#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 6.23 -1.41 1.61 0.15 -1.26 -4.97 113.70 114.06 1zza s SER 2 Ca 0.00 0.89 -0.14 0.00 0.70 0.00 0.00 55.95 57.40 1zza s SER 2 Cb 0.00 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.17 1zza s SER 2 CO 0.00 -0.58 2.09 1.15 1.20 0.00 0.00 173.24 177.10 1zza n MET 3 N -2.25 3.02 -4.03 5.44 0.00 -1.26 -4.60 117.12 113.44 1zza n MET 3 Ca 0.00 -2.85 -0.27 0.00 0.00 0.00 0.00 57.70 54.58 1zza n MET 3 Cb 0.55 -3.27 -0.04 0.00 0.00 0.00 0.00 33.22 30.47 1zza n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1zza n SER 4 N 6.15 -0.10 -1.60 3.17 7.64 -1.26 -4.98 113.62 122.64 1zza n SER 4 Ca 0.50 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1zza n SER 4 Cb 0.40 -2.72 0.00 0.00 -1.01 0.00 0.00 64.21 60.88 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1zza n ILE 5 N -4.45 0.00 -5.00 0.44 -6.64 -1.26 -4.87 119.36 97.59 1zza n ILE 5 Ca -0.31 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.67 1zza n ILE 5 Cb 0.69 -1.02 0.00 0.00 -1.44 0.00 0.00 39.64 37.87 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 -0.80 0.00 -2.15 6.28 1.56 -1.26 -4.87 117.12 115.89 1zza n MET 6 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 57.70 57.27 1zza n MET 6 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 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 -2.98 -4.72 0.27 6.12 9.92 -1.26 -4.41 116.55 119.48 1zza n ASP 7 Ca 0.00 0.18 0.11 0.00 -0.53 0.00 0.00 54.79 54.55 1zza n ASP 7 Cb 0.00 -4.05 0.74 0.00 -0.64 0.00 0.00 41.12 37.17 1zza n ASP 7 CO 0.00 0.00 0.00 -0.74 0.13 0.00 0.00 177.20 176.59 1zza h HIS 8 N 0.00 0.00 -1.74 1.24 2.76 -1.90 -3.45 115.15 112.06 1zza h HIS 8 Ca -0.38 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 57.86 1zza h HIS 8 Cb 1.23 0.00 -0.21 0.00 1.55 0.00 0.00 27.41 29.98 1zza h HIS 8 CO 0.58 0.02 0.48 0.45 -1.30 0.00 0.00 177.93 178.16 1zza s SER 9 N -6.66 -0.42 0.45 3.26 0.15 -1.26 -4.93 113.70 104.29 1zza s SER 9 Ca -0.05 0.39 0.31 0.00 0.70 0.00 0.00 55.95 57.30 1zza s SER 9 Cb 0.16 0.35 1.37 0.00 -1.71 0.00 0.00 66.02 66.20 1zza s SER 9 CO 0.62 -0.43 1.92 1.55 1.20 0.00 0.00 173.24 178.10 1zza h PRO 10 N 2.54 0.00 0.12 5.44 0.13 -2.00 -3.08 132.00 135.16 1zza h PRO 10 Ca -0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1zza h PRO 10 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1zza h PRO 10 CO 0.32 0.00 -0.09 1.79 -0.23 0.00 0.00 178.00 179.80 1zza h THR 11 N 0.00 0.81 -0.15 1.56 1.35 -1.98 0.48 112.91 114.98 1zza h THR 11 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 1zza h THR 11 Cb 0.34 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1zza h THR 11 CO 0.00 0.00 0.03 0.00 -0.25 0.00 0.00 175.52 175.30 1zza h THR 12 N -0.21 1.08 0.18 6.82 1.03 -1.96 0.16 112.91 120.01 1zza h THR 12 Ca -0.01 -0.29 -0.01 0.00 -0.01 0.00 0.00 66.41 66.10 1zza h THR 12 Cb 0.18 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.21 1zza h THR 12 CO 0.00 0.10 -0.09 1.23 -0.01 0.00 0.00 175.52 176.76 1zza h GLY 13 N 0.37 -0.25 0.54 2.99 0.00 -1.43 0.10 103.07 105.40 1zza h GLY 13 Ca 0.05 0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.59 1zza h GLY 13 CO -0.00 -0.09 0.62 -2.08 0.00 0.00 0.00 176.54 174.99 1zza h VAL 14 N -0.78 0.94 -0.43 4.60 2.07 0.34 0.75 116.25 123.73 1zza h VAL 14 Ca -0.02 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 1zza h VAL 14 Cb 0.52 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1zza h VAL 14 CO 0.04 0.18 -0.15 0.58 0.02 0.00 0.00 177.57 178.24 1zza h VAL 15 N 0.98 1.26 -0.43 2.57 2.07 -0.61 -1.08 116.25 121.01 1zza h VAL 15 Ca 0.47 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1zza h VAL 15 Cb 0.45 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1zza h VAL 15 CO -0.24 0.43 0.10 0.74 0.02 0.00 0.00 177.57 178.62 1zza h THR 16 N 0.73 1.23 -0.21 2.57 2.02 0.12 -0.75 112.91 118.62 1zza h THR 16 Ca 0.11 -0.80 -0.17 0.00 0.77 0.00 0.00 66.41 66.32 1zza h THR 16 Cb 0.66 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1zza h THR 16 CO 0.05 0.28 -0.57 -0.37 0.37 0.00 0.00 175.52 175.28 1zza h VAL 17 N 0.55 1.31 -0.16 3.16 -1.51 -0.93 -0.62 116.25 118.05 1zza h VAL 17 Ca 0.13 -1.81 -0.12 0.00 -1.23 0.00 0.00 66.70 63.68 1zza h VAL 17 Cb 0.32 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1zza h VAL 17 CO 0.00 0.57 -0.41 0.16 -1.23 0.00 0.00 177.57 176.66 1zza h ILE 18 N 0.49 1.31 -0.23 7.19 3.07 -1.09 0.33 117.51 128.59 1zza h ILE 18 Ca 0.00 -1.55 -0.09 0.00 1.55 0.00 0.00 64.86 64.78 1zza h ILE 18 Cb 1.14 1.64 -0.00 0.00 -0.27 0.00 0.00 36.82 39.32 1zza h ILE 18 CO 0.11 0.47 -0.21 0.58 -1.05 0.00 0.00 178.15 178.05 1zza h VAL 19 N 0.30 1.32 -0.25 0.16 2.07 -1.03 0.43 116.25 119.25 1zza h VAL 19 Ca 0.03 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1zza h VAL 19 Cb 0.85 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1zza h VAL 19 CO 0.07 0.42 0.09 0.40 0.02 0.00 0.00 177.57 178.58 1zza h ILE 20 N 0.24 1.18 -0.52 4.57 1.08 -0.88 0.25 117.51 123.42 1zza h ILE 20 Ca 0.04 -0.56 -0.03 0.00 -0.39 0.00 0.00 64.86 63.92 1zza h ILE 20 Cb 0.76 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 1zza h ILE 20 CO 0.05 0.19 0.21 0.17 -0.69 0.00 0.00 178.15 178.07 1zza h LEU 21 N 0.25 0.73 -0.96 1.44 8.10 -0.28 0.12 115.31 124.72 1zza h LEU 21 Ca 0.08 -0.17 -0.03 0.00 0.11 0.00 0.00 57.88 57.87 1zza h LEU 21 Cb 0.20 -0.19 -0.04 0.00 -0.44 0.00 0.00 40.66 40.20 1zza h LEU 21 CO -0.01 0.70 0.39 0.40 -4.11 0.00 0.00 178.44 175.81 1zza h ILE 22 N 0.71 1.24 0.07 0.15 1.08 0.13 0.92 117.51 121.81 1zza h ILE 22 Ca 0.17 -0.68 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1zza h ILE 22 Cb 0.20 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1zza h ILE 22 CO -0.01 0.29 -0.03 0.00 -0.69 0.00 0.00 178.15 177.70 1zza h ALA 23 N 1.30 -0.09 -0.61 1.87 0.00 0.10 0.21 119.26 122.03 1zza h ALA 23 Ca 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1zza h ALA 23 Cb 0.10 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1zza h ALA 23 CO -0.04 -0.40 0.26 -0.84 0.00 0.00 0.00 179.25 178.24 1zza h ILE 24 N -0.41 1.21 -0.23 0.00 3.07 -0.60 0.24 117.51 120.79 1zza h ILE 24 Ca -0.01 -0.64 -0.03 0.00 1.55 0.00 0.00 64.86 65.73 1zza h ILE 24 Cb 0.36 0.46 -0.01 0.00 -0.27 0.00 0.00 36.82 37.36 1zza h ILE 24 CO 0.02 0.26 0.04 0.00 -1.05 0.00 0.00 178.15 177.41 1zza h ALA 25 N 1.41 0.31 -0.63 0.16 0.00 -0.68 0.27 119.26 120.11 1zza h ALA 25 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1zza h ALA 25 