#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza s SER 2 N 0.00 7.46 -1.18 1.61 0.15 -1.26 -4.59 113.70 115.89 1zza s SER 2 Ca 0.00 1.97 -0.12 0.00 0.70 0.00 0.00 55.95 58.51 1zza s SER 2 Cb 0.00 -2.60 0.22 0.00 -1.71 0.00 0.00 66.02 61.92 1zza s SER 2 CO 0.00 0.02 1.31 0.23 1.20 0.00 0.00 173.24 176.00 1zza n MET 3 N 1.11 3.44 0.00 5.44 2.81 -1.26 -4.77 117.12 123.89 1zza n MET 3 Ca -0.00 -4.10 0.00 0.00 -1.81 0.00 0.00 57.70 51.79 1zza n MET 3 Cb 0.48 -2.84 0.00 0.00 -0.71 0.00 0.00 33.22 30.15 1zza n MET 3 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1zza n SER 4 N 4.42 0.00 -2.62 7.83 2.88 -1.26 -4.70 113.62 120.17 1zza n SER 4 Ca 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1zza n SER 4 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1zza n ILE 5 N 0.00 0.00 -3.13 2.46 -6.64 -1.26 -5.01 119.36 105.78 1zza n ILE 5 Ca 0.00 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.73 1zza n ILE 5 Cb 0.00 -0.69 -0.05 0.00 -1.44 0.00 0.00 39.64 37.46 1zza n ILE 5 CO 0.00 0.00 0.00 0.23 -1.77 0.00 0.00 176.55 175.01 1zza n MET 6 N 0.00 2.50 -0.07 6.28 2.81 -1.26 -4.78 117.12 122.60 1zza n MET 6 Ca 0.00 -4.46 -0.06 0.00 -1.81 0.00 0.00 57.70 51.37 1zza n MET 6 Cb 0.00 -2.08 0.12 0.00 -0.71 0.00 0.00 33.22 30.55 1zza n MET 6 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1zza h ASP 7 N 3.40 0.73 -0.08 7.83 2.03 -1.91 -2.23 116.42 126.20 1zza h ASP 7 Ca 0.14 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 1zza h ASP 7 Cb 0.65 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1zza h ASP 7 CO 0.75 0.92 0.00 1.41 -1.03 0.00 0.00 179.24 181.28 1zza n HIS 8 N -4.13 0.24 -4.30 4.15 8.25 -1.26 -4.82 115.22 113.35 1zza n HIS 8 Ca 0.00 -0.09 -0.23 0.00 -0.26 0.00 0.00 57.72 57.14 1zza n HIS 8 Cb 0.40 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 1zza n HIS 8 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1zza s SER 9 N -0.28 4.49 0.00 0.41 1.04 -0.84 -4.95 113.70 113.58 1zza s SER 9 Ca 0.07 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1zza s SER 9 Cb 0.05 -0.82 -0.06 0.00 0.10 0.00 0.00 66.02 65.29 1zza s SER 9 CO 0.03 0.01 1.85 -0.81 0.98 0.00 0.00 173.24 175.30 1zza n PRO 10 N -0.79 0.94 -0.12 4.02 -0.04 -1.26 -4.27 135.00 133.48 1zza n PRO 10 Ca -0.07 -0.23 -0.05 0.00 -0.04 0.00 0.00 63.50 63.12 1zza n PRO 10 Cb 0.59 -1.37 0.15 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.60 1.24 -0.79 0.52 1.03 -1.90 0.21 112.91 114.83 1zza h THR 11 Ca 0.04 -1.