#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 0.00 -4.36 1.61 2.88 -1.26 -5.18 113.62 107.31 1zza n SER 2 Ca 0.00 -0.12 -0.23 0.00 -1.33 0.00 0.00 58.87 57.19 1zza n SER 2 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 1zza n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza s MET 3 N 0.65 1.36 -0.56 -1.46 0.00 -1.26 -5.07 119.30 112.97 1zza s MET 3 Ca 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 55.69 54.26 1zza s MET 3 Cb 0.00 -1.48 0.39 0.00 0.00 0.00 0.00 34.83 33.74 1zza s MET 3 CO 0.00 0.30 1.29 0.43 0.00 0.00 0.00 175.02 177.05 1zza n SER 4 N 0.22 5.33 -0.24 -1.18 7.64 -1.26 -4.83 113.62 119.30 1zza n SER 4 Ca -0.12 -3.74 0.03 0.00 1.01 0.00 0.00 58.87 56.05 1zza n SER 4 Cb 0.57 -0.62 0.16 0.00 -1.01 0.00 0.00 64.21 63.31 1zza n SER 4 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1zza h ILE 5 N 2.51 0.72 -3.48 0.44 3.07 -2.06 -3.45 117.51 115.25 1zza h ILE 5 Ca 0.34 -0.16 -0.26 0.00 1.55 0.00 0.00 64.86 66.33 1zza h ILE 5 Cb 0.67 0.22 -0.02 0.00 -0.27 0.00 0.00 36.82 37.42 1zza h ILE 5 CO 0.97 0.08 -0.32 0.23 -1.05 0.00 0.00 178.15 178.06 1zza n MET 6 N -4.98 -2.08 0.29 0.16 2.81 -1.26 -4.81 117.12 107.25 1zza n MET 6 Ca 0.12 0.65 0.18 0.00 -1.81 0.00 0.00 57.70 56.84 1zza n MET 6 Cb 0.35 -5.21 0.79 0.00 -0.71 0.00 0.00 33.22 28.44 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 0.00 0.00 -4.32 7.83 2.03 -2.02 -3.46 116.42 116.48 1zza h ASP 7 Ca -0.31 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.61 1zza h ASP 7 Cb 1.19 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.70 1zza h ASP 7 CO 0.37 0.00 -0.56 1.57 -1.03 0.00 0.00 179.24 179.59 1zza n HIS 8 N -3.09 -1.72 -4.34 4.15 -0.00 -1.26 -4.96 115.22 104.00 1zza n HIS 8 Ca -0.00 0.37 -0.19 0.00 0.46 0.00 0.00 57.72 58.36 1zza n HIS 8 Cb 0.26 -3.98 -0.09 0.00 -0.12 0.00 0.00 29.99 26.06 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1zza s SER 9 N -2.53 1.56 -0.99 0.26 0.15 -1.26 -5.03 113.70 105.87 1zza s SER 9 Ca 0.24 -1.53 -0.07 0.00 0.70 0.00 0.00 55.95 55.28 1zza s SER 9 Cb -0.11 0.35 -0.11 0.00 -1.71 0.00 0.00 66.02 64.44 1zza s SER 9 CO 0.29 -0.86 2.69 -0.81 1.20 0.00 0.00 173.24 175.75 1zza n PRO 10 N -0.58 2.64 -0.29 5.44 -0.04 -1.26 -4.64 135.00 136.27 1zza n PRO 10 Ca 0.00 -1.60 0.12 0.00 -0.04 0.00 0.00 63.50 61.98 1zza n PRO 10 Cb 0.65 -2.46 0.36 0.00 -0.04 0.00 0.00 33.50 32.01 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 2.95 0.83 -0.50 0.52 1.03 -1.98 0.15 112.91 115.91 1zza h THR 11 Ca 0.57 -0.25 0.14 0.00 -0.01 0.00 0.00 66.41 66.86 1zza h THR 11 Cb 0.47 0.03 -0.02 0.00 -1.07 0.00 0.00 68.15 67.56 1zza h THR 11 CO 1.30 0.13 0.36 0.00 -0.01 0.00 0.00 175.52 177.31 1zza h THR 12 N 0.74 0.75 0.20 0.00 1.03 -1.98 0.38 112.91 114.02 1zza h THR 12 Ca 0.47 -0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.86 1zza h THR 12 Cb 0.72 