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1zza h ALA 25 CO -0.02 -0.01 0.34 0.00 0.00 0.00 0.00 179.25 179.56 1zza h ALA 26 N 0.85 0.81 -0.18 0.00 0.00 -0.07 0.19 119.26 120.85 1zza h ALA 26 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zza h ALA 26 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1zza h ALA 26 CO 0.00 0.32 0.12 1.25 0.00 0.00 0.00 179.25 180.94 1zza h LEU 27 N 0.86 0.21 -0.42 0.00 6.46 -0.25 0.43 115.31 122.60 1zza h LEU 27 Ca 0.22 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 1zza h LEU 27 Cb 0.04 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 1zza h LEU 27 CO -0.04 0.17 0.21 1.23 -0.62 0.00 0.00 178.44 179.39 1zza h GLY 28 N 0.23 0.57 1.00 3.75 0.00 0.04 0.32 103.07 108.98 1zza h GLY 28 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1zza h GLY 28 CO -0.01 0.10 0.34 0.00 0.00 0.00 0.00 176.54 176.97 1zza h ALA 29 N 1.23 0.81 -0.81 3.60 0.00 -0.15 0.17 119.26 124.10 1zza h ALA 29 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1zza h ALA 29 Cb 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1zza h ALA 29 CO -0.13 0.34 0.47 -0.07 0.00 0.00 0.00 179.25 179.85 1zza h LEU 30 N 0.86 0.99 -0.26 0.00 3.38 0.71 0.28 115.31 121.28 1zza h LEU 30 Ca 0.22 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1zza h LEU 30 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1zza h LEU 30 CO -0.03 0.78 0.04 0.40 0.09 0.00 0.00 178.44 179.71 1zza h ILE 31 N 1.12 1.23 -0.13 1.22 1.08 0.29 0.36 117.51 122.69 1zza h ILE 31 Ca 0.29 -0.80 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1zza h ILE 31 Cb -0.01 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1zza h ILE 31 CO -0.05 0.25 0.08 0.25 -0.69 0.00 0.00 178.15 177.99 1zza h LEU 32 N 0.24 0.16 -1.27 1.44 5.85 -0.25 0.29 115.31 121.78 1zza h LEU 32 Ca 0.08 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1zza h LEU 32 Cb 0.34 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1zza h LEU 32 CO 0.01 0.18 0.42 1.23 -0.34 0.00 0.00 178.44 179.93 1zza h GLY 33 N 0.13 0.98 0.92 3.75 0.00 -0.36 0.57 103.07 109.06 1zza h GLY 33 Ca 0.05 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 1zza h GLY 33 CO -0.01 0.38 -0.65 0.00 0.00 0.00 0.00 176.54 176.26 1zza n TRP 35 N -4.14 -1.85 0.27 0.00 8.01 0.98 -4.97 117.44 115.74 1zza n TRP 35 Ca -0.09 -2.56 0.12 0.00 -1.31 0.00 0.00 57.50 53.65 1zza n TRP 35 Cb 0.68 1.01 0.76 0.00 -2.01 0.00 0.00 31.31 31.76 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 -3.98 0.00 -0.29 0.00 4.02 -1.26 -5.02 117.16 110.64 1zza n TYR 37 Ca -0.03 0.00 0.19 0.00 -0.01 0.00 0.00 57.90 58.05 1zza n TYR 37 Cb 0.15 0.00 0.47 0.00 -0.02 0.00 0.00 39.34 39.94 1zza n TYR 37 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1zza h LEU 38 N 0.00 0.50 -3.35 7.72 5.85 -2.02 -3.46 115.31 120.55 1zza h LEU 38 Ca 0.00 0.06 -0.34 0.00 0.84 0.00 0.00 57.88 58.44 1zza h LEU 38 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1zza h LEU 38 CO 0.00 0.17 -0.87 -1.14 -0.34 0.00 0.00 178.44 176.26 1zza n ARG 39 N -4.59 -1.64 -0.22 1.25 0.00 -1.26 -4.81 116.66 105.39 1zza n ARG 39 Ca 0.22 1.12 0.19 0.00 -0.00 0.00 0.00 57.85 59.37 1zza n ARG 39 Cb 0.72 -3.13 0.52 0.00 0.00 0.00 0.00 32.46 30.57 1zza n ARG 