#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza n SER 2 N 0.00 3.33 -2.04 1.61 2.88 -1.26 -0.63 113.62 117.51 1zza n SER 2 Ca 0.00 1.02 -0.10 0.00 -1.33 0.00 0.00 58.87 58.47 1zza n SER 2 Cb 0.00 -1.40 -0.02 0.00 -0.75 0.00 0.00 64.21 62.04 1zza n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1zza n MET 3 N 5.20 -1.98 -3.14 -1.46 0.00 -1.26 -4.84 117.12 109.65 1zza n MET 3 Ca 0.20 0.50 -0.13 0.00 0.00 0.00 0.00 57.70 58.26 1zza n MET 3 Cb 0.30 -4.93 -0.04 0.00 0.00 0.00 0.00 33.22 28.54 1zza n MET 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1zza s SER 4 N -1.95 0.01 1.37 7.83 1.04 0.20 -5.15 113.70 117.04 1zza s SER 4 Ca 0.00 -1.97 -0.22 0.00 0.48 0.00 0.00 55.95 54.24 1zza s SER 4 Cb 0.00 0.91 0.34 0.00 0.10 0.00 0.00 66.02 67.37 1zza s SER 4 CO 0.00 -0.15 0.76 2.30 0.98 0.00 0.00 173.24 177.14 1zza n ILE 5 N 3.40 0.00 0.00 -1.02 -6.64 -1.26 0.25 119.36 114.10 1zza n ILE 5 Ca 0.19 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 61.15 1zza n ILE 5 Cb 0.51 -0.87 0.00 0.00 -1.44 0.00 0.00 39.64 37.84 1zza n ILE 5 CO 0.00 0.00 0.00 0.80 -1.77 0.00 0.00 176.55 175.58 1zza n MET 6 N -4.86 0.00 0.00 6.28 0.00 -1.26 -4.44 117.12 112.84 1zza n MET 6 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1zza n MET 6 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.75 1zza n MET 6 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1zza n ASP 7 N 0.77 0.00 0.00 6.12 2.03 -1.24 -2.03 116.55 122.19 1zza n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1zza n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1zza n ASP 7 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1zza n HIS 8 N 0.00 0.00 -3.58 -0.67 8.25 -1.26 -4.92 115.22 113.04 1zza n HIS 8 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 1zza n HIS 8 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1zza n SER 9 N -0.00 -5.72 -3.31 0.41 2.88 -0.86 -4.70 113.62 102.31 1zza n SER 9 Ca 0.00 -0.71 -0.27 0.00 -1.33 0.00 0.00 58.87 56.56 1zza n SER 9 Cb 0.12 -2.77 -0.03 0.00 -0.75 0.00 0.00 64.21 60.77 1zza n SER 9 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1zza n PRO 10 N -2.43 1.46 -0.35 -1.46 -0.04 -1.26 -4.63 135.00 126.29 1zza n PRO 10 Ca -0.22 -1.41 0.03 0.00 -0.04 0.00 0.00 63.50 61.86 1zza n PRO 10 Cb 0.63 -2.53 0.20 0.00 -0.04 0.00 0.00 33.50 31.76 1zza n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zza h THR 11 N 3.95 1.09 -0.62 0.52 1.03 -1.98 1.01 112.91 117.91 1zza h THR 11 Ca 0.38 -0.39 -0.04 0.00 -0.01 0.00 0.00 66.41 66.35 1zza h THR 11 Cb 0.33 -0.15 -0.03 0.00 -1.07 0.00 0.00 68.15 67.23 1zza h THR 11 CO 1.58 0.21 0.21 0.71 -0.01 0.00 0.00 175.52 178.22 1zza h THR 12 N 1.14 1.24 0.05 0.00 1.35 -1.98 0.46 112.91 115.16 1zza h THR 12 Ca 0.42 -0.80 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1zza h THR 12 Cb 0.17 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1zza h THR 12 CO -0.16 0.31 -0.03 1.23 -0.25 