#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza h SER 2 N 0.00 0.16 -4.12 1.61 4.64 -2.04 -3.47 113.55 110.33 1zza h SER 2 Ca 0.00 -0.82 -0.37 0.00 -0.47 0.00 0.00 61.79 60.13 1zza h SER 2 Cb 0.00 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 61.95 1zza h SER 2 CO 0.00 0.96 -0.33 1.15 -0.87 0.00 0.00 176.83 177.74 1zza n MET 3 N -4.54 0.49 -3.95 4.77 -0.00 -1.26 -4.87 117.12 107.76 1zza n MET 3 Ca -0.10 -2.43 -0.31 0.00 -0.00 0.00 0.00 57.70 54.87 1zza n MET 3 Cb 0.50 1.63 0.02 0.00 -0.00 0.00 0.00 33.22 35.37 1zza n MET 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1zza n SER 4 N -1.86 -4.44 0.00 3.17 2.88 -1.26 -4.89 113.62 107.22 1zza n SER 4 Ca 0.00 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.73 1zza n SER 4 Cb 0.43 -3.72 0.00 0.00 -0.75 0.00 0.00 64.21 60.18 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 -4.63 0.00 -0.63 2.46 -0.00 -1.26 0.46 119.36 115.76 1zza n ILE 5 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 62.75 62.86 1zza n ILE 5 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.13 1zza n ILE 5 CO 0.00 0.00 0.00 0.80 -0.00 0.00 0.00 176.55 177.35 1zza n MET 6 N 0.00 -1.42 -3.21 6.28 1.56 -1.22 -3.05 117.12 116.06 1zza n MET 6 Ca 0.00 1.12 -0.17 0.00 -0.27 0.00 0.00 57.70 58.37 1zza n MET 6 Cb 0.00 -1.68 -0.02 0.00 2.15 0.00 0.00 33.22 33.67 1zza n MET 6 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1zza n ASP 7 N -3.16 -2.14 -4.07 6.12 8.00 -1.26 -1.02 116.55 119.03 1zza n ASP 7 Ca -0.03 -0.17 -0.30 0.00 0.71 0.00 0.00 54.79 54.99 1zza n ASP 7 Cb 0.30 -1.87 -0.02 0.00 -0.02 0.00 0.00 41.12 39.51 1zza n ASP 7 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 1zza n HIS 8 N -3.32 -1.74 -4.03 1.24 -0.00 -1.26 -4.87 115.22 101.23 1zza n HIS 8 Ca 0.01 0.78 0.04 0.00 0.46 0.00 0.00 57.72 59.01 1zza n HIS 8 Cb 0.51 -3.43 0.01 0.00 -0.12 0.00 0.00 29.99 26.96 1zza n HIS 8 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1zza n SER 9 N -2.84 -0.81 -4.78 0.26 7.64 -0.18 -5.05 113.62 107.87 1zza n SER 9 Ca -0.12 -1.03 -0.36 0.00 1.01 0.00 0.00 58.87 58.37 1zza n SER 9 Cb 0.59 1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 64.97 1zza n SER 9 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1zza s PRO 10 N -2.00 4.16 0.23 1.43 0.04 -1.26 -3.40 135.00 134.20 1zza s PRO 10 Ca 0.26 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.73 1zza s PRO 10 Cb -0.00 -2.54 0.38 0.00 0.04 0.00 0.00 34.50 32.38 1zza s PRO 10 CO -0.02 -0.14 1.68 1.79 0.04 0.00 0.00 177.00 180.34 1zza h THR 11 N 2.18 0.51 -0.38 1.26 1.35 0.09 0.35 112.91 118.28 1zza h THR 11 Ca -0.48 -0.07 -0.06 0.00 -0.55 0.00 0.00 66.41 65.25 1zza h THR 11 Cb 1.21 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1zza h THR 11 CO 0.62 0.04 -0.02 0.00 -0.25 0.00 0.00 175.52 175.91 1zza h THR 12 N 0.20 1.22 0.39 6.82 1.03 -1.91 0.10 112.91 120.76 1zza h THR 12 Ca 