#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 -1.58 0.56 3.04 0.00 -1.26 -4.93 121.76 117.59 2gzy s ALA 2 Ca 0.00 1.52 -0.17 0.00 0.00 0.00 0.00 51.96 53.31 2gzy s ALA 2 Cb 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 2gzy s ALA 2 CO 0.00 -0.32 1.04 0.42 0.00 0.00 0.00 175.76 176.90 2gzy s ILE 3 N -0.30 3.92 0.33 0.00 1.01 -1.26 -4.66 121.20 120.25 2gzy s ILE 3 Ca -0.05 0.97 0.07 0.00 0.00 0.00 0.00 60.65 61.64 2gzy s ILE 3 Cb -0.03 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 2gzy s ILE 3 CO 0.04 -0.48 -0.03 -0.69 0.00 0.00 0.00 174.94 173.78 2gzy s VAL 4 N -2.38 1.79 0.02 2.92 1.01 0.18 -5.01 120.40 118.93 2gzy s VAL 4 Ca 0.64 -2.09 0.02 0.00 0.00 0.00 0.00 61.98 60.55 2gzy s VAL 4 Cb -0.15 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2gzy s VAL 4 CO 0.32 -0.15 -0.08 -0.54 0.00 0.00 0.00 175.10 174.66 2gzy s LYS 5 N -3.73 0.54 0.24 2.72 1.02 -1.26 -0.84 119.74 118.44 2gzy s LYS 5 Ca 0.33 -0.53 -0.08 0.00 0.02 0.00 0.00 55.97 55.71 2gzy s LYS 5 Cb 0.06 -0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 36.93 2gzy s LYS 5 CO 0.15 0.10 0.37 0.00 -0.92 0.00 0.00 175.35 175.05 2gzy s ALA 6 N -0.80 0.31 0.38 5.17 0.00 -1.07 -4.94 121.76 120.80 2gzy s ALA 6 Ca -0.04 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.77 2gzy s ALA 6 Cb -0.06 1.18 -0.03 0.00 0.00 0.00 0.00 23.12 24.21 2gzy s ALA 6 CO 0.00 -0.77 0.18 0.95 0.00 0.00 0.00 175.76 176.13 2gzy s THR 7 N -3.95 0.36 0.53 0.00 -4.23 -1.26 -4.56 115.64 102.54 2gzy s THR 7 Ca 0.28 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.16 2gzy s THR 7 Cb 0.02 -2.40 0.56 0.00 1.34 0.00 0.00 72.50 72.02 2gzy s THR 7 CO 0.11 0.00 1.78 -0.78 -0.54 0.00 0.00 174.62 175.19 2gzy h ASP 8 N 1.93 0.03 -0.54 3.99 3.58 -1.95 0.20 116.42 123.66 2gzy h ASP 8 Ca -0.32 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.19 2gzy h ASP 8 Cb 1.26 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.28 2gzy h ASP 8 CO 0.49 0.00 0.36 1.56 -2.88 0.00 0.00 179.24 178.77 2gzy h GLN 9 N 0.02 0.53 0.00 0.28 7.50 -1.98 -3.38 115.11 118.09 2gzy h GLN 9 Ca 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.73 2gzy h GLN 9 Cb 2.38 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 29.79 2gzy h GLN 9 CO -0.03 0.35 0.00 0.43 -1.50 0.00 0.00 178.83 178.08 2gzy n SER 10 N -4.47 0.00 -0.26 1.46 7.64 -0.17 -4.87 113.62 112.94 2gzy n SER 10 Ca 0.07 -0.72 0.12 0.00 1.01 0.00 0.00 58.87 59.36 2gzy n SER 10 Cb 0.20 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 63.79 2gzy n SER 10 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2gzy h PHE 11 N 0.00 0.78 -0.46 1.43 3.57 -0.86 -1.26 116.94 120.13 2gzy h PHE 11 Ca 0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2gzy h PHE 11 Cb 0.36 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2gzy h PHE 11 CO 0.00 0.29 -0.17 0.77 -2.23 0.00 0.00 178.31 176.97 2gzy h SER 12 N 0.66 0.91 -0.26 0.41 0.02 -1.83 -0.57 113.55 112.89 2gzy h SER 12 Ca 0.44 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 2gzy h SER 12 Cb 0.74 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2gzy h SER 12 CO -0.19 1.06 -0.06 0.00 -1.14 0.00 0.00 176.83 176.50 2gzy h ALA 13 N 1.01 0.35 -0.53 3.77 0.00 -1.67 -3.16 119.26 119.04 2gzy h ALA 13 Ca 0.12 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2gzy h ALA 13 Cb 0.