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.43 1zza h THR 11 Cb 0.83 0.84 -0.04 0.00 -1.07 0.00 0.00 68.15 68.72 1zza h THR 11 CO 0.10 0.36 0.46 0.71 -0.01 0.00 0.00 175.52 177.13 1zza h THR 12 N 0.78 1.22 0.07 0.00 1.35 -1.92 0.49 112.91 114.90 1zza h THR 12 Ca 0.15 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1zza h THR 12 Cb 0.45 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1zza h THR 12 CO 0.02 0.24 -0.03 1.23 -0.25 0.00 0.00 175.52 176.72 1zza h GLY 13 N 1.11 -0.10 0.59 5.82 0.00 -1.70 0.29 103.07 109.08 1zza h GLY 13 Ca 0.28 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.74 1zza h GLY 13 CO -0.05 -0.04 0.63 -2.08 0.00 0.00 0.00 176.54 175.00 1zza h VAL 14 N -0.65 0.99 -0.27 4.60 2.07 -0.28 0.26 116.25 122.97 1zza h VAL 14 Ca -0.01 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 1zza h VAL 14 Cb 0.54 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1zza h VAL 14 CO 0.02 0.19 -0.28 0.58 0.02 0.00 0.00 177.57 178.09 1zza h VAL 15 N 1.05 1.31 0.08 2.57 2.07 0.04 -0.14 116.25 123.23 1zza h VAL 15 Ca 0.46 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1zza h VAL 15 Cb 0.34 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1zza h VAL 15 CO -0.22 0.46 -0.08 0.74 0.02 0.00 0.00 177.57 178.49 1zza h THR 16 N 0.41 0.82 -0.18 2.57 2.02 0.91 0.33 112.91 119.79 1zza h THR 16 Ca 0.04 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 1zza h THR 16 Cb 0.85 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1zza h THR 16 CO 0.07 0.00 -0.26 -0.37 0.37 0.00 0.00 175.52 175.33 1zza h VAL 17 N -0.18 1.26 -0.35 3.16 -1.51 -0.54 -0.08 116.25 118.00 1zza h VAL 17 Ca 0.00 -1.21 -0.14 0.00 -1.23 0.00 0.00 66.70 64.12 1zza h VAL 17 Cb 0.17 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1zza h VAL 17 CO -0.02 0.37 -0.33 0.40 -1.23 0.00 0.00 177.57 176.76 1zza h ILE 18 N 0.30 1.28 -0.35 7.19 1.08 -0.50 0.40 117.51 126.92 1zza h ILE 18 Ca 0.05 -1.50 -0.04 0.00 -0.39 0.00 0.00 64.86 62.98 1zza h ILE 18 Cb 0.63 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 1zza h ILE 18 CO 0.05 0.49 0.08 0.58 -0.69 0.00 0.00 178.15 178.66 1zza h VAL 19 N 0.64 1.23 -0.28 1.67 2.07 -0.09 0.52 116.25 122.00 1zza h VAL 19 Ca 0.06 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1zza h VAL 19 Cb 0.91 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1zza h VAL 19 CO 0.08 0.26 0.14 0.40 0.02 0.00 0.00 177.57 178.48 1zza h ILE 20 N 0.41 1.14 -0.04 4.57 1.08 -0.87 0.26 117.51 124.06 1zza h ILE 20 Ca 0.11 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1zza h ILE 20 Cb 0.32 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1zza h ILE 20 CO 0.00 0.14 0.02 -0.07 -0.69 0.00 0.00 178.15 177.55 1zza h LEU 21 N 0.33 0.03 -0.75 1.44 3.38 0.06 0.31 115.31 120.11 1zza h LEU 21 Ca 0.10 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.14 1zza h LEU 21 Cb 0.10 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1zza h LEU 21 CO -0.01 0.02 0.43 0.40 0.09 0.00 0.00 178.44 179.37 1zza h ILE 22 N 0.04 0.97 -0.25 1.22 2.04 0.35 0.22 117.51 122.11 1zza h ILE 22 Ca 0.02 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1zza h ILE 22 Cb 0.00 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1zza h ILE 22 CO -0.02 0.14 0.09 0.00 0.00 0.00 0.00 178.15 178.36 1zza h ALA 23 N 1.39 0.32 -0.23 1.87 0.00 0.19 0.27 119.26 123.06 