#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fzu h ASP 3 N 4.87 0.00 -3.58 0.00 3.32 -1.31 -3.45 116.42 116.27 1fzu h ASP 3 Ca -0.49 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.31 1fzu h ASP 3 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.46 1fzu h ASP 3 CO 0.64 0.89 -0.64 -0.31 -1.72 0.00 0.00 179.24 178.10 1fzu s TYR 4 N -2.75 -0.08 -0.18 4.55 2.02 -0.57 -4.98 117.35 115.35 1fzu s TYR 4 Ca 0.00 0.29 0.01 0.00 -0.37 0.00 0.00 57.07 57.00 1fzu s TYR 4 Cb 0.09 -0.08 0.03 0.00 -0.40 0.00 0.00 41.96 41.61 1fzu s TYR 4 CO 0.81 -0.10 -0.13 0.99 -1.57 0.00 0.00 175.55 175.55 1fzu s THR 5 N 0.72 1.71 -0.49 -0.71 2.01 -1.26 -0.80 115.64 116.81 1fzu s THR 5 Ca -0.06 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1fzu s THR 5 Cb -0.08 -1.70 0.13 0.00 0.01 0.00 0.00 72.50 70.87 1fzu s THR 5 CO -0.03 0.29 0.31 0.00 -0.69 0.00 0.00 174.62 174.50 1fzu n GLY 7 N 4.23 2.71 0.29 0.00 0.00 -1.26 -1.10 105.19 110.06 1fzu n GLY 7 Ca 0.01 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1fzu n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fzu n SER 8 N 9.84 1.44 -4.72 1.61 7.64 -1.26 -4.94 113.62 123.23 1fzu n SER 8 Ca 0.00 -1.14 -0.41 0.00 1.01 0.00 0.00 58.87 58.33 1fzu n SER 8 Cb 0.00 0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 1fzu n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1fzu s ASN 9 N -2.65 7.22 -0.24 6.43 0.01 -0.26 -5.05 114.94 120.41 1fzu s ASN 9 Ca 0.17 1.47 -0.06 0.00 -0.71 0.00 0.00 52.86 53.72 1fzu s ASN 9 Cb 0.18 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 1fzu s ASN 9 CO 0.64 -0.15 0.04 0.00 -1.51 0.00 0.00 177.10 176.12 1fzu s TYR 11 N 1.47 1.95 0.43 0.00 2.02 0.02 -5.02 117.35 118.21 1fzu s TYR 11 Ca 0.05 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.45 1fzu s TYR 11 Cb -0.15 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1fzu s TYR 11 CO 0.02 0.02 0.58 -1.54 -1.57 0.00 0.00 175.55 173.06 1fzu s SER 12 N -0.78 5.65 0.37 2.29 1.04 -1.26 -0.79 113.70 120.21 1fzu s SER 12 Ca 0.08 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.22 1fzu s SER 12 Cb -0.09 -0.74 0.72 0.00 0.10 0.00 0.00 66.02 66.01 1fzu s SER 12 CO 0.00 -0.77 1.97 0.28 0.98 0.00 0.00 173.24 175.71 1fzu h SER 13 N 0.60 0.52 -0.27 7.02 0.02 -1.98 -2.18 113.55 117.29 1fzu h SER 13 Ca -0.41 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 1fzu h SER 13 Cb 1.28 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1fzu h SER 13 CO 0.47 0.46 -0.01 0.77 -1.14 0.00 0.00 176.83 177.38 1fzu h SER 14 N 0.58 0.56 -0.14 3.07 4.64 -1.98 0.27 113.55 120.55 1fzu h SER 14 Ca 0.14 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1fzu h SER 14 Cb 0.10 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1fzu h SER 14 CO -0.02 0.64 0.08 0.44 -0.87 0.00 0.00 176.83 177.10 1fzu h ASP 15 N 0.56 0.17 -0.47 4.97 3.32 -1.78 -1.20 116.42 121.99 1fzu h ASP 15 Ca 0.12 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1fzu h ASP 15 Cb 0.37 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1fzu h ASP 15 CO 0.01 0.19 0.09 0.58 -1.72 0.00 0.00 179.24 178.39 1fzu h VAL 16 N 0.13 1.24 -0.64 -1.35 2.07 -1.28 -1.84 116.25 114.59 1fzu h VAL 16 Ca 0.05 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1fzu h VAL 16 Cb 0.05 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1fzu h VAL 16 CO -0.01 0.31 