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2gzy h ALA 13 CO 0.05 0.16 0.04 0.93 0.00 0.00 0.00 179.25 180.43 2gzy h GLU 14 N 0.24 0.86 0.00 0.00 4.39 -1.01 -2.13 114.58 116.92 2gzy h GLU 14 Ca 0.06 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.54 2gzy h GLU 14 Cb 0.53 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2gzy h GLU 14 CO 0.03 0.83 0.00 0.25 -1.16 0.00 0.00 179.01 178.96 2gzy n THR 15 N -4.22 0.06 -1.45 1.13 -2.24 -0.24 -3.89 114.28 103.41 2gzy n THR 15 Ca 0.03 0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 2gzy n THR 15 Cb 0.29 -0.60 0.14 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.08 4.27 0.00 3.42 7.64 -0.80 -0.65 113.62 126.41 2gzy n SER 16 Ca 0.17 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.31 2gzy n SER 16 Cb 0.12 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 -1.03 -0.13 -3.72 1.43 1.02 -1.25 -4.75 120.64 112.21 2gzy n GLU 17 Ca 0.48 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2gzy n GLU 17 Cb 1.11 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 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 -0.03 -0.99 3.73 0.62 0.00 -1.26 -4.95 105.19 102.32 2gzy n GLY 18 Ca 0.00 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 3.75 -0.11 1.61 1.01 -1.26 -1.09 120.40 121.33 2gzy s VAL 19 Ca 0.00 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.40 2gzy s VAL 19 Cb 0.00 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.50 2gzy s VAL 19 CO 0.00 0.21 0.00 -0.69 0.00 0.00 0.00 175.10 174.62 2gzy s VAL 20 N 0.12 0.48 -0.74 2.92 1.01 0.31 -1.13 120.40 123.37 2gzy s VAL 20 Ca 0.53 -0.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 2gzy s VAL 20 Cb -0.31 -0.71 0.08 0.00 0.00 0.00 0.00 36.38 35.44 2gzy s VAL 20 CO 0.35 0.16 1.03 -0.22 0.00 0.00 0.00 175.10 176.41 2gzy s LEU 21 N 1.92 4.47 0.40 3.92 2.96 -0.01 -0.74 118.68 131.60 2gzy s LEU 21 Ca 0.04 -1.23 -0.24 0.00 -0.22 0.00 0.00 54.13 52.47 2gzy s LEU 21 Cb -0.13 -2.42 -0.09 0.00 0.50 0.00 0.00 46.19 44.04 2gzy s LEU 21 CO -0.06 -1.37 1.04 0.00 -1.32 0.00 0.00 176.35 174.64 2gzy s ALA 22 N 3.84 3.07 -0.36 5.97 0.00 0.15 -1.32 121.76 133.11 2gzy s ALA 22 Ca 0.26 0.67 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 2gzy s ALA 22 Cb -0.13 -3.26 0.12 0.00 0.00 0.00 0.00 23.12 19.85 2gzy s ALA 22 CO 0.05 -0.19 0.17 0.34 0.00 0.00 0.00 175.76 176.13 2gzy s ASP 23 N -1.62 3.62 -0.28 0.00 2.15 -0.10 -1.41 116.67 119.02 2gzy s ASP 23 Ca 0.58 -2.04 -0.29 0.00 0.43 0.00 0.00 52.55 51.24 2gzy s ASP 23 Cb -0.21 -0.76 -0.01 0.00 -0.30 0.00 0.00 42.92 41.64 2gzy s ASP 23 CO 0.26 -0.35 1.56 -0.36 -0.17 0.00 0.00 175.17 176.11 2gzy s PHE 24 N 1.15 2.20 0.29 -5.34 0.40 0.05 -1.43 117.98 115.30 2gzy s PHE 24 Ca 0.14 0.63 0.04 0.00 -0.60 0.00 0.00 56.93 57.14 2gzy s PHE 24 Cb -0.21 -4.05 -0.04 0.00 0.51 0.00 0.00 43.02 39.24 2gzy s PHE 24 CO -0.12 -2.58 0.19 1.67 0.70 0.00 0.00 175.22 175.08 2gzy s TRP 25 N 5.37 1.55 -0.08 0.36 1.48 -0.61 -1.48 118.94 125.53 2gzy s TRP 25 Ca 0.69 -1.48 -0.17 0.00 -1.06 0.00 0.00 56.10 54.07 2gzy s TRP 25 Cb -0.21 -0.74 0.04 0.00 -1.16 0.00 0.00 33.47 31.40 2gzy s TRP 25 CO 0.29 -0.67 0.42 0.00 -4.06 0.00 0.00 176.95 172.93 2gzy s ALA 26 N -3.68 -1.05 -0.34 2.67 0.00 -1.26 -1.29 121.76 116.80 2gzy s ALA 26 Ca 0.38 0.82 0.27 0.00 0.00 0.00 0.00 51.96 53.43 2gzy s ALA 26 Cb 0.04 -0.23 0.86 0.00 0.00 0.00 0.00 23.12 23.79 2gzy s ALA 26 CO 0.20 -0.26 1.77 -1.00 0.00 0.00 0.00 175.76 176.47 