#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 -1.15 0.07 1.61 2.88 -1.26 -4.97 113.62 110.79 1zza n SER 2 Ca 0.00 -0.74 -0.02 0.00 -1.33 0.00 0.00 58.87 56.78 1zza n SER 2 Cb 0.00 -0.28 -0.06 0.00 -0.75 0.00 0.00 64.21 63.12 1zza n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza h MET 3 N 0.00 0.00 -1.93 -1.46 -0.00 -2.08 -3.35 114.93 106.12 1zza h MET 3 Ca -0.12 0.00 -0.70 0.00 -0.00 0.00 0.00 59.70 58.88 1zza h MET 3 Cb 0.35 0.00 -0.33 0.00 -0.00 0.00 0.00 31.60 31.62 1zza h MET 3 CO 0.08 0.54 0.36 0.45 -0.00 0.00 0.00 176.91 178.33 1zza n SER 4 N -3.12 6.36 -0.99 -0.10 2.88 -1.26 -4.88 113.62 112.52 1zza n SER 4 Ca -0.05 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.73 1zza n SER 4 Cb 0.86 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.42 0.00 -0.98 2.46 -6.64 -1.26 -4.83 119.36 107.70 1zza n ILE 5 Ca 0.46 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.44 1zza n ILE 5 Cb 0.38 -0.94 0.00 0.00 -1.44 0.00 0.00 39.64 37.64 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 -0.46 0.02 0.26 6.28 2.81 -1.25 -3.24 117.12 121.54 1zza n MET 6 Ca 0.00 -0.26 0.12 0.00 -1.81 0.00 0.00 57.70 55.75 1zza n MET 6 Cb 0.00 -0.51 0.68 0.00 -0.71 0.00 0.00 33.22 32.68 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 0.00 7.83 3.04 -1.98 -3.37 116.42 121.94 1zza h ASP 7 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1zza h ASP 7 Cb 0.73 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.02 1zza h ASP 7 CO 0.00 0.14 0.00 0.00 -2.04 0.00 0.00 179.24 177.34 1zza n HIS 8 N -3.71 0.00 -3.69 4.15 1.44 -1.26 -5.08 115.22 107.06 1zza n HIS 8 Ca -0.02 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.55 1zza n HIS 8 Cb 0.25 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.22 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1zza s SER 9 N 0.00 0.29 -1.18 4.39 0.15 -1.26 -5.07 113.70 111.03 1zza s SER 9 Ca 0.00 0.46 -0.21 0.00 0.70 0.00 0.00 55.95 56.90 1zza s SER 9 Cb 0.00 0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1zza s SER 9 CO 0.00 -0.22 1.84 -2.16 1.20 0.00 0.00 173.24 173.90 1zza s PRO 10 N 2.00 3.06 0.31 5.44 0.04 -1.26 -3.86 135.00 140.72 1zza s PRO 10 Ca -0.02 -1.34 0.04 0.00 0.04 0.00 0.00 61.00 59.73 1zza s PRO 10 Cb -0.12 -5.33 0.64 0.00 0.04 0.00 0.00 34.50 29.74 1zza s PRO 10 CO -0.07 -3.23 1.84 0.00 0.04 0.00 0.00 177.00 175.58 1zza h THR 11 N 6.15 0.89 -0.89 1.26 1.03 -1.87 0.50 112.91 119.97 1zza h THR 11 Ca 0.28 -0.31 -0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1zza h THR 11 Cb 0.93 -0.09 -0.04 0.00 -1.07 0.00 0.00 68.15 67.88 1zza h THR 11 CO 1.31 0.16 0.56 0.71 -0.01 0.00 0.00 175.52 178.25 1zza h THR 12 N 0.90 1.24 0.04 0.00 1.35 -1.86 0.52 112.91 115.09 1zza h THR 12 Ca 0.49 -0.50 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1zza h THR 12 Cb 0.57 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1zza