#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 6.58 -1.49 1.61 0.15 -1.26 -4.88 113.70 114.41 1zza s SER 2 Ca 0.00 2.43 -0.12 0.00 0.70 0.00 0.00 55.95 58.97 1zza s SER 2 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1zza s SER 2 CO 0.00 -0.96 2.46 0.23 1.20 0.00 0.00 173.24 176.17 1zza n MET 3 N 6.85 3.31 0.04 5.44 2.00 -1.26 -4.09 117.12 129.40 1zza n MET 3 Ca 0.18 -2.60 0.00 0.00 0.00 0.00 0.00 57.70 55.28 1zza n MET 3 Cb 0.42 -3.06 0.00 0.00 0.00 0.00 0.00 33.22 30.58 1zza n MET 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1zza n SER 4 N 4.80 -0.45 -1.91 7.83 3.41 -1.26 -4.80 113.62 121.25 1zza n SER 4 Ca 0.61 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1zza n SER 4 Cb 0.33 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1zza n ILE 5 N -2.67 0.00 -1.73 -1.33 -6.64 -1.26 -4.56 119.36 101.17 1zza n ILE 5 Ca 0.00 0.00 -0.39 0.00 -1.77 0.00 0.00 62.75 60.59 1zza n ILE 5 Cb 0.00 -1.06 -0.02 0.00 -1.44 0.00 0.00 39.64 37.13 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 -0.95 4.23 0.17 6.28 2.81 -1.26 -4.19 117.12 124.21 1zza n MET 6 Ca 0.00 -2.97 0.04 0.00 -1.81 0.00 0.00 57.70 52.96 1zza n MET 6 Cb 0.00 -2.68 0.26 0.00 -0.71 0.00 0.00 33.22 30.09 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 4.71 0.00 -2.05 7.83 2.03 -1.94 -3.36 116.42 123.65 1zza h ASP 7 Ca 0.76 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 56.49 1zza h ASP 7 Cb 0.31 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.41 1zza h ASP 7 CO 1.58 0.45 -1.01 1.41 -1.03 0.00 0.00 179.24 180.64 1zza n HIS 8 N -3.53 0.41 -0.53 4.15 8.25 -1.26 -4.75 115.22 117.95 1zza n HIS 8 Ca -0.00 -3.67 0.07 0.00 -0.26 0.00 0.00 57.72 53.86 1zza n HIS 8 Cb 0.57 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1zza n HIS 8 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1zza n SER 9 N 1.32 -3.16 0.00 0.41 3.41 -1.26 -4.06 113.62 110.28 1zza n SER 9 Ca 0.23 0.26 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 1zza n SER 9 Cb 0.51 -1.64 0.33 0.00 -0.26 0.00 0.00 64.21 63.14 1zza n SER 9 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1zza n PRO 10 N -2.51 0.01 -0.24 4.33 -0.04 -1.26 -3.34 135.00 131.95 1zza n PRO 10 Ca -0.00 0.23 -0.05 0.00 -0.04 0.00 0.00 63.50 63.64 1zza n PRO 10 Cb 0.24 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.26 1zza n PRO 10 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1zza h THR 11 N 0.00 1.15 -0.82 0.52 1.35 -1.97 -1.28 112.91 111.87 1zza h THR 11 Ca 0.00 -0.31 0.07 0.00 -0.55 0.00 0.00 66.41 65.63 1zza h THR 11 Cb 0.26 0.18 -0.05 0.00 -1.73 0.00 0.00 68.15 66.80 1zza h THR 11 CO 0.00 0.16 0.53 0.71 -0.25 0.00 0.00 175.52 176.68 1zza h THR 12 N 0.90 1.02 0.08 6.82 1.35 -1.69 0.28 112.91 121.66 1zza h THR 12 Ca 0.25 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1zza h THR 12 Cb -0.08 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.43 1zza h THR 12 CO -0.07 0.16 -0.04 1.23 -0.25 0.00 0.00 175.52 176.55 1zza h GLY 13 N 0.86 -0.11 0.51 5.82 0.00 -1.58 0.23 103.07 108.78 1zza h GLY 13 Ca 0.36 0.04 0.12 0.00 0.00 0.00 0.00 47.33 47.85 1zza h GLY 13 CO -0.13 -0.04 0.63 -2.08 0.00 0.00 0.00 176.54 174.91 1zza h VAL 14 N -0.69 0.93 -0.23 4.60 2.07 -0.76 0.19 116.25 122.36 1zza h VAL 14 Ca -0.01 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1zza