2gzy h PRO 27 N 4.32 0.00 -0.00 0.00 0.13 -2.01 -2.62 132.00 131.82 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2gzy h PRO 27 CO 0.34 0.00 -0.10 -2.67 -0.23 0.00 0.00 178.00 175.34 2gzy n TRP 28 N -2.78 0.00 -3.09 1.56 2.14 -1.26 -4.79 117.44 109.22 2gzy n TRP 28 Ca 0.03 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.20 2gzy n TRP 28 Cb 0.39 -0.38 -0.05 0.00 -0.81 0.00 0.00 31.31 30.46 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 7.58 -1.28 -0.11 0.00 0.00 -1.87 -3.17 103.07 104.22 2gzy h GLY 30 Ca -0.35 0.47 0.25 0.00 0.00 0.00 0.00 47.33 47.70 2gzy h GLY 30 CO 0.77 -0.46 0.64 -2.55 0.00 0.00 0.00 176.54 174.94 2gzy h PRO 31 N -1.29 0.47 -0.47 4.80 0.11 -1.95 0.93 132.00 134.60 2gzy h PRO 31 Ca -0.12 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.98 2gzy h PRO 31 Cb 0.94 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2gzy h PRO 31 CO 0.21 0.31 0.31 0.00 -0.21 0.00 0.00 178.00 178.62 2gzy h LYS 33 N 0.55 0.20 -0.81 0.00 1.57 -0.89 -3.25 116.57 113.94 2gzy h LYS 33 Ca 0.19 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2gzy h LYS 33 Cb 0.07 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2gzy h LYS 33 CO -0.05 1.04 0.48 0.52 -0.57 0.00 0.00 179.45 180.88 2gzy h MET 34 N 0.06 1.11 0.00 3.15 2.86 -0.63 -2.17 114.93 119.30 2gzy h MET 34 Ca -0.24 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2gzy h MET 34 Cb 2.00 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 33.43 2gzy h MET 34 CO 0.15 0.78 0.00 1.51 1.06 0.00 0.00 176.91 180.41 2gzy n ILE 35 N -4.37 0.61 -0.02 -1.22 3.06 -0.25 -4.20 119.36 112.97 2gzy n ILE 35 Ca 0.09 -0.22 -0.09 0.00 -2.50 0.00 0.00 62.75 60.03 2gzy n ILE 35 Cb 0.07 -0.65 -0.03 0.00 0.54 0.00 0.00 39.64 39.57 2gzy n ILE 35 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2gzy h ALA 36 N 2.50 0.03 0.00 1.51 0.00 -1.42 0.15 119.26 122.04 2gzy h ALA 36 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2gzy h ALA 36 Cb 0.69 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2gzy h ALA 36 CO 0.00 -0.53 -0.23 -1.00 0.00 0.00 0.00 179.25 177.49 2gzy h PRO 37 N -0.09 0.00 -0.45 0.00 0.13 -1.75 -1.02 132.00 128.82 2gzy h PRO 37 Ca 0.09 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.15 2gzy h PRO 37 Cb 0.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 2gzy h PRO 37 CO -0.21 0.23 0.01 0.28 -0.23 0.00 0.00 178.00 178.07 2gzy h VAL 38 N 0.00 1.26 -0.40 1.56 2.07 -1.49 -0.55 116.25 118.70 2gzy h VAL 38 Ca -0.00 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 2gzy h VAL 38 Cb 0.42 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2gzy h VAL 38 CO 0.03 0.36 -0.07 -0.07 0.02 0.00 0.00 177.57 177.84 2gzy h LEU 39 N 0.65 0.66 -0.90 2.57 3.38 -0.53 -1.18 115.31 119.96 2gzy h LEU 39 Ca 0.13 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2gzy h LEU 39 Cb 0.49 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2gzy h LEU 39 CO 0.02 0.77 -0.08 -0.33 0.09 0.00 0.00 178.44 178.92 2gzy h GLU 40 N 0.63 0.73 -0.45 1.13 5.08 -0.79 0.11 114.58 121.00 2gzy h GLU 40 Ca 0.12 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 2gzy h GLU 40 Cb 0.50 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2gzy h GLU 40 CO 0.03 0.79 0.09 0.93 -1.00 0.00 0.00 179.01 179.85 2gzy h GLU 41 N 0.67 0.74 -0.64 2.33 5.08 -0.78 -1.36 114.58 120.62 2gzy h GLU 41 Ca 0.12 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2gzy