h THR 12 CO -0.25 0.25 -0.02 1.23 -0.25 0.00 0.00 175.52 176.48 1zza h GLY 13 N 1.22 -0.06 0.66 5.82 0.00 -1.19 0.33 103.07 109.86 1zza h GLY 13 Ca 0.32 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.75 1zza h GLY 13 CO -0.06 -0.02 0.63 -2.08 0.00 0.00 0.00 176.54 175.01 1zza h VAL 14 N -0.57 1.03 -0.25 4.60 2.07 0.12 0.17 116.25 123.43 1zza h VAL 14 Ca -0.01 -0.38 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1zza h VAL 14 Cb 0.52 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1zza h VAL 14 CO 0.01 0.20 -0.37 0.58 0.02 0.00 0.00 177.57 178.01 1zza h VAL 15 N 1.11 1.31 -0.39 2.57 2.07 0.10 -1.26 116.25 121.76 1zza h VAL 15 Ca 0.45 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1zza h VAL 15 Cb 0.26 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1zza h VAL 15 CO -0.20 0.50 0.20 0.74 0.02 0.00 0.00 177.57 178.82 1zza h THR 16 N 0.41 0.98 -0.32 2.57 2.02 0.83 0.14 112.91 119.55 1zza h THR 16 Ca 0.02 -0.14 -0.15 0.00 0.77 0.00 0.00 66.41 66.92 1zza h THR 16 Cb 0.96 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1zza h THR 16 CO 0.09 0.07 -0.38 -0.37 0.37 0.00 0.00 175.52 175.30 1zza h VAL 17 N 0.40 1.29 -0.20 3.16 -1.51 -0.68 -0.98 116.25 117.73 1zza h VAL 17 Ca 0.16 -1.55 -0.10 0.00 -1.23 0.00 0.00 66.70 63.98 1zza h VAL 17 Cb 0.07 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1zza h VAL 17 CO -0.11 0.51 -0.31 0.16 -1.23 0.00 0.00 177.57 176.59 1zza h ILE 18 N 0.60 1.28 -0.34 7.19 3.07 -0.97 0.54 117.51 128.88 1zza h ILE 18 Ca 0.04 -1.35 -0.08 0.00 1.55 0.00 0.00 64.86 65.02 1zza h ILE 18 Cb 0.97 1.47 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 1zza h ILE 18 CO 0.09 0.42 -0.11 0.58 -1.05 0.00 0.00 178.15 178.08 1zza h VAL 19 N 0.35 1.28 -0.53 0.16 2.07 -0.63 0.35 116.25 119.31 1zza h VAL 19 Ca 0.05 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.26 1zza h VAL 19 Cb 0.72 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1zza h VAL 19 CO 0.06 0.39 -0.13 0.40 0.02 0.00 0.00 177.57 178.31 1zza h ILE 20 N 0.46 1.27 0.27 4.57 2.04 -0.88 -0.39 117.51 124.86 1zza h ILE 20 Ca 0.08 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 1zza h ILE 20 Cb 0.62 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1zza h ILE 20 CO 0.04 0.45 -0.13 -0.07 0.00 0.00 0.00 178.15 178.44 1zza h LEU 21 N 0.89 -0.31 -0.84 1.44 3.38 0.37 0.46 115.31 120.70 1zza h LEU 21 Ca 0.13 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1zza h LEU 21 Cb 0.70 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1zza h LEU 21 CO 0.05 -0.19 0.56 0.16 0.09 0.00 0.00 178.44 179.11 1zza h ILE 22 N -0.41 1.21 -0.38 1.22 3.07 -0.21 0.20 117.51 122.21 1zza h ILE 22 Ca -0.04 -0.39 -0.01 0.00 1.55 0.00 0.00 64.86 65.97 1zza h ILE 22 Cb 0.31 -0.02 -0.02 0.00 -0.27 0.00 0.00 36.82 36.82 1zza h ILE 22 CO 0.06 0.21 0.20 0.00 -1.05 