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1zza h THR 12 CO -0.23 0.00 -0.10 1.23 -0.01 0.00 0.00 175.52 176.41 1zza h GLY 13 N 0.00 -0.28 0.50 2.99 0.00 -1.09 0.21 103.07 105.40 1zza h GLY 13 Ca 0.24 0.11 0.10 0.00 0.00 0.00 0.00 47.33 47.77 1zza h GLY 13 CO -0.00 -0.10 0.49 -2.08 0.00 0.00 0.00 176.54 174.84 1zza h VAL 14 N -0.91 0.90 -0.34 4.60 2.07 -1.21 0.21 116.25 121.58 1zza h VAL 14 Ca -0.03 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1zza h VAL 14 Cb 0.50 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1zza h VAL 14 CO 0.05 0.15 0.08 0.58 0.02 0.00 0.00 177.57 178.44 1zza h VAL 15 N 0.80 1.22 -0.39 2.57 2.07 -0.28 0.22 116.25 122.46 1zza h VAL 15 Ca 0.41 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1zza h VAL 15 Cb 0.39 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1zza h VAL 15 CO -0.26 0.26 0.19 0.74 0.02 0.00 0.00 177.57 178.53 1zza h THR 16 N 0.39 0.98 -0.57 2.57 2.02 0.87 0.17 112.91 119.34 1zza h THR 16 Ca 0.11 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1zza h THR 16 Cb 0.31 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1zza h THR 16 CO 0.00 0.07 0.01 0.58 0.37 0.00 0.00 175.52 176.55 1zza h VAL 17 N 0.40 1.26 -0.74 3.16 2.07 -0.42 -0.11 116.25 121.88 1zza h VAL 17 Ca 0.17 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1zza h VAL 17 Cb 0.07 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1zza h VAL 17 CO -0.12 0.40 0.35 0.40 0.02 0.00 0.00 177.57 178.63 1zza h ILE 18 N 0.91 1.24 -0.57 4.57 1.08 0.34 0.79 117.51 125.87 1zza h ILE 18 Ca 0.17 -0.67 -0.09 0.00 -0.39 0.00 0.00 64.86 63.88 1zza h ILE 18 Cb 0.52 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 1zza h ILE 18 CO 0.03 0.28 0.01 0.58 -0.69 0.00 0.00 178.15 178.36 1zza h VAL 19 N 1.03 1.26 0.01 1.67 2.07 -0.35 0.55 116.25 122.50 1zza h VAL 19 Ca 0.25 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 1zza h VAL 19 Cb 0.12 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1zza h VAL 19 CO -0.03 0.40 -0.00 0.40 0.02 0.00 0.00 177.57 178.35 1zza h ILE 20 N 0.88 1.21 -0.65 4.57 2.04 -0.33 0.19 117.51 125.42 1zza h ILE 20 Ca 0.16 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1zza h ILE 20 Cb 0.53 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1zza h ILE 20 CO 0.03 0.17 0.36 0.17 0.00 0.00 0.00 178.15 178.88 1zza h LEU 21 N -0.30 0.81 -0.97 1.44 8.10 0.71 0.15 115.31 125.26 1zza h LEU 21 Ca -0.00 -0.09 -0.04 0.00 0.11 0.00 0.00 57.88 57.86 1zza h LEU 21 Cb 0.29 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.27 1zza h LEU 21 CO 0.00 0.67 0.30 0.40 -4.11 0.00 0.00 178.44 175.71 1zza h ILE 22 N 0.89 1.24 0.04 0.15 1.08 0.25 0.63 117.51 121.78 1zza h ILE 22 Ca 0.23 -0.73 -0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1zza h ILE 22 Cb 0.04 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.16 1zza h ILE 22 CO -0.04 0.30 -0.02 0.00 -0.69 0.00 0.00 178.15 177.70 1zza h ALA 23 N 1.30 -0.05 -0.62 1.87 0.00 0.15 0.19 119.26 122.10 1zza h ALA 23 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1zza h ALA 23 Cb 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1zza h ALA 23 CO -0.02 -0.33 0.25 -0.84 0.00 0.00 0.00 179.25 178.31 1zza h ILE 24 N -0.45 1.22 -0.20 0.00 3.07 -0.59 0.32 117.51 120.88 1zza h ILE 24 Ca -0.00 -0.66 -0.03 0.00 1.55 0.00 0.00 64.86 65.71 1zza h ILE 24 Cb 0.41 0.47 -0.01 0.00 -0.27 0.00 0.00 36.82 37.43 1zza h ILE 24 CO 0.01 0.27 0.01 0.00 -1.05 0.00 0.00 178.15 177.39 1zza h ALA 25 N 1.40 0.26 -0.56 0.16 0.00 -0.79 0.30 119.26 120.02 1zza h ALA 25 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1zza h ALA 25 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1zza h ALA 25 CO -0.02 -0.04 0.33 0.00 0.00 0.00 0.00 179.25 179.52 1zza h ALA 26 N 0.81 0.72 -0.39 0.00 0.00 -0.14 0.20 119.26 120.45 1zza h ALA 26 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1zza h ALA 26 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1zza h ALA 26 CO 0.01 0.21 0.22 1.25 0.00 0.00 0.00 179.25 180.94 1zza h LEU 27 N 0.75 0.47 -0.41 0.00 6.46 -0.16 0.42 115.31 122.84 1zza h LEU 27 Ca 0.20 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1zza h LEU 27 Cb -0.00 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 1zza h LEU 27 CO -0.04 0.41 0.22 1.23 -0.62 0.00 0.00 178.44 179.64 1zza h GLY 28 N 0.50 0.57 1.03 3.75 0.00 0.18 0.14 103.07 109.23 1zza h GLY 28 Ca 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1zza h GLY 28 CO -0.02 0.12 0.12 0.00 0.00 0.00 0.00 176.54 176.76 1zza h ALA 29 N 1.20 0.79 -0.80 3.60 0.00 -0.18 0.39 119.26 124.26 1zza h ALA 29 Ca 0.17 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1zza h ALA 29 Cb 0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1zza h ALA 29 CO -0.11 0.52 0.52 -0.07 0.00 0.00 0.00 179.25 180.12 1zza h LEU 30 N 0.88 0.88 -0.15 0.00 3.38 0.51 0.35 115.31 121.16 1zza h LEU 30 Ca 0.18 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1zza h LEU 30 Cb 0.39 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1zza h LEU 30 CO 0.01 0.61 -0.17 0.40 0.09 0.00 0.00 178.44 179.38 1zza h ILE 31 N 1.03 1.35 -0.40 1.22 1.08 -0.33 0.13 117.51 121.59 1zza h ILE 31 Ca 0.31 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.48 1zza h ILE 31 Cb -0.03 1.89 -0.05 0.00 -3.07 0.00 0.00 36.82 35.56 1zza h ILE 31 CO -0.10 0.40 0.14 0.25 -0.69 0.00 0.00 178.15 178.15 1zza h LEU 32 N 0.01 0.14 -0.31 1.44 6.46 0.30 0.20 115.31 123.54 1zza h LEU 32 Ca 0.02 0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.73 1zza h LEU 32 Cb 0.71 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1zza h LEU 32 CO 0.04 0.12 -0.19 1.23 -0.62 0.00 0.00 178.44 179.02 1zza h GLY 33 N 0.30 0.74 0.65 3.75 0.00 -0.29 0.14 103.07 108.35 1zza h GLY 33 Ca 0.19 