h VAL 14 Cb 0.55 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1zza h VAL 14 CO 0.02 0.18 -0.32 0.58 0.02 0.00 0.00 177.57 178.04 1zza h VAL 15 N 0.98 1.32 0.05 2.57 2.07 -0.42 -0.33 116.25 122.49 1zza h VAL 15 Ca 0.48 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1zza h VAL 15 Cb 0.48 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1zza h VAL 15 CO -0.25 0.48 -0.05 0.74 0.02 0.00 0.00 177.57 178.51 1zza h THR 16 N 0.33 0.89 -0.28 2.57 2.02 0.29 0.19 112.91 118.91 1zza h THR 16 Ca 0.02 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1zza h THR 16 Cb 0.91 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1zza h THR 16 CO 0.08 0.00 -0.20 -0.37 0.37 0.00 0.00 175.52 175.39 1zza h VAL 17 N -0.11 1.26 -0.44 3.16 -1.51 -0.70 -0.75 116.25 117.16 1zza h VAL 17 Ca 0.00 -1.19 -0.12 0.00 -1.23 0.00 0.00 66.70 64.17 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 -0.02 0.38 -0.18 0.40 -1.23 0.00 0.00 177.57 176.93 1zza h ILE 18 N 0.47 1.27 -0.37 7.19 1.08 -0.61 0.41 117.51 126.95 1zza h ILE 18 Ca 0.07 -1.32 -0.04 0.00 -0.39 0.00 0.00 64.86 63.19 1zza h ILE 18 Cb 0.62 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1zza h ILE 18 CO 0.04 0.45 0.07 0.58 -0.69 0.00 0.00 178.15 178.61 1zza h VAL 19 N 0.72 1.23 -0.28 1.67 2.07 -0.43 0.47 116.25 121.71 1zza h VAL 19 Ca 0.10 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1zza h VAL 19 Cb 0.74 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1zza h VAL 19 CO 0.06 0.27 0.15 0.40 0.02 0.00 0.00 177.57 178.47 1zza h ILE 20 N 0.45 1.13 -0.08 4.57 1.08 -0.95 0.27 117.51 123.98 1zza h ILE 20 Ca 0.11 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1zza h ILE 20 Cb 0.33 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1zza h ILE 20 CO 0.00 0.13 0.05 -0.07 -0.69 0.00 0.00 178.15 177.57 1zza h LEU 21 N 0.33 0.09 -0.69 1.44 3.38 0.05 0.31 115.31 120.22 1zza h LEU 21 Ca 0.10 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1zza h LEU 21 Cb 0.08 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1zza h LEU 21 CO -0.01 0.10 0.38 0.40 0.09 0.00 0.00 178.44 179.40 1zza h ILE 22 N 0.08 0.96 -0.29 1.22 2.04 0.24 0.17 117.51 121.94 1zza h ILE 22 Ca 0.03 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1zza h ILE 22 Cb 0.02 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1zza h ILE 22 CO -0.01 0.13 0.08 0.00 0.00 0.00 0.00 178.15 178.35 1zza h ALA 23 N 1.36 0.38 -0.22 1.87 0.00 0.09 0.23 119.26 122.98 1zza h ALA 23 Ca 0.31 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1zza h ALA 23 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1zza h ALA 23 CO -0.19 0.03 0.11 0.82 0.00 0.00 0.00 179.25 180.02 1zza h ILE 24 N 0.31 1.01 -0.44 0.00 2.04 0.26 0.26 117.51 120.95 1zza h ILE 24 Ca 0.09 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1zza h ILE 24 Cb 0.26 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1zza h ILE 24 CO -0.00 0.04 0.24 0.00 0.00 0.00 0.00 178.15 178.43 1zza h ALA 25 N 1.10 0.56 -0.02 1.87 0.00 -0.50 0.33 119.26 122.61 1zza h ALA 25 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zza h ALA 25 Cb 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1zza h ALA 25 CO -0.05 0.09 0.01 0.00 0.00 0.00 0.00 179.25 179.30 1zza h ALA 26 N 1.09 0.03 -0.45 0.00 0.00 -0.13 0.26 119.26 