1zza h ALA 23 Ca 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1zza h ALA 23 Cb 0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1zza h ALA 23 CO -0.20 -0.07 0.10 0.82 0.00 0.00 0.00 179.25 179.91 1zza h ILE 24 N 0.24 0.97 -0.45 0.00 2.04 0.42 0.32 117.51 121.05 1zza h ILE 24 Ca 0.08 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1zza h ILE 24 Cb 0.21 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1zza h ILE 24 CO -0.00 0.04 0.28 0.00 0.00 0.00 0.00 178.15 178.47 1zza h ALA 25 N 1.13 0.57 -0.46 1.87 0.00 -0.38 0.30 119.26 122.30 1zza h ALA 25 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1zza h ALA 25 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1zza h ALA 25 CO -0.08 0.05 0.29 0.00 0.00 0.00 0.00 179.25 179.51 1zza h ALA 26 N 1.14 0.58 -0.27 0.00 0.00 0.04 0.28 119.26 121.03 1zza h ALA 26 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1zza h ALA 26 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1zza h ALA 26 CO -0.03 0.05 0.15 1.25 0.00 0.00 0.00 179.25 180.67 1zza h LEU 27 N 0.61 0.33 -0.62 0.00 6.46 0.10 0.27 115.31 122.46 1zza h LEU 27 Ca 0.17 -0.07 0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1zza h LEU 27 Cb -0.04 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.76 1zza h LEU 27 CO -0.03 0.30 0.37 1.23 -0.62 0.00 0.00 178.44 179.69 1zza h GLY 28 N 0.33 0.89 0.95 3.75 0.00 0.09 0.14 103.07 109.23 1zza h GLY 28 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1zza h GLY 28 CO -0.02 0.21 0.19 0.00 0.00 0.00 0.00 176.54 176.92 1zza h ALA 29 N 1.29 0.48 -0.85 3.60 0.00 0.07 0.31 119.26 124.16 1zza h ALA 29 Ca 0.26 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1zza h ALA 29 Cb 0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1zza h ALA 29 CO -0.12 0.03 0.53 -0.07 0.00 0.00 0.00 179.25 179.62 1zza h LEU 30 N 0.47 0.85 -0.52 0.00 3.38 0.31 0.25 115.31 120.04 1zza h LEU 30 Ca 0.13 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1zza h LEU 30 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1zza h LEU 30 CO -0.02 0.55 -0.56 0.40 0.09 0.00 0.00 178.44 178.91 1zza h ILE 31 N 0.99 1.33 -0.24 1.22 2.04 -0.16 0.19 117.51 122.87 1zza h ILE 31 Ca 0.36 -1.82 -0.06 0.00 1.00 0.00 0.00 64.86 64.34 1zza h ILE 31 Cb 0.12 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1zza h ILE 31 CO -0.16 0.56 -0.10 0.25 0.00 0.00 0.00 178.15 178.71 1zza h LEU 32 N 0.41 0.50 -0.17 1.44 6.46 0.52 0.28 115.31 124.75 1zza h LEU 32 Ca 0.01 -0.40 -0.21 0.00 -0.12 0.00 0.00 57.88 57.16 1zza h LEU 32 Cb 1.10 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1zza h LEU 32 CO 0.10 0.78 -0.72 1.23 -0.62 0.00 0.00 178.44 179.22 1zza h GLY 33 N 0.21 0.87 1.41 3.75 0.00 -0.53 0.47 103.07 109.25 1zza h GLY 33 Ca 0.06 -1.19 -0.28 0.00 0.00 0.00 0.00 47.33 45.91 1zza h GLY 33 CO 0.03 1.07 -1.41 0.00 0.00 0.00 0.00 176.54 176.23 1zza n TRP 35 N -3.40 0.00 -2.80 0.00 8.01 0.87 -4.98 117.44 115.14 1zza n TRP 35 Ca -0.12 -0.49 -0.16 0.00 -1.31 0.00 0.00 57.50 55.42 1zza n TRP 35 Cb 1.02 -0.09 -0.00 0.00 -2.01 0.00 0.00 31.31 30.22 1zza n TRP 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1zza n TYR 37 N -3.61 -0.83 0.00 0.00 4.19 -0.51 -4.67 117.16 111.73 1zza n TYR 37 Ca -0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.12 1zza n TYR 37 Cb 0.58 -3.01 0.00 0.00 0.49 0.00 0.00 39.34 37.41 1zza n TYR 37 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1zza n LEU 38 N -2.49 0.65 -4.19 2.98 7.94 0.99 -2.81 117.00 120.07 1zza n LEU 38 Ca -0.17 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.39 1zza n LEU 38 Cb 0.58 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.49 1zza n LEU 38 CO 0.22 -0.02 -0.12 -1.14 -1.11 0.00 0.00 177.39 175.21 1zza n ARG 39 N -2.52 -2.86 -3.62 1.96 0.63 -0.23 -1.81 116.66 108.21 1zza n ARG 39 Ca 0.00 0.34 -0.28 0.00 -0.92 0.00 0.00 57.85 57.00 1zza n ARG 39 Cb 0.29 -4.82 0.04 0.00 0.45 0.00 0.00 32.46 28.42 1zza n ARG 39 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1zza n LEU 40 N -4.38 -3.30 0.09 6.15 4.32 -1.26 -4.88 117.00 113.74 1zza n LEU 40 Ca -0.04 -0.95 0.13 0.00 -0.02 0.00 0.00 56.01 55.13 1zza n LEU 40 Cb 0.55 -2.54 0.43 0.00 -1.62 0.00 0.00 43.42 40.24 1zza n LEU 40 CO 0.84 0.40 0.89 1.67 -1.22 0.00 0.00 177.39 179.98 1zza n GLN 41 N -4.05 0.23 0.00 3.23 -0.06 -0.75 -4.94 117.38 111.04 1zza n GLN 41 Ca -0.12 0.20 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 1zza n GLN 41 Cb 0.61 -1.77 0.00 0.00 -4.06 0.00 0.00 30.24 25.02 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1zza n ARG 42 N -2.17 0.00 0.29 3.69 0.63 -1.26 -4.99 116.66 112.85 1zza n ARG 42 Ca 0.06 0.00 0.15 0.00 -0.92 0.00 0.00 57.85 57.14 1zza n ARG 42 Cb 0.41 0.00 0.86 0.00 0.45 0.00 0.00 32.46 34.18 1zza n ARG 42 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1zza h ILE 43 N 0.00 0.43 -1.21 5.15 -0.00 -2.03 -3.48 117.51 116.37 1zza h ILE 43 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 64.86 64.58 1zza h ILE 43 Cb 0.00 1.19 0.00 0.00 -0.00 0.00 0.00 36.82 38.01 1zza h ILE 43 CO 0.00 0.05 0.00 -0.24 -0.00 0.00 0.00 178.15 177.96 1zza n SER 44 N -3.59 -3.63 -4.39 2.19 2.88 -1.26 -4.85 113.62 100.97 1zza n SER 44 Ca -0.02 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.13 1zza n SER 44 Cb 0.16 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.57 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza n GLN 45 N -0.56 -1.75 0.00 -1.46 6.02 -1.26 -4.06 117.38 114.31 1zza n GLN 45 Ca 0.00 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1zza n GLN 45 Cb 0.00 -4.77 0.00 0.00 1.02 0.00 0.00 30.24 26.49 1zza n GLN 45 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1zza n SER 46 N -2.59 0.00 -4.75 1.08 7.64 -1.26 -5.14 113.62 108.60 1zza n SER 46 Ca 0.05 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.56 1zza n SER 46 Cb 0.49 