0.36 0.28 0.02 0.00 0.00 177.57 178.54 1fzu h SER 17 N 0.63 0.79 -0.48 0.57 0.02 -0.84 0.11 113.55 114.35 1fzu h SER 17 Ca 0.14 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 1fzu h SER 17 Cb 0.36 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1fzu h SER 17 CO 0.01 0.64 0.12 0.74 -1.14 0.00 0.00 176.83 177.19 1fzu h THR 18 N 0.87 1.24 -0.25 -2.27 2.02 -1.11 -0.94 112.91 112.47 1fzu h THR 18 Ca 0.23 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1fzu h THR 18 Cb 0.02 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1fzu h THR 18 CO -0.04 0.30 0.01 0.00 0.37 0.00 0.00 175.52 176.15 1fzu h ALA 19 N 0.98 0.34 -0.66 6.16 0.00 -1.07 -2.88 119.26 122.14 1fzu h ALA 19 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fzu h ALA 19 Cb 0.33 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1fzu h ALA 19 CO 0.00 0.06 0.41 0.37 0.00 0.00 0.00 179.25 180.10 1fzu h GLN 20 N 0.22 0.88 -0.95 0.00 4.15 -0.71 -1.60 115.11 117.11 1fzu h GLN 20 Ca 0.07 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1fzu h GLN 20 Cb 0.40 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 1fzu h GLN 20 CO 0.01 0.61 0.62 0.00 -1.93 0.00 0.00 178.83 178.14 1fzu h ALA 21 N 1.22 1.23 -0.24 3.38 0.00 -1.12 0.28 119.26 124.01 1fzu h ALA 21 Ca 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1fzu h ALA 21 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1fzu h ALA 21 CO -0.05 0.55 -0.12 0.00 0.00 0.00 0.00 179.25 179.63 1fzu h ALA 22 N 1.37 0.34 -0.49 0.00 0.00 -1.25 -2.08 119.26 117.16 1fzu h ALA 22 Ca 0.36 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1fzu h ALA 22 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1fzu h ALA 22 CO -0.10 0.20 0.11 0.78 0.00 0.00 0.00 179.25 180.24 1fzu h GLY 23 N 0.22 0.84 1.14 0.00 0.00 -0.83 -2.54 103.07 101.90 1fzu h GLY 23 Ca 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1fzu h GLY 23 CO 0.04 0.50 0.22 -1.82 0.00 0.00 0.00 176.54 175.48 1fzu h TYR 24 N 0.66 1.11 -0.60 5.60 3.20 -0.47 -1.71 116.97 124.77 1fzu h TYR 24 Ca 0.15 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1fzu h TYR 24 Cb 0.35 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1fzu h TYR 24 CO 0.02 0.88 0.28 -0.22 -1.64 0.00 0.00 178.16 177.48 1fzu h LYS 25 N 1.04 0.86 -0.63 1.82 3.64 -1.21 -0.55 116.57 121.53 1fzu h LYS 25 Ca 0.23 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1fzu h LYS 25 Cb 0.29 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1fzu h LYS 25 CO -0.01 0.70 0.20 -0.07 -2.27 0.00 0.00 179.45 178.00 1fzu h LEU 26 N 0.81 0.92 -0.48 5.20 3.38 -1.24 -1.89 115.31 122.01 1fzu h LEU 26 Ca 0.20 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1fzu h LEU 26 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1fzu h LEU 26 CO -0.02 0.88 0.30 -0.74 0.09 0.00 0.00 178.44 178.94 1fzu h HIS 27 N 0.91 0.56 -0.30 1.13 2.76 -0.91 0.12 115.15 119.42 1fzu h HIS 27 Ca 0.20 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 1fzu h HIS 27 Cb 0.29 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 1fzu h HIS 27 CO 0.02 0.33 -0.12 0.93 -1.30 0.00 0.00 177.93 177.79 1fzu h GLU 28 N 0.60 0.50 -0.01 5.26 4.39 -0.88 -2.23 114.58 122.21 1fzu h GLU 28 Ca 0.19 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1fzu h GLU 28 Cb -0.02 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1fzu h