h GLU 41 Cb 0.52 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2gzy h GLU 41 CO 0.03 0.75 0.13 1.25 -1.00 0.00 0.00 179.01 180.17 2gzy h LEU 42 N 0.61 0.97 -0.47 1.33 5.85 -0.87 -1.76 115.31 120.96 2gzy h LEU 42 Ca 0.14 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2gzy h LEU 42 Cb 0.36 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2gzy h LEU 42 CO 0.01 0.95 0.13 -0.78 -0.34 0.00 0.00 178.44 178.41 2gzy h ASP 43 N 0.97 0.70 0.09 1.25 3.58 -0.70 0.78 116.42 123.09 2gzy h ASP 43 Ca 0.20 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2gzy h ASP 43 Cb 0.38 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2gzy h ASP 43 CO 0.01 0.74 -0.08 1.56 -2.88 0.00 0.00 179.24 178.59 2gzy h GLN 44 N 0.63 0.00 0.07 0.28 4.20 -0.95 0.10 115.11 119.45 2gzy h GLN 44 Ca 0.15 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.53 2gzy h GLN 44 Cb 0.30 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2gzy h GLN 44 CO -0.00 0.08 -1.85 1.49 -0.67 0.00 0.00 178.83 177.88 2gzy h GLU 45 N 0.00 0.15 0.00 1.46 4.81 -0.71 -3.43 114.58 116.87 2gzy h GLU 45 Ca -0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 2gzy h GLU 45 Cb 0.14 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2gzy h GLU 45 CO 0.01 0.90 0.00 -1.33 -0.73 0.00 0.00 179.01 177.86 2gzy n MET 46 N -3.30 -0.14 -0.31 1.92 2.81 0.21 -4.97 117.12 113.34 2gzy n MET 46 Ca -0.25 -0.09 -0.01 0.00 -1.81 0.00 0.00 57.70 55.54 2gzy n MET 46 Cb 1.05 -0.58 -0.02 0.00 -0.71 0.00 0.00 33.22 32.96 2gzy n MET 46 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gzy n GLY 47 N 0.00 1.63 0.72 3.03 0.00 0.35 -1.28 105.19 109.66 2gzy n GLY 47 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2gzy n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gzy n ASP 48 N 1.97 0.00 0.26 1.61 2.03 -1.26 -2.04 116.55 119.13 2gzy n ASP 48 Ca 0.05 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.51 2gzy n ASP 48 Cb 0.30 0.03 0.57 0.00 -0.72 0.00 0.00 41.12 41.30 2gzy n ASP 48 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2gzy h LYS 49 N 0.00 0.00 -4.94 -0.67 1.57 -1.79 -3.45 116.57 107.29 2gzy h LYS 49 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2gzy h LYS 49 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 2gzy h LYS 49 CO 0.00 0.04 -0.74 -1.17 -0.57 0.00 0.00 179.45 177.01 2gzy s LEU 50 N -6.28 2.35 0.20 2.94 2.96 -0.40 -4.00 118.68 116.45 2gzy s LEU 50 Ca 0.02 -0.72 0.11 0.00 -0.22 0.00 0.00 54.13 53.32 2gzy s LEU 50 Cb 0.08 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 2gzy s LEU 50 CO 0.58 -0.22 -0.20 -0.75 -1.32 0.00 0.00 176.35 174.44 2gzy s LYS 51 N -2.34 1.67 -0.06 1.98 2.20 -0.29 -4.09 119.74 118.82 2gzy s LYS 51 Ca 0.01 -1.49 0.05 0.00 -0.36 0.00 0.00 55.97 54.18 2gzy s LYS 51 Cb -0.06 -1.92 -0.01 0.00 -1.51 0.00 0.00 37.83 34.34 2gzy s LYS 51 CO 0.00 0.40 -0.22 0.42 -0.36 0.00 0.00 175.35 175.60 2gzy s ILE 52 N -1.76 1.81 -0.22 5.43 1.01 -1.26 -0.83 121.20 125.37 2gzy s ILE 52 Ca 0.23 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 2gzy s ILE 52 Cb -0.08 -1.54 0.06 0.00 0.01 0.00 0.00 42.46 40.91 2gzy s ILE 52 CO 0.12 0.51 -0.02 -0.69 0.00 0.00 0.00 174.94 174.86 2gzy s VAL 53 N -0.03 1.17 0.29 2.92 1.01 -0.44 -0.65 120.40 124.67 2gzy s VAL 53 Ca -0.05 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 2gzy s VAL 53 Cb -0.13 -1.53 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 