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1zza h LEU 40 N 0.47 0.38 -5.00 6.15 6.46 -2.02 -2.80 115.31 118.95 1zza h LEU 40 Ca -0.46 0.04 -0.28 0.00 -0.12 0.00 0.00 57.88 57.05 1zza h LEU 40 Cb 1.30 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 1zza h LEU 40 CO 0.32 0.16 1.61 1.67 -0.62 0.00 0.00 178.44 181.58 1zza n GLN 41 N -4.49 1.80 0.00 1.25 7.27 -1.26 -4.60 117.38 117.35 1zza n GLN 41 Ca 0.18 -1.14 0.00 0.00 0.07 0.00 0.00 57.00 56.11 1zza n GLN 41 Cb 0.67 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 31.12 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 3.57 0.00 0.20 3.69 0.63 -1.06 -3.68 116.66 120.01 1zza n ARG 42 Ca 0.39 0.16 0.09 0.00 -0.92 0.00 0.00 57.85 57.57 1zza n ARG 42 Cb 0.30 -1.15 0.25 0.00 0.45 0.00 0.00 32.46 32.31 1zza n ARG 42 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1zza h ILE 43 N 0.00 0.40 0.00 5.15 1.08 -1.92 -3.47 117.51 118.76 1zza h ILE 43 Ca 0.00 -1.35 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 1zza h ILE 43 Cb 0.00 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 1zza h ILE 43 CO 0.00 0.20 0.00 -0.24 -0.69 0.00 0.00 178.15 177.42 1zza n SER 44 N -3.21 0.00 0.00 1.72 2.88 -1.24 -4.14 113.62 109.63 1zza n SER 44 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1zza n SER 44 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 0.00 0.00 -1.46 3.00 -1.26 -5.07 117.38 112.59 1zza n GLN 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1zza n GLN 45 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1zza n GLN 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1zza n SER 46 N -0.13 0.00 -0.83 1.08 7.64 -1.26 -5.17 113.62 114.95 1zza n SER 46 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1zza n SER 46 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1zza n SER 46 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1zza n GLU 47 N 0.00 2.77 -3.28 1.43 0.00 -1.26 -5.12 120.64 115.18 1zza n GLU 47 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.80 1zza n GLU 47 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.38 1zza n GLU 47 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1zza s ASP 48 N -0.30 6.95 0.09 -1.84 -1.08 -1.26 -5.06 116.67 114.17 1zza s ASP 48 Ca 0.00 1.20 -0.25 0.00 -0.52 0.00 0.00 52.55 52.98 1zza s ASP 48 Cb 0.00 -2.34 0.07 0.00 -1.46 0.00 0.00 42.92 39.20 1zza s ASP 48 CO 0.00 0.14 0.65 -0.70 0.52 0.00 0.00 175.17 175.79 1zza s GLU 49 N -1.70 1.17 0.00 4.34 2.12 -1.26 -5.14 118.70 118.23 1zza s GLU 49 Ca 0.36 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.40 1zza s GLU 49 Cb -0.17 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1zza s GLU 49 CO 0.19 -0.48 0.00 -1.91 -0.54 0.00 0.00 175.26 172.52 1zza n GLU 50 N -0.08 0.00 0.00 4.30 2.13 -1.26 -5.08 120.64 120.65 1zza n GLU 50 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1zza n GLU 50 Cb 0.63 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.34 1zza n GLU 50 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1zza n SER 51 N 0.00 0.00 -0.09 4.31 7.64 -1.26 -5.00 113.62 119.22 1zza n SER 51 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1zza n SER 51 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.36 1.09 0.00 0.44 5.41 -1.26 -4.97 