GLU 28 CO -0.07 0.62 -0.01 -0.25 -1.16 0.00 0.00 179.01 178.15 1fzu n ASP 29 N -4.20 0.95 -2.85 1.42 8.00 -0.73 -4.93 116.55 114.20 1fzu n ASP 29 Ca 0.01 -1.29 -0.19 0.00 0.71 0.00 0.00 54.79 54.02 1fzu n ASP 29 Cb 0.32 -0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.48 1fzu n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fzu n GLY 30 N 1.12 -0.28 3.41 0.44 0.00 -0.43 -5.03 105.19 104.43 1fzu n GLY 30 Ca 0.20 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1fzu n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fzu s GLU 31 N -5.88 1.48 0.09 1.61 1.03 -0.10 -5.03 118.70 111.90 1fzu s GLU 31 Ca 0.40 -1.54 0.02 0.00 0.03 0.00 0.00 54.97 53.88 1fzu s GLU 31 Cb -0.18 -1.69 -0.04 0.00 -0.80 0.00 0.00 34.13 31.42 1fzu s GLU 31 CO 0.50 0.35 -0.07 0.95 -1.33 0.00 0.00 175.26 175.66 1fzu s THR 32 N -1.93 0.66 0.06 1.83 -4.23 -1.26 -4.28 115.64 106.50 1fzu s THR 32 Ca 0.21 -1.83 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1fzu s THR 32 Cb -0.07 -1.55 -0.03 0.00 1.34 0.00 0.00 72.50 72.19 1fzu s THR 32 CO 0.10 -0.82 -0.09 0.68 -0.54 0.00 0.00 174.62 173.95 1fzu s VAL 33 N -3.36 0.72 0.00 2.29 -7.23 0.82 -4.89 120.40 108.75 1fzu s VAL 33 Ca 0.09 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1fzu s VAL 33 Cb 0.04 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1fzu s VAL 33 CO -0.04 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 1fzu n GLY 34 N 1.14 -1.09 0.27 2.32 0.00 -1.26 -1.08 105.19 105.49 1fzu n GLY 34 Ca -0.20 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.43 1fzu n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fzu h SER 35 N 0.00 0.00 -0.22 1.61 4.64 -1.87 -1.13 113.55 116.58 1fzu h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fzu h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fzu h SER 35 CO 0.00 0.09 0.00 0.59 -0.87 0.00 0.00 176.83 176.64 1fzu n ASN 36 N -3.56 1.96 -3.30 4.97 3.02 -1.26 -4.99 115.26 112.09 1fzu n ASN 36 Ca -0.02 -1.78 -0.10 0.00 -0.03 0.00 0.00 54.58 52.66 1fzu n ASN 36 Cb 0.22 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1fzu n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1fzu n SER 37 N 0.52 -6.77 -4.89 6.41 7.64 -0.43 -4.93 113.62 111.18 1fzu n SER 37 Ca 0.16 -0.34 -0.35 0.00 1.01 0.00 0.00 58.87 59.36 1fzu n SER 37 Cb 0.37 -4.01 -0.05 0.00 -1.01 0.00 0.00 64.21 59.51 1fzu n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1fzu s TYR 38 N -2.93 3.58 0.41 1.43 2.02 -0.24 -3.80 117.35 117.81 1fzu s TYR 38 Ca 0.02 0.52 -0.15 0.00 -0.37 0.00 0.00 57.07 57.10 1fzu s TYR 38 Cb -0.00 -1.95 -0.08 0.00 -0.40 0.00 0.00 41.96 39.53 1fzu s TYR 38 CO 0.80 0.65 0.84 -1.25 -1.57 0.00 0.00 175.55 175.02 1fzu s PRO 39 N -1.64 3.94 0.10 -1.71 0.04 -1.26 -0.13 135.00 134.34 1fzu s PRO 39 Ca 0.25 0.73 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 1fzu s PRO 39 Cb -0.13 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1fzu s PRO 39 CO 0.14 -0.04 0.07 -3.38 0.04 0.00 0.00 177.00 173.84 1fzu s HIS 40 N -2.30 0.58 0.31 0.56 -3.43 -1.15 -4.92 115.29 104.94 1fzu s HIS 40 Ca 0.55 -1.02 -0.29 0.00 -0.80 0.00 0.00 55.06 53.50 1fzu s HIS 40 Cb -0.10 -0.33 -0.13 0.00 -1.43 0.00 0.00 32.58 30.59 1fzu s HIS 40 CO 0.25 -0.50 1.34 1.17 -2.00 0.00 0.00 174.74 175.00 1fzu n LYS 41 N -0.03 2.14 -3.86 -0.38 4.81 -1.26 -0.84 118.16 118.74 1fzu n