0.00 0.00 175.52 176.62 1zza h GLY 13 N 0.87 -0.07 0.69 5.82 0.00 -1.60 0.20 103.07 108.98 1zza h GLY 13 Ca 0.20 0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.63 1zza h GLY 13 CO -0.01 -0.03 0.61 -2.08 0.00 0.00 0.00 176.54 175.03 1zza h VAL 14 N -0.63 1.05 -0.28 4.60 2.07 0.11 0.89 116.25 124.06 1zza h VAL 14 Ca -0.01 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 67.00 1zza h VAL 14 Cb 0.55 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1zza h VAL 14 CO 0.01 0.20 -0.37 0.58 0.02 0.00 0.00 177.57 178.01 1zza h VAL 15 N 1.08 1.30 -0.17 2.57 2.07 -0.05 -1.22 116.25 121.84 1zza h VAL 15 Ca 0.43 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.42 1zza h VAL 15 Cb 0.22 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1zza h VAL 15 CO -0.19 0.50 -0.01 0.74 0.02 0.00 0.00 177.57 178.63 1zza h THR 16 N 0.49 0.87 -0.34 2.57 2.02 0.43 0.16 112.91 119.10 1zza h THR 16 Ca 0.03 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 1zza h THR 16 Cb 0.96 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1zza h THR 16 CO 0.09 0.01 -0.04 -0.37 0.37 0.00 0.00 175.52 175.57 1zza h VAL 17 N 0.04 1.27 -0.00 3.16 -1.51 -0.83 -0.67 116.25 117.70 1zza h VAL 17 Ca 0.08 -1.06 -0.06 0.00 -1.23 0.00 0.00 66.70 64.43 1zza h VAL 17 Cb 0.11 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1zza h VAL 17 CO -0.15 0.35 -0.31 0.16 -1.23 0.00 0.00 177.57 176.39 1zza h ILE 18 N 0.43 1.22 0.09 7.19 3.07 -0.97 0.47 117.51 129.01 1zza h ILE 18 Ca 0.09 -1.05 -0.00 0.00 1.55 0.00 0.00 64.86 65.45 1zza h ILE 18 Cb 0.52 1.57 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1zza h ILE 18 CO 0.03 0.30 -0.04 0.58 -1.05 0.00 0.00 178.15 177.96 1zza h VAL 19 N 0.00 1.17 -0.46 0.16 2.07 -0.43 0.47 116.25 119.23 1zza h VAL 19 Ca -0.00 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1zza h VAL 19 Cb 0.54 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1zza h VAL 19 CO 0.04 0.26 0.03 0.16 0.02 0.00 0.00 177.57 178.09 1zza h ILE 20 N -0.65 1.23 -0.17 4.57 3.07 -0.94 0.27 117.51 124.89 1zza h ILE 20 Ca -0.01 -0.89 -0.03 0.00 1.55 0.00 0.00 64.86 65.48 1zza h ILE 20 Cb 0.52 0.84 -0.01 0.00 -0.27 0.00 0.00 36.82 37.91 1zza h ILE 20 CO 0.02 0.32 -0.00 -0.07 -1.05 0.00 0.00 178.15 177.36 1zza h LEU 21 N 0.69 0.30 -0.83 0.16 3.38 -0.02 0.40 115.31 119.39 1zza h LEU 21 Ca 0.14 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1zza h LEU 21 Cb 0.37 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1zza h LEU 21 CO 0.01 0.54 0.51 0.40 0.09 0.00 0.00 178.44 179.99 1zza h ILE 22 N 0.05 1.23 -0.28 1.22 1.08 0.33 0.27 117.51 121.40 1zza h ILE 22 Ca 0.05 -0.