0.37 -0.90 -0.02 0.00 -0.01 0.00 0.00 66.41 65.85 1zza h THR 12 Cb 0.61 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1zza h THR 12 CO -0.51 0.31 -0.19 1.23 -0.01 0.00 0.00 175.52 176.35 1zza h GLY 13 N 0.90 -0.54 1.71 2.99 0.00 -0.80 0.13 103.07 107.46 1zza h GLY 13 Ca 0.12 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1zza h GLY 13 CO 0.02 -0.20 -0.05 -0.39 0.00 0.00 0.00 176.54 175.92 1zza h VAL 14 N -0.91 1.17 -0.05 4.60 -1.51 -0.73 -1.21 116.25 117.62 1zza h VAL 14 Ca -0.05 -0.71 -0.03 0.00 -1.23 0.00 0.00 66.70 64.67 1zza h VAL 14 Cb 0.55 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1zza h VAL 14 CO 0.09 0.23 -0.10 0.58 -1.23 0.00 0.00 177.57 177.15 1zza h VAL 15 N 0.35 1.43 -0.07 7.19 2.07 -0.75 -0.34 116.25 126.13 1zza h VAL 15 Ca 0.08 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1zza h VAL 15 Cb 0.31 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1zza h VAL 15 CO 0.01 0.39 0.05 0.71 0.02 0.00 0.00 177.57 178.75 1zza h THR 16 N -0.36 1.02 -0.54 2.57 1.35 -0.57 0.32 112.91 116.70 1zza h THR 16 Ca 0.00 -0.04 -0.05 0.00 -0.55 0.00 0.00 66.41 65.77 1zza h THR 16 Cb 0.67 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 1zza h THR 16 CO 0.02 0.02 0.12 -0.37 -0.25 0.00 0.00 175.52 175.06 1zza h VAL 17 N 0.09 1.23 -0.44 6.82 -1.51 -1.28 0.12 116.25 121.28 1zza h VAL 17 Ca 0.03 -0.82 -0.12 0.00 -1.23 0.00 0.00 66.70 64.55 1zza h VAL 17 Cb -0.01 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 29.82 1zza h VAL 17 CO -0.01 0.30 -0.21 0.40 -1.23 0.00 0.00 177.57 176.82 1zza h ILE 18 N 0.79 1.27 -0.44 7.19 1.08 -0.48 0.39 117.51 127.31 1zza h ILE 18 Ca 0.17 -1.35 -0.06 0.00 -0.39 0.00 0.00 64.86 63.23 1zza h ILE 18 Cb 0.30 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 1zza h ILE 18 CO -0.00 0.46 0.03 0.58 -0.69 0.00 0.00 178.15 178.53 1zza h VAL 19 N 0.77 1.26 -0.21 1.67 2.07 0.14 0.54 116.25 122.49 1zza h VAL 19 Ca 0.10 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1zza h VAL 19 Cb 0.76 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1zza h VAL 19 CO 0.06 0.34 0.07 0.40 0.02 0.00 0.00 177.57 178.46 1zza h ILE 20 N 0.61 1.18 -0.15 4.57 2.04 -0.50 0.11 117.51 125.38 1zza h ILE 20 Ca 0.13 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1zza h ILE 20 Cb 0.45 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1zza h ILE 20 CO 0.02 0.18 0.07 -0.07 0.00 0.00 0.00 178.15 178.35 1zza h LEU 21 N 0.16 0.11 -0.76 1.44 3.38 -0.01 0.35 115.31 119.99 1zza h LEU 21 Ca 0.07 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1zza h LEU 21 Cb 0.22 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1zza h LEU 21 CO -0.00 0.09 0.43 0.40 0.09 0.00 0.00 178.44 179.45 1zza h ILE 22 N 0.16 0.96 -0.27 1.22 2.04 0.32 0.25 117.51 122.19 1zza h ILE 22 Ca 0.06 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 1zza h ILE 22 Cb 0.01 