119.36 118.71 1zza n ILE 52 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1zza n ILE 52 Cb 0.00 -1.80 0.00 0.00 -0.71 0.00 0.00 39.64 37.13 1zza n ILE 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1zza n VAL 53 N -3.89 0.00 0.00 1.39 0.24 -1.26 -4.87 118.33 109.93 1zza n VAL 53 Ca -0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1zza n VAL 53 Cb 0.73 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 1zza n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1zza n GLY 54 N 1.98 1.81 3.96 7.63 0.00 -1.26 -4.86 105.19 114.45 1zza n GLY 54 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 6.33 0.00 1.61 2.15 -1.26 -4.49 116.67 121.01 1zza s ASP 55 Ca 0.00 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.08 1zza s ASP 55 Cb 0.00 -1.88 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 1zza s ASP 55 CO 0.00 -0.03 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 1zza n GLY 56 N -1.13 0.68 3.85 2.66 0.00 -1.26 -4.71 105.19 105.27 1zza n GLY 56 Ca -0.08 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -5.02 -0.54 1.61 0.00 -1.26 -4.78 120.64 110.65 1zza n GLU 57 Ca 0.00 0.58 -0.15 0.00 0.00 0.00 0.00 57.16 57.59 1zza n GLU 57 Cb 0.00 -5.27 -0.02 0.00 0.00 0.00 0.00 31.44 26.15 1zza n GLU 57 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1zza n THR 58 N -4.50 1.77 -3.58 6.31 -2.24 -1.26 -4.68 114.28 106.10 1zza n THR 58 Ca -0.12 -1.03 -0.27 0.00 -2.27 0.00 0.00 64.05 60.36 1zza n THR 58 Cb 0.60 -1.94 -0.16 0.00 -2.10 0.00 0.00 70.33 66.73 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 3.52 0.12 -0.04 -0.78 2.20 -1.26 -5.10 119.74 118.40 1zza s LYS 59 Ca 0.30 -0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1zza s LYS 59 Cb 0.09 -1.53 0.03 0.00 -1.51 0.00 0.00 37.83 34.91 1zza s LYS 59 CO -0.02 -0.82 0.05 -2.00 -0.36 0.00 0.00 175.35 172.21 1zza s GLU 60 N 2.13 -0.07 0.16 4.03 -6.30 -1.26 -5.03 118.70 112.36 1zza s GLU 60 Ca 0.05 0.33 -0.12 0.00 -2.50 0.00 0.00 54.97 52.74 1zza s GLU 60 Cb -0.16 -0.44 0.02 0.00 0.00 0.00 0.00 34.13 33.56 1zza s GLU 60 CO -0.21 -0.29 1.60 -1.00 0.02 0.00 0.00 175.26 175.39 1zza h PRO 61 N 8.14 0.92 0.00 4.30 0.13 -1.99 -3.48 132.00 140.02 1zza h PRO 61 Ca -0.21 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1zza h PRO 61 Cb 1.12 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1zza h PRO 61 CO 0.24 0.96 0.00 0.34 -0.23 0.00 0.00 178.00 179.30 1zza n PHE 62 N -4.28 0.00 -0.26 1.56 7.35 -1.26 -4.94 117.46 115.63 1zza n PHE 62 Ca 0.01 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.64 1zza n PHE 62 Cb 0.34 0.00 0.06 0.00 0.35 0.00 0.00 39.48 40.23 1zza n PHE 62 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1zza h LEU 63 N 0.00 1.08 -0.74 -2.13 3.38 -1.98 0.39 115.31 115.31 1zza h LEU 63 Ca 0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1zza h LEU 63 Cb 0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1zza h LEU 63 CO 0.00 1.01 0.44 0.25 0.09 0.00 0.00 178.44 180.22 1zza h LEU 64 N 1.10 0.91 -0.14 1.67 5.85 -1.98 0.14 115.31 122.86 1zza h LEU 64 Ca 0.24 -0.08 -0.23 0.00 0.84 0.00 0.00 57.88 58.65 1zza h LEU 64 Cb 0.32 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.13 1zza h LEU 64 CO -0.01 0.72 -0.88 0.58 -0.34 0.00 0.00 