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.99 1zza h ILE 22 Cb 0.39 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 1zza h ILE 22 CO 0.01 0.24 0.07 0.00 -0.69 0.00 0.00 178.15 177.78 1zza h ALA 23 N 1.27 0.37 -0.46 1.87 0.00 -0.22 0.45 119.26 122.54 1zza h ALA 23 Ca 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1zza h ALA 23 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1zza h ALA 23 CO -0.06 0.03 0.27 0.82 0.00 0.00 0.00 179.25 180.31 1zza h ILE 24 N 0.29 1.15 -0.39 0.00 2.04 0.34 0.47 117.51 121.41 1zza h ILE 24 Ca 0.09 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1zza h ILE 24 Cb 0.28 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1zza h ILE 24 CO 0.00 0.16 0.13 0.00 0.00 0.00 0.00 178.15 178.44 1zza h ALA 25 N 1.12 0.51 -0.73 1.87 0.00 -0.24 0.32 119.26 122.11 1zza h ALA 25 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1zza h ALA 25 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1zza h ALA 25 CO -0.03 0.15 0.36 0.00 0.00 0.00 0.00 179.25 179.73 1zza h ALA 26 N 0.98 0.94 0.23 0.00 0.00 0.27 0.30 119.26 121.98 1zza h ALA 26 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1zza h ALA 26 Cb 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1zza h ALA 26 CO -0.01 0.50 -0.11 1.25 0.00 0.00 0.00 179.25 180.88 1zza h LEU 27 N 1.02 -0.26 -0.70 0.00 7.12 0.34 0.52 115.31 123.34 1zza h LEU 27 Ca 0.25 -0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.29 1zza h LEU 27 Cb 0.11 0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 40.24 1zza h LEU 27 CO -0.03 -0.11 0.36 1.23 -0.13 0.00 0.00 178.44 179.76 1zza h GLY 28 N -0.41 1.05 1.05 3.75 0.00 -0.01 0.34 103.07 108.84 1zza h GLY 28 Ca -0.03 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1zza h GLY 28 CO 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 176.54 176.67 1zza h ALA 29 N 1.41 0.74 -0.85 3.60 0.00 -0.03 0.33 119.26 124.45 1zza h ALA 29 Ca 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1zza h ALA 29 Cb 0.33 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1zza h ALA 29 CO -0.25 0.57 0.41 -0.07 0.00 0.00 0.00 179.25 179.91 1zza h LEU 30 N 0.85 1.12 -0.02 0.00 3.38 0.13 0.35 115.31 121.11 1zza h LEU 30 Ca 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1zza h LEU 30 Cb 0.55 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1zza h LEU 30 CO 0.03 0.94 -0.04 0.40 0.09 0.00 0.00 178.44 179.86 1zza h ILE 31 N 1.22 1.43 -0.46 1.22 1.08 -0.06 -0.21 117.51 121.72 1zza h ILE 31 Ca 0.29 -1.33 0.04 0.00 -0.39 0.00 0.00 64.86 63.47 1zza h ILE 31 Cb 0.12 2.27 -0.04 0.00 -3.07 0.00 0.00 36.82 36.10 1zza h ILE 31 CO -0.04 0.35 0.24 0.25 -0.69 0.00 0.00 178.15 178.27 1zza h LEU 32 N -0.46 0.35 -0.15 1.44 6.46 -0.16 0.16 115.31 122.95 1zza h LEU 32 Ca 0.00 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1zza h LEU 32 Cb 0.60 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1zza h LEU 32 CO 0.01 0.25 0.06 1.23 -0.62 0.00 0.00 178.44 179.37 1zza h GLY 33 N 0.47 0.24 0.85 3.75 0.00 -0.32 0.34 103.07 108.40 1zza h GLY 33 Ca 0.20 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1zza h GLY 33 CO -0.13 0.12 0.24 0.00 0.00 0.00 0.00 176.54 176.77 1zza h TRP 35 N 0.48 -0.49 0.00 0.00 2.91 -0.51 -3.08 115.95 115.25 1zza h TRP 35 Ca 0.18 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1zza h TRP 35 Cb 0.04 0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.86 1zza h TRP 35 CO -0.08 -0.18 0.00 0.00 -1.03 0.00 0.00 178.44 177.15 1zza n TYR 37 N 0.00 -2.72 -0.11 0.00 9.36 -1.26 -5.02 117.16 117.42 1zza n TYR 37 Ca 0.00 0.61 -0.17 0.00 3.32 0.00 0.00 57.90 61.66 1zza n TYR 37 Cb 0.00 1.63 -0.06 0.00 -0.63 0.00 0.00 39.34 40.27 1zza n TYR 37 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1zza n LEU 38 N -3.02 1.92 0.00 2.98 4.77 -1.22 -5.05 117.00 117.38 1zza n LEU 38 Ca 0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1zza n LEU 38 Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1zza n LEU 38 CO 0.00 0.06 0.00 0.54 -1.33 0.00 0.00 177.39 176.66 1zza n ARG 39 N -4.41 0.00 -3.37 3.23 1.74 -1.20 -5.03 116.66 107.63 1zza n ARG 39 Ca -0.29 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.52 1zza n ARG 39 Cb 0.63 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.99 1zza n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1zza n LEU 40 N 0.00 2.88 0.19 0.55 4.77 -1.26 -3.31 117.00 120.82 1zza n LEU 40 Ca 0.00 -5.26 0.11 0.00 -0.03 0.00 0.00 56.01 50.83 1zza n LEU 40 Cb 0.00 -0.35 0.61 0.00 -2.33 0.00 0.00 43.42 41.35 1zza n LEU 40 CO 0.00 2.06 0.87 -0.61 -1.33 0.00 0.00 177.39 178.38 1zza h GLN 41 N 4.13 0.00 0.58 3.23 5.75 -1.63 0.47 115.11 127.64 1zza h GLN 41 Ca 0.17 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.64 1zza h GLN 41 Cb 0.71 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.27 1zza h GLN 41 CO 0.75 0.00 -0.28 -0.09 -2.65 0.00 0.00 178.83 176.56 1zza h ARG 42 N 0.00 -0.75 -0.02 1.69 9.65 -1.91 -3.17 114.38 119.87 1zza h ARG 42 Ca 0.00 0.05 -0.13 0.00 -1.10 0.00 0.00 59.98 58.80 1zza h ARG 42 Cb 0.15 0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1zza h ARG 42 CO 0.00 -0.50 -0.59 -0.84 2.80 0.00 0.00 179.97 180.85 1zza h ILE 43 N -0.96 1.41 -3.32 1.20 3.07 -1.91 -3.48 117.51 113.52 1zza h ILE 43 Ca -0.08 -1.99 0.00 0.00 1.55 0.00 0.00 64.86 64.34 1zza h ILE 43 Cb 0.59 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 39.18 1zza h ILE 43 CO 0.13 0.57 -0.21 -0.24 -1.05 0.00 0.00 178.15 177.35 1zza n SER 44 N -3.86 -2.18 -4.80 2.16 2.88 0.13 -5.07 113.62 102.88 1zza n SER 44 Ca -0.02 0.21 -0.32 0.00 -1.33 0.00 0.00 58.87 57.42 1zza n SER 44 Cb 0.59 -1.67 -0.06 0.00 -0.75 0.00 0.00 64.21 62.32 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza s GLN 45 N -0.68 3.09 0.00 -1.46 -2.07 -1.25 -5.04 119.66 112.25 1zza s GLN 45 Ca -0.03 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.00 1zza s GLN 45 Cb 0.00 -2.87 0.00 0.00 -1.09 0.00 0.00 33.01 29.05 1zza s GLN 45 CO 0.12 0.63 0.00 -1.13 -1.32 0.00 0.00 175.29 173.59 1zza n SER 46 N 0.93 0.00 -1.06 12.60 3.41 -1.26 -4.96 113.62 123.28 1zza n SER 46 Ca -0.11 0.10 0.10 0.00 -0.26 0.00 0.00 58.87 58.70 1zza n SER 46 Cb 0.52 