2gzy s VAL 53 CO 0.04 -0.15 1.22 -0.54 0.00 0.00 0.00 175.10 175.66 2gzy s LYS 54 N 1.56 4.48 -0.22 2.72 3.01 -0.02 -0.92 119.74 130.35 2gzy s LYS 54 Ca -0.04 2.02 -0.04 0.00 -1.01 0.00 0.00 55.97 56.91 2gzy s LYS 54 Cb -0.18 -3.14 0.10 0.00 -1.01 0.00 0.00 37.83 33.59 2gzy s LYS 54 CO -0.07 -0.04 0.22 -1.50 0.51 0.00 0.00 175.35 174.47 2gzy s ILE 55 N -0.92 -0.31 -0.33 2.17 2.07 -0.51 -2.61 121.20 120.77 2gzy s ILE 55 Ca 0.48 -0.20 -0.29 0.00 -1.41 0.00 0.00 60.65 59.23 2gzy s ILE 55 Cb -0.36 -0.73 0.01 0.00 0.13 0.00 0.00 42.46 41.51 2gzy s ILE 55 CO 0.46 -0.27 1.16 -0.62 -1.91 0.00 0.00 174.94 173.76 2gzy s ASP 56 N 2.31 6.81 0.59 4.50 -1.08 -1.26 -1.57 116.67 126.96 2gzy s ASP 56 Ca 0.07 1.06 0.30 0.00 -0.52 0.00 0.00 52.55 53.46 2gzy s ASP 56 Cb -0.16 -2.54 1.81 0.00 -1.46 0.00 0.00 42.92 40.57 2gzy s ASP 56 CO -0.16 -0.99 2.24 -0.37 0.52 0.00 0.00 175.17 176.41 2gzy h VAL 57 N 5.86 0.50 0.00 1.11 -1.51 -1.49 -1.60 116.25 119.12 2gzy h VAL 57 Ca -0.23 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2gzy h VAL 57 Cb 1.07 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2gzy h VAL 57 CO 1.04 0.02 0.00 -0.67 -1.23 0.00 0.00 177.57 176.73 2gzy n ASP 58 N -3.77 0.00 0.00 4.19 2.03 -1.26 -1.56 116.55 116.18 2gzy n ASP 58 Ca -0.03 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.74 2gzy n ASP 58 Cb 0.10 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.04 0.87 -2.74 -0.67 1.02 -0.63 -4.90 120.64 112.55 2gzy n GLU 59 Ca 0.14 -0.76 -0.04 0.00 -0.02 0.00 0.00 57.16 56.48 2gzy n GLU 59 Cb 0.08 -0.72 0.05 0.00 -0.02 0.00 0.00 31.44 30.83 2gzy n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2gzy n ASN 60 N -0.16 1.12 -0.12 1.62 3.02 -0.60 -4.80 115.26 115.34 2gzy n ASN 60 Ca 0.00 -2.36 -0.05 0.00 -0.03 0.00 0.00 54.58 52.14 2gzy n ASN 60 Cb 0.32 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2gzy n ASN 60 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2gzy h GLN 61 N 2.65 0.26 -0.12 3.52 7.50 -1.83 -0.76 115.11 126.32 2gzy h GLN 61 Ca -0.15 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 58.96 2gzy h GLN 61 Cb 1.23 -0.06 -0.00 0.00 0.05 0.00 0.00 27.48 28.70 2gzy h GLN 61 CO 0.28 0.17 -0.02 0.93 -1.50 0.00 0.00 178.83 178.69 2gzy h GLU 62 N 0.26 0.23 -0.14 1.46 3.07 -1.91 -1.29 114.58 116.27 2gzy h GLU 62 Ca 0.18 -0.09 -0.03 0.00 -0.50 0.00 0.00 59.36 58.93 2gzy h GLU 62 Cb 0.18 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2gzy h GLU 62 CO -0.20 0.52 -0.01 1.15 -1.40 0.00 0.00 179.01 179.07 2gzy h THR 63 N -0.07 1.26 -0.48 1.13 2.02 -1.91 -0.69 112.91 114.16 2gzy h THR 63 Ca 0.03 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.31 2gzy h THR 63 Cb 0.43 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2gzy h THR 63 CO 0.01 0.26 0.19 0.00 0.37 0.00 0.00 175.52 176.35 2gzy h ALA 64 N 0.75 0.63 -0.14 6.16 0.00 -1.16 -1.42 119.26 124.07 2gzy h ALA 64 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2gzy h ALA 64 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2gzy h ALA 64 CO 0.01 0.23 0.13 0.78 0.00 0.00 0.00 179.25 180.40 2gzy h GLY 65 N 0.64 0.00 1.85 0.00 0.00 -1.10 0.06 103.07 104.53 2gzy h GLY 65 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.51 2gzy h GLY 65 CO -0.01 0.00 0.06 1.70 0.00 0.00 0.00 176.54 178.28 2gzy h LYS 66 N 0.00 0.00 -0.11 4.80 3.64 0.03 -1.48 116.57 123.45 2gzy h LYS 66 