178.44 178.51 1zza h VAL 65 N 1.02 1.30 -0.76 1.05 2.07 -1.82 0.29 116.25 119.40 1zza h VAL 65 Ca 0.27 -2.13 0.05 0.00 0.82 0.00 0.00 66.70 65.70 1zza h VAL 65 Cb -0.01 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1zza h VAL 65 CO -0.05 0.66 0.47 -0.61 0.02 0.00 0.00 177.57 178.06 1zza h GLN 66 N 0.44 0.85 -0.04 1.57 4.15 0.19 0.68 115.11 122.94 1zza h GLN 66 Ca -0.08 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.19 1zza h GLN 66 Cb 1.51 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 29.02 1zza h GLN 66 CO 0.17 0.56 -0.37 -0.92 -1.93 0.00 0.00 178.83 176.34 1zza h TYR 67 N 0.88 0.45 -0.74 3.99 3.20 -0.68 0.02 116.97 124.08 1zza h TYR 67 Ca 0.32 -0.22 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1zza h TYR 67 Cb 0.11 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 1zza h TYR 67 CO -0.04 0.99 0.49 0.77 -1.64 0.00 0.00 178.16 178.72 1zza h SER 68 N -0.21 0.80 0.07 -2.11 0.02 0.08 0.79 113.55 112.98 1zza h SER 68 Ca -0.04 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 1zza h SER 68 Cb 1.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1zza h SER 68 CO 0.08 0.56 -0.99 0.00 -1.14 0.00 0.00 176.83 175.33 1zza h ALA 69 N 1.56 0.12 -0.39 3.77 0.00 0.33 -3.37 119.26 121.29 1zza h ALA 69 Ca 0.29 -0.93 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 1zza h ALA 69 Cb -0.00 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1zza h ALA 69 CO -0.08 0.56 -0.05 1.57 0.00 0.00 0.00 179.25 181.25 1zza h LYS 70 N -0.61 0.64 -0.05 0.00 2.10 -0.92 -0.86 116.57 116.86 1zza h LYS 70 Ca -0.23 -0.17 0.02 0.00 -2.00 0.00 0.00 60.65 58.27 1zza h LYS 70 Cb 1.49 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.71 1zza h LYS 70 CO 0.00 0.69 -0.31 0.78 -2.00 0.00 0.00 179.45 178.61 1zza h GLY 71 N 0.93 -1.27 1.35 0.07 0.00 -0.99 1.44 103.07 104.60 1zza h GLY 71 Ca 0.12 0.66 -0.09 0.00 0.00 0.00 0.00 47.33 48.02 1zza h GLY 71 CO 0.02 -0.36 -0.08 -0.56 0.00 0.00 0.00 176.54 175.56 1zza h PRO 72 N -0.36 0.78 -0.34 4.80 0.13 -1.71 0.20 132.00 135.51 1zza h PRO 72 Ca 0.01 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1zza h PRO 72 Cb 0.40 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 1zza h PRO 72 CO -0.24 0.84 0.16 0.00 -0.23 0.00 0.00 178.00 178.54 1zza h VAL 74 N 0.41 1.33 -0.96 0.00 2.07 0.22 -0.63 116.25 118.68 1zza h VAL 74 Ca 0.12 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.57 1zza h VAL 74 Cb 0.12 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1zza h VAL 74 CO -0.01 0.32 0.61 -0.08 0.02 0.00 0.00 177.57 178.43 1zza h GLU 75 N -0.10 1.09 -0.40 1.57 4.81 -0.46 0.37 114.58 121.46 1zza h GLU 75 Ca 0.03 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1zza h GLU 75 Cb 0.54 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1zza h GLU 75 CO 0.02 0.72 0.07 -0.09 -0.73 0.00 0.00 179.01 179.00 1zza h ARG 76 N 1.12 0.65 -0.56 1.92 2.43 -0.03 0.23 114.38 120.15 1zza h ARG 76 Ca 0.41 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.32 1zza h ARG 76 Cb 0.15 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1zza h ARG 76 CO -0.17 0.70 -0.00 0.87 -1.51 0.00 0.00 179.97 179.86 1zza h LYS 77 N 0.50 0.96 0.04 0.20 1.79 -0.15 0.21 116.57 120.12 1zza h LYS 77 Ca 0.12 