0.00 0.00 178.15 177.57 1zza h ALA 23 N 1.31 0.49 -0.49 0.16 0.00 -0.74 0.38 119.26 120.36 1zza h ALA 23 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1zza h ALA 23 Cb -0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1zza h ALA 23 CO -0.07 0.02 0.25 0.82 0.00 0.00 0.00 179.25 180.27 1zza h ILE 24 N 0.48 1.18 -0.48 0.00 1.08 0.58 0.22 117.51 120.57 1zza h ILE 24 Ca 0.13 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 1zza h ILE 24 Cb 0.08 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 1zza h ILE 24 CO -0.02 0.20 0.26 0.00 -0.69 0.00 0.00 178.15 177.89 1zza h ALA 25 N 1.09 0.62 -0.29 1.87 0.00 -0.22 0.32 119.26 122.65 1zza h ALA 25 Ca 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1zza h ALA 25 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1zza h ALA 25 CO -0.02 0.15 0.17 0.00 0.00 0.00 0.00 179.25 179.54 1zza h ALA 26 N 1.10 0.37 -0.42 0.00 0.00 0.17 0.25 119.26 120.73 1zza h ALA 26 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1zza h ALA 26 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1zza h ALA 26 CO -0.03 -0.13 0.27 1.25 0.00 0.00 0.00 179.25 180.62 1zza h LEU 27 N 0.36 0.47 -0.52 0.00 6.46 -0.19 0.29 115.31 122.17 1zza h LEU 27 Ca 0.10 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1zza h LEU 27 Cb 0.02 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.80 1zza h LEU 27 CO -0.02 0.34 0.29 1.23 -0.62 0.00 0.00 178.44 179.66 1zza h GLY 28 N 0.56 0.74 0.96 3.75 0.00 0.16 0.19 103.07 109.42 1zza h GLY 28 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1zza h GLY 28 CO -0.04 0.16 0.17 0.00 0.00 0.00 0.00 176.54 176.83 1zza h ALA 29 N 1.25 0.61 -0.88 3.60 0.00 0.16 0.27 119.26 124.28 1zza h ALA 29 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1zza h ALA 29 Cb 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1zza h ALA 29 CO -0.12 0.24 0.58 -0.07 0.00 0.00 0.00 179.25 179.87 1zza h LEU 30 N 0.62 0.99 -0.09 0.00 3.38 0.20 0.25 115.31 120.67 1zza h LEU 30 Ca 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1zza h LEU 30 Cb 0.22 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1zza h LEU 30 CO -0.01 0.71 -0.04 0.40 0.09 0.00 0.00 178.44 179.59 1zza h ILE 31 N 1.17 1.32 -0.27 1.22 1.08 -0.21 -0.82 117.51 121.00 1zza h ILE 31 Ca 0.33 -1.06 0.02 0.00 -0.39 0.00 0.00 64.86 63.77 1zza h ILE 31 Cb -0.10 1.84 -0.03 0.00 -3.07 0.00 0.00 36.82 35.46 1zza h ILE 31 CO -0.08 0.30 0.11 0.25 -0.69 0.00 0.00 178.15 178.03 1zza h LEU 32 N -0.18 0.14 -0.24 1.44 5.85 -0.07 0.32 115.31 122.56 1zza h LEU 32 Ca 0.02 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1zza h LEU 32 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1zza h LEU 32 CO 0.01 0.11 0.14 1.23 -0.34 0.00 0.00 178.44 179.59 1zza h GLY 33 N 0.24 0.34 0.99 3.75 0.00 -0.50 0.38 103.07 108.27 1zza h GLY 33 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1zza