#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 -3.06 1.61 3.41 -1.26 -4.21 113.62 110.11 1zza n SER 2 Ca 0.00 0.03 -0.21 0.00 -0.26 0.00 0.00 58.87 58.43 1zza n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1zza n SER 2 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1zza n MET 3 N -0.32 2.11 -3.30 4.33 2.81 -1.26 -4.56 117.12 116.94 1zza n MET 3 Ca 0.00 -1.41 -0.17 0.00 -1.81 0.00 0.00 57.70 54.32 1zza n MET 3 Cb 0.00 -2.40 -0.07 0.00 -0.71 0.00 0.00 33.22 30.05 1zza n MET 3 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1zza s SER 4 N 3.17 0.84 0.21 7.83 1.04 -1.26 -5.03 113.70 120.49 1zza s SER 4 Ca 0.42 -1.82 -0.18 0.00 0.48 0.00 0.00 55.95 54.85 1zza s SER 4 Cb 0.12 0.59 0.19 0.00 0.10 0.00 0.00 66.02 67.02 1zza s SER 4 CO -0.03 -0.22 1.45 2.30 0.98 0.00 0.00 173.24 177.72 1zza n ILE 5 N 3.87 -0.51 0.00 -1.02 -5.35 -1.26 -4.09 119.36 111.00 1zza n ILE 5 Ca 0.15 2.20 0.00 0.00 -0.27 0.00 0.00 62.75 64.83 1zza n ILE 5 Cb 0.47 -2.89 0.00 0.00 -1.74 0.00 0.00 39.64 35.48 1zza n ILE 5 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1zza n MET 6 N -5.35 0.00 0.00 6.28 2.81 -1.26 -4.28 117.12 115.31 1zza n MET 6 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1zza n MET 6 Cb 0.36 -0.01 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 1zza n MET 6 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1zza n ASP 7 N -1.43 0.00 0.00 7.83 2.03 -1.26 -2.73 116.55 121.00 1zza n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1zza n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1zza n ASP 7 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1zza n HIS 8 N 0.00 0.00 -3.71 -0.67 8.25 -1.26 -4.94 115.22 112.89 1zza n HIS 8 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1zza n HIS 8 Cb 0.00 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1zza n HIS 8 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1zza s SER 9 N -3.53 -0.04 -0.70 0.41 0.01 -1.10 -5.03 113.70 103.71 1zza s SER 9 Ca 0.00 -0.15 -0.13 0.00 1.31 0.00 0.00 55.95 56.98 1zza s SER 9 Cb 0.00 0.15 -0.11 0.00 0.21 0.00 0.00 66.02 66.28 1zza s SER 9 CO 0.00 -0.29 1.89 -0.81 0.41 0.00 0.00 173.24 174.44 1zza n PRO 10 N -0.60 1.50 0.00 12.44 -0.04 -1.26 -3.17 135.00 143.87 1zza n PRO 10 Ca -0.06 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 1zza n PRO 10 Cb 0.62 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1zza n PRO 10 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1zza n THR 11 N 5.15 0.00 -0.21 0.52 5.66 -1.26 -4.84 114.28 119.30 1zza n THR 11 Ca 0.42 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.60 1zza n THR 11 Cb 0.24 0.00 0.52 0.00 -1.55 0.00 0.00 70.33 69.54 1zza n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1zza h THR 12 N 0.00 0.72 0.07 1.09 1.03 -1.83 0.36 112.91 114.35 1zza h THR 12 Ca 0.00 -0.13 -0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1zza h THR 12 Cb 0.00 0.30 0.00 0.00 -1.07 0.00 0.00 68.15 67.38 1zza h THR 12 CO 0.00 0.07 -0.04 1.23 -0.01 0.00 0.00 175.52 176.78 1zza h GLY 13 N 0.39 -0.10 0.74 2.99 0.00 -1.78 -0.66 103.07 104.66 1zza h GLY 13 Ca 0.43 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.88 1zza h GLY 13 CO -0.14 -0.04 0.59 -2.08 0.00 0.00 0.00 176.54 174.87 1zza h VAL 14 N -0.81 