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.86 1zza h GLY 33 CO -0.19 0.62 -0.11 0.00 0.00 0.00 0.00 176.54 176.86 1zza n TRP 35 N -5.25 -1.57 -0.17 0.00 -0.00 0.01 -4.42 117.44 106.05 1zza n TRP 35 Ca -0.05 -1.39 0.10 0.00 -0.00 0.00 0.00 57.50 56.17 1zza n TRP 35 Cb 0.17 1.40 0.42 0.00 -0.00 0.00 0.00 31.31 33.30 1zza n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1zza s TYR 37 N -5.56 2.10 -2.00 0.00 5.04 -1.26 -5.01 117.35 110.67 1zza s TYR 37 Ca -0.09 -0.61 0.12 0.00 -2.44 0.00 0.00 57.07 54.05 1zza s TYR 37 Cb 0.20 -1.18 0.69 0.00 0.35 0.00 0.00 41.96 42.02 1zza s TYR 37 CO 0.77 0.40 1.12 1.47 -1.34 0.00 0.00 175.55 177.97 1zza n LEU 38 N -0.64 0.00 -0.13 6.97 -0.00 -1.26 -2.27 117.00 119.67 1zza n LEU 38 Ca -0.05 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.97 1zza n LEU 38 Cb 0.63 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.08 1zza n LEU 38 CO 0.41 0.00 0.51 0.54 -0.00 0.00 0.00 177.39 178.84 1zza n ARG 39 N -0.93 2.70 -1.97 1.47 5.12 -1.26 -4.98 116.66 116.82 1zza n ARG 39 Ca 0.09 -1.54 -0.32 0.00 -1.93 0.00 0.00 57.85 54.15 1zza n ARG 39 Cb 0.04 -1.05 0.01 0.00 -1.16 0.00 0.00 32.46 30.30 1zza n ARG 39 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1zza s LEU 40 N -0.94 3.37 -0.85 0.55 2.01 -0.96 -0.03 118.68 121.84 1zza s LEU 40 Ca 0.05 1.62 0.00 0.00 0.01 0.00 0.00 54.13 55.80 1zza s LEU 40 Cb 0.02 -4.50 0.00 0.00 0.01 0.00 0.00 46.19 41.72 1zza s LEU 40 CO 0.03 -1.04 0.00 1.67 1.01 0.00 0.00 176.35 178.02 1zza n GLN 41 N -2.37 -1.71 0.00 1.70 -0.06 -1.26 -4.61 117.38 109.07 1zza n GLN 41 Ca 0.07 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.84 1zza n GLN 41 Cb 0.54 -5.17 0.00 0.00 -4.06 0.00 0.00 30.24 21.55 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 -0.46 0.00 0.02 3.69 3.00 -1.23 -4.97 116.66 116.71 1zza n ARG 42 Ca -0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.56 1zza n ARG 42 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.87 1zza n ARG 42 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1zza h ILE 43 N 0.00 0.70 0.00 5.15 1.08 -1.62 -2.58 117.51 120.24 1zza h ILE 43 Ca 0.00 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 1zza h ILE 43 Cb 0.00 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.31 1zza h ILE 43 CO 0.00 0.88 0.00 -1.20 -0.69 0.00 0.00 178.15 177.14 1zza n SER 44 N -3.49 0.00 0.00 1.72 7.64 0.95 0.07 113.62 120.51 1zza n SER 44 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1zza n SER 44 Cb 1.