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1zza n SER 46 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1zza n GLU 47 N -1.74 -1.50 0.04 4.33 2.13 -1.26 -4.52 120.64 118.12 1zza n GLU 47 Ca 0.00 0.99 -0.21 0.00 0.66 0.00 0.00 57.16 58.60 1zza n GLU 47 Cb 0.00 -1.83 -0.14 0.00 0.27 0.00 0.00 31.44 29.73 1zza n GLU 47 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1zza h ASP 48 N -0.69 0.47 -4.07 4.31 3.32 -2.06 -3.51 116.42 114.19 1zza h ASP 48 Ca 0.02 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.15 1zza h ASP 48 Cb 0.68 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1zza h ASP 48 CO 0.01 1.50 -0.63 1.21 -1.72 0.00 0.00 179.24 179.60 1zza n GLU 49 N -4.02 -3.23 -2.21 3.56 0.00 -1.26 -4.64 120.64 108.84 1zza n GLU 49 Ca -0.18 2.39 -0.43 0.00 0.00 0.00 0.00 57.16 58.95 1zza n GLU 49 Cb 0.87 -2.68 0.00 0.00 0.00 0.00 0.00 31.44 29.63 1zza n GLU 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1zza n GLU 50 N -0.76 3.29 0.15 5.31 2.13 -1.26 -4.15 120.64 125.34 1zza n GLU 50 Ca 0.00 -3.22 0.00 0.00 0.66 0.00 0.00 57.16 54.60 1zza n GLU 50 Cb 0.00 -3.12 0.00 0.00 0.27 0.00 0.00 31.44 28.59 1zza n GLU 50 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1zza n SER 51 N 5.24 -2.00 -0.25 4.31 3.41 -1.26 -4.90 113.62 118.17 1zza n SER 51 Ca 0.45 0.55 0.20 0.00 -0.26 0.00 0.00 58.87 59.81 1zza n SER 51 Cb 0.39 2.01 0.53 0.00 -0.26 0.00 0.00 64.21 66.88 1zza n SER 51 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1zza h ILE 52 N 0.00 0.64 -0.52 -1.33 3.07 -1.82 0.83 117.51 118.39 1zza h ILE 52 Ca 0.00 -0.13 0.15 0.00 1.55 0.00 0.00 64.86 66.43 1zza h ILE 52 Cb 0.00 0.24 -0.02 0.00 -0.27 0.00 0.00 36.82 36.77 1zza h ILE 52 CO 0.00 0.07 0.38 1.62 -1.05 0.00 0.00 178.15 179.17 1zza h VAL 53 N 0.37 0.70 0.00 0.16 3.04 -1.90 -3.45 116.25 115.17 1zza h VAL 53 Ca 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.18 1zza h VAL 53 Cb 1.27 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1zza h VAL 53 CO -0.18 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 176.99 1zza n GLY 54 N -1.63 1.98 3.85 3.17 0.00 0.28 -4.98 105.19 107.87 1zza n GLY 54 Ca 0.09 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1zza n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zza s ASP 55 N 0.10 6.59 0.13 1.61 -1.08 -1.26 -4.88 116.67 117.87 1zza s ASP 55 Ca 0.00 1.47 0.00 0.00 -0.52 0.00 0.00 52.55 53.50 1zza s ASP 55 Cb 0.00 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1zza s ASP 55 CO 0.00 -0.56 0.00 0.61 0.52 0.00 0.00 175.17 175.74 1zza n GLY 56 N -1.57 -1.35 0.11 2.66 0.00 -1.26 -4.84 105.19 98.93 1zza n GLY 56 Ca 0.06 0.46 0.01 0.00 0.00 0.00 0.00 46.02 46.55 1zza n GLY 56 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1zza n GLU 57 N -3.00 -0.04 -1.60 1.61 0.00 -1.26 -5.05 120.64 111.30 1zza n GLU 57 Ca 0.00 -0.82 -0.44 0.00 0.00 0.00 0.00 57.16 55.90 1zza n GLU 57 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 