LYS 41 Ca -0.10 0.75 -0.36 0.00 -0.87 0.00 0.00 58.31 57.74 1fzu n LYS 41 Cb 0.62 -2.37 -0.13 0.00 0.02 0.00 0.00 35.03 33.17 1fzu n LYS 41 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1fzu s TYR 42 N -0.77 3.05 -0.80 5.64 5.04 0.33 -4.68 117.35 125.15 1fzu s TYR 42 Ca 0.59 -1.00 0.27 0.00 -2.44 0.00 0.00 57.07 54.49 1fzu s TYR 42 Cb -0.58 -2.15 0.89 0.00 0.35 0.00 0.00 41.96 40.46 1fzu s TYR 42 CO 0.58 -0.57 1.78 0.09 -1.34 0.00 0.00 175.55 176.10 1fzu n ASN 43 N 4.81 0.58 -3.35 4.32 5.03 -1.26 -4.25 115.26 121.14 1fzu n ASN 43 Ca -0.17 0.51 -0.18 0.00 0.87 0.00 0.00 54.58 55.61 1fzu n ASN 43 Cb 0.49 -0.63 0.08 0.00 -1.02 0.00 0.00 39.78 38.71 1fzu n ASN 43 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1fzu n ASN 44 N -2.03 -3.08 0.14 6.41 5.15 -1.26 -4.90 115.26 115.69 1fzu n ASN 44 Ca 0.06 -0.57 0.05 0.00 -0.60 0.00 0.00 54.58 53.52 1fzu n ASN 44 Cb 0.40 -4.89 0.49 0.00 -0.53 0.00 0.00 39.78 35.26 1fzu n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1fzu h TYR 45 N -2.01 0.23 0.00 1.20 0.05 -2.00 -2.11 116.97 112.33 1fzu h TYR 45 Ca -0.56 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.19 1fzu h TYR 45 Cb 1.33 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.99 1fzu h TYR 45 CO 0.43 0.22 -0.16 0.93 -1.05 0.00 0.00 178.16 178.53 1fzu h GLU 46 N 0.24 0.00 -0.73 4.88 3.07 -1.94 -3.47 114.58 116.63 1fzu h GLU 46 Ca 0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1fzu h GLU 46 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1fzu h GLU 46 CO -0.00 0.16 -0.02 0.41 -1.40 0.00 0.00 179.01 178.15 1fzu n GLY 47 N -0.87 0.69 3.76 -3.84 0.00 -0.79 -5.03 105.19 99.11 1fzu n GLY 47 Ca -0.02 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1fzu n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fzu s PHE 48 N -2.62 2.52 -1.32 1.61 0.08 -1.26 -4.92 117.98 112.07 1fzu s PHE 48 Ca 0.01 1.50 -0.11 0.00 0.12 0.00 0.00 56.93 58.45 1fzu s PHE 48 Cb -0.00 -3.49 0.13 0.00 -0.57 0.00 0.00 43.02 39.09 1fzu s PHE 48 CO 0.01 -2.09 1.92 -0.25 -0.10 0.00 0.00 175.22 174.71 1fzu n ASP 49 N -1.18 4.81 -4.73 1.36 10.43 -1.26 -4.98 116.55 121.00 1fzu n ASP 49 Ca 0.11 -3.03 -0.42 0.00 2.57 0.00 0.00 54.79 54.03 1fzu n ASP 49 Cb 0.49 -1.54 -0.03 0.00 1.84 0.00 0.00 41.12 41.88 1fzu n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1fzu s PHE 50 N 1.27 3.30 -1.66 1.24 0.08 -1.26 -4.93 117.98 116.02 1fzu s PHE 50 Ca 0.42 1.20 0.28 0.00 0.12 0.00 0.00 56.93 58.96 1fzu s PHE 50 Cb 0.09 -3.57 1.12 0.00 -0.57 0.00 0.00 43.02 40.09 1fzu s PHE 50 CO -0.02 -1.81 1.79 -1.13 -0.10 0.00 0.00 175.22 173.96 1fzu n SER 51 N 3.06 0.59 -4.66 1.36 3.41 -1.26 -4.87 113.62 111.25 1fzu n SER 51 Ca 0.07 -0.63 -0.23 0.00 -0.26 0.00 0.00 58.87 57.82 1fzu n SER 51 Cb 0.43 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1fzu n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1fzu s VAL 52 N -2.49 3.42 0.65 -3.33 -7.23 -1.26 -5.13 120.40 105.04 1fzu s VAL 52 Ca 0.28 -1.88 -0.13 0.00 -1.81 0.00 0.00 61.98 58.43 1fzu s VAL 52 Cb 0.20 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1fzu s VAL 52 CO 0.49 -0.35 1.06 -0.94 -0.31 0.00 0.00 175.10 175.04 1fzu s SER 53 N -3.69 5.55 0.72 4.85 1.04 -1.26 -5.06 113.70 115.85 1fzu s SER 53 Ca 0.32 1.71 -0.05 0.00 0.48 0.00 0.00 55.95 58.40 1fzu s SER 53 Cb -0.06 -2.51 0.09 0.00 0.10 0.00 