#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gzy s ALA 2 N 0.00 -0.55 0.53 3.04 0.00 -1.26 -4.91 121.76 118.61 2gzy s ALA 2 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 2gzy s ALA 2 Cb 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.55 2gzy s ALA 2 CO 0.00 -0.52 1.10 0.42 0.00 0.00 0.00 175.76 176.76 2gzy s ILE 3 N -3.46 3.37 0.26 0.00 1.01 -1.26 -4.83 121.20 116.29 2gzy s ILE 3 Ca 0.01 0.84 0.07 0.00 0.00 0.00 0.00 60.65 61.58 2gzy s ILE 3 Cb 0.02 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2gzy s ILE 3 CO -0.09 -0.19 0.21 -0.69 0.00 0.00 0.00 174.94 174.18 2gzy s VAL 4 N -1.86 4.33 -0.01 2.92 1.01 -0.01 -5.00 120.40 121.78 2gzy s VAL 4 Ca 0.71 -1.40 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2gzy s VAL 4 Cb -0.21 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2gzy s VAL 4 CO 0.25 -0.33 -0.23 -0.54 0.00 0.00 0.00 175.10 174.26 2gzy s LYS 5 N -3.86 1.83 0.26 2.72 3.01 -1.26 -0.59 119.74 121.84 2gzy s LYS 5 Ca 0.34 -0.84 0.02 0.00 -1.01 0.00 0.00 55.97 54.48 2gzy s LYS 5 Cb -0.08 -1.79 -0.04 0.00 -1.01 0.00 0.00 37.83 34.92 2gzy s LYS 5 CO 0.25 0.49 0.14 0.00 0.51 0.00 0.00 175.35 176.74 2gzy s ALA 6 N -0.56 1.65 0.36 5.17 0.00 -0.43 -4.88 121.76 123.06 2gzy s ALA 6 Ca 0.09 -1.79 0.03 0.00 0.00 0.00 0.00 51.96 50.29 2gzy s ALA 6 Cb -0.09 1.22 -0.04 0.00 0.00 0.00 0.00 23.12 24.21 2gzy s ALA 6 CO -0.01 -0.53 0.09 0.95 0.00 0.00 0.00 175.76 176.27 2gzy s THR 7 N -3.80 0.86 0.40 0.00 -4.23 -1.26 -4.52 115.64 103.08 2gzy s THR 7 Ca 0.38 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.04 2gzy s THR 7 Cb 0.06 -2.57 0.37 0.00 1.34 0.00 0.00 72.50 71.69 2gzy s THR 7 CO 0.16 0.00 1.85 -0.78 -0.54 0.00 0.00 174.62 175.31 2gzy h ASP 8 N 2.00 0.47 0.69 3.99 3.58 -1.89 0.17 116.42 125.43 2gzy h ASP 8 Ca -0.38 0.05 -0.18 0.00 0.42 0.00 0.00 57.03 56.93 2gzy h ASP 8 Cb 1.26 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.25 2gzy h ASP 8 CO 0.63 0.19 -0.82 1.56 -2.88 0.00 0.00 179.24 177.92 2gzy h GLN 9 N 0.47 0.09 0.00 0.28 7.50 -1.99 -3.37 115.11 118.08 2gzy h GLN 9 Ca 0.47 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.52 2gzy h GLN 9 Cb 1.07 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.63 2gzy h GLN 9 CO -0.19 0.86 -0.95 -1.13 -1.50 0.00 0.00 178.83 175.92 2gzy n SER 10 N -3.63 1.57 -0.35 1.46 3.41 -0.69 -4.45 113.62 110.95 2gzy n SER 10 Ca -0.02 -0.37 0.14 0.00 -0.26 0.00 0.00 58.87 58.36 2gzy n SER 10 Cb 0.78 1.23 0.34 0.00 -0.26 0.00 0.00 64.21 66.30 2gzy n SER 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2gzy h PHE 11 N 0.00 1.03 0.00 7.33 3.04 -0.86 -1.18 116.94 126.29 2gzy h PHE 11 Ca 0.00 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.94 2gzy h PHE 11 Cb 0.34 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 2gzy h PHE 11 CO 0.00 0.21 -0.22 0.77 -2.02 0.00 0.00 178.31 177.05 2gzy h SER 12 N 0.72 0.00 0.01 0.41 0.02 -1.79 -0.10 113.55 112.81 2gzy h SER 12 Ca 0.58 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.48 2gzy h SER 12 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2gzy h SER 12 CO -0.37 0.22 -0.19 0.00 -1.14 0.00 0.00 176.83 175.36 2gzy h ALA 13 N 1.78 0.01 -0.36 3.77 0.00 -1.53 -3.37 119.26 119.56 2gzy h ALA 13 Ca -0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2gzy h ALA 13 Cb 0.88 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2gzy h ALA 13 CO 0.03 0.05 -0.18 0.93 0.00 0.00 0.00 179.25 180.08 2gzy h GLU 14 N -0.65 0.68 -0.08 0.00 4.39 -0.89 -2.59 114.58 