120.06 1zza h ALA 26 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1zza h ALA 26 Cb 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1zza h ALA 26 CO -0.02 -0.46 0.24 1.25 0.00 0.00 0.00 179.25 180.26 1zza h LEU 27 N -0.00 0.37 -0.45 0.00 6.46 -0.23 0.40 115.31 121.86 1zza h LEU 27 Ca 0.01 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1zza h LEU 27 Cb 0.03 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 1zza h LEU 27 CO -0.00 0.26 0.23 1.23 -0.62 0.00 0.00 178.44 179.55 1zza h GLY 28 N 0.48 0.63 0.99 3.75 0.00 0.12 0.25 103.07 109.29 1zza h GLY 28 Ca 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1zza h GLY 28 CO -0.11 0.12 0.17 0.00 0.00 0.00 0.00 176.54 176.71 1zza h ALA 29 N 1.23 0.73 -0.82 3.60 0.00 0.27 0.16 119.26 124.44 1zza h ALA 29 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1zza h ALA 29 Cb 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1zza h ALA 29 CO -0.13 0.40 0.47 -0.07 0.00 0.00 0.00 179.25 179.92 1zza h LEU 30 N 0.77 1.00 0.12 0.00 3.38 0.47 0.30 115.31 121.36 1zza h LEU 30 Ca 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1zza h LEU 30 Cb 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1zza h LEU 30 CO -0.00 0.80 -0.06 0.40 0.09 0.00 0.00 178.44 179.67 1zza h ILE 31 N 1.13 1.05 -0.57 1.22 2.04 -0.12 0.67 117.51 122.94 1zza h ILE 31 Ca 0.29 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.45 1zza h ILE 31 Cb 0.00 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1zza h ILE 31 CO -0.05 0.18 0.26 0.25 0.00 0.00 0.00 178.15 178.79 1zza h LEU 32 N -0.53 0.34 0.32 1.44 5.85 -0.46 0.21 115.31 122.49 1zza h LEU 32 Ca -0.02 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1zza h LEU 32 Cb 0.42 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1zza h LEU 32 CO 0.03 0.22 -0.16 1.23 -0.34 0.00 0.00 178.44 179.43 1zza h GLY 33 N 0.49 -0.46 0.66 3.75 0.00 -0.35 0.38 103.07 107.55 1zza h GLY 33 Ca 0.26 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.85 1zza h GLY 33 CO -0.21 -0.17 0.63 0.00 0.00 0.00 0.00 176.54 176.79 1zza h TRP 35 N 1.07 -0.21 0.00 0.00 -0.00 -0.38 -3.45 115.95 112.98 1zza h TRP 35 Ca 0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.33 1zza h TRP 35 Cb 0.31 0.07 0.00 0.00 -0.00 0.00 0.00 29.16 29.53 1zza h TRP 35 CO -0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 178.44 178.31 1zza n TYR 37 N 0.00 0.11 0.00 0.00 4.01 -1.26 -4.50 117.16 115.52 1zza n TYR 37 Ca 0.00 0.03 -0.18 0.00 -0.16 0.00 0.00 57.90 57.60 1zza n TYR 37 Cb 0.00 -0.75 -0.14 0.00 -0.31 0.00 0.00 39.34 38.14 1zza n TYR 37 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1zza h LEU 38 N 0.00 0.30 -3.28 7.72 5.85 -1.24 -3.46 115.31 121.19 1zza h LEU 38 Ca -0.22 -0.97 -0.18 0.00 0.84 0.00 0.00 57.88 57.36 1zza h LEU 38 Cb 1.51 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1zza h LEU 38 CO 0.01 1.26 -0.33 -2.11 -0.34 0.00 0.00 178.44 176.93 1zza n ARG 39 N -4.30 -0.69 -1.23 1.25 0.00 -1.25 0.20 116.66 110.63 1zza n ARG 39 Ca -0.13 -0.16 -0.09 0.00 -0.00 0.00 0.00 57.85 57.47 1zza n ARG 39 Cb 0.70 -0.30 -0.04 0.00 -0.00 0.00 0.00 32.46 32.83 1zza n ARG 39 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1zza n LEU 40 N -1.90 -0.15 -0.06 2.89 7.94 -1.26 -4.82 117.00 119.64 1zza n LEU 40 Ca -0.06 0.22 0.10 0.00 -1.11 0.00 