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2gzy h LYS 66 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 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 -3.96 0.18 -1.55 1.91 4.01 -0.63 -4.98 117.16 112.13 2gzy n TYR 67 Ca -0.02 -0.57 -0.11 0.00 -0.16 0.00 0.00 57.90 57.05 2gzy n TYR 67 Cb 0.15 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 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 -0.32 0.86 3.78 2.72 0.00 -0.56 -5.02 105.19 106.65 2gzy n GLY 68 Ca 0.06 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.43 5.12 0.00 1.61 1.01 -0.09 -4.92 120.40 120.69 2gzy s VAL 69 Ca 0.00 0.85 0.05 0.00 0.00 0.00 0.00 61.98 62.88 2gzy s VAL 69 Cb 0.00 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.72 2gzy s VAL 69 CO 0.00 0.46 0.95 0.23 0.00 0.00 0.00 175.10 176.75 2gzy n MET 70 N 2.72 0.00 -4.03 2.72 2.81 -1.26 -2.99 117.12 117.09 2gzy n MET 70 Ca -0.11 -1.03 -0.09 0.00 -1.81 0.00 0.00 57.70 54.65 2gzy n MET 70 Cb 0.52 0.28 -0.11 0.00 -0.71 0.00 0.00 33.22 33.21 2gzy n MET 70 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2gzy s SER 71 N -1.03 0.45 0.05 7.83 0.01 -1.26 -5.17 113.70 114.58 2gzy s SER 71 Ca 0.06 -0.64 -0.06 0.00 1.31 0.00 0.00 55.95 56.62 2gzy s SER 71 Cb 0.07 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.40 2gzy s SER 71 CO -0.03 -0.36 0.10 0.27 0.41 0.00 0.00 173.24 173.64 2gzy s ILE 72 N -2.08 0.15 0.29 1.44 -0.00 -1.26 -4.16 121.20 115.58 2gzy s ILE 72 Ca -0.09 -1.23 -0.29 0.00 -0.00 0.00 0.00 60.65 59.04 2gzy s ILE 72 Cb -0.05 -1.12 -0.10 0.00 -0.00 0.00 0.00 42.46 41.19 2gzy s ILE 72 CO -0.03 -0.68 1.32 -2.16 -0.00 0.00 0.00 174.94 173.39 2gzy s PRO 73 N -3.16 4.36 -0.12 0.37 0.04 -1.26 -4.85 135.00 130.38 2gzy s PRO 73 Ca -0.00 2.18 -0.00 0.00 0.04 0.00 0.00 61.00 63.21 2gzy s PRO 73 Cb 0.02 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.48 2gzy s PRO 73 CO -0.07 -0.22 -0.07 0.99 0.04 0.00 0.00 177.00 177.67 2gzy s THR 74 N -0.68 1.01 -0.13 1.26 2.01 -0.55 -1.06 115.64 117.50 2gzy s THR 74 Ca 0.52 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.09 2gzy s THR 74 Cb -0.39 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 2gzy s THR 74 CO 0.48 0.34 0.27 -0.76 -0.69 0.00 0.00 174.62 174.26 2gzy s LEU 75 N 1.71 4.31 -0.10 4.42 1.43 0.26 -0.77 118.68 129.94 2gzy s LEU 75 Ca 0.05 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 2gzy s LEU 75 Cb -0.13 -2.34 -0.00 0.00 0.03 0.00 0.00 46.19 43.75 2gzy s LEU 75 CO -0.08 0.20 -0.23 -0.76 0.23 0.00 0.00 176.35 175.71 2gzy s LEU 76 N -0.10 2.14 -0.25 1.79 1.02 -0.50 -0.73 118.68 122.05 2gzy s LEU 76 Ca 0.17 -0.54 -0.17 0.00 0.02 0.00 0.00 54.13 53.62 2gzy s LEU 76 Cb -0.13 -1.42 -0.03 0.00 0.02 0.00 0.00 46.19 44.62 2gzy s LEU 76 CO 0.05 0.17 0.45 -0.69 0.02 0.00 0.00 176.35 176.36 2gzy s VAL 77 N 0.28 5.13 0.27 -1.59 1.01 0.02 -0.68 120.40 124.84 2gzy s VAL 77 Ca -0.16 0.77 0.09 0.00 0.00 0.00 0.00 61.98 62.67 2gzy s VAL 77 Cb -0.17 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2gzy s VAL 77 CO 0.08 0.15 0.03 -0.76 0.00 0.00 0.00 175.10 174.60 2gzy s LEU 78 N 2.00 3.26 -0.05 3.92 1.02 0.08 -0.36 118.68 128.55 2gzy s LEU 78 Ca 0.19 -0.63 -0.02 0.00 0.02 0.00 0.00 54.13 53.69 2gzy s LEU 78 Cb -0.15 -1.77 0.04 0.00 0.02 0.00 0.00 46.19 44.32 2gzy s LEU 78 CO 0.09 -0.04 0.11 -0.75 0.02 0.00 0.00 176.35 175.78 2gzy s LYS 79 N -3.71 0.04 -1.43 1.70 