1.01 -0.26 4.60 2.07 -1.66 0.20 116.25 121.41 1zza h VAL 14 Ca -0.01 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1zza h VAL 14 Cb 0.61 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1zza h VAL 14 CO 0.02 0.18 -0.24 0.58 0.02 0.00 0.00 177.57 178.12 1zza h VAL 15 N 0.98 1.31 -0.05 2.57 2.07 -0.35 -0.57 116.25 122.21 1zza h VAL 15 Ca 0.42 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.56 1zza h VAL 15 Cb 0.32 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1zza h VAL 15 CO -0.17 0.44 -0.10 0.74 0.02 0.00 0.00 177.57 178.49 1zza h THR 16 N 0.35 0.72 -0.65 2.57 2.02 0.05 0.27 112.91 118.24 1zza h THR 16 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 1zza h THR 16 Cb 0.80 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 1zza h THR 16 CO 0.06 0.00 0.12 -0.37 0.37 0.00 0.00 175.52 175.70 1zza h VAL 17 N -0.15 1.26 -0.47 3.16 -1.51 -0.99 -1.30 116.25 116.25 1zza h VAL 17 Ca 0.06 -0.98 -0.07 0.00 -1.23 0.00 0.00 66.70 64.47 1zza h VAL 17 Cb 0.23 0.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 1zza h VAL 17 CO -0.14 0.37 0.00 0.40 -1.23 0.00 0.00 177.57 176.97 1zza h ILE 18 N 0.99 1.24 0.17 7.19 1.08 -0.53 0.49 117.51 128.14 1zza h ILE 18 Ca 0.20 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 1zza h ILE 18 Cb 0.40 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1zza h ILE 18 CO 0.01 0.34 -0.08 0.58 -0.69 0.00 0.00 178.15 178.31 1zza h VAL 19 N 0.72 0.95 -0.50 1.67 2.07 -0.07 0.41 116.25 121.49 1zza h VAL 19 Ca 0.14 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1zza h VAL 19 Cb 0.43 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1zza h VAL 19 CO 0.02 0.15 0.11 0.16 0.02 0.00 0.00 177.57 178.02 1zza h ILE 20 N -0.54 1.22 -0.10 4.57 3.07 -1.09 0.17 117.51 124.79 1zza h ILE 20 Ca -0.02 -0.80 -0.01 0.00 1.55 0.00 0.00 64.86 65.58 1zza h ILE 20 Cb 0.41 0.72 -0.00 0.00 -0.27 0.00 0.00 36.82 37.68 1zza h ILE 20 CO 0.04 0.29 0.03 -0.07 -1.05 0.00 0.00 178.15 177.39 1zza h LEU 21 N 0.74 0.16 -0.58 0.16 3.38 0.14 0.34 115.31 119.66 1zza h LEU 21 Ca 0.16 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1zza h LEU 21 Cb 0.30 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1zza h LEU 21 CO 0.00 0.33 0.36 0.40 0.09 0.00 0.00 178.44 179.62 1zza h ILE 22 N -0.03 1.09 -0.44 1.22 1.08 0.26 0.20 117.51 120.89 1zza h ILE 22 Ca 0.03 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1zza h ILE 22 Cb 0.23 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 1zza h ILE 22 CO -0.00 0.13 0.22 0.00 -0.69 0.00 0.00 178.15 177.81 1zza h ALA 23 N 1.24 0.57 -0.32 1.87 0.00 -0.40 0.36 119.26 122.59 1zza h ALA 23 Ca 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1zza h ALA 23 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1zza h ALA 23 CO -0.08 0.12 0.17 0.82 0.00 0.00 0.00 179.25 180.28 1zza h ILE 24 N 0.58 1.13 -0.52 0.00 2.04 0.26 0.27 117.51 121.26 1zza h ILE 24 Ca 0.15 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1zza h ILE 24 Cb 0.10 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1zza h ILE 24 CO -0.02 0.14 0.27 0.00 0.00 0.00 0.00 178.15 178.54 1zza h ALA 25 N 1.04 0.67 -0.41 1.87 0.00 -0.30 0.33 119.26 122.46 1zza h ALA 25 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1zza h ALA 25 