0.00 56.01 55.17 1zza n LEU 40 Cb 0.19 -2.55 0.59 0.00 0.53 0.00 0.00 43.42 42.18 1zza n LEU 40 CO 0.22 -0.99 0.88 1.67 -1.11 0.00 0.00 177.39 178.07 1zza n GLN 41 N -0.54 1.08 0.00 1.96 7.27 0.53 -3.74 117.38 123.93 1zza n GLN 41 Ca -0.09 -0.12 0.00 0.00 0.07 0.00 0.00 57.00 56.86 1zza n GLN 41 Cb 0.55 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.87 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1zza n ARG 42 N -0.70 0.00 -0.15 3.69 0.63 -1.26 -4.89 116.66 113.98 1zza n ARG 42 Ca 0.16 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.23 1zza n ARG 42 Cb 0.10 0.00 0.49 0.00 0.45 0.00 0.00 32.46 33.50 1zza n ARG 42 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1zza h ILE 43 N 0.00 0.83 0.00 5.15 -0.00 -1.95 -3.46 117.51 118.09 1zza h ILE 43 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 64.86 64.71 1zza h ILE 43 Cb 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 36.82 37.17 1zza h ILE 43 CO 0.00 0.08 0.00 -0.24 -0.00 0.00 0.00 178.15 177.99 1zza n SER 44 N -4.48 0.00 -1.73 2.16 2.88 -1.25 -1.65 113.62 109.55 1zza n SER 44 Ca 0.13 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.74 1zza n SER 44 Cb 0.48 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.32 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza n GLN 45 N 0.00 4.59 -1.17 -1.46 10.64 -1.26 -4.69 117.38 124.03 1zza n GLN 45 Ca 0.00 -3.12 -0.17 0.00 -1.83 0.00 0.00 57.00 51.87 1zza n GLN 45 Cb 0.00 -2.20 -0.12 0.00 -0.86 0.00 0.00 30.24 27.05 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 0.43 5.72 -0.02 2.61 7.64 -0.66 -4.98 113.62 124.36 1zza n SER 46 Ca 0.27 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.39 1zza n SER 46 Cb 1.15 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1zza n SER 46 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1zza n GLU 47 N 1.84 0.00 -1.93 1.43 0.00 -1.26 -4.84 120.64 115.87 1zza n GLU 47 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 57.41 1zza n GLU 47 Cb 0.77 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 32.16 1zza n GLU 47 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1zza n ASP 48 N -3.30 -5.22 0.05 4.31 2.03 -1.26 -4.85 116.55 108.32 1zza n ASP 48 Ca 0.00 0.27 -0.20 0.00 0.52 0.00 0.00 54.79 55.39 1zza n ASP 48 Cb 0.00 -4.51 -0.10 0.00 -0.72 0.00 0.00 41.12 35.79 1zza n ASP 48 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1zza h GLU 49 N 0.00 0.66 -4.12 -0.67 4.57 -1.94 -3.46 114.58 109.63 1zza h GLU 49 Ca -0.42 -0.73 -0.17 0.00 -1.18 0.00 0.00 59.36 56.87 1zza h GLU 49 Cb 1.28 0.21 -0.19 0.00 -0.16 0.00 0.00 28.75 29.89 1zza h GLU 49 CO 0.55 1.31 -0.70 -2.00 -1.18 0.00 0.00 179.01 176.99 1zza s GLU 50 N -3.28 0.43 0.00 1.92 -6.30 -1.26 -4.73 118.70 105.48 1zza s GLU 50 Ca -0.09 -0.81 0.00 0.00 -2.50 0.00 0.00 54.97 51.56 1zza s GLU 50 Cb 0.07 0.10 0.00 0.00 0.00 0.00 0.00 34.13 34.30 1zza s GLU 50 CO 0.92 -0.06 0.49 0.43 0.02 0.00 0.00 175.26 177.06 1zza n SER 51 N 1.12 -0.31 -0.01 -1.70 7.64 -1.26 -4.95 113.62 114.16 1zza n SER 51 Ca -0.21 -0.98 -0.01 0.00 1.01 0.00 0.00 58.87 58.68 1zza n SER 51 Cb 0.57 0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.85 1zza n SER 51 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1zza n ILE 52 N 0.00 0.07 0.00 0.44 5.41 -1.26 -4.97 119.36 119.05 1zza n ILE 