2.20 0.26 -0.53 119.74 118.27 2gzy s LYS 79 Ca 0.32 0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 56.08 2gzy s LYS 79 Cb -0.06 -0.21 0.16 0.00 -1.51 0.00 0.00 37.83 36.21 2gzy s LYS 79 CO 0.21 -0.17 0.52 -3.47 -0.36 0.00 0.00 175.35 172.07 2gzy n ASP 80 N 4.22 -2.29 0.00 1.43 2.03 -0.25 -2.07 116.55 119.63 2gzy n ASP 80 Ca -0.27 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.28 2gzy n ASP 80 Cb 0.51 -1.96 0.00 0.00 -0.72 0.00 0.00 41.12 38.95 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 -1.04 0.74 3.13 0.27 0.00 0.18 -4.75 105.19 103.71 2gzy n GLY 81 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.51 0.76 0.29 1.61 -1.05 -0.88 -4.91 118.70 114.01 2gzy s GLU 82 Ca 0.00 -0.82 -0.29 0.00 -0.15 0.00 0.00 54.97 53.71 2gzy s GLU 82 Cb 0.00 -0.71 -0.10 0.00 -0.44 0.00 0.00 34.13 32.88 2gzy s GLU 82 CO 0.00 0.16 1.33 0.08 0.95 0.00 0.00 175.26 177.78 2gzy s VAL 83 N -1.13 2.82 0.00 1.83 1.01 -1.26 -0.58 120.40 123.09 2gzy s VAL 83 Ca -0.03 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2gzy s VAL 83 Cb -0.09 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2gzy s VAL 83 CO 0.01 0.16 0.00 1.33 0.00 0.00 0.00 175.10 176.60 2gzy n VAL 84 N 1.46 0.00 -3.90 2.92 0.24 0.52 -4.87 118.33 114.70 2gzy n VAL 84 Ca 0.02 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.21 2gzy n VAL 84 Cb 0.42 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 2gzy n VAL 84 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2gzy s GLU 85 N -1.18 1.74 -0.00 7.34 0.41 -0.58 -4.97 118.70 121.47 2gzy s GLU 85 Ca 0.00 -1.09 -0.11 0.00 -0.41 0.00 0.00 54.97 53.36 2gzy s GLU 85 Cb 0.00 0.57 0.01 0.00 -1.78 0.00 0.00 34.13 32.93 2gzy s GLU 85 CO 0.00 -0.78 0.23 0.99 -0.49 0.00 0.00 175.26 175.21 2gzy s THR 86 N -3.87 0.07 0.10 3.63 2.01 -1.26 -0.80 115.64 115.52 2gzy s THR 86 Ca 0.15 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 2gzy s THR 86 Cb -0.04 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.89 2gzy s THR 86 CO 0.08 -0.33 0.29 -0.44 -0.69 0.00 0.00 174.62 173.53 2gzy s SER 87 N -1.45 -0.06 0.03 3.53 0.01 0.09 -4.97 113.70 110.88 2gzy s SER 87 Ca -0.13 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.71 2gzy s SER 87 Cb -0.06 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.55 2gzy s SER 87 CO 0.02 -0.76 -0.10 -0.69 0.41 0.00 0.00 173.24 172.12 2gzy s VAL 88 N -3.65 0.77 0.00 3.43 1.01 -1.26 -0.58 120.40 120.13 2gzy s VAL 88 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2gzy s VAL 88 Cb 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.68 2gzy s VAL 88 CO -0.10 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.55 2gzy n GLY 89 N 2.10 -0.88 3.75 4.51 0.00 -0.23 -4.94 105.19 109.50 2gzy n GLY 89 Ca -0.18 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.28 2.39 -0.03 1.61 2.19 -1.26 -4.86 117.98 116.74 2gzy s PHE 90 Ca 0.00 1.43 -0.05 0.00 0.33 0.00 0.00 56.93 58.63 2gzy s PHE 90 Cb 0.00 -3.68 0.01 0.00 -1.31 0.00 0.00 43.02 38.03 2gzy s PHE 90 CO 0.00 -2.57 0.13 0.15 1.83 0.00 0.00 175.22 174.76 2gzy s LYS 91 N -2.94 0.25 0.70 10.12 1.02 -1.26 -5.16 119.74 122.47 2gzy s LYS 91 Ca 0.71 -0.