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1zza h LYS 77 Cb 0.36 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1zza h LYS 77 CO 0.01 0.95 -0.02 0.00 -1.08 0.00 0.00 179.45 179.30 1zza h ALA 78 N 1.10 -0.06 -0.05 3.86 0.00 -0.04 0.15 119.26 124.22 1zza h ALA 78 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1zza h ALA 78 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1zza h ALA 78 CO 0.03 -0.33 -0.25 1.57 0.00 0.00 0.00 179.25 180.26 1zza h LYS 79 N -0.46 0.09 0.00 0.00 2.10 -0.49 0.20 116.57 118.01 1zza h LYS 79 Ca -0.01 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.50 1zza h LYS 79 Cb 0.42 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 1zza h LYS 79 CO 0.01 0.34 -0.58 1.25 -2.00 0.00 0.00 179.45 178.47 1zza h LEU 80 N 0.08 0.00 0.17 7.07 5.85 -0.49 -3.31 115.31 124.69 1zza h LEU 80 Ca 0.01 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.38 1zza h LEU 80 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1zza h LEU 80 CO 0.04 0.58 -1.80 -0.03 -0.34 0.00 0.00 178.44 176.89 1zza h MET 81 N 0.00 0.35 -7.05 1.25 4.05 -0.32 -3.47 114.93 109.73 1zza h MET 81 Ca -0.01 -0.60 -0.55 0.00 -0.28 0.00 0.00 59.70 58.27 1zza h MET 81 Cb 1.30 0.22 0.13 0.00 -0.80 0.00 0.00 31.60 32.45 1zza h MET 81 CO 0.08 1.29 0.60 -0.08 0.23 0.00 0.00 176.91 179.02 1zza s THR 82 N -2.56 2.13 -2.00 -0.77 -1.32 0.64 -4.89 115.64 106.87 1zza s THR 82 Ca -0.18 0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1zza s THR 82 Cb 0.06 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 68.00 1zza s THR 82 CO 0.82 -0.00 0.94 -0.81 -2.21 0.00 0.00 174.62 173.36 1zza n PRO 83 N -1.06 0.94 -2.41 7.08 -0.04 -1.26 -4.88 135.00 133.37 1zza n PRO 83 Ca 0.11 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1zza n PRO 83 Cb 0.45 -1.00 -0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1zza n PRO 83 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1zza n ASN 84 N -0.50 -1.32 0.00 3.54 6.94 -1.26 -4.66 115.26 117.99 1zza n ASN 84 Ca 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 54.58 55.00 1zza n ASN 84 Cb 0.00 -1.27 0.00 0.00 -2.36 0.00 0.00 39.78 36.15 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1zza n GLY 85 N -0.51 0.90 0.00 4.83 0.00 -1.26 -5.11 105.19 104.04 1zza n GLY 85 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.58 135.00 130.73 1zza n PRO 86 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1zza n PRO 86 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 0.00 0.00 -0.01 0.54 2.13 -1.26 -2.69 120.64 119.35 1zza n GLU 87 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1zza n GLU 87 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 1zza n GLU 87 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1zza n VAL 88 N 0.00 0.06 -4.44 6.31 3.14 -1.26 -3.96 118.33 118.17 1zza n VAL 88 Ca 0.00 -0.25 -0.25 0.00 -2.96 0.00 0.00 64.34 60.88 1zza n VAL 88 Cb 0.00 0.18 -0.11 0.00 -1.06 0.00 0.00 33.84 32.85 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 -2.68 2.32 -1.90 1.45 5.65 -1.09 -5.12 115.29 113.92 1zza s HIS 89 Ca -0.04 -0.33 0.15 0.00 0.25 0.00 0.00 55.06 55.09 1zza s HIS 89 Cb 0.06 -1.07 0.12 0.00 -1.18 0.00 0.00 32.58 30.51 1zza s HIS 89 CO 0.43 0.62 0.98 0.41 -0.65 0.00 0.00 174.74 176.53