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.73 1zza n SER 46 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1zza s GLU 47 N 0.00 3.02 0.00 1.43 2.02 -1.26 -5.04 118.70 118.87 1zza s GLU 47 Ca 0.00 1.97 0.00 0.00 0.02 0.00 0.00 54.97 56.96 1zza s GLU 47 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1zza s GLU 47 CO 0.00 -1.20 0.00 -3.47 0.02 0.00 0.00 175.26 170.61 1zza n ASP 48 N -1.38 0.00 -4.67 -0.19 2.03 -1.26 -5.02 116.55 106.06 1zza n ASP 48 Ca 0.13 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.01 1zza n ASP 48 Cb 0.48 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.85 1zza n ASP 48 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1zza s GLU 49 N 3.98 4.28 -0.83 -0.67 -6.30 -1.26 -4.74 118.70 113.16 1zza s GLU 49 Ca 0.00 1.77 -0.07 0.00 -2.50 0.00 0.00 54.97 54.17 1zza s GLU 49 Cb 0.00 -3.68 0.21 0.00 0.00 0.00 0.00 34.13 30.66 1zza s GLU 49 CO 0.00 -0.61 0.73 -2.00 0.02 0.00 0.00 175.26 173.40 1zza s GLU 50 N 2.92 3.32 0.00 4.30 2.12 -1.12 -0.03 118.70 130.20 1zza s GLU 50 Ca 0.58 -2.78 0.00 0.00 0.36 0.00 0.00 54.97 53.13 1zza s GLU 50 Cb -0.25 -4.14 0.00 0.00 0.26 0.00 0.00 34.13 30.00 1zza s GLU 50 CO 0.20 -1.24 0.00 0.45 -0.54 0.00 0.00 175.26 174.13 1zza n SER 51 N 3.26 0.00 0.03 -1.70 2.88 -1.00 -4.71 113.62 112.38 1zza n SER 51 Ca 0.15 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 1zza n SER 51 Cb 0.41 0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 1zza n SER 51 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1zza n ILE 52 N -0.86 1.12 -0.10 2.46 5.41 -1.23 -3.87 119.36 122.29 1zza n ILE 52 Ca 0.00 0.32 -0.15 0.00 1.00 0.00 0.00 62.75 63.91 1zza n ILE 52 Cb 0.00 -1.67 -0.14 0.00 -0.71 0.00 0.00 39.64 37.13 1zza n ILE 52 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1zza n VAL 53 N -3.56 1.49 0.04 1.39 3.14 -1.26 -0.09 118.33 119.48 1zza n VAL 53 Ca -0.03 -0.69 -0.08 0.00 -2.96 0.00 0.00 64.34 60.59 1zza n VAL 53 Cb 0.13 -1.11 0.07 0.00 -1.06 0.00 0.00 33.84 31.88 1zza n VAL 53 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1zza h GLY 54 N 2.68 0.46 -6.00 7.55 0.00 -0.80 -3.38 103.07 103.58 1zza h GLY 54 Ca -0.54 -0.57 0.18 0.00 0.00 0.00 0.00 47.33 46.40 1zza h GLY 54 CO -0.02 0.51 -0.03 -0.35 0.00 0.00 0.00 176.54 176.65 1zza s ASP 55 N -6.92 -0.82 0.00 0.19 -1.08 -1.26 -4.82 116.67 101.96 1zza s ASP 55 Ca -0.06 0.51 0.00 0.00 -0.52 0.00 0.00 52.55 52.48 1zza s ASP 55 Cb 0.11 1.69 0.00 0.00 -1.46 0.00 0.00 42.92 43.26 1zza s ASP 55 CO 0.83 -0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.97 1zza n GLY 56 N 5.45 1.14 0.13 2.66 0.00 -1.25 -2.36 105.19 110.95 1zza n GLY 56 Ca -0.04 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.98 1zza n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zza n GLU 57 N 0.00 1.00 -0.12 1.61 1.02 0.87 -1.12 120.64 123.89 1zza n GLU 57 Ca 0.00 -1.23 -0.09 0.00 -0.02 0.00 0.00 57.16 55.82 1zza n GLU 57 