115.43 2gzy h GLU 14 Ca -0.03 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2gzy h GLU 14 Cb 1.00 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2gzy h GLU 14 CO 0.04 0.82 0.00 0.25 -1.16 0.00 0.00 179.01 178.95 2gzy n THR 15 N -4.14 0.11 -1.86 1.13 -2.24 -0.08 -4.10 114.28 103.09 2gzy n THR 15 Ca 0.01 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 2gzy n THR 15 Cb 0.39 0.01 0.12 0.00 -2.10 0.00 0.00 70.33 68.74 2gzy n THR 15 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2gzy n SER 16 N -0.29 3.02 0.00 3.42 7.64 -0.98 -3.22 113.62 123.21 2gzy n SER 16 Ca 0.08 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.27 2gzy n SER 16 Cb 0.11 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2gzy n SER 16 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2gzy n GLU 17 N -0.85 -0.07 -3.55 1.43 1.02 -1.26 -4.71 120.64 112.65 2gzy n GLU 17 Ca 0.28 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2gzy n GLU 17 Cb 0.83 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 2gzy n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gzy n GLY 18 N -0.02 -0.99 3.72 0.62 0.00 -1.26 -4.94 105.19 102.32 2gzy n GLY 18 Ca 0.00 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2gzy n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gzy s VAL 19 N -3.00 4.47 0.01 1.61 1.01 -1.26 -0.83 120.40 122.41 2gzy s VAL 19 Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2gzy s VAL 19 Cb 0.00 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 2gzy s VAL 19 CO 0.00 0.25 -0.02 -0.69 0.00 0.00 0.00 175.10 174.63 2gzy s VAL 20 N 0.36 0.11 -0.05 2.92 1.01 0.13 -1.60 120.40 123.28 2gzy s VAL 20 Ca 0.50 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.96 2gzy s VAL 20 Cb -0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.94 2gzy s VAL 20 CO 0.30 -0.30 -0.22 -0.22 0.00 0.00 0.00 175.10 174.66 2gzy s LEU 21 N -0.91 2.01 -0.11 3.92 0.20 -0.39 -0.76 118.68 122.64 2gzy s LEU 21 Ca -0.09 -0.44 -0.00 0.00 0.69 0.00 0.00 54.13 54.28 2gzy s LEU 21 Cb -0.06 -1.20 0.02 0.00 -0.43 0.00 0.00 46.19 44.52 2gzy s LEU 21 CO -0.01 0.21 -0.08 0.00 -0.29 0.00 0.00 176.35 176.19 2gzy s ALA 22 N -0.13 1.29 -0.54 5.97 0.00 -0.13 -1.00 121.76 127.22 2gzy s ALA 22 Ca -0.02 -0.51 -0.18 0.00 0.00 0.00 0.00 51.96 51.24 2gzy s ALA 22 Cb -0.12 -0.86 0.09 0.00 0.00 0.00 0.00 23.12 22.22 2gzy s ALA 22 CO 0.03 -0.35 0.60 0.34 0.00 0.00 0.00 175.76 176.38 2gzy s ASP 23 N 1.58 6.19 -0.26 0.00 2.15 -0.03 -1.31 116.67 124.99 2gzy s ASP 23 Ca 0.03 -1.30 -0.29 0.00 0.43 0.00 0.00 52.55 51.42 2gzy s ASP 23 Cb -0.13 -2.27 -0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2gzy s ASP 23 CO -0.07 -0.94 1.25 -0.36 -0.17 0.00 0.00 175.17 174.88 2gzy s PHE 24 N 2.36 2.82 0.34 -5.34 0.40 0.25 -1.50 117.98 117.32 2gzy s PHE 24 Ca 0.10 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.42 2gzy s PHE 24 Cb -0.23 -3.73 -0.01 0.00 0.51 0.00 0.00 43.02 39.56 2gzy s PHE 24 CO 0.08 -1.53 0.42 1.67 0.70 0.00 0.00 175.22 176.56 2gzy s TRP 25 N 3.98 1.26 -0.04 0.36 1.48 -0.59 -1.52 118.94 123.86 2gzy s TRP 25 Ca 0.54 -1.40 -0.28 0.00 -1.06 0.00 0.00 56.10 53.89 2gzy s TRP 25 Cb -0.17 -0.25 0.06 0.00 -1.16 0.00 0.00 33.47 31.95 2gzy s TRP 25 CO 0.19 -1.07 0.63 0.00 -4.06 0.00 0.00 176.95 172.63 2gzy s ALA 26 N -3.14 -1.62 -0.23 2.67 0.00 -1.26 -1.22 121.76 116.96 2gzy s ALA 26 Ca 0.33 1.16 0.28 0.00 0.00 0.00 0.00 51.96 53.73 2gzy s ALA 26 Cb 0.00 0.03 0.94 0.00 0.00 0.00 0.00 23.12 24.10 2gzy s ALA 26 CO 0.22 -0.37 