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1zza h ILE 22 CO -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 178.15 178.23 1zza h ALA 23 N 1.39 0.36 -0.42 1.87 0.00 -0.08 0.16 119.26 122.54 1zza h ALA 23 Ca 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1zza h ALA 23 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1zza h ALA 23 CO -0.20 0.12 0.26 0.82 0.00 0.00 0.00 179.25 180.25 1zza h ILE 24 N 0.25 1.13 -0.53 0.00 2.04 0.36 0.46 117.51 121.21 1zza h ILE 24 Ca 0.07 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1zza h ILE 24 Cb 0.46 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1zza h ILE 24 CO 0.02 0.13 0.17 0.00 0.00 0.00 0.00 178.15 178.47 1zza h ALA 25 N 1.12 0.70 -0.57 1.87 0.00 -0.43 0.27 119.26 122.23 1zza h ALA 25 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1zza h ALA 25 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1zza h ALA 25 CO -0.03 0.36 0.19 0.00 0.00 0.00 0.00 179.25 179.76 1zza h ALA 26 N 1.03 0.74 -0.32 0.00 0.00 -0.24 0.30 119.26 120.78 1zza h ALA 26 Ca 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1zza h ALA 26 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1zza h ALA 26 CO -0.01 0.40 0.13 1.25 0.00 0.00 0.00 179.25 181.02 1zza h LEU 27 N 0.79 0.43 -0.29 0.00 6.46 0.26 0.35 115.31 123.31 1zza h LEU 27 Ca 0.18 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1zza h LEU 27 Cb 0.27 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 1zza h LEU 27 CO -0.01 0.47 0.16 1.23 -0.62 0.00 0.00 178.44 179.67 1zza h GLY 28 N 0.37 0.40 0.99 3.75 0.00 -0.09 0.27 103.07 108.74 1zza h GLY 28 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1zza h GLY 28 CO -0.01 0.10 0.28 0.00 0.00 0.00 0.00 176.54 176.91 1zza h ALA 29 N 1.14 0.60 -0.59 3.60 0.00 -0.03 0.35 119.26 124.33 1zza h ALA 29 Ca 0.12 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1zza h ALA 29 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1zza h ALA 29 CO -0.07 0.09 0.19 1.37 0.00 0.00 0.00 179.25 180.82 1zza h LEU 30 N 0.62 0.81 -0.08 0.00 8.10 0.24 0.16 115.31 125.16 1zza h LEU 30 Ca 0.17 -0.13 -0.05 0.00 0.11 0.00 0.00 57.88 57.98 1zza h LEU 30 Cb -0.00 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 40.01 1zza h LEU 30 CO -0.03 0.77 -0.15 0.40 -4.11 0.00 0.00 178.44 175.32 1zza h ILE 31 N 0.86 1.40 -0.12 0.15 2.04 0.08 0.23 117.51 122.15 1zza h ILE 31 Ca 0.19 -1.43 0.02 0.00 1.00 0.00 0.00 64.86 64.65 1zza h ILE 31 Cb 0.24 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1zza h ILE 31 CO -0.01 0.40 -0.02 -0.07 0.00 0.00 0.00 178.15 178.46 1zza h LEU 32 N -0.22 -0.08 -0.24 1.44 4.07 -0.09 -0.51 115.31 119.67 1zza h LEU 32 Ca 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1zza h LEU 32 Cb 0.72 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 1zza h LEU 32 CO 0.03 -0.03 -0.06 1.23 -1.08 0.00 0.00 178.44 178.54 1zza h GLY 33 N 0.02 0.50 0.54 0.83 0.00 -0.72 -0.89 103.07 103.34 1zza h GLY 33 Ca 0.06 -0.41 0.10 0.00 0.00 0.00 0.00 47.33 47.08 1zza h GLY 33 CO -0.11 0.38 0.61 0.00 0.00 0.00 0.00 176.54 177.41 1zza h TRP 35 N 1.00 -0.27 0.00 0.00 -0.00 -0.98 -3.48 115.95 112.22 1zza h TRP 35 Ca 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.35 1zza h TRP 35 Cb 0.39 0.09 0.00 0.00 -0.00 0.00 0.00 29.16 29.64 1zza h TRP 35 CO -0.01 0.11 0.00 0.00 -0.00 0.00 0.00 178.44 178.54 1zza n TYR 37 N 0.00 -4.39 0.01 0.00 9.36 -0.46 -4.79 117.16 116.90 1zza n TYR 37 Ca 0.00 1.38 -0.01 0.00 3.32 0.00 0.00 57.90 62.59 1zza n TYR 37 Cb 0.00 3.50 -0.00 0.00 -0.63 0.00 0.00 39.34 42.21 1zza n TYR 37 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1zza n LEU 38 N -3.32 0.58 0.13 2.98 7.94 -1.25 -4.25 117.00 119.80 1zza n LEU 38 Ca 0.00 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1zza n LEU 38 Cb 0.00 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1zza n LEU 38 CO 0.00 -0.57 0.00 -1.14 -1.11 0.00 0.00 177.39 174.57 1zza n ARG 39 N -3.04 0.00 0.00 1.96 3.00 -1.26 -4.11 116.66 113.21 1zza n ARG 39 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1zza n ARG 39 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.51 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 -3.07 0.00 -2.06 6.15 7.94 -1.26 -4.69 117.00 120.00 1zza n LEU 40 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1zza n LEU 40 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 1zza n LEU 40 CO 0.00 0.00 -0.13 1.67 -1.11 0.00 0.00 177.39 177.82 1zza n GLN 41 N 1.31 -1.93 -0.01 1.96 7.27 -1.26 -4.82 117.38 119.90 1zza n GLN 41 Ca 0.00 0.60 -0.13 0.00 0.07 0.00 0.00 57.00 57.54 1zza n GLN 41 Cb 0.00 -5.06 -0.10 0.00 2.41 0.00 0.00 30.24 27.49 1zza n GLN 41 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1zza h ARG 42 N 0.00 -0.05 0.00 3.69 9.65 -2.03 -3.27 114.38 122.38 1zza h ARG 42 Ca -0.26 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1zza h ARG 42 Cb 1.05 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1zza h ARG 42 CO 0.33 0.57 -0.65 0.82 2.80 0.00 0.00 179.97 183.83 1zza h ILE 43 N -0.71 0.02 -6.39 1.20 1.08 -2.02 -3.48 117.51 107.20 1zza h ILE 43 Ca -0.00 -1.03 -0.46 0.00 -0.39 0.00 0.00 64.86 62.98 1zza h ILE 43 Cb 0.63 1.69 0.05 0.00 -3.07 0.00 0.00 36.82 36.13 1zza h ILE 43 CO 0.01 0.01 -0.93 -1.20 -0.69 0.00 0.00 178.15 175.35 1zza n SER 44 N -2.84 -5.15 0.00 1.72 7.64 -1.24 -4.33 113.62 109.43 1zza n SER 44 Ca 0.01 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1zza n SER 44 Cb 0.55 -2.