Cb 0.00 -0.80 -0.01 0.00 -0.02 0.00 0.00 31.44 30.61 1zza n GLU 57 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1zza h THR 58 N 2.62 1.17 -2.88 2.62 2.02 -1.71 -3.43 112.91 113.31 1zza h THR 58 Ca 0.00 -0.49 -0.19 0.00 0.77 0.00 0.00 66.41 66.50 1zza h THR 58 Cb 0.96 0.80 -0.31 0.00 -1.74 0.00 0.00 68.15 67.86 1zza h THR 58 CO 0.00 0.18 -0.49 -0.75 0.37 0.00 0.00 175.52 174.83 1zza s LYS 59 N -5.70 0.19 0.59 6.66 2.20 -1.26 -5.12 119.74 117.31 1zza s LYS 59 Ca -0.13 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1zza s LYS 59 Cb 0.10 -0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1zza s LYS 59 CO 0.74 -0.23 0.00 0.39 -0.36 0.00 0.00 175.35 175.89 1zza n GLU 60 N 4.90 -3.34 0.00 4.03 4.71 -1.26 -4.24 120.64 125.44 1zza n GLU 60 Ca -0.14 2.67 0.11 0.00 -0.01 0.00 0.00 57.16 59.79 1zza n GLU 60 Cb 0.51 -3.93 0.55 0.00 -1.01 0.00 0.00 31.44 27.56 1zza n GLU 60 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1zza n PRO 61 N -4.38 0.22 0.01 3.49 -0.04 -1.26 -3.80 135.00 129.24 1zza n PRO 61 Ca -0.08 0.08 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 1zza n PRO 61 Cb 0.70 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1zza n PRO 61 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1zza h PHE 62 N 0.00 -0.33 -0.08 0.54 3.04 -1.90 -1.71 116.94 116.50 1zza h PHE 62 Ca 0.00 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1zza h PHE 62 Cb 0.28 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 1zza h PHE 62 CO 0.00 -0.20 0.04 -0.07 -2.02 0.00 0.00 178.31 176.06 1zza h LEU 63 N -0.17 0.09 0.86 0.59 3.38 -1.74 -0.54 115.31 117.79 1zza h LEU 63 Ca 0.08 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1zza h LEU 63 Cb 0.29 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1zza h LEU 63 CO -0.21 0.08 -0.46 0.25 0.09 0.00 0.00 178.44 178.20 1zza h LEU 64 N 0.11 -1.11 -1.28 1.67 6.46 -0.17 0.27 115.31 121.26 1zza h LEU 64 Ca 0.03 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 1zza h LEU 64 Cb 0.01 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1zza h LEU 64 CO -0.00 -0.74 -0.27 -0.37 -0.62 0.00 0.00 178.44 176.44 1zza h VAL 65 N -1.21 1.23 -0.06 1.05 -1.51 -1.35 0.39 116.25 114.78 1zza h VAL 65 Ca -0.12 -1.07 -0.00 0.00 -1.23 0.00 0.00 66.70 64.28 1zza h VAL 65 Cb 0.95 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1zza h VAL 65 CO 0.17 0.32 0.03 -0.61 -1.23 0.00 0.00 177.57 176.25 1zza h GLN 66 N 0.13 0.09 -0.11 5.19 4.15 -0.75 0.86 115.11 124.67 1zza h GLN 66 Ca 0.02 -0.01 -0.18 0.00 0.77 0.00 0.00 58.65 59.25 1zza h GLN 66 Cb 0.55 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 1zza h GLN 66 CO 0.04 0.15 -0.67 -0.92 -1.93 0.00 0.00 178.83 175.50 1zza h TYR 67 N -0.00 0.62 -0.10 3.99 5.03 -0.20 0.21 116.97 126.51 1zza h TYR 67 Ca 0.02 -0.25 -0.02 0.00 2.58 0.00 0.00 58.73 61.06 1zza h TYR 67 Cb 0.09 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 1zza h