6.82 2.90 0.13 -1.82 -3.46 132.00 125.14 1uhz h PRO 86 Ca -0.51 0.02 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 1uhz h PRO 86 Cb 1.26 0.07 0.04 0.00 0.13 0.00 0.00 31.00 32.50 1uhz h PRO 86 CO 0.62 -0.14 -0.03 0.45 -0.23 0.00 0.00 178.00 178.67 1uhz s SER 87 N -5.23 5.49 -0.13 1.44 0.15 -1.26 -5.05 113.70 109.11 1uhz s SER 87 Ca -0.06 0.17 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 1uhz s SER 87 Cb 0.00 -1.19 -0.05 0.00 -1.71 0.00 0.00 66.02 63.07 1uhz s SER 87 CO 0.19 -0.98 0.01 0.28 1.20 0.00 0.00 173.24 173.94 1uhz h SER 88 N 0.16 0.00 0.00 5.45 0.02 -1.95 -3.49 113.55 113.73 1uhz h SER 88 Ca -0.44 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1uhz h SER 88 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1uhz h SER 88 CO 0.55 0.71 0.00 0.61 -1.14 0.00 0.00 176.83 177.56