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zza n GLN 45 N 0.00 3.21 -2.71 1.43 10.64 -1.26 -4.86 117.38 123.83 1zza n GLN 45 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 1zza n GLN 45 Cb 0.00 -0.98 0.06 0.00 -0.86 0.00 0.00 30.24 28.46 1zza n GLN 45 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1zza n SER 46 N -2.03 0.57 -0.00 2.61 7.64 -0.90 -5.13 113.62 116.38 1zza n SER 46 Ca 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.42 1zza n SER 46 Cb 0.48 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1zza n SER 46 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1zza n GLU 47 N -0.43 0.00 -0.35 1.43 -0.58 0.11 -3.43 120.64 117.40 1zza n GLU 47 Ca 0.04 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.93 1zza n GLU 47 Cb 0.83 0.00 0.29 0.00 -0.57 0.00 0.00 31.44 31.99 1zza n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1zza n ASP 48 N -2.28 -0.12 0.00 1.62 2.03 -0.97 -4.63 116.55 112.20 1zza n ASP 48 Ca 0.00 1.69 0.00 0.00 0.52 0.00 0.00 54.79 57.00 1zza n ASP 48 Cb 0.00 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 1zza n ASP 48 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1zza n GLU 49 N -5.50 0.00 -1.50 -0.67 4.07 -1.22 -4.14 120.64 111.69 1zza n GLU 49 Ca 0.23 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 57.00 1zza n GLU 49 Cb 0.77 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 32.07 1zza n GLU 49 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1zza n GLU 50 N 0.00 1.18 0.00 5.31 2.13 -1.26 -2.47 120.64 125.53 1zza n GLU 50 Ca 0.00 -1.98 0.00 0.00 0.66 0.00 0.00 57.16 55.84 1zza n GLU 50 Cb 0.00 -3.33 0.00 0.00 0.27 0.00 0.00 31.44 28.38 1zza n GLU 50 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1zza n SER 51 N 12.11 0.00 0.12 4.31 2.88 -1.26 -4.96 113.62 126.81 1zza n SER 51 Ca 0.46 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.79 1zza n SER 51 Cb 0.44 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.75 1zza n SER 51 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1zza h ILE 52 N 0.00 1.29 -1.15 2.46 3.07 -1.84 -3.32 117.51 118.02 1zza h ILE 52 Ca 0.00 -2.81 0.34 0.00 1.55 0.00 0.00 64.86 63.94 1zza h ILE 52 Cb 0.00 2.95 -0.11 0.00 -0.27 0.00 0.00 36.82 39.39 1zza h ILE 52 CO 0.00 0.84 0.74 1.62 -1.05 0.00 0.00 178.15 180.30 1zza h VAL 53 N 0.11 0.35 0.00 0.16 3.04 -1.83 -3.44 116.25 114.64 1zza h VAL 53 Ca -0.23 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1zza h VAL 53 Cb 2.08 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1zza h VAL 53 CO 0.23 0.05 0.00 0.61 -1.01 0.00 0.00 177.57 177.45 1zza n GLY 54 N -1.49 0.93 3.57 3.17 0.00 -1.25 -4.79 105.19 105.33 1zza n GLY 54 Ca 0.30 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 5.81 -0.09 1.61 2.15 -1.26 -4.54 116.67 120.34 1zza s ASP 55 Ca 0.00 0.39 0.03 0.00 0.43 0.00 0.00 52.55 53.41 1zza s ASP 55 Cb 0.00 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.19 1zza s ASP 55 CO 0.00 -1.94 0.74 0.61 -0.17 0.00 0.00 175.17 174.41 1zza n GLY 56 N 5.44 0.03 0.00 2.66 0.00 -1.26 -4.99 105.19 107.07 1zza n GLY 56 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.41 0.00 0.00 1.61 -0.00 -1.26 -5.13 120.64 115.44 1zza n GLU 57 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.09 