52 Ca -0.09 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1zza n ILE 52 Cb 0.44 -0.81 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 1zza n ILE 52 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1zza n VAL 53 N -2.68 0.00 0.00 1.39 0.31 -1.26 -4.95 118.33 111.15 1zza n VAL 53 Ca -0.02 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1zza n VAL 53 Cb 0.52 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1zza n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1zza n GLY 54 N 2.46 1.04 2.12 2.92 0.00 -1.26 -4.75 105.19 107.72 1zza n GLY 54 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1zza n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zza n ASP 55 N 2.56 0.99 0.00 1.61 2.03 -1.26 -4.81 116.55 117.68 1zza n ASP 55 Ca 0.00 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 52.93 1zza n ASP 55 Cb 0.00 0.69 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zza n GLY 56 N 0.28 -0.46 0.12 0.27 0.00 -1.26 -4.88 105.19 99.26 1zza n GLY 56 Ca -0.03 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.21 0.42 -2.10 1.61 0.00 -1.26 -5.00 120.64 112.09 1zza n GLU 57 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 57.16 56.89 1zza n GLU 57 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.95 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 -1.08 -6.34 -4.45 3.84 -1.04 -1.26 -5.08 114.28 98.88 1zza n THR 58 Ca 0.09 0.55 -0.25 0.00 -2.04 0.00 0.00 64.05 62.40 1zza n THR 58 Cb 0.34 -5.48 -0.10 0.00 -1.82 0.00 0.00 70.33 63.27 1zza n THR 58 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1zza s LYS 59 N -1.45 1.66 0.05 -2.82 -2.85 -1.26 -5.06 119.74 108.02 1zza s LYS 59 Ca 0.08 -1.69 -0.24 0.00 -1.00 0.00 0.00 55.97 53.12 1zza s LYS 59 Cb -0.02 -1.81 -0.17 0.00 -2.06 0.00 0.00 37.83 33.77 1zza s LYS 59 CO 0.36 0.35 1.58 1.49 0.10 0.00 0.00 175.35 179.22 1zza h GLU 60 N 2.51 -0.07 -7.31 1.78 4.81 -2.00 -3.38 114.58 110.91 1zza h GLU 60 Ca -0.42 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.32 1zza h GLU 60 Cb 1.25 0.02 0.15 0.00 0.63 0.00 0.00 28.75 30.79 1zza h GLU 60 CO 0.57 0.10 0.26 -1.25 -0.73 0.00 0.00 179.01 177.95 1zza s PRO 61 N -5.57 1.48 0.00 0.92 0.04 -1.26 -2.26 135.00 128.35 1zza s PRO 61 Ca -0.14 1.02 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1zza s PRO 61 Cb 0.04 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1zza s PRO 61 CO 0.65 -2.14 0.00 0.34 0.04 0.00 0.00 177.00 175.89 1zza n PHE 62 N -3.84 0.00 -0.17 0.56 -0.00 -1.26 -4.27 117.46 108.48 1zza n PHE 62 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.45 1zza n PHE 62 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 40.03 1zza n PHE 62 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1zza h LEU 63 N 0.00 0.63 0.25 -2.13 3.38 -1.74 0.28 115.31 115.97 1zza h LEU 63 Ca 0.00 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1zza h LEU 63 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1zza h LEU 63 CO 0.00 0.59 -0.34 0.25 0.09 0.00 0.00 178.44 179.03 1zza h LEU 64 N 0.63 -0.95 -0.97 1.67 5.85 -1.63 0.12 115.31 120.03 1zza h LEU 64 Ca 0.16 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 1zza h LEU 64 Cb 0.12 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1zza h LEU 64 CO -0.02 -0.46 -0.25 -0.37 -0.34 0.00 0.00 178.44 177.00 1zza h VAL 65 N -0.65 1.26 0.13 1.05 -1.51 -1.83 0.14 116.25 114.84 1zza h VAL 65 Ca 0.00 -1.