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.81 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 -4.17 0.00 -2.58 1.43 6.02 -1.26 -4.79 117.38 112.04 1zza n GLN 45 Ca -0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.74 1zza n GLN 45 Cb 0.59 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.84 1zza n GLN 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1zza n SER 46 N 8.17 -4.00 -4.67 1.08 2.88 -1.26 -4.88 113.62 110.94 1zza n SER 46 Ca 0.00 0.10 -0.37 0.00 -1.33 0.00 0.00 58.87 57.27 1zza n SER 46 Cb 0.00 -3.37 0.06 0.00 -0.75 0.00 0.00 64.21 60.15 1zza n SER 46 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1zza n GLU 47 N -2.97 0.97 0.00 -1.46 0.00 -1.26 -3.53 120.64 112.38 1zza n GLU 47 Ca -0.13 0.38 0.00 0.00 0.00 0.00 0.00 57.16 57.41 1zza n GLU 47 Cb 0.60 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.70 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 -1.39 0.00 0.00 -1.84 -0.08 -1.26 -4.79 116.55 107.19 1zza n ASP 48 Ca 0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 1zza n ASP 48 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1zza n ASP 48 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1zza n GLU 49 N 0.00 0.00 -3.01 -0.67 2.13 -1.23 -0.25 120.64 117.61 1zza n GLU 49 Ca 0.00 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.65 1zza n GLU 49 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1zza n GLU 49 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1zza n GLU 50 N 0.00 0.67 0.00 5.31 2.13 -1.26 -4.94 120.64 122.55 1zza n GLU 50 Ca 0.00 -2.55 0.00 0.00 0.66 0.00 0.00 57.16 55.27 1zza n GLU 50 Cb 0.00 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.34 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 1.77 0.00 -0.18 4.31 2.88 -1.24 -4.13 113.62 117.02 1zza n SER 51 Ca 0.17 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 1zza n SER 51 Cb 0.57 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.21 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 1.22 -0.01 2.46 3.07 -1.89 -2.44 117.51 119.92 1zza h ILE 52 Ca 0.00 -0.68 -0.16 0.00 1.55 0.00 0.00 64.86 65.57 1zza h ILE 52 Cb 0.00 0.44 -0.02 0.00 -0.27 0.00 0.00 36.82 36.97 1zza h ILE 52 CO 0.00 0.27 -0.73 1.62 -1.05 0.00 0.00 178.15 178.26 1zza h VAL 53 N 0.92 1.49 -1.91 0.16 3.04 -1.92 -3.31 116.25 114.72 1zza h VAL 53 Ca 0.22 -2.41 -0.78 0.00 -1.01 0.00 0.00 66.70 62.72 1zza h VAL 53 Cb 0.16 2.30 -0.21 0.00 -2.01 0.00 0.00 31.29 31.53 1zza h VAL 53 CO -0.02 0.70 1.58 0.61 -1.01 0.00 0.00 177.57 179.43 1zza n GLY 54 N 0.56 5.39 3.59 3.17 0.00 -0.92 -5.01 105.19 111.98 1zza n GLY 54 Ca -0.02 -2.35 -0.47 0.00 0.00 0.00 0.00 46.02 43.18 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 1.54 1.53 0.00 1.61 2.03 -1.25 -4.40 116.55 117.61 1zza n ASP 55 Ca 0.45 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.91 1zza n ASP 55 Cb 0.29 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 1.87 -0.39 2.45 0.27 0.00 -1.26 -4.86 105.19 103.27 1zza n GLY 56 Ca 0.13 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1zza n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1zza n GLU 57 N 0.00 -1.98 -1.36 1.61 4.07 -1.26 -4.85 120.64 116.87 1zza n GLU 57 Ca 0.00 0.93 -0.39 0.00 -0.06 0.00 0.00 