1.81 -1.00 0.00 0.00 0.00 175.76 176.43 2gzy h PRO 27 N 3.09 0.00 0.00 0.00 0.13 -2.00 -2.64 132.00 130.58 2gzy h PRO 27 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2gzy h PRO 27 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2gzy h PRO 27 CO 0.39 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.49 2gzy n TRP 28 N -2.89 0.22 -2.91 1.56 2.14 -1.26 -4.75 117.44 109.55 2gzy n TRP 28 Ca 0.02 0.06 -0.42 0.00 2.07 0.00 0.00 57.50 59.24 2gzy n TRP 28 Cb 0.38 -0.61 -0.04 0.00 -0.81 0.00 0.00 31.31 30.23 2gzy n TRP 28 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2gzy h GLY 30 N 9.25 -1.09 -0.00 0.00 0.00 -1.88 -2.96 103.07 106.39 2gzy h GLY 30 Ca -0.23 0.48 0.25 0.00 0.00 0.00 0.00 47.33 47.82 2gzy h GLY 30 CO 0.87 -0.37 0.65 -2.55 0.00 0.00 0.00 176.54 175.14 2gzy h PRO 31 N -0.96 0.41 -0.42 4.80 0.11 -1.94 0.47 132.00 134.47 2gzy h PRO 31 Ca -0.07 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.03 2gzy h PRO 31 Cb 0.81 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 2gzy h PRO 31 CO 0.02 0.27 0.26 0.00 -0.21 0.00 0.00 178.00 178.34 2gzy h LYS 33 N 0.52 0.02 -0.38 0.00 1.57 -0.84 -1.82 116.57 115.65 2gzy h LYS 33 Ca 0.16 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2gzy h LYS 33 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2gzy h LYS 33 CO -0.06 0.53 -0.08 0.52 -0.57 0.00 0.00 179.45 179.79 2gzy h MET 34 N 0.02 0.72 0.00 3.15 2.86 -0.67 -3.14 114.93 117.88 2gzy h MET 34 Ca -0.00 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 2gzy h MET 34 Cb 0.92 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.54 2gzy h MET 34 CO 0.07 0.87 0.00 0.97 1.06 0.00 0.00 176.91 179.87 2gzy h ILE 35 N 0.53 0.00 -0.29 -1.22 2.10 -0.95 -3.37 117.51 114.30 2gzy h ILE 35 Ca 0.10 -0.84 0.07 0.00 1.08 0.00 0.00 64.86 65.27 2gzy h ILE 35 Cb 0.59 1.83 -0.07 0.00 -1.09 0.00 0.00 36.82 38.08 2gzy h ILE 35 CO 0.04 0.00 -0.21 0.00 -1.08 0.00 0.00 178.15 176.89 2gzy h ALA 36 N 2.10 -0.03 -0.02 0.18 0.00 -1.27 0.01 119.26 120.22 2gzy h ALA 36 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2gzy h ALA 36 Cb 0.89 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2gzy h ALA 36 CO 0.00 -0.62 -0.24 -1.00 0.00 0.00 0.00 179.25 177.39 2gzy h PRO 37 N -0.19 0.04 -0.52 0.00 0.13 -1.75 -1.04 132.00 128.67 2gzy h PRO 37 Ca 0.15 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 2gzy h PRO 37 Cb 0.43 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2gzy h PRO 37 CO -0.41 0.28 0.11 0.28 -0.23 0.00 0.00 178.00 178.03 2gzy h VAL 38 N 0.04 1.25 -0.28 1.56 2.07 -1.42 -0.67 116.25 118.79 2gzy h VAL 38 Ca 0.01 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 2gzy h VAL 38 Cb 0.44 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2gzy h VAL 38 CO 0.03 0.32 -0.23 -0.07 0.02 0.00 0.00 177.57 177.64 2gzy h LEU 39 N 0.72 0.52 -0.63 2.57 3.38 -0.52 -0.01 115.31 121.35 2gzy h LEU 39 Ca 0.16 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2gzy h LEU 39 Cb 0.36 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2gzy h LEU 39 CO 0.00 0.75 0.06 -0.33 0.09 0.00 0.00 178.44 179.02 2gzy h GLU 40 N 0.46 1.07 -0.54 1.13 5.08 -0.84 0.12 114.58 121.06 2gzy h GLU 40 Ca 0.07 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 2gzy h GLU 40 Cb 0.65 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2gzy h GLU 40 CO 0.05 1.01 0.17 0.93 -1.00 0.00 0.00 179.01 180.17 2gzy h GLU 41 N 0.98 0.84 -0.76 2.33 5.08 -0.86 -1.37 114.58 120.81 2gzy h GLU 41 Ca 0.19 