0.00 66.02 63.64 1fzu s SER 53 CO 0.20 -1.32 1.02 -0.94 0.98 0.00 0.00 173.24 173.17 1fzu s SER 54 N -3.34 4.51 0.67 7.02 1.04 -1.26 -4.69 113.70 117.65 1fzu s SER 54 Ca 0.60 0.14 -0.15 0.00 0.48 0.00 0.00 55.95 57.03 1fzu s SER 54 Cb -0.15 -0.66 0.01 0.00 0.10 0.00 0.00 66.02 65.32 1fzu s SER 54 CO 0.47 -1.76 1.11 -2.16 0.98 0.00 0.00 173.24 171.87 1fzu s PRO 55 N -5.24 2.74 0.10 4.02 0.04 -1.26 -4.79 135.00 130.61 1fzu s PRO 55 Ca 0.63 1.37 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1fzu s PRO 55 Cb -0.08 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1fzu s PRO 55 CO 0.45 -1.29 -0.08 0.71 0.04 0.00 0.00 177.00 176.83 1fzu s TYR 56 N -2.39 2.80 0.00 0.56 2.02 -1.26 -3.08 117.35 115.99 1fzu s TYR 56 Ca 0.66 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 57.27 1fzu s TYR 56 Cb -0.20 -1.46 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1fzu s TYR 56 CO 0.43 0.44 -0.10 0.71 -1.57 0.00 0.00 175.55 175.46 1fzu s TYR 57 N -1.23 0.85 -0.05 2.71 2.02 0.30 -0.51 117.35 121.43 1fzu s TYR 57 Ca 0.22 -0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1fzu s TYR 57 Cb -0.11 -0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 1fzu s TYR 57 CO 0.15 -0.01 0.02 -1.83 -1.57 0.00 0.00 175.55 172.30 1fzu s GLU 58 N -0.42 2.94 -0.06 -0.62 -1.05 -0.02 -1.67 118.70 117.80 1fzu s GLU 58 Ca 0.02 -0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 54.34 1fzu s GLU 58 Cb -0.04 -2.77 0.03 0.00 -0.44 0.00 0.00 34.13 30.91 1fzu s GLU 58 CO -0.00 0.67 0.14 -0.46 0.95 0.00 0.00 175.26 176.56 1fzu s TRP 59 N -0.99 -0.15 0.28 4.83 -0.11 -0.43 -2.94 118.94 119.43 1fzu s TRP 59 Ca 0.16 0.44 -0.30 0.00 1.22 0.00 0.00 56.10 57.63 1fzu s TRP 59 Cb -0.11 -0.06 -0.10 0.00 -1.50 0.00 0.00 33.47 31.69 1fzu s TRP 59 CO 0.06 -0.14 1.43 -2.14 -4.62 0.00 0.00 176.95 171.55 1fzu s PRO 60 N 0.93 4.25 -0.14 5.86 0.02 -1.26 -0.11 135.00 144.54 1fzu s PRO 60 Ca -0.07 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.30 1fzu s PRO 60 Cb -0.09 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 1fzu s PRO 60 CO -0.05 -0.41 -0.17 -1.50 -0.33 0.00 0.00 177.00 174.55 1fzu s ILE 61 N -0.36 2.60 -0.07 2.83 2.07 -0.92 -4.54 121.20 122.82 1fzu s ILE 61 Ca 0.57 -0.80 -0.10 0.00 -1.41 0.00 0.00 60.65 58.90 1fzu s ILE 61 Cb -0.43 -2.08 -0.05 0.00 0.13 0.00 0.00 42.46 40.04 1fzu s ILE 61 CO 0.48 0.53 0.25 -0.76 -1.91 0.00 0.00 174.94 173.52 1fzu s LEU 62 N 0.66 4.42 0.59 8.50 1.43 -1.26 -4.43 118.68 128.58 1fzu s LEU 62 Ca -0.09 0.67 0.37 0.00 -1.03 0.00 0.00 54.13 54.05 1fzu s LEU 62 Cb -0.16 -2.28 1.72 0.00 0.03 0.00 0.00 46.19 45.50 1fzu s LEU 62 CO 0.02 0.37 2.12 0.77 0.23 0.00 0.00 176.35 179.87 1fzu h SER 63 N 4.88 0.00 0.96 2.29 4.64 -1.97 -2.41 113.55 121.93 1fzu h SER 63 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1fzu h SER 63 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1fzu h SER 63 CO 0.59 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 175.03 1fzu n SER 64 N -3.14 0.44 0.00 4.97 3.41 -1.26 -4.87 113.62 113.16 1fzu n SER 64 Ca -0.01 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1fzu n SER 64 Cb 0.23 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1fzu n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fzu n GLY 65 N 0.69 1.54 3.80 5.00 0.00 -0.91 -5.04 105.19 110.27 1fzu n GLY 65 