h GLY 33 CO -0.10 0.14 0.30 0.00 0.00 0.00 0.00 176.54 176.88 1zza h TRP 35 N 0.79 0.35 -2.10 0.00 2.91 -0.09 -3.42 115.95 114.40 1zza h TRP 35 Ca 0.20 -0.06 -0.23 0.00 1.13 0.00 0.00 58.89 59.93 1zza h TRP 35 Cb 0.08 -0.09 -0.32 0.00 -0.51 0.00 0.00 29.16 28.32 1zza h TRP 35 CO -0.01 0.54 -0.55 0.00 -1.03 0.00 0.00 178.44 177.40 1zza n TYR 37 N 5.34 1.94 -2.26 0.00 9.36 -0.77 -0.28 117.16 130.49 1zza n TYR 37 Ca -0.04 0.61 -0.02 0.00 3.32 0.00 0.00 57.90 61.77 1zza n TYR 37 Cb 0.49 -2.42 -0.00 0.00 -0.63 0.00 0.00 39.34 36.78 1zza n TYR 37 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1zza n LEU 38 N 4.83 -0.19 -2.29 2.98 -0.00 -1.26 -0.12 117.00 120.95 1zza n LEU 38 Ca 0.26 0.39 -0.17 0.00 -0.00 0.00 0.00 56.01 56.49 1zza n LEU 38 Cb 0.12 -1.12 -0.02 0.00 -0.00 0.00 0.00 43.42 42.40 1zza n LEU 38 CO 0.79 -0.04 -0.21 -1.14 -0.00 0.00 0.00 177.39 176.80 1zza n ARG 39 N -2.33 -1.87 -4.04 1.47 0.63 0.62 -2.24 116.66 108.90 1zza n ARG 39 Ca -0.02 0.84 -0.29 0.00 -0.92 0.00 0.00 57.85 57.45 1zza n ARG 39 Cb 0.45 -5.42 -0.02 0.00 0.45 0.00 0.00 32.46 27.91 1zza n ARG 39 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1zza n LEU 40 N -2.80 -2.09 -1.13 6.15 7.94 0.83 -4.86 117.00 121.05 1zza n LEU 40 Ca -0.19 -0.99 0.09 0.00 -1.11 0.00 0.00 56.01 53.81 1zza n LEU 40 Cb 0.64 -2.21 0.27 0.00 0.53 0.00 0.00 43.42 42.65 1zza n LEU 40 CO 0.23 0.39 0.73 1.67 -1.11 0.00 0.00 177.39 179.31 1zza n GLN 41 N -4.42 2.90 0.00 1.96 -0.06 -0.95 -4.96 117.38 111.85 1zza n GLN 41 Ca -0.16 -2.50 0.00 0.00 -2.00 0.00 0.00 57.00 52.34 1zza n GLN 41 Cb 0.61 -1.51 0.00 0.00 -4.06 0.00 0.00 30.24 25.28 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 1.17 0.00 -0.35 3.69 3.00 -1.26 -4.99 116.66 117.92 1zza n ARG 42 Ca 0.20 0.00 0.25 0.00 -0.00 0.00 0.00 57.85 58.31 1zza n ARG 42 Cb 0.60 0.00 0.53 0.00 0.00 0.00 0.00 32.46 33.58 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 0.44 0.00 5.15 3.07 -2.00 -3.44 117.51 120.73 1zza h ILE 43 Ca 0.00 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.29 1zza h ILE 43 Cb 0.00 0.07 0.00 0.00 -0.27 0.00 0.00 36.82 36.62 1zza h ILE 43 CO 0.00 0.06 0.00 -0.24 -1.05 0.00 0.00 178.15 176.92 1zza n SER 44 N -4.67 0.00 -4.55 2.16 2.88 -1.26 -4.79 113.62 103.39 1zza n SER 44 Ca 0.28 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.47 1zza n SER 44 Cb 0.98 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.40 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 2.64 0.00 -1.46 -0.21 -1.26 -4.76 119.66 114.61 1zza s GLN 45 Ca 0.00 0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.66 1zza s GLN 45 Cb 0.00 -4.60 0.00 0.00 1.00 0.00 0.00 33.01 29.41 1zza s GLN 45 CO 0.00 -2.89 0.00 0.45 -2.12 0.00 0.00 175.29 170.73 1zza n SER 46 N 12.92 0.00 -4.89 5.90 2.88 -1.26 -5.04 113.62 124.12 1zza n SER 46 Ca 0.26 