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.21 1zza h VAL 65 Cb 0.62 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1zza h VAL 65 CO -0.12 0.40 -0.06 -0.61 -1.23 0.00 0.00 177.57 175.94 1zza h GLN 66 N 0.39 -0.17 -0.54 5.19 4.15 -0.47 0.15 115.11 123.82 1zza h GLN 66 Ca 0.06 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 1zza h GLN 66 Cb 0.66 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1zza h GLN 66 CO 0.05 -0.07 -0.12 -0.92 -1.93 0.00 0.00 178.83 175.84 1zza h TYR 67 N -0.23 1.16 -0.23 3.99 5.03 -0.66 0.35 116.97 126.37 1zza h TYR 67 Ca -0.02 -0.24 -0.00 0.00 2.58 0.00 0.00 58.73 61.04 1zza h TYR 67 Cb 0.18 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 1zza h TYR 67 CO -0.05 1.07 0.13 0.77 -1.32 0.00 0.00 178.16 178.76 1zza h SER 68 N 0.91 0.27 0.00 -2.11 0.02 -0.47 -0.43 113.55 111.74 1zza h SER 68 Ca 0.14 -0.01 -0.30 0.00 -0.84 0.00 0.00 61.79 60.78 1zza h SER 68 Cb 0.69 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1zza h SER 68 CO 0.05 0.22 -1.69 0.00 -1.14 0.00 0.00 176.83 174.28 1zza n ALA 69 N -2.50 0.92 -0.24 3.77 0.00 0.02 -4.27 120.51 118.21 1zza n ALA 69 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 52.71 1zza n ALA 69 Cb 0.09 -0.24 0.11 0.00 0.00 0.00 0.00 19.45 19.41 1zza n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1zza h LYS 70 N -1.00 0.66 -0.17 0.00 1.79 -0.34 0.19 116.57 117.70 1zza h LYS 70 Ca -0.45 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.01 1zza h LYS 70 Cb 1.36 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.82 1zza h LYS 70 CO -0.27 0.44 -0.29 0.78 -1.08 0.00 0.00 179.45 179.03 1zza h GLY 71 N 0.68 -1.42 1.08 3.86 0.00 -1.24 1.33 103.07 107.36 1zza h GLY 71 Ca 0.31 0.75 -0.10 0.00 0.00 0.00 0.00 47.33 48.29 1zza h GLY 71 CO -0.20 -0.41 -0.03 -0.56 0.00 0.00 0.00 176.54 175.35 1zza h PRO 72 N -0.24 1.04 -0.49 4.80 0.13 -1.71 0.22 132.00 135.75 1zza h PRO 72 Ca 0.03 -0.35 0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1zza h PRO 72 Cb 0.33 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.34 1zza h PRO 72 CO -0.29 1.04 0.31 0.00 -0.23 0.00 0.00 178.00 178.83 1zza h VAL 74 N 0.62 1.37 -0.94 0.00 2.07 0.19 -0.77 116.25 118.78 1zza h VAL 74 Ca 0.19 -1.40 0.09 0.00 0.82 0.00 0.00 66.70 66.40 1zza h VAL 74 Cb -0.02 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 1zza h VAL 74 CO -0.07 0.41 0.59 -0.08 0.02 0.00 0.00 177.57 178.44 1zza h GLU 75 N -0.05 0.96 -0.08 1.57 4.81 -0.26 0.42 114.58 121.96 1zza h GLU 75 Ca 0.01 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1zza h GLU 75 Cb 0.74 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 1zza h GLU 75 CO 0.04 0.64 -0.11 -0.09 -0.73 0.00 0.00 179.01 178.76 1zza h ARG 76 N 0.99 0.21 -0.07 1.92 1.12 -0.12 -1.21 114.38 117.22 1zza h ARG 76 Ca 0.44 -0.12 -0.08 0.00 -1.11 0.00 0.00 59.98 59.11 1zza h ARG 76 Cb 0.33 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 1zza h ARG 76 CO -0.23 0.68 -0.32 1.57 -3.11 0.00 0.00 179.97 178.56 1zza h LYS 77 N -0.24 0.14 -0.07 0.20 5.09 -0.65 0.34 116.57 121.37 1zza h LYS 77 Ca 0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 60.65 60.66 1zza h LYS 77 Cb 0.65 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.97 