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.58 2gzy s LYS 91 Cb -0.37 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.06 2gzy s LYS 91 CO 0.43 -0.05 1.06 -1.25 -0.92 0.00 0.00 175.35 174.63 2gzy s PRO 92 N -0.40 2.89 0.38 -1.68 0.04 -1.26 -4.85 135.00 130.12 2gzy s PRO 92 Ca -0.05 0.98 0.06 0.00 0.04 0.00 0.00 61.00 62.03 2gzy s PRO 92 Cb -0.03 -1.98 0.77 0.00 0.04 0.00 0.00 34.50 33.29 2gzy s PRO 92 CO 0.00 -1.14 2.01 -0.22 0.04 0.00 0.00 177.00 177.69 2gzy h LYS 93 N -0.72 0.57 -0.63 4.56 3.11 -1.99 -1.37 116.57 120.10 2gzy h LYS 93 Ca -0.44 -0.05 -0.03 0.00 -2.81 0.00 0.00 60.65 57.32 2gzy h LYS 93 Cb 1.21 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.29 2gzy h LYS 93 CO 0.56 0.43 0.26 0.93 -2.81 0.00 0.00 179.45 178.83 2gzy h GLU 94 N 0.58 0.91 -0.26 1.90 4.39 -1.97 0.90 114.58 121.03 2gzy h GLU 94 Ca 0.15 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 2gzy h GLU 94 Cb 0.03 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2gzy h GLU 94 CO -0.02 0.74 -0.31 0.00 -1.16 0.00 0.00 179.01 178.26 2gzy h ALA 95 N 1.39 0.39 -0.60 3.43 0.00 -1.66 -2.50 119.26 119.71 2gzy h ALA 95 Ca 0.22 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2gzy h ALA 95 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2gzy h ALA 95 CO -0.02 0.41 0.13 -0.07 0.00 0.00 0.00 179.25 179.70 2gzy h LEU 96 N 0.39 0.91 -0.87 0.00 3.38 -0.90 0.29 115.31 118.51 2gzy h LEU 96 Ca 0.04 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 2gzy h LEU 96 Cb 0.88 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2gzy h LEU 96 CO 0.07 0.92 -0.50 0.06 0.09 0.00 0.00 178.44 179.08 2gzy h GLN 97 N 0.87 0.16 -0.03 1.13 -0.00 -0.88 0.11 115.11 116.48 2gzy h GLN 97 Ca 0.19 -0.09 -0.00 0.00 -0.00 0.00 0.00 58.65 58.74 2gzy h GLN 97 Cb 0.37 0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.86 2gzy h GLN 97 CO 0.00 0.63 0.00 1.49 -0.00 0.00 0.00 178.83 180.96 2gzy h GLU 98 N 0.13 0.05 -0.72 0.06 4.57 -1.07 -0.00 114.58 117.59 2gzy h GLU 98 Ca 0.00 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 2gzy h GLU 98 Cb 0.93 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.46 2gzy h GLU 98 CO 0.07 0.30 0.41 1.25 -1.18 0.00 0.00 179.01 179.86 2gzy h LEU 99 N -0.22 0.62 -0.04 1.64 5.85 -0.66 -1.20 115.31 121.30 2gzy h LEU 99 Ca 0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2gzy h LEU 99 Cb 0.28 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2gzy h LEU 99 CO 0.00 0.39 -0.02 0.58 -0.34 0.00 0.00 178.44 179.06 2gzy h VAL 100 N 0.75 1.32 0.00 1.05 2.07 -0.89 -3.21 116.25 117.35 2gzy h VAL 100 Ca 0.32 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2gzy h VAL 100 Cb 0.20 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2gzy h VAL 100 CO -0.19 0.27 -0.13 -0.55 0.02 0.00 0.00 177.57 176.99 2gzy h ASN 101 N -0.30 0.00 0.41 0.57 7.08 -0.48 0.15 115.58 123.00 2gzy h ASN 101 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 2gzy h ASN 101 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 2gzy h ASN 101 CO 0.01 0.13 0.00 0.11 -2.08 0.00 0.00 177.43 175.60 2gzy h LYS 102 N 0.00 0.00 0.00 4.14 1.79 -1.23 -3.19 116.57 118.08 2gzy h LYS 102 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2gzy h LYS 102 Cb 0.32 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2gzy h LYS 102 CO 0.02 0.00 -0.33 0.72 -1.08 0.00 0.00 179.45 178.78 2gzy n HIS 103 N -2.62 0.00 0.00 -1.35 8.25 0.36 -5.11 115.22 114.75 2gzy n HIS 103 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2gzy n HIS 103 Cb 0.15 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2gzy n HIS 103 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26