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.51 1zza n SER 46 Cb 0.50 -0.01 0.02 0.00 -0.75 0.00 0.00 64.21 63.97 1zza n SER 46 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1zza s GLU 47 N -0.04 3.27 0.30 -1.46 8.01 -1.26 -4.86 118.70 122.66 1zza s GLU 47 Ca 0.00 0.38 0.00 0.00 0.01 0.00 0.00 54.97 55.36 1zza s GLU 47 Cb 0.00 -2.18 0.00 0.00 -4.31 0.00 0.00 34.13 27.64 1zza s GLU 47 CO 0.00 -0.61 0.00 -0.25 0.01 0.00 0.00 175.26 174.41 1zza n ASP 48 N -2.65 -7.72 -4.37 -0.19 8.00 -1.26 -4.48 116.55 103.87 1zza n ASP 48 Ca 0.05 1.04 -0.33 0.00 0.71 0.00 0.00 54.79 56.25 1zza n ASP 48 Cb 0.56 -3.66 -0.14 0.00 -0.02 0.00 0.00 41.12 37.86 1zza n ASP 48 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1zza s GLU 49 N -2.64 3.40 -0.06 -1.24 -6.30 -1.26 -4.66 118.70 105.94 1zza s GLU 49 Ca 0.00 -0.67 0.19 0.00 -2.50 0.00 0.00 54.97 51.98 1zza s GLU 49 Cb 0.00 -2.67 0.37 0.00 0.00 0.00 0.00 34.13 31.83 1zza s GLU 49 CO 0.00 0.19 1.16 -0.85 0.02 0.00 0.00 175.26 175.78 1zza n GLU 50 N 3.62 0.47 0.00 4.30 0.28 -1.26 -2.81 120.64 125.23 1zza n GLU 50 Ca -0.18 -2.24 0.00 0.00 -0.16 0.00 0.00 57.16 54.58 1zza n GLU 50 Cb 0.53 -0.55 0.00 0.00 1.43 0.00 0.00 31.44 32.84 1zza n GLU 50 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1zza n SER 51 N -0.08 0.12 -0.07 -1.84 3.41 -1.26 -4.71 113.62 109.19 1zza n SER 51 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 1zza n SER 51 Cb 0.95 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.82 1zza n SER 51 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1zza h ILE 52 N 0.00 0.91 0.00 -1.33 1.08 -2.01 -3.43 117.51 112.73 1zza h ILE 52 Ca 0.00 -1.81 -0.14 0.00 -0.39 0.00 0.00 64.86 62.52 1zza h ILE 52 Cb 0.34 1.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 1zza h ILE 52 CO 0.00 0.31 -1.53 0.55 -0.69 0.00 0.00 178.15 176.79 1zza n VAL 53 N -4.60 0.53 0.00 1.67 3.14 -1.26 -5.02 118.33 112.79 1zza n VAL 53 Ca -0.13 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1zza n VAL 53 Cb 0.39 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.35 1zza n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1zza n GLY 54 N 2.84 1.35 1.59 7.55 0.00 -1.12 -4.75 105.19 112.64 1zza n GLY 54 Ca -0.15 0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 2.76 2.56 0.00 1.61 -0.08 -1.26 -4.57 116.55 117.57 1zza n ASP 55 Ca 0.00 -1.98 0.00 0.00 -1.51 0.00 0.00 54.79 51.30 1zza n ASP 55 Cb 0.00 0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.63 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 2.28 2.52 0.00 0.27 0.00 -1.26 -4.73 105.19 104.27 1zza n GLY 56 Ca -0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1zza n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zza n GLU 57 N 0.00 0.05 -1.08 1.61 -0.58 -1.26 -4.86 120.64 114.52 1zza n GLU 57 Ca 0.00 -0.26 -0.32 0.00 -0.42 0.00 0.00 57.16 