57.16 57.65 1zza n GLU 57 Cb 0.00 -5.60 -0.02 0.00 -0.06 0.00 0.00 31.44 25.75 1zza n GLU 57 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1zza n THR 58 N -3.94 4.01 -1.93 6.31 -2.24 -1.26 -4.96 114.28 110.28 1zza n THR 58 Ca -0.22 -2.59 -0.37 0.00 -2.27 0.00 0.00 64.05 58.60 1zza n THR 58 Cb 0.67 -2.59 0.04 0.00 -2.10 0.00 0.00 70.33 66.36 1zza n THR 58 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1zza s LYS 59 N 2.48 2.91 0.43 -0.78 2.20 -1.26 -4.58 119.74 121.14 1zza s LYS 59 Ca 0.64 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 1zza s LYS 59 Cb 0.17 -1.96 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 1zza s LYS 59 CO -0.06 -1.28 0.00 0.39 -0.36 0.00 0.00 175.35 174.03 1zza n GLU 60 N -1.57 -2.85 -2.48 4.03 4.71 -1.26 -4.80 120.64 116.41 1zza n GLU 60 Ca 0.14 2.10 -0.36 0.00 -0.01 0.00 0.00 57.16 59.03 1zza n GLU 60 Cb 0.49 -3.41 -0.03 0.00 -1.01 0.00 0.00 31.44 27.47 1zza n GLU 60 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1zza s PRO 61 N -3.03 4.06 0.46 3.49 0.04 -1.26 -4.63 135.00 134.12 1zza s PRO 61 Ca 0.00 1.56 0.31 0.00 0.04 0.00 0.00 61.00 62.91 1zza s PRO 61 Cb 0.00 -2.48 1.42 0.00 0.04 0.00 0.00 34.50 33.47 1zza s PRO 61 CO 0.00 -0.25 1.94 0.35 0.04 0.00 0.00 177.00 179.08 1zza h PHE 62 N 2.34 0.00 -1.07 0.56 3.57 -0.77 -3.19 116.94 118.37 1zza h PHE 62 Ca -0.49 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.35 1zza h PHE 62 Cb 1.22 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.83 1zza h PHE 62 CO 0.57 0.00 0.64 -0.07 -2.23 0.00 0.00 178.31 177.22 1zza h LEU 63 N 0.00 0.45 -0.24 0.59 3.38 -1.90 0.62 115.31 118.21 1zza h LEU 63 Ca 0.00 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1zza h LEU 63 Cb 0.33 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1zza h LEU 63 CO 0.00 -0.11 0.01 -0.07 0.09 0.00 0.00 178.44 178.36 1zza h LEU 64 N 0.28 -0.06 0.24 1.67 3.38 -1.94 0.48 115.31 119.36 1zza h LEU 64 Ca 0.73 0.05 -0.34 0.00 0.09 0.00 0.00 57.88 58.41 1zza h LEU 64 Cb 1.84 0.08 0.03 0.00 0.09 0.00 0.00 40.66 42.71 1zza h LEU 64 CO -0.52 -0.00 -1.56 0.58 0.09 0.00 0.00 178.44 177.03 1zza h VAL 65 N 0.09 1.19 -0.09 1.22 2.07 -1.17 -1.47 116.25 118.09 1zza h VAL 65 Ca 0.11 -2.66 0.04 0.00 0.82 0.00 0.00 66.70 65.01 1zza h VAL 65 Cb 0.13 2.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 1zza h VAL 65 CO -0.18 0.82 -0.14 -0.61 0.02 0.00 0.00 177.57 177.48 1zza h GLN 66 N 0.14 -0.19 -0.11 1.57 -0.00 0.29 0.57 115.11 117.38 1zza h GLN 66 Ca -0.28 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.35 1zza h GLN 66 Cb 2.16 0.04 -0.00 0.00 0.00 0.00 0.00 27.48 29.68 1zza h GLN 66 CO 0.25 -0.12 -0.05 -0.92 0.00 0.00 0.00 178.83 177.99 1zza h TYR 67 N -0.19 0.27 -0.71 3.99 3.20 -0.14 0.60 116.97 123.99 1zza h TYR 67 Ca 0.08 -0.07 0.13 0.00 3.14 0.00 0.00 58.73 62.01 1zza h TYR 67 Cb 0.31 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 