TYR 67 CO -0.04 1.00 -0.02 1.03 -1.32 0.00 0.00 178.16 178.81 1zza h SER 68 N 0.33 0.13 0.00 -2.11 0.87 0.07 0.48 113.55 113.32 1zza h SER 68 Ca -0.02 -0.01 -0.31 0.00 -1.23 0.00 0.00 61.79 60.21 1zza h SER 68 Cb 1.24 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.12 1zza h SER 68 CO 0.12 0.18 -1.73 0.00 -0.53 0.00 0.00 176.83 174.87 1zza n ALA 69 N -2.51 0.93 -0.00 6.23 0.00 0.27 -4.30 120.51 121.13 1zza n ALA 69 Ca -0.01 -0.72 -0.09 0.00 0.00 0.00 0.00 53.44 52.62 1zza n ALA 69 Cb 0.16 -0.28 0.07 0.00 0.00 0.00 0.00 19.45 19.39 1zza n ALA 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1zza h LYS 70 N -1.00 0.57 -0.28 0.00 2.10 -0.60 -1.39 116.57 115.97 1zza h LYS 70 Ca -0.47 -0.34 0.04 0.00 -2.00 0.00 0.00 60.65 57.88 1zza h LYS 70 Cb 1.41 0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 32.70 1zza h LYS 70 CO -0.29 0.94 -0.46 0.78 -2.00 0.00 0.00 179.45 178.42 1zza h GLY 71 N 1.05 -1.17 0.99 0.07 0.00 -0.19 1.50 103.07 105.32 1zza h GLY 71 Ca 0.02 0.72 -0.09 0.00 0.00 0.00 0.00 47.33 47.99 1zza h GLY 71 CO 0.10 -0.23 -0.08 -0.56 0.00 0.00 0.00 176.54 175.76 1zza h PRO 72 N -0.38 0.79 -0.63 4.80 0.13 -1.73 0.21 132.00 135.20 1zza h PRO 72 Ca 0.05 -0.29 0.06 0.00 -0.87 0.00 0.00 66.00 64.94 1zza h PRO 72 Cb 0.52 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.55 1zza h PRO 72 CO -0.46 0.91 0.34 0.00 -0.23 0.00 0.00 178.00 178.55 1zza h VAL 74 N 0.62 1.43 -0.96 0.00 2.07 0.22 -1.51 116.25 118.12 1zza h VAL 74 Ca 0.28 -1.34 0.11 0.00 0.82 0.00 0.00 66.70 66.58 1zza h VAL 74 Cb 0.18 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 32.14 1zza h VAL 74 CO -0.18 0.36 0.61 -0.08 0.02 0.00 0.00 177.57 178.30 1zza h GLU 75 N -0.44 0.92 0.30 1.57 4.81 -0.21 0.50 114.58 122.02 1zza h GLU 75 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1zza h GLU 75 Cb 0.61 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1zza h GLU 75 CO 0.01 0.61 -0.14 0.00 -0.73 0.00 0.00 179.01 178.75 1zza h ARG 76 N 0.95 -0.39 -0.14 1.92 -0.00 -0.01 0.03 114.38 116.73 1zza h ARG 76 Ca 0.46 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.97 1zza h ARG 76 Cb 0.46 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.51 1zza h ARG 76 CO -0.22 -0.05 0.09 1.57 0.00 0.00 0.00 179.97 181.36 1zza h LYS 77 N -0.82 0.17 -0.25 0.04 2.10 -0.78 0.43 116.57 117.46 1zza h LYS 77 Ca -0.04 -0.01 -0.15 0.00 -2.00 0.00 0.00 60.65 58.45 1zza h LYS 77 Cb 0.52 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1zza h LYS 77 CO 0.07 0.11 -0.43 0.00 -2.00 0.00 0.00 179.45 177.20 1zza h ALA 78 N 1.92 0.38 -0.06 0.07 0.00 0.08 -1.15 119.26 120.50 1zza h ALA 78 Ca 0.05 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1zza h ALA 78 Cb -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1zza h ALA 78 CO -0.01 0.51 -0.75 0.87 0.00 0.00 0.00 179.25 179.87 1zza h LYS 79 N 0.45 0.36 -0.41 0.00 1.57 -0.14 0.42 116.57 118.83 1zza h LYS 79 Ca 0.02 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 58.35 1zza h LYS 79 Cb 1.03 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1zza h LYS 79 CO 0.10 0.95 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.58 1zza h LEU 80 N 0.24 0.91 0.11 2.94 3.38 -0.13 -3.31 115.31 119.46 1zza h LEU 80 Ca -0.03 -0.37 -0.28 0.00 0.09 0.00 0.00 57.88 57.29 1zza h LEU 80 Cb 1.