1zza n GLU 57 Cb 0.58 -0.09 0.00 0.00 -0.00 0.00 0.00 31.44 31.93 1zza n GLU 57 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1zza n THR 58 N -1.29 0.00 -1.65 3.84 5.66 -1.26 -4.94 114.28 114.64 1zza n THR 58 Ca 0.00 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.55 1zza n THR 58 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1zza n THR 58 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1zza n LYS 59 N 0.00 1.80 -3.80 1.09 0.00 -1.26 -4.99 118.16 110.99 1zza n LYS 59 Ca 0.00 0.63 -0.13 0.00 -0.00 0.00 0.00 58.31 58.82 1zza n LYS 59 Cb 0.00 -2.19 -0.13 0.00 -0.00 0.00 0.00 35.03 32.72 1zza n LYS 59 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1zza s GLU 60 N -1.07 0.17 0.83 -1.58 0.41 -1.26 -4.94 118.70 111.26 1zza s GLU 60 Ca 0.63 0.26 -0.12 0.00 -0.41 0.00 0.00 54.97 55.33 1zza s GLU 60 Cb -0.66 0.03 0.19 0.00 -1.78 0.00 0.00 34.13 31.90 1zza s GLU 60 CO 0.56 -0.05 1.13 -0.35 -0.49 0.00 0.00 175.26 176.06 1zza n PRO 61 N 3.26 -0.92 -1.14 0.39 -0.04 -1.26 -5.02 135.00 130.27 1zza n PRO 61 Ca -0.15 -1.99 -0.35 0.00 -0.04 0.00 0.00 63.50 60.97 1zza n PRO 61 Cb 0.57 -1.09 0.10 0.00 -0.04 0.00 0.00 33.50 33.04 1zza n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1zza n PHE 62 N -3.45 0.09 -0.16 0.54 3.72 -1.26 -4.42 117.46 112.52 1zza n PHE 62 Ca 0.15 0.36 0.25 0.00 -0.05 0.00 0.00 57.45 58.16 1zza n PHE 62 Cb 0.52 -1.99 0.68 0.00 -0.94 0.00 0.00 39.48 37.75 1zza n PHE 62 CO 0.00 0.00 0.00 1.37 -0.05 0.00 0.00 176.76 178.08 1zza h LEU 63 N -0.74 0.08 0.79 4.37 8.10 -1.97 0.38 115.31 126.32 1zza h LEU 63 Ca -0.46 0.01 -0.04 0.00 0.11 0.00 0.00 57.88 57.50 1zza h LEU 63 Cb 1.32 -0.01 0.01 0.00 -0.44 0.00 0.00 40.66 41.54 1zza h LEU 63 CO 0.43 0.03 -0.38 0.25 -4.11 0.00 0.00 178.44 174.67 1zza h LEU 64 N 0.08 -0.90 -1.12 0.17 5.85 -1.99 0.12 115.31 117.52 1zza h LEU 64 Ca 0.40 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 59.06 1zza h LEU 64 Cb 1.48 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1zza h LEU 64 CO -0.04 -0.59 -0.23 0.58 -0.34 0.00 0.00 178.44 177.82 1zza h VAL 65 N -1.15 1.24 0.77 1.05 2.07 -1.65 0.18 116.25 118.77 1zza h VAL 65 Ca -0.11 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 1zza h VAL 65 Cb 0.82 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1zza h VAL 65 CO 0.18 0.35 -0.49 -0.61 0.02 0.00 0.00 177.57 177.02 1zza h GLN 66 N 0.30 -1.14 -0.43 1.57 4.15 -0.05 0.57 115.11 120.09 1zza h GLN 66 Ca 0.05 0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1zza h GLN 66 Cb 0.58 0.26 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 1zza h GLN 66 CO 0.04 -0.76 0.09 -0.92 -1.93 0.00 0.00 178.83 175.35 1zza h TYR 67 N -1.18 0.66 -0.70 3.99 3.20 -0.66 0.56 116.97 122.85 1zza h TYR 67 Ca -0.10 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 1zza h TYR 67 Cb 0.95 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1zza