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1zza h ALA 25 CO -0.02 0.21 0.21 0.00 0.00 0.00 0.00 179.25 179.65 1zza h ALA 26 N 1.11 0.52 -0.31 0.00 0.00 0.08 0.34 119.26 121.01 1zza h ALA 26 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1zza h ALA 26 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1zza h ALA 26 CO -0.03 0.06 0.17 1.25 0.00 0.00 0.00 179.25 180.71 1zza h LEU 27 N 0.52 0.38 -0.68 0.00 6.46 -0.08 0.28 115.31 122.19 1zza h LEU 27 Ca 0.14 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1zza h LEU 27 Cb 0.08 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 1zza h LEU 27 CO -0.02 0.35 0.44 1.23 -0.62 0.00 0.00 178.44 179.82 1zza h GLY 28 N 0.38 0.97 0.96 3.75 0.00 0.04 0.13 103.07 109.29 1zza h GLY 28 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1zza h GLY 28 CO -0.02 0.32 0.13 0.00 0.00 0.00 0.00 176.54 176.98 1zza h ALA 29 N 1.27 0.59 -0.63 3.60 0.00 0.19 0.39 119.26 124.67 1zza h ALA 29 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1zza h ALA 29 Cb -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1zza h ALA 29 CO -0.08 0.25 0.24 1.37 0.00 0.00 0.00 179.25 181.04 1zza h LEU 30 N 0.59 0.85 -0.04 0.00 8.10 0.10 0.29 115.31 125.21 1zza h LEU 30 Ca 0.14 -0.12 -0.03 0.00 0.11 0.00 0.00 57.88 57.99 1zza h LEU 30 Cb 0.28 -0.22 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1zza h LEU 30 CO -0.00 0.77 -0.08 0.40 -4.11 0.00 0.00 178.44 175.42 1zza h ILE 31 N 0.91 1.44 -0.43 0.15 2.04 -0.36 -0.24 117.51 121.02 1zza h ILE 31 Ca 0.21 -1.42 0.03 0.00 1.00 0.00 0.00 64.86 64.69 1zza h ILE 31 Cb 0.19 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 1zza h ILE 31 CO -0.02 0.38 0.23 0.25 0.00 0.00 0.00 178.15 178.99 1zza h LEU 32 N -0.42 0.34 -0.40 1.44 5.85 0.00 -0.29 115.31 121.83 1zza h LEU 32 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1zza h LEU 32 Cb 0.66 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1zza h LEU 32 CO 0.02 0.24 0.13 1.23 -0.34 0.00 0.00 178.44 179.72 1zza h GLY 33 N 0.45 0.67 0.84 3.75 0.00 -0.43 0.42 103.07 108.77 1zza h GLY 33 Ca 0.18 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.14 1zza h GLY 33 CO -0.12 0.37 0.05 0.00 0.00 0.00 0.00 176.54 176.84 1zza n TRP 35 N -5.06 -0.80 0.00 0.00 -0.00 -0.16 -5.03 117.44 106.39 1zza n TRP 35 Ca -0.03 -0.77 0.00 0.00 -0.00 0.00 0.00 57.50 56.70 1zza n TRP 35 Cb 0.07 1.06 0.00 0.00 -0.00 0.00 0.00 31.31 32.44 1zza n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1zza n TYR 37 N 0.00 -3.73 0.01 0.00 4.19 -1.26 -3.54 117.16 112.84 1zza n TYR 37 Ca 0.00 0.96 0.00 0.00 3.31 0.00 0.00 57.90 62.17 1zza n TYR 37 Cb 0.00 2.58 0.00 0.00 0.49 0.00 0.00 39.34 42.41 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 -3.18 0.20 -1.32 2.98 7.94 -1.24 -4.98 117.00 117.40 1zza n LEU 38 Ca 0.00 0.04 0.01 0.00 -1.11 0.00 0.00 56.01 54.95 1zza n LEU 38 Cb 0.00 -0.05 -0.00 0.00 0.53 0.00 0.00 43.42 43.90 1zza n LEU 38 CO 0.00 -0.56 0.14 0.54 -1.11 0.00 0.00 177.39 176.41 1zza n ARG 39 N -2.71 0.00 -4.06 1.96 5.12 -1.26 -4.98 116.66 110.73 1zza n ARG 39 Ca 0.00 -1.68 -0.32 0.00 -1.93 0.00 0.00 57.85 53.92 1zza n ARG 39 Cb 0.00 0.11 -0.00 0.00 -1.16 0.00 0.00 32.46 31.40 1zza n ARG 39 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1zza n LEU 40 N 0.35 -2.13 -0.65 0.55 0.00 -1.25 -4.86 117.00 109.00 1zza n LEU 40 Ca -0.03 -0.92 0.06 0.00 0.00 0.00 0.00 56.01 55.12 1zza n LEU 40 Cb 1.01 -2.30 0.19 0.00 0.00 0.00 0.00 43.42 42.32 1zza n LEU 40 CO -0.06 0.38 0.34 0.00 0.00 0.00 0.00 177.39 178.05 1zza n GLN 41 N -4.49 1.42 0.00 1.96 10.64 -1.26 -4.97 117.38 120.68 1zza n GLN 41 Ca -0.00 -3.14 0.00 0.00 -1.83 0.00 0.00 57.00 52.03 1zza n GLN 41 Cb 0.54 -1.46 0.00 0.00 -0.86 0.00 0.00 30.24 28.45 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1zza n ARG 42 N -0.99 0.00 -0.43 2.61 3.00 -1.26 -4.99 116.66 114.60 1zza n ARG 42 Ca 0.18 0.00 0.35 0.00 -0.00 0.00 0.00 57.85 58.38 1zza n ARG 42 Cb 0.73 0.00 0.63 0.00 0.00 0.00 0.00 32.46 33.82 1zza n ARG 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1zza h ILE 43 N 0.00 0.15 0.00 5.15 3.07 -2.03 -3.43 117.51 120.42 1zza h ILE 43 Ca 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.37 1zza h ILE 43 Cb 0.00 0.03 0.00 0.00 -0.27 0.00 0.00 36.82 36.58 1zza h ILE 43 CO 0.00 0.02 0.00 -0.24 -1.05 0.00 0.00 178.15 176.88 1zza n SER 44 N -4.70 0.00 -4.49 2.16 2.88 -1.26 -4.62 113.62 103.59 1zza n SER 44 Ca 0.36 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.48 1zza n SER 44 Cb 1.38 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.80 1zza n SER 44 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1zza s GLN 45 N 0.00 3.35 -0.29 -1.46 -0.21 -1.26 -4.66 119.66 115.13 1zza s GLN 45 Ca 0.00 -1.05 0.08 0.00 0.02 0.00 0.00 55.36 54.41 1zza s GLN 45 Cb 0.00 -4.64 0.28 0.00 1.00 0.00 0.00 33.01 29.65 1zza s GLN 45 CO 0.00 -1.94 1.24 0.43 -2.12 0.00 0.00 175.29 172.90 1zza n SER 46 N 7.90 -1.28 0.00 5.90 7.64 -1.26 -5.15 113.62 127.37 1zza n SER 46 Ca 0.12 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1zza n SER 46 Cb 0.48 0.70 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 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 -0.88 0.00 -3.54 1.43 -0.58 -1.26 -4.90 120.64 110.91 1zza n GLU 47 Ca -0.12 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.40 1zza n GLU 47 Cb 0.77 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.72 1zza n GLU 47 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1zza n ASP 48 N 0.00 -4.50 -3.86 1.62 8.00 -1.26 -2.91 116.55 113.63 1zza n ASP 48 Ca 0.00 -0.58 -0.24 0.00 0.71 0.00 0.00 54.79 54.67 1zza n ASP 48 Cb 0.00 -5.02 0.00 0.00 -0.02 0.00 0.00 41.12 36.08 1zza n ASP 48 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1zza n GLU 49 N -4.64 -4.06 -2.93 -1.24 -0.58 -1.26 -4.93 120.64 101.00 1zza n GLU 49 Ca -0.12 0.50 -0.40 0.00 -0.42 0.00 0.00 57.16 56.72 1zza n GLU 49 Cb 0.61 -4.86 -0.05 0.00 -0.57 0.00 0.00 31.44 26.56 1zza n GLU 49 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1zza s GLU 50 N -6.35 4.54 0.00 3.49 -6.30 -1.15 -4.89 118.70 108.05 1zza s GLU 50 Ca 0.07 1.15 0.00 0.00 -2.50 0.00 0.00 54.97 53.69 1zza s GLU 50 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.74 1zza s GLU 50 CO 0.86 0.29 0.61 0.43 0.02 0.00 0.00 175.26 177.46 1zza n SER 51 N 2.73 -0.12 0.00 -1.70 7.64 -1.26 -4.94 113.62 115.97 1zza n SER 51 Ca -0.02 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.66 1zza n SER 51 Cb 0.50 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.01 0.00 0.00 0.44 5.41 -1.26 -4.28 