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1zza h LEU 80 CO 0.13 1.13 -1.47 -0.03 0.09 0.00 0.00 178.44 178.28 1zza h MET 81 N 0.75 0.23 -6.19 1.13 4.05 -1.19 -3.48 114.93 110.23 1zza h MET 81 Ca 0.09 -0.40 -0.58 0.00 -0.28 0.00 0.00 59.70 58.52 1zza h MET 81 Cb 0.84 0.15 -0.12 0.00 -0.80 0.00 0.00 31.60 31.67 1zza h MET 81 CO 0.07 1.19 -0.69 0.95 0.23 0.00 0.00 176.91 178.66 1zza s THR 82 N -2.48 2.97 0.37 -0.77 -4.23 0.15 -5.03 115.64 106.61 1zza s THR 82 Ca -0.21 -2.13 0.07 0.00 -1.18 0.00 0.00 61.69 58.25 1zza s THR 82 Cb 0.05 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.44 1zza s THR 82 CO 0.76 -0.37 1.91 1.55 -0.54 0.00 0.00 174.62 177.92 1zza h PRO 83 N 2.05 0.36 -2.74 3.99 0.13 -1.79 -3.34 132.00 130.66 1zza h PRO 83 Ca -0.42 -0.08 -0.24 0.00 -0.87 0.00 0.00 66.00 64.39 1zza h PRO 83 Cb 1.25 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1zza h PRO 83 CO 0.61 0.44 -0.27 -1.71 -0.23 0.00 0.00 178.00 176.84 1zza n ASN 84 N -4.29 -3.52 -3.86 1.44 4.05 -1.25 -4.91 115.26 102.92 1zza n ASN 84 Ca 0.00 0.25 -0.30 0.00 0.45 0.00 0.00 54.58 54.98 1zza n ASN 84 Cb 0.25 -3.14 -0.15 0.00 1.23 0.00 0.00 39.78 37.96 1zza n ASN 84 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1zza s GLY 85 N -2.02 1.43 0.32 8.20 0.00 -1.22 -4.97 107.32 109.05 1zza s GLY 85 Ca 0.00 -2.02 0.20 0.00 0.00 0.00 0.00 44.72 42.90 1zza s GLY 85 CO 0.00 1.32 1.59 -1.55 0.00 0.00 0.00 173.10 174.46 1zza n PRO 86 N 4.60 0.13 0.27 2.90 -0.04 -0.63 0.72 135.00 142.95 1zza n PRO 86 Ca 0.00 0.63 0.14 0.00 -0.04 0.00 0.00 63.50 64.23 1zza n PRO 86 Cb 0.42 -1.97 0.74 0.00 -0.04 0.00 0.00 33.50 32.65 1zza n PRO 86 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1zza h GLU 87 N 0.00 0.00 0.00 0.54 3.07 -2.00 -3.32 114.58 112.88 1zza h GLU 87 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1zza h GLU 87 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1zza h GLU 87 CO 0.00 0.10 -0.18 1.55 -1.40 0.00 0.00 179.01 179.08 1zza n VAL 88 N -3.47 0.00 -3.79 3.13 3.14 0.10 -5.14 118.33 112.30 1zza n VAL 88 Ca -0.01 -0.04 0.02 0.00 -2.96 0.00 0.00 64.34 61.34 1zza n VAL 88 Cb 0.25 0.41 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 1zza n VAL 88 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1zza s HIS 89 N -0.45 -0.01 -2.64 1.45 5.65 0.22 -5.05 115.29 114.47 1zza s HIS 89 Ca 0.00 -0.12 0.27 0.00 0.25 0.00 0.00 55.06 55.46 1zza s HIS 89 Cb 0.00 0.56 0.81 0.00 -1.18 0.00 0.00 32.58 32.77 1zza s HIS 89 CO 0.00 -0.31 1.61 0.41 -0.65 0.00 0.00 174.74 175.80