1zza h LYS 77 CO 0.03 0.45 -0.10 0.00 -2.09 0.00 0.00 179.45 177.73 1zza h ALA 78 N 1.55 0.11 -0.14 0.07 0.00 -0.13 -1.54 119.26 119.18 1zza h ALA 78 Ca 0.02 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1zza h ALA 78 Cb 0.64 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1zza h ALA 78 CO 0.05 -0.04 -0.55 1.57 0.00 0.00 0.00 179.25 180.28 1zza h LYS 79 N -0.26 0.43 -0.31 0.00 2.10 -1.08 0.92 116.57 118.37 1zza h LYS 79 Ca 0.01 -0.27 -0.03 0.00 -2.00 0.00 0.00 60.65 58.37 1zza h LYS 79 Cb 0.65 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1zza h LYS 79 CO 0.02 0.86 0.09 1.25 -2.00 0.00 0.00 179.45 179.68 1zza h LEU 80 N 0.33 0.45 -0.08 7.07 5.85 -0.31 0.20 115.31 128.82 1zza h LEU 80 Ca 0.01 -0.21 -0.21 0.00 0.84 0.00 0.00 57.88 58.31 1zza h LEU 80 Cb 1.06 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.99 1zza h LEU 80 CO 0.10 0.54 -0.78 -0.03 -0.34 0.00 0.00 178.44 177.93 1zza h MET 81 N 0.34 0.67 -2.18 1.25 4.05 -1.24 -3.37 114.93 114.45 1zza h MET 81 Ca 0.10 -0.61 -0.59 0.00 -0.28 0.00 0.00 59.70 58.32 1zza h MET 81 Cb 0.25 0.15 -0.41 0.00 -0.80 0.00 0.00 31.60 30.78 1zza h MET 81 CO -0.00 1.22 -0.70 0.25 0.23 0.00 0.00 176.91 177.90 1zza n THR 82 N -4.01 2.00 0.90 -0.77 -2.24 0.31 -4.87 114.28 105.61 1zza n THR 82 Ca -0.09 -5.12 0.13 0.00 -2.27 0.00 0.00 64.05 56.70 1zza n THR 82 Cb 0.75 -1.82 0.56 0.00 -2.10 0.00 0.00 70.33 67.72 1zza n THR 82 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1zza n PRO 83 N 0.63 0.01 0.00 -0.78 -0.04 0.69 -4.56 135.00 130.95 1zza n PRO 83 Ca 0.29 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1zza n PRO 83 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.50 0.00 -4.10 3.54 2.85 -1.26 -4.74 115.26 110.06 1zza n ASN 84 Ca 0.06 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.27 1zza n ASN 84 Cb 0.30 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.16 1zza n ASN 84 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1zza s GLY 85 N 0.00 0.92 0.41 8.20 0.00 -1.26 -5.01 107.32 110.58 1zza s GLY 85 Ca 0.00 -0.60 0.29 0.00 0.00 0.00 0.00 44.72 44.41 1zza s GLY 85 CO 0.00 -0.13 1.87 -0.56 0.00 0.00 0.00 173.10 174.28 1zza h PRO 86 N 6.65 0.00 -0.88 2.90 0.13 -1.94 -3.08 132.00 135.79 1zza h PRO 86 Ca -0.30 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.03 1zza h PRO 86 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 1zza h PRO 86 CO 0.48 0.00 0.40 1.05 -0.23 0.00 0.00 178.00 179.70 1zza h GLU 87 N 0.00 0.46 0.00 0.86 9.09 -1.94 -0.65 114.58 122.39 1zza h GLU 87 Ca 0.00 -0.03 -0.09 0.00 0.05 0.00 0.00 59.36 59.29 1zza h GLU 87 Cb 0.26 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.24 1zza h GLU 87 CO 0.00 0.30 -1.27 1.55 0.05 0.00 0.00 179.01 179.64 1zza n VAL 88 N -4.99 0.88 0.00 -1.06 3.14 -1.16 -4.95 118.33 110.19 1zza n VAL 88 Ca 0.20 -0.62 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1zza n VAL 88 Cb 0.58 -0.52 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 1zza n VAL 88 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1zza n HIS 89 N -2.76 0.00 0.00 1.45 8.25 -0.25 -5.08 115.22 116.82 1zza n HIS 89 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1zza n HIS 89 Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.81 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39