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1fzu n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fzu s ASP 66 N -2.30 6.76 -0.01 1.61 1.01 -1.26 -4.99 116.67 117.50 1fzu s ASP 66 Ca 0.00 1.84 -0.27 0.00 0.71 0.00 0.00 52.55 54.83 1fzu s ASP 66 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1fzu s ASP 66 CO 0.00 -0.48 0.87 -0.69 0.21 0.00 0.00 175.17 175.08 1fzu s VAL 67 N -1.96 4.90 0.20 -1.27 1.01 -1.26 -4.15 120.40 117.87 1fzu s VAL 67 Ca 0.62 1.83 -0.32 0.00 0.00 0.00 0.00 61.98 64.10 1fzu s VAL 67 Cb -0.15 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 31.88 1fzu s VAL 67 CO 0.19 0.21 1.46 0.00 0.00 0.00 0.00 175.10 176.96 1fzu n TYR 68 N 3.72 2.16 -0.69 5.22 9.36 -1.26 -4.91 117.16 130.75 1fzu n TYR 68 Ca 0.03 0.39 0.00 0.00 3.32 0.00 0.00 57.90 61.64 1fzu n TYR 68 Cb 0.51 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 1fzu n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1fzu n SER 69 N 2.62 0.62 0.00 2.98 3.41 -1.26 -5.02 113.62 116.97 1fzu n SER 69 Ca 0.14 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1fzu n SER 69 Cb 0.30 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1fzu n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fzu n GLY 70 N -0.16 0.67 0.00 5.00 0.00 -1.26 -4.68 105.19 104.77 1fzu n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fzu n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fzu n GLY 71 N 0.00 1.15 3.69 -0.02 0.00 -1.26 -4.20 105.19 104.55 1fzu n GLY 71 Ca 0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1fzu n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fzu s SER 72 N -1.00 6.85 0.34 1.61 0.15 -1.26 -4.80 113.70 115.59 1fzu s SER 72 Ca 0.00 2.13 0.27 0.00 0.70 0.00 0.00 55.95 59.05 1fzu s SER 72 Cb 0.00 -2.56 0.96 0.00 -1.71 0.00 0.00 66.02 62.70 1fzu s SER 72 CO 0.00 -0.71 1.78 1.55 1.20 0.00 0.00 173.24 177.06 1fzu h PRO 73 N 7.72 0.00 0.00 5.44 0.13 -1.99 -3.50 132.00 139.80 1fzu h PRO 73 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1fzu h PRO 73 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1fzu h PRO 73 CO 0.90 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 1fzu n GLY 74 N 0.45 -1.23 0.01 1.56 0.00 -1.26 -4.51 105.19 100.20 1fzu n GLY 74 Ca 0.03 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 44.91 1fzu n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fzu n ALA 75 N 1.32 3.03 -2.66 4.61 0.00 -1.26 -4.99 120.51 120.56 1fzu n ALA 75 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 1fzu n ALA 75 Cb 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 1fzu n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fzu s ASP 76 N -4.10 6.59 0.02 0.00 1.01 -1.26 -1.31 116.67 117.61 1fzu s ASP 76 Ca -0.05 0.70 0.01 0.00 0.71 0.00 0.00 52.55 53.92 1fzu s ASP 76 Cb 0.13 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 1fzu s ASP 76 CO 0.84 0.24 -0.04 -0.13 0.21 0.00 0.00 175.17 176.28 1fzu s ARG 77 N -1.70 0.34 -0.15 8.23 1.81 0.23 -2.16 118.95 125.55 1fzu s ARG 77 Ca 0.29 -0.46 -0.06 0.00 -1.72 0.00 0.00 55.73 53.78 1fzu s ARG 77 Cb -0.14 -0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.19 1fzu s ARG 77 CO 0.16 0.02 0.05 0.00 -0.68 0.00 0.00 175.30 174.85 1fzu s ALA 78 N -0.91 3.42 -0.19 2.13 0.00 0.84 -1.26 121.76 125.79 1fzu s ALA 78 Ca -0.08 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1fzu