119.36 119.67 1zza n ILE 52 Ca -0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1zza n ILE 52 Cb 0.55 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.62 0.00 -2.60 1.39 0.24 -1.26 -4.24 118.33 109.24 1zza n VAL 53 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1zza n VAL 53 Cb 0.43 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.00 4.38 3.72 7.63 0.00 -1.26 -5.09 105.19 114.57 1zza n GLY 54 Ca 0.00 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.29 2.30 0.02 1.61 -0.08 -1.26 -4.94 116.55 113.90 1zza n ASP 55 Ca 0.28 0.92 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1zza n ASP 55 Cb 0.70 -1.55 0.00 0.00 2.34 0.00 0.00 41.12 42.61 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1zza n GLY 56 N 0.87 -0.02 2.14 0.27 0.00 -1.26 -4.89 105.19 102.29 1zza n GLY 56 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.19 0.84 -3.07 1.61 0.28 -1.26 -4.98 120.64 110.87 1zza n GLU 57 Ca 0.00 -2.62 -0.18 0.00 -0.16 0.00 0.00 57.16 54.19 1zza n GLU 57 Cb 0.28 -0.70 -0.01 0.00 1.43 0.00 0.00 31.44 32.44 1zza n GLU 57 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1zza n THR 58 N -0.10 -0.71 -2.83 3.84 -1.04 -1.26 -4.84 114.28 107.34 1zza n THR 58 Ca 0.04 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.95 1zza n THR 58 Cb 0.96 -1.49 0.02 0.00 -1.82 0.00 0.00 70.33 68.00 1zza n THR 58 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1zza n LYS 59 N -3.34 0.69 -4.21 -2.82 4.81 -1.26 -5.14 118.16 106.89 1zza n LYS 59 Ca -0.04 -2.04 -0.12 0.00 -0.87 0.00 0.00 58.31 55.24 1zza n LYS 59 Cb 0.55 -1.45 -0.10 0.00 0.02 0.00 0.00 35.03 34.05 1zza n LYS 59 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1zza s GLU 60 N 0.47 0.94 0.33 1.64 8.01 -1.26 -5.04 118.70 123.80 1zza s GLU 60 Ca 0.32 -1.40 0.10 0.00 0.01 0.00 0.00 54.97 54.00 1zza s GLU 60 Cb 0.16 -0.35 0.56 0.00 -4.31 0.00 0.00 34.13 30.19 1zza s GLU 60 CO -0.19 -0.00 1.75 -1.00 0.01 0.00 0.00 175.26 175.83 1zza h PRO 61 N 2.87 0.10 0.14 0.39 0.13 -2.01 -2.97 132.00 130.65 1zza h PRO 61 Ca -0.36 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1zza h PRO 61 Cb 1.18 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1zza h PRO 61 CO 0.64 0.51 -0.31 0.74 -0.23 0.00 0.00 178.00 179.35 1zza h PHE 62 N 0.08 -0.88 0.00 1.56 -1.00 -1.96 0.22 116.94 114.96 1zza h PHE 62 Ca 0.01 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1zza h PHE 62 Cb 0.78 0.37 -0.00 0.00 3.61 0.00 0.00 35.95 40.71 1zza h PHE 62 CO 0.01 -0.37 -0.16 1.37 -1.61 0.00 0.00 178.31 177.55 1zza h LEU 63 N -0.49 0.00 0.09 1.54 8.10 -1.74 0.44 115.31 123.25 1zza h LEU 63 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.97 1zza h LEU 63 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 1zza h LEU 63 CO -0.13 0.16 -0.05 0.25 -4.11 0.00 0.00 178.44 174.57 1zza h LEU 64 N 0.00 -0.11 -0.32 0.17 5.85 -1.18 0.30 115.31 120.03 1zza h LEU 64 Ca -0.00 -0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.42 1zza h LEU 64 Cb 0.35 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1zza h LEU 64 CO 0.02 0.03 -0.81 -0.37 -0.34 0.00 0.00 178.44 176.97 1zza h VAL 65 N -0.24 1.39 -0.01 1.05 -1.51 -0.73 -0.65 116.25 115.55 1zza h VAL 65 Ca -0.01 -2.27 -0.00 0.00 -1.23 0.00 0.00 66.70 63.18 1zza h VAL 65 Cb 0.20 2.