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2gzy h GLU 41 Cb 0.49 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2gzy h GLU 41 CO 0.02 0.76 0.32 1.25 -1.00 0.00 0.00 179.01 180.37 2gzy h LEU 42 N 0.75 1.02 -0.66 1.33 5.85 -0.72 -1.96 115.31 120.93 2gzy h LEU 42 Ca 0.18 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 2gzy h LEU 42 Cb 0.27 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2gzy h LEU 42 CO -0.01 0.89 -0.10 -0.78 -0.34 0.00 0.00 178.44 178.11 2gzy h ASP 43 N 1.10 0.94 0.38 1.25 3.58 -0.57 0.13 116.42 123.23 2gzy h ASP 43 Ca 0.26 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 2gzy h ASP 43 Cb 0.17 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 2gzy h ASP 43 CO -0.03 1.05 -0.07 1.56 -2.88 0.00 0.00 179.24 178.88 2gzy h GLN 44 N 0.85 0.00 0.00 0.28 4.20 -0.84 0.10 115.11 119.71 2gzy h GLN 44 Ca 0.14 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.50 2gzy h GLN 44 Cb 0.64 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 2gzy h GLN 44 CO 0.04 0.07 -2.19 0.39 -0.67 0.00 0.00 178.83 176.47 2gzy n GLU 45 N -3.45 0.67 0.00 1.46 -0.58 -0.77 -4.72 120.64 113.25 2gzy n GLU 45 Ca -0.02 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2gzy n GLU 45 Cb 0.21 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 2gzy n GLU 45 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2gzy n MET 46 N -2.89 3.31 -0.31 3.49 2.81 0.40 -4.90 117.12 119.04 2gzy n MET 46 Ca -0.29 -0.02 0.34 0.00 -1.81 0.00 0.00 57.70 55.92 2gzy n MET 46 Cb 1.12 -0.29 0.73 0.00 -0.71 0.00 0.00 33.22 34.06 2gzy n MET 46 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2gzy h GLY 47 N 0.00 0.10 1.35 3.03 0.00 -0.84 0.17 103.07 106.88 2gzy h GLY 47 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 47.33 47.00 2gzy h GLY 47 CO 0.00 -0.01 -1.35 -1.80 0.00 0.00 0.00 176.54 173.37 2gzy h ASP 48 N 0.03 0.75 1.02 0.19 3.58 -1.90 -3.34 116.42 116.75 2gzy h ASP 48 Ca 0.55 -0.77 -0.16 0.00 0.42 0.00 0.00 57.03 57.08 2gzy h ASP 48 Cb 2.15 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.93 2gzy h ASP 48 CO -0.03 1.59 -1.04 0.11 -2.88 0.00 0.00 179.24 176.99 2gzy h LYS 49 N 0.17 0.00 -2.81 0.28 1.57 -1.31 -3.45 116.57 111.02 2gzy h LYS 49 Ca -0.21 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 2gzy h LYS 49 Cb 2.05 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 34.06 2gzy h LYS 49 CO 0.25 0.46 -0.45 -1.17 -0.57 0.00 0.00 179.45 177.96 2gzy s LEU 50 N -6.15 -0.13 0.47 2.94 0.20 0.35 -4.43 118.68 111.93 2gzy s LEU 50 Ca 0.00 0.69 -0.22 0.00 0.69 0.00 0.00 54.13 55.30 2gzy s LEU 50 Cb 0.08 0.93 -0.08 0.00 -0.43 0.00 0.00 46.19 46.69 2gzy s LEU 50 CO 0.79 -0.21 1.10 -0.75 -0.29 0.00 0.00 176.35 176.98 2gzy s LYS 51 N 1.97 3.76 -0.07 1.98 2.20 -0.63 -3.57 119.74 125.39 2gzy s LYS 51 Ca -0.04 1.57 0.05 0.00 -0.36 0.00 0.00 55.97 57.19 2gzy s LYS 51 Cb -0.11 -2.26 -0.00 0.00 -1.51 0.00 0.00 37.83 33.95 2gzy s LYS 51 CO -0.10 -0.50 -0.22 0.42 -0.36 0.00 0.00 175.35 174.59 2gzy s ILE 52 N -1.74 1.84 0.13 5.43 1.01 -1.26 -1.27 121.20 125.34 2gzy s ILE 52 Ca 0.65 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.45 2gzy s ILE 52 Cb -0.23 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 2gzy s ILE 52 CO 0.27 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.86 2gzy s VAL 53 N 0.07 1.56 -0.01 2.92 1.01 -0.17 -0.83 120.40 124.96 2gzy s VAL 53 Ca -0.08 -1.69 0.08 0.00 0.00 0.00 0.00 61.98 60.28 2gzy s VAL 53 Cb -0.14 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 