31.44 30.38 1zza n GLU 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1zza n THR 58 N 0.08 2.01 -1.91 3.84 -1.04 -1.26 -4.87 114.28 111.13 1zza n THR 58 Ca 0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.11 1zza n THR 58 Cb 0.10 -1.06 -0.02 0.00 -1.82 0.00 0.00 70.33 67.53 1zza n THR 58 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1zza s LYS 59 N -1.61 4.21 -1.11 -2.82 2.20 -1.26 -3.18 119.74 116.17 1zza s LYS 59 Ca 0.58 2.41 -0.23 0.00 -0.36 0.00 0.00 55.97 58.38 1zza s LYS 59 Cb -0.68 -3.09 0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1zza s LYS 59 CO 0.60 -0.53 0.74 0.39 -0.36 0.00 0.00 175.35 176.19 1zza n GLU 60 N 2.62 -0.92 0.04 4.03 4.71 -1.26 -4.87 120.64 124.99 1zza n GLU 60 Ca 0.09 0.41 -0.06 0.00 -0.01 0.00 0.00 57.16 57.59 1zza n GLU 60 Cb 0.39 -3.47 0.13 0.00 -1.01 0.00 0.00 31.44 27.48 1zza n GLU 60 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1zza h PRO 61 N -1.88 0.40 0.00 3.49 0.13 -1.93 -3.46 132.00 128.76 1zza h PRO 61 Ca -0.65 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 1zza h PRO 61 Cb 1.36 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1zza h PRO 61 CO 0.47 0.80 0.00 0.34 -0.23 0.00 0.00 178.00 179.38 1zza n PHE 62 N -3.98 0.00 0.08 1.56 7.35 -1.26 -3.86 117.46 117.36 1zza n PHE 62 Ca -0.02 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.72 1zza n PHE 62 Cb 0.55 0.00 0.48 0.00 0.35 0.00 0.00 39.48 40.86 1zza n PHE 62 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1zza h LEU 63 N 0.00 0.32 -0.08 -2.13 8.10 -1.98 0.33 115.31 119.88 1zza h LEU 63 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1zza h LEU 63 Cb 0.00 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.14 1zza h LEU 63 CO 0.00 0.25 0.01 0.25 -4.11 0.00 0.00 178.44 174.83 1zza h LEU 64 N 0.38 0.13 -1.03 0.17 5.85 -1.96 0.16 115.31 119.01 1zza h LEU 64 Ca 0.10 -0.29 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1zza h LEU 64 Cb -0.02 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1zza h LEU 64 CO -0.02 0.38 -0.26 0.58 -0.34 0.00 0.00 178.44 178.79 1zza h VAL 65 N -0.13 1.26 0.82 1.05 2.07 -1.74 0.69 116.25 120.26 1zza h VAL 65 Ca 0.02 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1zza h VAL 65 Cb 0.32 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1zza h VAL 65 CO 0.00 0.38 -0.39 1.56 0.02 0.00 0.00 177.57 179.14 1zza h GLN 66 N 0.34 -1.06 -0.71 1.57 1.08 -0.01 0.53 115.11 116.86 1zza h GLN 66 Ca 0.05 0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 1zza h GLN 66 Cb 0.64 0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.28 1zza h GLN 66 CO 0.05 -0.70 0.30 -0.92 -0.95 0.00 0.00 178.83 176.60 1zza h TYR 67 N -1.14 1.06 -0.83 2.96 3.20 -0.57 0.88 116.97 122.54 1zza h TYR 67 Ca -0.11 -0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.81 1zza h TYR 67 Cb 0.85 -0.32 -0.08 0.00 1.54 0.00 0.00 36.73 38.72 1zza h TYR 67 CO -0.01 