s ALA 78 Cb -0.07 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.25 1fzu s ALA 78 CO -0.00 0.34 -0.09 0.08 0.00 0.00 0.00 175.76 176.08 1fzu s VAL 79 N -0.11 3.02 0.21 0.00 1.01 0.16 -1.31 120.40 123.38 1fzu s VAL 79 Ca 0.06 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1fzu s VAL 79 Cb -0.12 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1fzu s VAL 79 CO 0.01 0.47 -0.08 0.72 0.00 0.00 0.00 175.10 176.22 1fzu s PHE 80 N 1.21 1.63 0.15 5.22 -0.12 -0.67 0.16 117.98 125.55 1fzu s PHE 80 Ca 0.02 -0.72 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 1fzu s PHE 80 Cb -0.14 -0.86 0.02 0.00 -0.63 0.00 0.00 43.02 41.41 1fzu s PHE 80 CO -0.04 0.19 0.13 0.27 -0.05 0.00 0.00 175.22 175.72 1fzu n ASN 81 N -0.39 1.30 0.29 1.98 0.23 -0.51 -0.54 115.26 117.62 1fzu n ASN 81 Ca -0.07 -1.49 0.16 0.00 -0.53 0.00 0.00 54.58 52.65 1fzu n ASN 81 Cb 0.62 -0.03 0.89 0.00 -2.08 0.00 0.00 39.78 39.18 1fzu n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1fzu h GLU 82 N 0.00 0.00 -0.64 -3.83 4.57 -1.82 -2.31 114.58 110.55 1fzu h GLU 82 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1fzu h GLU 82 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1fzu h GLU 82 CO 0.14 0.05 0.00 0.09 -1.18 0.00 0.00 179.01 178.11 1fzu n ASN 83 N -3.53 4.56 -2.44 1.04 5.03 -1.26 -4.92 115.26 113.74 1fzu n ASN 83 Ca -0.02 -2.49 -0.19 0.00 0.87 0.00 0.00 54.58 52.75 1fzu n ASN 83 Cb 0.16 -0.58 0.02 0.00 -1.02 0.00 0.00 39.78 38.37 1fzu n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1fzu n ASN 84 N 0.93 -5.39 -4.83 6.41 4.05 -0.87 -5.01 115.26 110.56 1fzu n ASN 84 Ca 0.24 -0.18 -0.36 0.00 0.45 0.00 0.00 54.58 54.72 1fzu n ASN 84 Cb 0.88 -4.29 -0.07 0.00 1.23 0.00 0.00 39.78 37.53 1fzu n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1fzu s GLN 85 N -5.35 3.49 -0.14 1.20 -0.21 -1.26 -4.90 119.66 112.49 1fzu s GLN 85 Ca 0.19 -0.18 -0.29 0.00 0.02 0.00 0.00 55.36 55.10 1fzu s GLN 85 Cb -0.08 -3.17 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 1fzu s GLN 85 CO 0.23 0.70 1.20 -1.17 -2.12 0.00 0.00 175.29 174.13 1fzu s LEU 86 N -0.81 4.20 -0.07 2.90 2.96 -1.26 -1.42 118.68 125.18 1fzu s LEU 86 Ca 0.14 1.68 -0.09 0.00 -0.22 0.00 0.00 54.13 55.64 1fzu s LEU 86 Cb -0.12 -3.55 -0.29 0.00 0.50 0.00 0.00 46.19 42.74 1fzu s LEU 86 CO 0.03 -0.67 0.57 0.00 -1.32 0.00 0.00 176.35 174.96 1fzu h ALA 87 N 7.79 0.28 0.00 5.97 0.00 -0.62 -3.47 119.26 129.21 1fzu h ALA 87 Ca -0.28 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.39 1fzu h ALA 87 Cb 1.12 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1fzu h ALA 87 CO 0.94 1.15 0.00 0.41 0.00 0.00 0.00 179.25 181.74 1fzu n GLY 88 N 1.90 -0.01 3.07 0.00 0.00 -1.05 -4.68 105.19 104.42 1fzu n GLY 88 Ca -0.27 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1fzu n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fzu s VAL 89 N -2.00 1.74 0.32 1.61 1.01 -1.26 -0.66 120.40 121.16 1fzu s VAL 89 Ca 0.00 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1fzu s VAL 89 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1fzu s VAL 89 CO 0.00 0.49 0.02 0.27 0.00 0.00 0.00 175.10 175.88 1fzu s ILE 90 N 1.23 1.40 0.01 2.22 -4.36 -0.39 -1.25 121.20 120.06 1fzu s ILE 90 Ca 0.01 -2.03 -0.20 0.00 -0.26 0.00 0.00 60.65 58.16 1fzu s ILE 90 Cb -0.14 -2.71 0.04 0.00 1.25 0.00 0.00 42.46 40.90 