h TYR 67 CO -0.12 0.58 0.38 0.77 -1.64 0.00 0.00 178.16 178.13 1zza h SER 68 N 0.63 0.88 0.14 -2.11 0.02 -0.07 0.25 113.55 113.28 1zza h SER 68 Ca 0.14 -0.10 -0.34 0.00 -0.84 0.00 0.00 61.79 60.65 1zza h SER 68 Cb 0.26 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1zza h SER 68 CO -0.00 0.73 -1.80 0.00 -1.14 0.00 0.00 176.83 174.63 1zza h ALA 69 N 1.19 0.30 -0.48 3.77 0.00 0.53 -3.37 119.26 121.20 1zza h ALA 69 Ca 0.25 -1.26 -0.08 0.00 0.00 0.00 0.00 54.91 53.81 1zza h ALA 69 Cb 0.05 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1zza h ALA 69 CO -0.04 1.12 -0.02 0.87 0.00 0.00 0.00 179.25 181.18 1zza h LYS 70 N -0.04 0.86 -0.37 0.00 1.79 0.10 -1.08 116.57 117.82 1zza h LYS 70 Ca -0.38 -0.29 0.04 0.00 -2.18 0.00 0.00 60.65 57.85 1zza h LYS 70 Cb 1.97 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 32.48 1zza h LYS 70 CO 0.09 0.91 -0.42 0.78 -1.08 0.00 0.00 179.45 179.74 1zza h GLY 71 N 0.71 -1.27 1.29 3.86 0.00 -0.66 2.09 103.07 109.10 1zza h GLY 71 Ca 0.13 0.78 -0.10 0.00 0.00 0.00 0.00 47.33 48.14 1zza h GLY 71 CO 0.03 -0.28 -0.12 -0.56 0.00 0.00 0.00 176.54 175.61 1zza h PRO 72 N -0.25 0.83 -0.38 4.80 0.13 -1.71 0.30 132.00 135.73 1zza h PRO 72 Ca 0.06 -0.29 -0.06 0.00 -0.87 0.00 0.00 66.00 64.84 1zza h PRO 72 Cb 0.42 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1zza h PRO 72 CO -0.48 0.91 -0.00 0.00 -0.23 0.00 0.00 178.00 178.20 1zza h VAL 74 N 0.50 1.33 -0.76 0.00 2.07 0.35 -1.22 116.25 118.51 1zza h VAL 74 Ca 0.11 -1.51 0.08 0.00 0.82 0.00 0.00 66.70 66.20 1zza h VAL 74 Cb 0.47 1.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 1zza h VAL 74 CO 0.02 0.47 0.42 -0.08 0.02 0.00 0.00 177.57 178.42 1zza h GLU 75 N 0.25 0.71 -0.08 1.57 4.81 -0.33 0.56 114.58 122.07 1zza h GLU 75 Ca 0.02 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1zza h GLU 75 Cb 0.89 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1zza h GLU 75 CO 0.07 0.47 -0.05 0.00 -0.73 0.00 0.00 179.01 178.77 1zza h ARG 76 N 0.73 0.17 0.52 1.92 -0.00 -1.19 -1.32 114.38 115.22 1zza h ARG 76 Ca 0.36 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.98 59.74 1zza h ARG 76 Cb 0.31 -0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.29 1zza h ARG 76 CO -0.23 0.57 -0.25 0.87 0.00 0.00 0.00 179.97 180.92 1zza h LYS 77 N -0.23 -0.67 -0.28 0.04 1.57 -0.70 0.19 116.57 116.49 1zza h LYS 77 Ca 0.02 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1zza h LYS 77 Cb 0.52 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.92 1zza h LYS 77 CO 0.01 -0.45 -0.11 0.00 -0.57 0.00 0.00 179.45 178.33 1zza h ALA 78 N -0.22 0.12 0.00 3.86 0.00 0.05 0.37 119.26 123.44 1zza h ALA 78 Ca -0.07 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1zza h ALA 78 Cb 0.54 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1zza h ALA 78 CO 0.12 -0.51 -0.23 1.57 0.00 0.00 0.00 179.25 180.20 