56.16 1zza n GLU 57 Cb 0.00 -0.73 -0.03 0.00 -0.57 0.00 0.00 31.44 30.12 1zza n GLU 57 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1zza n THR 58 N -0.08 3.55 -2.09 2.62 -2.24 -1.26 -4.93 114.28 109.86 1zza n THR 58 Ca 0.00 -2.12 -0.41 0.00 -2.27 0.00 0.00 64.05 59.25 1zza n THR 58 Cb 0.09 -2.42 -0.03 0.00 -2.10 0.00 0.00 70.33 65.87 1zza n THR 58 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1zza s LYS 59 N 2.67 4.32 -1.21 -0.78 3.01 -1.26 -3.31 119.74 123.18 1zza s LYS 59 Ca 0.58 2.21 -0.23 0.00 -1.01 0.00 0.00 55.97 57.51 1zza s LYS 59 Cb 0.15 -3.13 0.01 0.00 -1.01 0.00 0.00 37.83 33.85 1zza s LYS 59 CO -0.05 -0.34 0.69 0.39 0.51 0.00 0.00 175.35 176.55 1zza n GLU 60 N 2.27 -1.04 -1.56 1.68 4.71 -1.26 -4.92 120.64 120.52 1zza n GLU 60 Ca 0.06 0.29 -0.31 0.00 -0.01 0.00 0.00 57.16 57.19 1zza n GLU 60 Cb 0.41 -3.54 0.05 0.00 -1.01 0.00 0.00 31.44 27.35 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 -6.63 2.87 0.11 3.49 0.04 -1.21 -5.01 135.00 128.65 1zza s PRO 61 Ca 0.42 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1zza s PRO 61 Cb -0.19 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1zza s PRO 61 CO 0.91 -1.15 0.00 0.34 0.04 0.00 0.00 177.00 177.14 1zza n PHE 62 N -3.09 -0.61 0.15 0.56 7.35 -1.26 -4.67 117.46 115.89 1zza n PHE 62 Ca 0.08 0.11 0.05 0.00 -0.76 0.00 0.00 57.45 56.93 1zza n PHE 62 Cb 0.53 0.21 0.51 0.00 0.35 0.00 0.00 39.48 41.08 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 0.18 0.10 -2.13 4.07 -1.95 -0.94 115.31 114.64 1zza h LEU 63 Ca 0.00 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.97 1zza h LEU 63 Cb 0.24 -0.05 -0.04 0.00 1.08 0.00 0.00 40.66 41.89 1zza h LEU 63 CO 0.00 0.21 -0.28 0.25 -1.08 0.00 0.00 178.44 177.54 1zza h LEU 64 N 0.20 -0.79 -1.24 1.67 6.46 -1.83 0.36 115.31 120.15 1zza h LEU 64 Ca 0.05 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1zza h LEU 64 Cb 0.11 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1zza h LEU 64 CO -0.00 -0.36 -0.16 0.58 -0.62 0.00 0.00 178.44 177.88 1zza h VAL 65 N -0.48 1.21 -0.08 1.05 2.07 -1.70 -0.38 116.25 117.94 1zza h VAL 65 Ca 0.03 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1zza h VAL 65 Cb 0.52 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1zza h VAL 65 CO -0.17 0.30 0.04 -0.61 0.02 0.00 0.00 177.57 177.14 1zza h GLN 66 N 0.31 0.08 0.24 1.57 -0.00 0.22 0.65 115.11 118.17 1zza h GLN 66 Ca 0.06 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 1zza h GLN 66 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1zza h GLN 66 CO 0.03 0.05 -0.11 1.88 0.00 0.00 0.00 178.83 180.68 1zza h TYR 67 N 0.08 -0.29 -0.95 3.99 0.05 0.03 0.34 116.97 120.22 1zza h TYR 67 Ca 0.03 -0.01 0.15 0.00 0.05 0.00 0.00 58.73 58.95 1zza h TYR 67 Cb 0.01 0.10 -0.08 0.00 1.01 0.00 0.00 36.73 37.76 1zza h TYR 67 CO -0.09 -0.10 0.60 0.77 -1.05 0.00 0.00 