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.59 1zza h VAL 65 CO 0.02 0.68 0.01 -0.61 -1.23 0.00 0.00 177.57 176.44 1zza h GLN 66 N 0.25 0.01 -0.47 5.19 5.75 -0.76 0.10 115.11 125.19 1zza h GLN 66 Ca -0.05 -0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 1zza h GLN 66 Cb 1.41 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.94 1zza h GLN 66 CO 0.14 0.06 -0.04 -0.92 -2.65 0.00 0.00 178.83 175.42 1zza h TYR 67 N -0.04 0.95 -0.88 3.99 5.03 -0.42 0.33 116.97 125.93 1zza h TYR 67 Ca 0.00 -0.18 0.08 0.00 2.58 0.00 0.00 58.73 61.21 1zza h TYR 67 Cb 0.05 -0.24 -0.06 0.00 1.55 0.00 0.00 36.73 38.03 1zza h TYR 67 CO -0.06 0.92 0.57 0.77 -1.32 0.00 0.00 178.16 179.04 1zza h SER 68 N 0.71 0.84 0.32 -2.11 0.02 -0.80 0.92 113.55 113.45 1zza h SER 68 Ca 0.13 0.01 -0.33 0.00 -0.84 0.00 0.00 61.79 60.76 1zza h SER 68 Cb 0.56 -0.16 0.02 0.00 0.14 0.00 0.00 62.40 62.96 1zza h SER 68 CO 0.03 0.52 -1.54 0.00 -1.14 0.00 0.00 176.83 174.70 1zza h ALA 69 N 1.54 0.04 -0.64 3.77 0.00 -0.45 -3.33 119.26 120.19 1zza h ALA 69 Ca 0.39 -0.99 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1zza h ALA 69 Cb 0.29 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1zza h ALA 69 CO -0.16 0.91 0.26 1.57 0.00 0.00 0.00 179.25 181.83 1zza h LYS 70 N 0.11 0.92 -0.15 0.00 2.10 0.19 -1.12 116.57 118.62 1zza h LYS 70 Ca -0.27 -0.14 0.02 0.00 -2.00 0.00 0.00 60.65 58.26 1zza h LYS 70 Cb 2.10 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 33.23 1zza h LYS 70 CO 0.22 0.75 -0.33 0.78 -2.00 0.00 0.00 179.45 178.86 1zza h GLY 71 N 1.01 -1.32 1.21 0.07 0.00 -0.94 2.02 103.07 105.11 1zza h GLY 71 Ca 0.22 0.71 -0.10 0.00 0.00 0.00 0.00 47.33 48.16 1zza h GLY 71 CO -0.02 -0.36 -0.05 -0.56 0.00 0.00 0.00 176.54 175.55 1zza h PRO 72 N -0.31 0.94 -0.20 4.80 0.13 -1.71 0.13 132.00 135.77 1zza h PRO 72 Ca 0.03 -0.31 -0.01 0.00 -0.87 0.00 0.00 66.00 64.85 1zza h PRO 72 Cb 0.39 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 1zza h PRO 72 CO -0.30 0.96 0.10 0.00 -0.23 0.00 0.00 178.00 178.53 1zza h VAL 74 N 0.21 1.26 -0.81 0.00 2.07 0.33 -0.11 116.25 119.20 1zza h VAL 74 Ca 0.07 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 66.66 1zza h VAL 74 Cb 0.10 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 1zza h VAL 74 CO -0.01 0.33 0.49 -0.08 0.02 0.00 0.00 177.57 178.32 1zza h GLU 75 N 0.46 0.85 0.50 1.57 4.22 -0.54 0.35 114.58 121.99 1zza h GLU 75 Ca 0.10 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.47 1zza h GLU 75 Cb 0.47 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1zza h GLU 75 CO 0.02 0.57 -0.24 0.00 -2.18 0.00 0.00 179.01 177.17 1zza h ARG 76 N 0.88 -0.65 0.24 1.92 2.47 -0.35 -1.06 114.38 117.84 1zza h ARG 76 Ca 0.36 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1zza h ARG 76 Cb 0.20 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.65 1zza h ARG 76 CO -0.18 -0.37 -0.25 0.87 0.56 0.00 0.00 179.97 180.59 1zza h LYS 77 N -0.82 -0.51 -0.65 0.04 1.57 -0.59 0.34 116.57 115.94 1zza h LYS 77 Ca -0.07 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.85 1zza h LYS 77 Cb 0.58 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 1zza h LYS 77 CO 0.11 -0.34 0.24 0.00 -0.57 0.00 0.00 179.45 178.90 1zza h ALA 78 N 0.13 0.86 -0.18 3.86 0.00 -0.34 0.39 119.26 