2gzy s VAL 53 CO 0.05 -0.27 -0.24 -0.54 0.00 0.00 0.00 175.10 174.10 2gzy s LYS 54 N -2.41 2.10 -0.11 2.72 -0.14 0.24 -0.85 119.74 121.30 2gzy s LYS 54 Ca 0.09 -0.93 -0.04 0.00 -1.36 0.00 0.00 55.97 53.73 2gzy s LYS 54 Cb -0.07 -2.09 0.06 0.00 -1.68 0.00 0.00 37.83 34.05 2gzy s LYS 54 CO 0.04 0.56 0.22 -1.50 -0.76 0.00 0.00 175.35 173.92 2gzy s ILE 55 N -0.69 -0.33 -0.47 2.17 2.07 -0.56 -1.32 121.20 122.07 2gzy s ILE 55 Ca 0.11 0.30 -0.28 0.00 -1.41 0.00 0.00 60.65 59.36 2gzy s ILE 55 Cb -0.10 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.14 2gzy s ILE 55 CO 0.00 0.12 1.10 -0.62 -1.91 0.00 0.00 174.94 173.63 2gzy s ASP 56 N 2.28 6.63 0.52 4.50 2.15 -1.26 -1.55 116.67 129.94 2gzy s ASP 56 Ca 0.01 0.44 0.26 0.00 0.43 0.00 0.00 52.55 53.69 2gzy s ASP 56 Cb -0.12 -2.53 1.41 0.00 -0.30 0.00 0.00 42.92 41.38 2gzy s ASP 56 CO -0.07 -1.20 2.07 -0.37 -0.17 0.00 0.00 175.17 175.43 2gzy h VAL 57 N 6.18 0.64 0.00 1.11 -1.51 -1.46 -2.18 116.25 119.03 2gzy h VAL 57 Ca -0.23 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 2gzy h VAL 57 Cb 1.06 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2gzy h VAL 57 CO 1.10 0.12 0.00 -0.67 -1.23 0.00 0.00 177.57 176.90 2gzy n ASP 58 N -3.74 0.43 0.00 4.19 2.03 -1.26 -1.75 116.55 116.45 2gzy n ASP 58 Ca -0.02 0.60 0.00 0.00 0.52 0.00 0.00 54.79 55.89 2gzy n ASP 58 Cb 0.23 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 2gzy n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2gzy n GLU 59 N -1.97 3.22 -2.31 -0.67 -0.58 -0.92 -4.79 120.64 112.63 2gzy n GLU 59 Ca 0.03 -0.24 -0.00 0.00 -0.42 0.00 0.00 57.16 56.53 2gzy n GLU 59 Cb 0.23 -0.74 0.05 0.00 -0.57 0.00 0.00 31.44 30.41 2gzy n GLU 59 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2gzy n ASN 60 N -0.53 0.56 0.27 1.62 3.02 -0.87 -4.87 115.26 114.48 2gzy n ASN 60 Ca 0.00 -2.05 0.16 0.00 -0.03 0.00 0.00 54.58 52.65 2gzy n ASN 60 Cb 0.00 -0.12 0.89 0.00 -0.61 0.00 0.00 39.78 39.94 2gzy n ASN 60 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2gzy h GLN 61 N 1.65 0.00 -0.24 3.52 -0.00 -1.60 -1.28 115.11 117.15 2gzy h GLN 61 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 2gzy h GLN 61 Cb 1.44 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.90 2gzy h GLN 61 CO 0.04 0.00 0.15 0.93 -0.00 0.00 0.00 178.83 179.95 2gzy h GLU 62 N 0.00 0.32 0.02 0.06 3.07 -1.90 0.28 114.58 116.42 2gzy h GLU 62 Ca 0.02 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 2gzy h GLU 62 Cb 0.14 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.98 2gzy h GLU 62 CO -0.00 0.22 -0.16 1.79 -1.40 0.00 0.00 179.01 179.46 2gzy h THR 63 N 0.33 1.68 -0.32 1.13 1.35 -1.58 -3.23 112.91 112.28 2gzy h THR 63 Ca 0.09 -2.20 -0.02 0.00 -0.55 0.00 0.00 66.41 63.73 2gzy h THR 63 Cb -0.03 3.16 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 2gzy h THR 63 CO -0.02 0.59 0.13 0.00 -0.25 0.00 0.00 175.52 175.97 2gzy h ALA 64 N 0.10 0.42 0.00 6.62 0.00 -1.27 -1.18 119.26 123.95 2gzy h ALA 64 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2gzy h ALA 64 Cb 1.