178.16 178.29 1zza h SER 68 N -0.43 0.75 0.18 3.88 0.02 -0.78 0.28 113.55 117.45 1zza h SER 68 Ca -0.03 0.05 -0.31 0.00 -0.84 0.00 0.00 61.79 60.66 1zza h SER 68 Cb 0.33 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.79 1zza h SER 68 CO 0.05 0.37 -1.46 0.00 -1.14 0.00 0.00 176.83 174.65 1zza h ALA 69 N 1.59 0.04 -0.23 3.77 0.00 0.58 -3.36 119.26 121.64 1zza h ALA 69 Ca 0.49 -0.99 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1zza h ALA 69 Cb 0.69 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1zza h ALA 69 CO -0.25 0.79 -0.05 0.87 0.00 0.00 0.00 179.25 180.62 1zza h LYS 70 N -0.05 0.44 -0.49 0.00 1.79 0.05 -1.19 116.57 117.12 1zza h LYS 70 Ca -0.28 -0.17 0.05 0.00 -2.18 0.00 0.00 60.65 58.07 1zza h LYS 70 Cb 1.97 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 32.52 1zza h LYS 70 CO 0.17 0.67 -0.42 0.78 -1.08 0.00 0.00 179.45 179.57 1zza h GLY 71 N 0.18 -1.30 0.92 3.86 0.00 -0.62 1.08 103.07 107.19 1zza h GLY 71 Ca 0.06 0.82 -0.07 0.00 0.00 0.00 0.00 47.33 48.14 1zza h GLY 71 CO 0.02 -0.26 -0.05 -0.56 0.00 0.00 0.00 176.54 175.69 1zza h PRO 72 N -0.16 0.65 -0.78 4.80 0.13 -1.71 0.22 132.00 135.14 1zza h PRO 72 Ca 0.08 -0.23 0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1zza h PRO 72 Cb 0.38 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.39 1zza h PRO 72 CO -0.55 0.79 0.42 0.00 -0.23 0.00 0.00 178.00 178.43 1zza h VAL 74 N 0.69 1.46 -0.91 0.00 2.07 0.13 -1.25 116.25 118.45 1zza h VAL 74 Ca 0.39 -1.72 0.12 0.00 0.82 0.00 0.00 66.70 66.31 1zza h VAL 74 Cb 0.41 2.45 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 1zza h VAL 74 CO -0.27 0.48 0.53 -0.08 0.02 0.00 0.00 177.57 178.25 1zza h GLU 75 N -0.32 0.81 -0.03 1.57 4.22 0.04 0.38 114.58 121.25 1zza h GLU 75 Ca -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1zza h GLU 75 Cb 0.91 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1zza h GLU 75 CO 0.05 0.53 -0.03 0.00 -2.18 0.00 0.00 179.01 177.38 1zza h ARG 76 N 0.83 0.08 0.00 1.92 -0.00 -0.26 -0.09 114.38 116.86 1zza h ARG 76 Ca 0.46 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.98 59.86 1zza h ARG 76 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.47 1zza h ARG 76 CO -0.29 0.55 -0.19 1.57 0.00 0.00 0.00 179.97 181.62 1zza h LYS 77 N -0.38 0.00 -0.02 0.04 5.09 -0.63 0.39 116.57 121.05 1zza h LYS 77 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.60 1zza h LYS 77 Cb 0.54 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.88 1zza h LYS 77 CO 0.01 0.19 -0.56 0.00 -2.09 0.00 0.00 179.45 177.00 1zza h ALA 78 N 1.81 0.09 -0.42 0.07 0.00 -0.17 -1.56 119.26 119.08 1zza h ALA 78 Ca -0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1zza h ALA 78 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1zza h ALA 78 CO 0.02 0.33 -0.26 0.87 0.00 0.00 0.00 179.25 180.21 1zza h LYS 79 N -0.10 0.93 -0.18 0.00 1.57 -0.68 0.19 116.57 118.30 1zza h LYS 79 Ca -0.06 -0.43 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1zza h LYS 79 Cb 1.