0.81 0.44 1.03 -1.64 0.00 0.00 178.16 178.79 1zza h SER 68 N 1.00 0.57 -0.13 -2.11 0.87 0.65 0.31 113.55 114.72 1zza h SER 68 Ca 0.24 0.07 -0.19 0.00 -1.23 0.00 0.00 61.79 60.68 1zza h SER 68 Cb 0.19 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1zza h SER 68 CO -0.02 0.28 -0.63 0.00 -0.53 0.00 0.00 176.83 175.94 1zza h ALA 69 N 1.51 0.49 0.13 6.23 0.00 0.85 -3.25 119.26 125.21 1zza h ALA 69 Ca 0.43 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1zza h ALA 69 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1zza h ALA 69 CO -0.31 0.69 -0.13 0.87 0.00 0.00 0.00 179.25 180.37 1zza h LYS 70 N 0.55 -0.28 -0.12 0.00 1.79 0.14 -0.13 116.57 118.52 1zza h LYS 70 Ca -0.01 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1zza h LYS 70 Cb 1.22 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1zza h LYS 70 CO 0.13 -0.19 -0.07 0.41 -1.08 0.00 0.00 179.45 178.65 1zza n GLY 71 N -1.26 -2.24 0.29 3.86 0.00 0.87 0.30 105.19 107.01 1zza n GLY 71 Ca -0.07 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 1zza n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zza h PRO 72 N 0.00 0.89 -0.80 1.61 0.13 -1.68 0.61 132.00 132.76 1zza h PRO 72 Ca 0.02 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1zza h PRO 72 Cb 0.05 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.07 1zza h PRO 72 CO -0.11 0.94 0.41 0.00 -0.23 0.00 0.00 178.00 179.01 1zza h VAL 74 N 1.12 1.56 -0.90 0.00 2.07 0.49 -0.60 116.25 119.99 1zza h VAL 74 Ca 0.28 -1.89 0.06 0.00 0.82 0.00 0.00 66.70 65.96 1zza h VAL 74 Cb 0.08 2.77 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 1zza h VAL 74 CO -0.04 0.51 0.57 -0.08 0.02 0.00 0.00 177.57 178.55 1zza h GLU 75 N -0.56 1.01 -0.22 1.57 4.22 0.35 0.45 114.58 121.40 1zza h GLU 75 Ca -0.02 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.33 1zza h GLU 75 Cb 0.93 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1zza h GLU 75 CO 0.04 0.67 0.02 -0.09 -2.18 0.00 0.00 179.01 177.47 1zza h ARG 76 N 1.04 0.37 -0.72 1.92 2.43 0.16 0.39 114.38 119.97 1zza h ARG 76 Ca 0.38 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1zza h ARG 76 Cb 0.14 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1zza h ARG 76 CO -0.16 0.53 0.22 0.87 -1.51 0.00 0.00 179.97 179.91 1zza h LYS 77 N 0.15 1.12 -0.13 0.20 1.79 -0.30 0.53 116.57 119.93 1zza h LYS 77 Ca 0.06 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.24 1zza h LYS 77 Cb 0.35 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1zza h LYS 77 CO 0.01 0.96 -0.13 0.00 -1.08 0.00 0.00 179.45 179.20 1zza h ALA 78 N 1.16 0.19 -0.36 3.86 0.00 0.04 -0.16 119.26 123.98 1zza h ALA 78 Ca 0.23 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1zza h ALA 78 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1zza h ALA 78 CO -0.01 0.05 -0.37 1.57 0.00 0.00 0.00 179.25 180.49 1zza h LYS 79 N -0.08 0.85 -0.69 0.00 2.10 -0.10 0.54 116.57 119.19 1zza h LYS 79 Ca 0.02 -0.44 -0.07 0.00 -2.00 0.00 0.00 60.65 58.16 1zza h LYS 79 Cb 0.65 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.96 1zza h LYS 79 CO 0.03 1.08 0.15 1.25 -2.00 0.00 0.00 179.45 179.96 1zza h LEU 80 N 0.70 1.05 0.04 7.07 5.85 0.07 -2.92 115.31 127.16 1zza h LEU 80 Ca 0.06 -0.23 -0.28 0.00 0.84 0.00 0.00 57.88 58.27 1zza h LEU 80 Cb 0.94 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 41.72 1zza h LEU 80 CO 0.09 1.02 -1.15 -0.03 -0.34 0.00 0.00 178.44 178.03 1zza h MET 81 N 1.05 0.58 -5.32 1.25 4.05 -0.87 -3.50 114.93 112.17 1zza h MET 81 Ca 0.21 -0.72 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1zza h MET 81 Cb 0.39 0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 1zza h MET 81 CO 0.01 1.31 -1.05 2.41 0.23 0.00 0.00 176.91 179.82 1zza n THR 82 N -3.78-10.57 1.09 -0.77 -1.04 0.19 -4.81 114.28 94.58 1zza n THR 82 Ca -0.11 1.74 0.00 0.00 -2.04 0.00 0.00 64.05 63.64 1zza n THR 82 Cb 0.94 -6.27 0.00 0.00 -1.82 0.00 0.00 70.33 63.18 1zza n THR 82 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1zza n PRO 83 N 0.94 0.74 -0.58 -2.82 -0.04 -1.26 -4.13 135.00 127.84 1zza n PRO 83 Ca -0.05 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.35 1zza n PRO 83 Cb 0.14 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 1zza n PRO 83 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1zza n ASN 84 N -0.17 3.31 -3.46 3.54 5.15 -1.26 -4.56 115.26 117.82 1zza n ASN 84 Ca 0.00 -2.08 -0.21 0.00 -0.60 0.00 0.00 54.58 51.69 1zza n ASN 84 Cb 0.10 -0.87 0.06 0.00 -0.53 0.00 0.00 39.78 38.54 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zza n GLY 85 N 2.54 -0.89 0.27 8.20 0.00 -1.26 -4.59 105.19 109.46 1zza n GLY 85 Ca 0.23 0.42 0.14 0.00 0.00 0.00 0.00 46.02 46.81 1zza n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zza h PRO 86 N -1.52 0.00 0.00 1.61 0.13 -1.80 0.86 132.00 131.28 1zza h PRO 86 Ca -0.62 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.46 1zza h PRO 86 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1zza h PRO 86 CO 0.48 0.09 -0.24 0.93 -0.23 0.00 0.00 178.00 179.03 1zza h GLU 87 N 0.00 0.00 0.00 0.86 3.07 -1.93 0.43 114.58 117.01 1zza h GLU 87 Ca -0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 1zza h GLU 87 Cb 0.28 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.12 1zza h GLU 87 CO 0.01 0.24 -2.38 0.28 -1.40 0.00 0.00 179.01 175.76 1zza n VAL 88 N -3.96 1.38 -0.07 3.13 0.31 -0.25 -4.64 118.33 114.23 1zza n VAL 88 Ca -0.02 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.47 1zza n VAL 88 Cb 0.32 -0.84 -0.10 0.00 -0.91 0.00 0.00 33.84 32.31 1zza n VAL 88 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1zza h HIS 89 N 0.00 0.00 0.00 3.52 6.17 0.77 -3.52 115.15 122.09 1zza h HIS 89 Ca -0.54 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.54 1zza h HIS 89 Cb 2.07 0.00 0.00 0.00 2.52 0.00 0.00 27.41 32.00 1zza h HIS 89 CO 0.01 0.83 0.00 0.41 0.71 0.00 0.00 177.93 179.89