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2gzy h ALA 64 CO 0.03 0.02 -0.04 0.78 0.00 0.00 0.00 179.25 180.04 2gzy h GLY 65 N 0.37 0.00 1.85 0.00 0.00 -0.88 0.26 103.07 104.67 2gzy h GLY 65 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.46 2gzy h GLY 65 CO -0.01 0.00 0.06 1.70 0.00 0.00 0.00 176.54 178.29 2gzy h LYS 66 N 0.00 0.00 -0.15 4.80 3.64 -1.22 -1.77 116.57 121.87 2gzy h LYS 66 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gzy h LYS 66 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2gzy h LYS 66 CO 0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 2gzy n TYR 67 N -4.24 0.23 -1.24 1.91 4.01 -0.68 -4.99 117.16 112.16 2gzy n TYR 67 Ca -0.01 -0.54 -0.08 0.00 -0.16 0.00 0.00 57.90 57.10 2gzy n TYR 67 Cb 0.16 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.09 2gzy n TYR 67 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gzy n GLY 68 N -0.14 1.01 3.74 2.72 0.00 -0.67 -5.01 105.19 106.84 2gzy n GLY 68 Ca 0.07 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 2gzy n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gzy s VAL 69 N -2.23 4.72 -0.07 1.61 1.01 -0.01 -4.90 120.40 120.53 2gzy s VAL 69 Ca 0.00 1.69 0.08 0.00 0.00 0.00 0.00 61.98 63.75 2gzy s VAL 69 Cb 0.00 -4.14 0.17 0.00 0.00 0.00 0.00 36.38 32.41 2gzy s VAL 69 CO 0.00 0.35 1.13 0.80 0.00 0.00 0.00 175.10 177.38 2gzy n MET 70 N 2.88 0.32 -4.04 2.72 1.56 -1.26 -3.07 117.12 116.23 2gzy n MET 70 Ca -0.02 -1.34 -0.11 0.00 -0.27 0.00 0.00 57.70 55.97 2gzy n MET 70 Cb 0.50 0.29 -0.11 0.00 2.15 0.00 0.00 33.22 36.05 2gzy n MET 70 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2gzy s SER 71 N -1.34 0.58 0.09 6.12 0.01 -1.26 -5.17 113.70 112.72 2gzy s SER 71 Ca 0.09 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.66 2gzy s SER 71 Cb 0.16 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2gzy s SER 71 CO -0.05 -0.29 0.20 0.27 0.41 0.00 0.00 173.24 173.77 2gzy s ILE 72 N -1.76 0.14 0.38 1.44 -4.36 -1.26 -4.30 121.20 111.47 2gzy s ILE 72 Ca -0.10 -1.12 -0.27 0.00 -0.26 0.00 0.00 60.65 58.90 2gzy s ILE 72 Cb -0.08 -1.30 -0.09 0.00 1.25 0.00 0.00 42.46 42.25 2gzy s ILE 72 CO -0.01 -0.62 1.29 -2.16 0.24 0.00 0.00 174.94 173.67 2gzy s PRO 73 N -3.75 4.09 -0.05 0.37 0.04 -1.26 -4.79 135.00 129.64 2gzy s PRO 73 Ca 0.04 2.13 0.01 0.00 0.04 0.00 0.00 61.00 63.23 2gzy s PRO 73 Cb 0.04 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.77 2gzy s PRO 73 CO -0.10 -0.39 -0.07 0.99 0.04 0.00 0.00 177.00 177.47 2gzy s THR 74 N -1.24 0.74 -0.32 1.26 2.01 -0.58 -0.91 115.64 116.60 2gzy s THR 74 Ca 0.55 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 62.27 2gzy s THR 74 Cb -0.38 -0.73 0.05 0.00 0.01 0.00 0.00 72.50 71.45 2gzy s THR 74 CO 0.49 0.27 0.06 -0.76 -0.69 0.00 0.00 174.62 173.99 2gzy s LEU 75 N 0.90 4.17 0.32 4.42 1.43 0.38 -0.58 118.68 129.72 2gzy s LEU 75 Ca -0.11 -1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 51.63 2gzy s LEU 75 Cb -0.15 -1.80 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 2gzy s LEU 75 CO 0.01 -0.31 0.69 -0.76 0.23 0.00 0.00 176.35 176.21 2gzy s LEU 76 N 1.32 4.02 -0.07 1.79 1.02 -0.43 -0.96 118.68 125.37 2gzy s LEU 76 Ca -0.03 1.11 0.04 0.00 0.02 0.00 0.00 54.13 55.27 2gzy s LEU 76 Cb -0.20 -3.93 0.00 0.00 0.02 0.00 0.00 46.19 42.08 2gzy s LEU 76 CO 0.01 -0.23 -0.19 -0.69 0.02 0.00 0.00 176.35 175.26 2gzy s VAL 77 N -2.07 1.66 0.13 -1.59 1.01 -0.04 -0.96 120.40 118.54 2gzy s VAL 77 Ca 0.51 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2gzy s VAL 77 Cb -0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2gzy s VAL 77 CO 0.23 0.47 -0.09 -0.76 0.00 0.00 0.00 175.10 174.95 2gzy s LEU 78 N 0.27 2.52 -0.12 3.92 1.02 0.06 -0.41 118.68 125.95 2gzy s LEU 78 Ca -0.12 -1.01 -0.06 0.00 0.02 0.00 0.00 54.13 52.97 2gzy s LEU 78 Cb -0.15 -0.26 0.05 0.00 0.02 0.00 0.00 46.19 45.86 2gzy s LEU 78 CO 0.05 -0.38 0.27 -0.75 0.02 0.00 0.00 176.35 175.56 2gzy s LYS 79 N -3.78 0.21 0.00 1.70 2.20 0.01 -0.69 119.74 119.39 2gzy s LYS 79 Ca 0.15 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 2gzy s LYS 79 Cb 0.03 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 2gzy s LYS 79 CO -0.01 -0.19 0.00 -3.47 -0.36 0.00 0.00 175.35 171.32 2gzy n ASP 80 N 4.51 0.00 0.00 1.43 2.03 -0.01 -2.38 116.55 122.13 2gzy n ASP 80 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 2gzy n ASP 80 Cb 0.52 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 2gzy n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gzy n GLY 81 N -1.03 0.00 3.11 0.27 0.00 -1.20 -4.25 105.19 102.09 2gzy n GLY 81 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2gzy n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gzy s GLU 82 N 0.00 0.65 0.35 1.61 -1.05 -1.00 -4.91 118.70 114.35 2gzy s GLU 82 Ca 0.00 -0.88 -0.29 0.00 -0.15 0.00 0.00 54.97 53.66 2gzy s GLU 82 Cb 0.00 -0.46 -0.11 0.00 -0.44 0.00 0.00 34.13 33.13 2gzy s GLU 82 CO 0.00 0.09 1.37 0.08 0.95 0.00 0.00 175.26 177.74 2gzy s VAL 83 N -1.56 2.50 0.00 1.83 1.01 -1.26 -0.81 120.40 122.10 2gzy s VAL 83 Ca -0.05 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2gzy s VAL 83 Cb -0.09 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2gzy s VAL 83 CO 0.01 0.12 0.00 1.33 0.00 0.00 0.00 175.10 176.56 2gzy n VAL 84 N 0.70 0.00 -3.66 2.92 0.24 0.46 -4.87 118.33 114.13 2gzy n VAL 84 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.21 2gzy n VAL 84 Cb 0.41 0.19 -0.03 0.00 -1.47 0.00 0.00 33.84 32.94 2gzy n VAL 84 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2gzy s GLU 85 N -1.89 1.43 -0.06 7.34 2.56 -0.61 -4.98 118.70 122.49 2gzy s GLU 85 Ca 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 54.97 54.16 2gzy s GLU 85 Cb 0.00 0.56 0.02 0.00 2.00 0.00 0.00 34.13 36.71 2gzy s GLU 85 CO 0.00 -0.63 0.15 0.99 -0.56 0.00 0.00 175.26 175.21 2gzy s THR 86 N -3.84 -0.01 0.03 -1.70 2.01 -1.26 -0.86 115.64 110.01 2gzy s THR 86 Ca 0.07 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 2gzy s THR 86 Cb -0.02 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 2gzy s THR 86 CO -0.04 0.01 0.09 -0.44 -0.69 0.00 0.00 174.62 173.54 2gzy s SER 87 N 0.25 0.17 0.03 3.53 0.01 -0.13 -5.01 113.70 112.55 2gzy s SER 87 Ca -0.01 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.80 2gzy s SER 87 Cb -0.03 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 2gzy s SER 87 CO -0.01 -0.46 -0.10 -0.69 0.41 0.00 0.00 173.24 172.39 2gzy s VAL 88 N -2.28 0.74 0.00 3.43 1.01 -1.26 -0.47 120.40 121.57 2gzy s VAL 88 Ca -0.08 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2gzy s VAL 88 Cb -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2gzy s VAL 88 CO -0.03 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.54 2gzy n GLY 89 N 1.91 -0.41 3.76 4.51 0.00 -0.08 -4.94 105.19 109.94 2gzy n GLY 89 Ca -0.19 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 2gzy n GLY 89 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gzy s PHE 90 N -1.55 2.54 -0.01 1.61 2.19 -1.26 -4.85 117.98 116.64 2gzy s PHE 90 Ca 0.00 1.35 -0.08 0.00 0.33 0.00 0.00 56.93 58.53 2gzy s PHE 90 Cb 0.00 -3.79 0.01 0.00 -1.31 0.00 0.00 43.02 37.93 2gzy s PHE 90 CO 0.00 -2.60 0.16 0.15 1.83 0.00 0.00 175.22 174.76 2gzy s LYS 91 N -2.53 0.46 0.71 10.12 1.02 -1.26 -5.15 119.74 123.11 2gzy s LYS 91 Ca 0.63 -0.27 -0.11 0.00 0.02 0.00 0.00 55.97 56.24 2gzy s LYS 91 Cb -0.40 0.20 0.01 0.00 -0.52 0.00 0.00 37.83 37.12 2gzy s LYS 91 CO 0.51 -0.11 1.07 -1.25 -0.92 0.00 0.00 175.35 174.64 2gzy s PRO 92 N -1.13 2.83 0.30 -1.68 0.04 -1.26 -4.87 135.00 129.23 2gzy s PRO 92 Ca -0.12 1.00 -0.00 0.00 0.04 0.00 0.00 61.00 61.91 2gzy s PRO 92 Cb -0.06 -1.98 0.49 0.00 0.04 0.00 0.00 34.50 32.99 2gzy s PRO 92 CO 0.02 -1.18 1.93 -0.22 0.04 0.00 0.00 177.00 177.58 2gzy h LYS 93 N -0.76 1.04 -0.94 4.56 3.64 -1.99 -1.73 116.57 120.39 2gzy h LYS 93 Ca -0.44 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2gzy h LYS 93 Cb 1.21 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 2gzy h LYS 93 CO 0.56 0.69 0.62 1.49 -2.27 0.00 0.00 179.45 180.54 2gzy h GLU 94 N 1.07 1.23 -0.29 1.90 4.81 -1.98 0.18 114.58 121.50 2gzy h GLU 94 Ca 0.36 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 2gzy h GLU 94 Cb 0.08 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2gzy h GLU 94 CO -0.12 0.81 -0.34 0.00 -0.73 0.00 0.00 179.01 178.64 2gzy h ALA 95 N 1.42 0.43 -0.39 2.92 0.00 -1.72 -2.51 119.26 119.42 2gzy h ALA 95 Ca 0.34 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2gzy h ALA 95 Cb -0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2gzy h ALA 95 CO -0.08 0.49 -0.23 -0.07 0.00 0.00 0.00 179.25 179.37 2gzy h LEU 96 N 0.50 0.79 -0.87 0.00 3.38 -0.69 -0.44 115.31 117.98 2gzy h LEU 96 Ca 0.04 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 2gzy h LEU 96 Cb 0.92 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2gzy h LEU 96 CO 0.08 0.99 -0.55 0.06 0.09 0.00 0.00 178.44 179.11 2gzy h GLN 97 N 0.68 0.00 -0.03 1.13 -0.00 -0.69 0.14 115.11 116.34 2gzy h GLN 97 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.74 2gzy h GLN 97 Cb 0.74 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.22 2gzy h GLN 97 CO 0.06 0.55 0.00 1.49 -0.00 0.00 0.00 178.83 180.93 2gzy h GLU 98 N 0.00 0.05 -0.57 0.06 4.57 -1.06 -0.02 114.58 117.61 2gzy h GLU 98 Ca -0.01 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 2gzy h GLU 98 Cb 1.00 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.52 2gzy h GLU 98 CO 0.07 0.30 0.21 1.25 -1.18 0.00 0.00 179.01 179.66 2gzy h LEU 99 N -0.22 0.20 0.26 1.64 5.85 -0.81 -0.86 115.31 121.37 2gzy h LEU 99 Ca 0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2gzy h LEU 99 Cb 0.28 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2gzy h LEU 99 CO 0.00 0.13 -0.13 0.58 -0.34 0.00 0.00 178.44 178.69 2gzy h VAL 100 N 0.39 0.78 0.00 1.05 2.07 -0.84 -3.09 116.25 116.61 2gzy h VAL 100 Ca 0.28 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 2gzy h VAL 100 Cb 0.33 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2gzy h VAL 100 CO -0.28 0.07 -0.13 -0.55 0.02 0.00 0.00 177.57 176.69 2gzy h ASN 101 N -0.51 0.00 0.57 0.57 7.08 -0.49 0.88 115.58 123.68 2gzy h ASN 101 Ca -0.04 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.16 2gzy h ASN 101 Cb 0.38 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.62 2gzy h ASN 101 CO 0.06 0.13 -0.10 0.11 -2.08 0.00 0.00 177.43 175.55 2gzy h LYS 102 N 0.00 0.00 0.00 4.14 1.57 -1.09 -3.24 116.57 117.95 2gzy h LYS 102 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gzy h LYS 102 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2gzy h LYS 102 CO 0.02 0.10 -0.83 0.72 -0.57 0.00 0.00 179.45 178.89 2gzy n HIS 103 N -3.41 0.00 0.00 -1.35 8.25 0.15 -5.11 115.22 113.75 2gzy n HIS 103 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2gzy n HIS 103 Cb 0.27 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2gzy n HIS 103 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26