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1zza h LYS 79 CO 0.11 1.09 0.05 1.25 -0.57 0.00 0.00 179.45 181.38 1zza h LEU 80 N 0.76 0.26 -0.00 2.94 5.85 -0.29 -1.44 115.31 123.38 1zza h LEU 80 Ca 0.09 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1zza h LEU 80 Cb 0.84 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1zza h LEU 80 CO 0.07 0.40 -0.00 -0.03 -0.34 0.00 0.00 178.44 178.54 1zza h MET 81 N 0.11 0.01 -3.22 1.25 4.05 -1.25 -3.38 114.93 112.50 1zza h MET 81 Ca 0.06 -0.01 -0.63 0.00 -0.28 0.00 0.00 59.70 58.84 1zza h MET 81 Cb 0.23 0.00 -0.41 0.00 -0.80 0.00 0.00 31.60 30.62 1zza h MET 81 CO -0.00 0.49 -0.61 0.95 0.23 0.00 0.00 176.91 177.97 1zza s THR 82 N -4.28 2.66 0.31 -0.77 -4.23 0.67 -4.94 115.64 105.06 1zza s THR 82 Ca -0.16 -3.71 0.10 0.00 -1.18 0.00 0.00 61.69 56.73 1zza s THR 82 Cb 0.02 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1zza s THR 82 CO 0.68 -0.90 1.70 1.55 -0.54 0.00 0.00 174.62 177.11 1zza h PRO 83 N 6.01 0.09 0.00 3.99 0.13 -1.45 -3.38 132.00 137.38 1zza h PRO 83 Ca 0.03 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1zza h PRO 83 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1zza h PRO 83 CO 0.69 0.55 0.00 -1.71 -0.23 0.00 0.00 178.00 177.30 1zza n ASN 84 N -3.96 0.00 0.00 1.44 5.15 -1.26 -3.70 115.26 112.92 1zza n ASN 84 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1zza n ASN 84 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1zza n GLY 85 N 0.00 -0.61 0.19 8.20 0.00 -1.26 -4.94 105.19 106.77 1zza n GLY 85 Ca 0.00 0.55 0.14 0.00 0.00 0.00 0.00 46.02 46.71 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 0.00 0.00 -0.69 1.61 0.13 -1.90 -3.21 132.00 127.94 1zza h PRO 86 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.29 1zza h PRO 86 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1zza h PRO 86 CO 0.00 0.00 0.47 0.93 -0.23 0.00 0.00 178.00 179.17 1zza h GLU 87 N 0.00 0.21 0.00 0.86 3.07 -1.93 -2.29 114.58 114.51 1zza h GLU 87 Ca 0.00 -0.01 -0.25 0.00 -0.50 0.00 0.00 59.36 58.60 1zza h GLU 87 Cb 0.56 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 1zza h GLU 87 CO 0.00 0.14 -2.19 1.55 -1.40 0.00 0.00 179.01 177.11 1zza n VAL 88 N -4.42 1.00 -2.27 3.13 3.14 -1.21 -4.55 118.33 113.14 1zza n VAL 88 Ca 0.13 -0.75 -0.40 0.00 -2.96 0.00 0.00 64.34 60.36 1zza n VAL 88 Cb 0.61 -0.37 0.01 0.00 -1.06 0.00 0.00 33.84 33.02 1zza n VAL 88 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1zza n HIS 89 N -2.63 2.67 -1.64 1.45 -0.00 -0.86 -5.07 115.22 109.13 1zza n HIS 89 Ca -0.23 -2.71 0.00 0.00 -0.00 0.00 0.00 57.72 54.78 1zza n HIS 89 Cb 0.97 -1.57 0.00 0.00 -0.00 0.00 0.00 29.99 29.39 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75