1zza h LYS 79 N -0.07 0.00 0.02 0.00 2.10 -1.12 0.49 116.57 117.99 1zza h LYS 79 Ca 0.14 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.57 1zza h LYS 79 Cb 0.29 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.59 1zza h LYS 79 CO -0.33 0.23 -1.07 1.25 -2.00 0.00 0.00 179.45 177.52 1zza h LEU 80 N 0.00 0.06 0.04 7.07 5.85 0.11 -3.37 115.31 125.07 1zza h LEU 80 Ca -0.00 -0.07 -0.27 0.00 0.84 0.00 0.00 57.88 58.38 1zza h LEU 80 Cb 0.57 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1zza h LEU 80 CO 0.03 1.06 -1.46 -0.03 -0.34 0.00 0.00 178.44 177.70 1zza h MET 81 N 0.01 0.08 -7.44 1.25 4.05 -0.04 -3.48 114.93 109.35 1zza h MET 81 Ca -0.04 -0.13 -0.47 0.00 -0.28 0.00 0.00 59.70 58.78 1zza h MET 81 Cb 1.81 0.05 0.09 0.00 -0.80 0.00 0.00 31.60 32.75 1zza h MET 81 CO 0.14 1.06 0.32 0.95 0.23 0.00 0.00 176.91 179.61 1zza s THR 82 N -2.42 2.36 -2.00 -0.77 -4.23 0.17 -4.95 115.64 103.80 1zza s THR 82 Ca -0.27 -0.06 0.10 0.00 -1.18 0.00 0.00 61.69 60.28 1zza s THR 82 Cb 0.06 -3.08 0.29 0.00 1.34 0.00 0.00 72.50 71.12 1zza s THR 82 CO 0.64 -0.09 1.25 -0.81 -0.54 0.00 0.00 174.62 175.07 1zza n PRO 83 N -3.08 0.81 -1.63 3.99 -0.04 -1.26 -4.69 135.00 129.11 1zza n PRO 83 Ca 0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 1zza n PRO 83 Cb 0.60 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.70 -4.38 0.00 3.54 4.05 -1.26 -4.52 115.26 111.99 1zza n ASN 84 Ca 0.08 0.35 0.00 0.00 0.45 0.00 0.00 54.58 55.46 1zza n ASN 84 Cb 0.04 -3.93 0.00 0.00 1.23 0.00 0.00 39.78 37.12 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1zza n GLY 85 N -0.40 -1.46 2.61 8.20 0.00 -1.26 -4.92 105.19 107.96 1zza n GLY 85 Ca -0.17 0.48 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 1zza n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1zza n PRO 86 N -0.73 -2.10 0.00 1.61 -0.04 -1.26 0.09 135.00 132.57 1zza n PRO 86 Ca 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1zza n PRO 86 Cb 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1zza n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1zza n GLU 87 N -3.67 0.00 0.05 0.54 0.00 -1.26 -3.36 120.64 112.94 1zza n GLU 87 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.21 1zza n GLU 87 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.75 1zza n GLU 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1zza h VAL 88 N 0.00 1.38 -5.94 6.31 2.07 -1.99 -3.49 116.25 114.59 1zza h VAL 88 Ca 0.00 -3.08 -0.37 0.00 0.82 0.00 0.00 66.70 64.07 1zza h VAL 88 Cb 0.00 2.67 0.11 0.00 -1.52 0.00 0.00 31.29 32.55 1zza h VAL 88 CO 0.00 0.78 -0.88 1.41 0.02 0.00 0.00 177.57 178.90 1zza n HIS 89 N -3.25 -2.08 -0.30 1.57 8.25 0.11 -4.94 115.22 114.59 1zza n HIS 89 Ca -0.04 0.69 0.00 0.00 -0.26 0.00 0.00 57.72 58.11 1zza n HIS 89 Cb 0.94 -3.95 0.00 0.00 1.12 0.00 0.00 29.99 28.10 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39