123.99 1zza h ALA 78 Ca -0.00 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1zza h ALA 78 Cb 0.50 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1zza h ALA 78 CO -0.06 -0.20 -0.58 0.87 0.00 0.00 0.00 179.25 179.28 1zza h LYS 79 N 0.42 0.71 -0.39 0.00 1.57 -0.89 0.44 116.57 118.42 1zza h LYS 79 Ca 0.34 -0.52 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1zza h LYS 79 Cb 0.45 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1zza h LYS 79 CO -0.34 1.14 -0.24 1.25 -0.57 0.00 0.00 179.45 180.69 1zza h LEU 80 N 0.41 0.89 0.00 2.94 5.85 0.26 -3.24 115.31 122.42 1zza h LEU 80 Ca -0.02 -0.42 -0.12 0.00 0.84 0.00 0.00 57.88 58.15 1zza h LEU 80 Cb 1.20 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1zza h LEU 80 CO 0.12 1.12 -1.22 -0.03 -0.34 0.00 0.00 178.44 178.10 1zza h MET 81 N 0.66 0.00 -5.94 1.25 4.05 -0.30 -3.49 114.93 111.17 1zza h MET 81 Ca 0.08 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.15 1zza h MET 81 Cb 0.81 0.00 0.12 0.00 -0.80 0.00 0.00 31.60 31.73 1zza h MET 81 CO 0.07 0.24 -0.87 2.41 0.23 0.00 0.00 176.91 178.99 1zza n THR 82 N -2.88 -7.15 1.01 -0.77 -1.04 0.15 -4.84 114.28 98.76 1zza n THR 82 Ca -0.06 -1.04 0.00 0.00 -2.04 0.00 0.00 64.05 60.91 1zza n THR 82 Cb 0.76 -5.18 0.00 0.00 -1.82 0.00 0.00 70.33 64.09 1zza n THR 82 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1zza n PRO 83 N -3.70 0.98 -0.55 -2.82 -0.04 -1.24 -4.48 135.00 123.14 1zza n PRO 83 Ca -0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 1zza n PRO 83 Cb 0.60 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 1zza n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1zza n ASN 84 N -0.01 3.67 0.27 3.54 4.13 -1.26 -4.39 115.26 121.21 1zza n ASN 84 Ca 0.00 -2.10 -0.11 0.00 1.68 0.00 0.00 54.58 54.05 1zza n ASN 84 Cb 0.24 -0.90 -0.05 0.00 -1.54 0.00 0.00 39.78 37.52 1zza n ASN 84 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1zza h GLY 85 N 4.49 -0.76 2.00 7.41 0.00 -1.91 -3.04 103.07 111.25 1zza h GLY 85 Ca 0.08 0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 1zza h GLY 85 CO 0.18 -0.28 -0.35 -0.56 0.00 0.00 0.00 176.54 175.54 1zza h PRO 86 N -1.08 0.00 -0.59 4.80 0.13 -1.76 0.34 132.00 133.84 1zza h PRO 86 Ca -0.07 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.11 1zza h PRO 86 Cb 0.56 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 1zza h PRO 86 CO 0.12 0.35 0.39 0.93 -0.23 0.00 0.00 178.00 179.56 1zza h GLU 87 N 0.00 0.56 0.00 0.86 3.07 -1.85 -2.84 114.58 114.38 1zza h GLU 87 Ca -0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1zza h GLU 87 Cb 0.62 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1zza h GLU 87 CO 0.04 0.37 -1.08 1.55 -1.40 0.00 0.00 179.01 178.50 1zza n VAL 88 N -4.47 0.00 -3.27 3.13 3.14 -1.04 -4.92 118.33 110.90 1zza n VAL 88 Ca 0.08 -0.25 -0.05 0.00 -2.96 0.00 0.00 64.34 61.16 1zza n VAL 88 Cb 0.23 0.60 -0.05 0.00 -1.06 0.00 0.00 33.84 33.56 1zza n VAL 88 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1zza s HIS 89 N -2.51 -1.19 0.00 1.45 3.76 0.12 -5.10 115.29 111.82 1zza s HIS 89 Ca -0.00 0.68 0.00 0.00 -0.15 0.00 0.00 55.06 55.59 1zza s HIS 89 Cb 0.09 0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.80 1zza s HIS 89 CO 0.51 -0.95 0.02 0.41 -0.85 0.00 0.00 174.74 173.88