1fzu s ILE 90 CO -0.08 -0.09 0.45 0.28 0.24 0.00 0.00 174.94 175.73 1fzu s THR 91 N -3.16 0.04 -0.48 8.37 -1.32 0.05 -0.60 115.64 118.55 1fzu s THR 91 Ca 0.34 -0.36 0.24 0.00 -1.21 0.00 0.00 61.69 60.70 1fzu s THR 91 Cb 0.07 -0.88 0.24 0.00 -1.51 0.00 0.00 72.50 70.43 1fzu s THR 91 CO 0.15 -0.20 1.51 0.45 -2.21 0.00 0.00 174.62 174.32 1fzu h HIS 92 N 3.19 0.00 -2.62 9.09 3.86 -1.40 -0.20 115.15 127.07 1fzu h HIS 92 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 1fzu h HIS 92 Cb 1.19 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.70 1fzu h HIS 92 CO 0.43 0.00 1.04 0.99 0.86 0.00 0.00 177.93 181.25 1fzu s THR 93 N -3.21 2.54 0.00 2.45 2.01 -1.26 -1.68 115.64 116.48 1fzu s THR 93 Ca 0.06 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1fzu s THR 93 Cb 0.08 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1fzu s THR 93 CO 0.68 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1fzu n GLY 94 N 4.08 0.68 3.40 4.40 0.00 -1.26 -4.77 105.19 111.72 1fzu n GLY 94 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1fzu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fzu s ALA 95 N -2.58 2.42 0.39 4.61 0.00 -0.68 -4.98 121.76 120.94 1fzu s ALA 95 Ca 0.00 -1.48 -0.24 0.00 0.00 0.00 0.00 51.96 50.23 1fzu s ALA 95 Cb 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 1fzu s ALA 95 CO 0.00 0.53 1.06 -1.12 0.00 0.00 0.00 175.76 176.23 1fzu s SER 96 N -2.14 6.77 0.55 0.00 0.01 -1.26 -4.78 113.70 112.85 1fzu s SER 96 Ca 0.15 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.48 1fzu s SER 96 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1fzu s SER 96 CO 0.07 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1fzu n GLY 97 N 0.40 2.80 1.85 3.44 0.00 -1.26 -0.93 105.19 111.50 1fzu n GLY 97 Ca 0.05 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1fzu n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fzu n ASN 98 N 2.99 5.60 -4.82 1.61 5.15 -1.26 -4.97 115.26 119.56 1fzu n ASN 98 Ca 0.00 -2.88 -0.30 0.00 -0.60 0.00 0.00 54.58 50.80 1fzu n ASN 98 Cb 0.00 -0.68 0.09 0.00 -0.53 0.00 0.00 39.78 38.67 1fzu n ASN 98 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1fzu s ASN 99 N -0.77 4.43 0.15 1.20 0.01 -0.10 -5.03 114.94 114.83 1fzu s ASN 99 Ca 0.53 1.18 0.09 0.00 -0.71 0.00 0.00 52.86 53.95 1fzu s ASN 99 Cb 0.40 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 1fzu s ASN 99 CO 0.16 -1.99 -0.20 -0.36 -1.51 0.00 0.00 177.10 173.20 1fzu s PHE 100 N -3.24 1.86 0.11 2.20 0.08 -1.26 -4.37 117.98 113.36 1fzu s PHE 100 Ca 0.61 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 57.26 1fzu s PHE 100 Cb -0.14 -0.95 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1fzu s PHE 100 CO 0.53 0.31 -0.11 0.14 -0.10 0.00 0.00 175.22 176.00 1fzu s VAL 101 N -1.77 1.06 0.43 -0.44 -7.23 -0.09 -4.94 120.40 107.43 1fzu s VAL 101 Ca 0.14 -1.71 -0.22 0.00 -1.81 0.00 0.00 61.98 58.37 1fzu s VAL 101 Cb -0.07 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.31 1fzu s VAL 101 CO 0.06 -0.55 0.99 -1.61 -0.31 0.00 0.00 175.10 173.68 1fzu s GLU 102 N -2.89 4.12 0.31 4.82 2.02 -1.26 -0.77 118.70 125.05 1fzu s GLU 102 Ca 0.08 1.28 -0.23 0.00 0.02 0.00 0.00 54.97 56.12 1fzu s GLU 102 Cb -0.03 -2.28 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 1fzu s GLU 102 CO 0.01 -0.14 0.86 0.00 0.02 0.00 0.00 175.26 176.01