1zza h TYR 67 CO -0.25 0.58 0.47 0.77 -1.64 0.00 0.00 178.16 178.10 1zza h SER 68 N -0.11 0.42 0.05 -2.11 0.02 -0.86 0.43 113.55 111.39 1zza h SER 68 Ca 0.03 0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.74 1zza h SER 68 Cb 0.50 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1zza h SER 68 CO 0.02 0.23 -1.36 0.00 -1.14 0.00 0.00 176.83 174.58 1zza h ALA 69 N 1.66 0.26 -0.71 3.77 0.00 0.34 -3.37 119.26 121.21 1zza h ALA 69 Ca 0.34 -1.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.02 1zza h ALA 69 Cb 0.70 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1zza h ALA 69 CO -0.11 0.80 0.17 0.87 0.00 0.00 0.00 179.25 180.99 1zza h LYS 70 N -0.61 1.13 -0.15 0.00 1.79 0.44 -0.11 116.57 119.06 1zza h LYS 70 Ca -0.33 -0.27 0.02 0.00 -2.18 0.00 0.00 60.65 57.89 1zza h LYS 70 Cb 1.54 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 32.01 1zza h LYS 70 CO -0.07 1.00 -0.28 0.78 -1.08 0.00 0.00 179.45 179.79 1zza h GLY 71 N 1.07 -1.41 1.28 3.86 0.00 -0.32 1.84 103.07 109.39 1zza h GLY 71 Ca 0.22 0.74 -0.10 0.00 0.00 0.00 0.00 47.33 48.19 1zza h GLY 71 CO 0.00 -0.41 -0.10 -0.56 0.00 0.00 0.00 176.54 175.47 1zza h PRO 72 N -0.25 0.85 -0.60 4.80 0.13 -1.71 0.21 132.00 135.43 1zza h PRO 72 Ca 0.03 -0.29 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1zza h PRO 72 Cb 0.32 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.36 1zza h PRO 72 CO -0.27 0.91 0.27 0.00 -0.23 0.00 0.00 178.00 178.68 1zza h VAL 74 N 0.82 1.33 -0.79 0.00 2.07 0.30 0.04 116.25 120.02 1zza h VAL 74 Ca 0.20 -1.35 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1zza h VAL 74 Cb 0.15 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1zza h VAL 74 CO -0.02 0.41 0.51 -0.08 0.02 0.00 0.00 177.57 178.41 1zza h GLU 75 N 0.18 0.99 0.25 1.57 4.57 -0.32 0.52 114.58 122.32 1zza h GLU 75 Ca 0.03 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1zza h GLU 75 Cb 0.74 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1zza h GLU 75 CO 0.05 0.65 -0.12 0.00 -1.18 0.00 0.00 179.01 178.41 1zza h ARG 76 N 1.02 -0.32 -0.22 1.92 2.47 -0.03 0.21 114.38 119.42 1zza h ARG 76 Ca 0.31 0.02 0.01 0.00 -1.26 0.00 0.00 59.98 59.06 1zza h ARG 76 Cb -0.04 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1zza h ARG 76 CO -0.09 -0.08 0.10 0.87 0.56 0.00 0.00 179.97 181.33 1zza h LYS 77 N -0.53 0.22 -0.58 0.04 1.79 -0.64 0.38 116.57 117.23 1zza h LYS 77 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1zza h LYS 77 Cb 0.40 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 1zza h LYS 77 CO 0.06 0.14 0.37 0.00 -1.08 0.00 0.00 179.45 178.94 1zza h ALA 78 N 1.12 0.74 -0.32 3.86 0.00 0.09 0.47 119.26 125.22 1zza h ALA 78 Ca 0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1zza h ALA 78 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1zza h ALA 78 CO -0.07 0.20 -0.19 0.87 0.00 0.00 0.00 179.25 180.06 1zza h LYS 79 N 0.79 0.70 -0.37 0.00 1.79 -0.24 0.50 116.57 119.74 1zza h LYS 79 Ca 0.21 -0.32 -0.06 0.00 -2.18 0.00 0.00 60.65 58.30 1zza h LYS 79 Cb -0.05 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1zza h LYS 79 CO -0.04 0.93 -0.03 1.25 -1.08 0.00 0.00 179.45 180.48 1zza h LEU 80 N 0.47 0.57 0.00 2.94 5.85 0.08 -2.70 115.31 122.51 1zza h LEU 80 Ca 0.07 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1zza h LEU 80 Cb 0.74 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1zza h LEU 80 CO 0.05 0.66 -0.70 -0.03 -0.34 0.00 0.00 178.44 178.08 1zza h MET 81 N 0.57 0.00 -0.65 1.25 4.05 0.12 -3.37 114.93 116.90 1zza h MET 81 Ca 0.12 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.66 1zza h MET 81 Cb 0.40 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 31.08 1zza h MET 81 CO 0.02 0.22 -0.23 1.15 0.23 0.00 0.00 176.91 178.30 1zza h THR 82 N 0.00 0.27 0.00 -0.77 2.02 0.36 0.85 112.91 115.64 1zza h THR 82 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1zza h THR 82 Cb 1.25 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1zza h THR 82 CO 0.03 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.11 1zza n PRO 83 N -5.45 0.07 -1.87 6.66 -0.04 -1.26 -4.84 135.00 128.27 1zza n PRO 83 Ca 0.07 0.25 -0.16 0.00 -0.04 0.00 0.00 63.50 63.62 1zza n PRO 83 Cb 0.35 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.41 -4.39 -3.90 3.54 4.05 0.30 -4.89 115.26 108.56 1zza n ASN 84 Ca 0.04 0.27 -0.34 0.00 0.45 0.00 0.00 54.58 55.00 1zza n ASN 84 Cb 0.12 -3.86 -0.06 0.00 1.23 0.00 0.00 39.78 37.21 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 -0.54 4.48 0.15 8.20 0.00 -1.26 -4.86 105.19 111.35 1zza n GLY 85 Ca -0.17 -2.65 0.12 0.00 0.00 0.00 0.00 46.02 43.32 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 5.37 0.00 -0.76 1.61 0.13 -1.89 -3.01 132.00 133.46 1zza h PRO 86 Ca 0.18 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.46 1zza h PRO 86 Cb 0.73 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 1zza h PRO 86 CO 0.93 0.00 0.51 0.93 -0.23 0.00 0.00 178.00 180.13 1zza h GLU 87 N 0.00 0.39 0.06 0.86 3.07 -2.00 -1.99 114.58 114.97 1zza h GLU 87 Ca 0.00 -0.02 -0.35 0.00 -0.50 0.00 0.00 59.36 58.49 1zza h GLU 87 Cb 0.30 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.08 1zza h GLU 87 CO 0.00 0.26 -2.03 0.28 -1.40 0.00 0.00 179.01 176.12 1zza n VAL 88 N -4.48 1.66 -3.63 3.13 0.31 -1.14 -4.95 118.33 109.24 1zza n VAL 88 Ca 0.15 -0.70 -0.03 0.00 -0.01 0.00 0.00 64.34 63.75 1zza n VAL 88 Cb 0.55 -1.40 -0.05 0.00 -0.91 0.00 0.00 33.84 32.02 1zza n VAL 88 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 1zza s HIS 89 N -2.56 -1.14 -2.81 3.52 -3.43 -0.75 -5.20 115.29 102.93 1zza s HIS 89 Ca -0.19 2.09 0.26 0.00 -0.80 0.00 0.00 55.06 56.42 1zza s HIS 89 Cb 0.07 0.68 0.52 0.00 -1.43 0.00 0.00 32.58 32.43 1zza s HIS 89 CO 0.76 -0.56 1.45 0.41 -2.00 0.00 0.00 174.74 174.80