#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fdr h GLN 6 N 0.00 0.99 -0.19 1.47 4.20 -2.06 -1.99 115.11 117.53 3fdr h GLN 6 Ca 0.00 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 3fdr h GLN 6 Cb 0.00 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3fdr h GLN 6 CO 0.00 0.85 -0.02 1.25 -0.67 0.00 0.00 178.83 180.24 3fdr h LEU 7 N 0.92 0.35 -1.28 1.46 5.85 -1.99 -1.43 115.31 119.19 3fdr h LEU 7 Ca 0.21 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3fdr h LEU 7 Cb 0.25 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3fdr h LEU 7 CO -0.01 0.60 0.50 0.44 -0.34 0.00 0.00 178.44 179.63 3fdr h ASP 8 N 0.09 0.81 -0.31 1.25 3.32 -1.98 0.04 116.42 119.64 3fdr h ASP 8 Ca 0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fdr h ASP 8 Cb 0.44 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3fdr h ASP 8 CO 0.01 0.56 0.18 0.50 -1.72 0.00 0.00 179.24 178.77 3fdr h LYS 9 N 0.94 0.42 -0.32 3.56 1.63 -1.03 -0.87 116.57 120.90 3fdr h LYS 9 Ca 0.30 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 3fdr h LYS 9 Cb 0.04 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 3fdr h LYS 9 CO -0.09 0.33 0.18 1.25 -3.45 0.00 0.00 179.45 177.67 3fdr h LEU 10 N 0.39 0.28 -0.32 5.20 5.85 -0.19 -0.33 115.31 126.18 3fdr h LEU 10 Ca 0.11 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3fdr h LEU 10 Cb 0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3fdr h LEU 10 CO -0.02 0.20 0.07 0.58 -0.34 0.00 0.00 178.44 178.93 3fdr h VAL 11 N 0.36 0.85 -0.58 1.05 2.07 -0.84 0.13 116.25 119.29 3fdr h VAL 11 Ca 0.13 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3fdr h VAL 11 Cb 0.02 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3fdr h VAL 11 CO -0.07 0.03 0.37 0.78 0.02 0.00 0.00 177.57 178.71 3fdr h ASN 12 N 0.18 0.67 -0.13 0.57 4.21 -0.97 -0.49 115.58 119.62 3fdr h ASN 12 Ca 0.15 -0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 3fdr h ASN 12 Cb 0.16 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 3fdr h ASN 12 CO -0.19 0.50 0.07 -0.33 -1.29 0.00 0.00 177.43 176.19 3fdr h GLU 13 N 0.78 0.18 -0.66 0.81 3.07 -0.56 -1.09 114.58 117.12 3fdr h GLU 13 Ca 0.21 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 3fdr h GLU 13 Cb -0.07 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.77 3fdr h GLU 13 CO -0.04 0.22 0.24 0.52 -1.40 0.00 0.00 179.01 178.54 3fdr h MET 14 N 0.10 0.98 -0.04 2.33 2.86 -0.65 -1.37 114.93 119.14 3fdr h MET 14 Ca 0.05 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3fdr h MET 14 Cb 0.09 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3fdr h MET 14 CO -0.01 0.82 0.01 1.15 1.06 0.00 0.00 176.91 179.94 3fdr h THR 15 N 0.95 1.22 -0.96 2.22 2.02 -0.82 -0.41 112.91 117.14 3fdr h THR 15 Ca 0.22 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.77 3fdr h THR 15 Cb 0.22 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3fdr h THR 15 CO -0.01 0.18 0.63 1.56 0.37 0.00 0.00 175.52 178.24 3fdr h GLN 16 N -0.19 1.19 -0.54 6.66 1.08 -1.14 -1.04 115.11 121.14 3fdr h GLN 16 Ca 0.01 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 3fdr h GLN 16 Cb 0.28 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 3fdr h GLN 16 CO 0.00 0.79 0.10 1.25 -0.95 0.00 0.00 178.83 180.01 3fdr h HIS 17 N 1.23 0.93 0.00 2.96 2.76 -0.89 -3.34 115.15 118.80 3fdr h HIS 17 Ca 0.37 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3fdr h HIS 17 Cb -0.03 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.67 3fdr h HIS 17 CO -0.01 0.83 -1.33 0.66 -1.30 0.00 0.00 177.93 176.78 3fdr n TYR 18 N -4.38 0.22 -2.37 5.26 4.01 -0.19 -4.71 117.16 115.00 3fdr n TYR 18 Ca 0.02 0.07 -0.40 0.00 -0.16 0.00 0.00 57.90 57.42 3fdr n TYR 18 Cb 0.26 -0.45 -0.04 0.00 -0.31 0.00 0.00 39.34 38.80 3fdr n TYR 18 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 3fdr s GLU 19 N -3.29 4.51 0.00 -0.72 -1.05 -0.41 -1.85 118.70 115.88 3fdr s GLU 19 Ca 0.00 1.90 0.00 0.00 -0.15 0.00 0.00 54.97 56.73 3fdr s GLU 19 Cb 0.14 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.73 3fdr s GLU 19 CO 0.84 0.06 0.00 0.09 0.95 0.00 0.00 175.26 177.20 3fdr n ASN 20 N 0.96 0.00 -4.77 0.83 3.02 -1.26 -5.00 115.26 109.05 3fdr n ASN 20 Ca -0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 3fdr n ASN 20 Cb 0.44 -0.52 0.08 0.00 -0.61 0.00 0.00 39.78 39.18 3fdr n ASN 20 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3fdr s SER 21 N -3.16 4.63 -0.03 6.41 1.04 -0.77 -5.02 113.70 116.80 3fdr s SER 21 Ca 0.00 1.89 -0.10 0.00 0.48 0.00 0.00 55.95 58.22 3fdr s SER 21 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 3fdr s SER 21 CO 0.00 -1.95 0.29 0.68 0.98 0.00 0.00 173.24 173.24 3fdr s VAL 22 N -2.71 5.24 0.57 5.02 -7.23 -1.26 -5.06 120.40 114.97 3fdr s VAL 22 Ca 0.63 0.49 -0.21 0.00 -1.81 0.00 0.00 61.98 61.08 3fdr s VAL 22 Cb -0.18 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 3fdr s VAL 22 CO 0.52 0.53 1.25 -2.65 -0.31 0.00 0.00 175.10 174.44 3fdr n PRO 23 N 1.68 1.40 -4.23 4.82 -0.02 -1.26 -5.02 135.00 132.36 3fdr n PRO 23 Ca -0.15 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.63 3fdr n PRO 23 Cb 0.53 -2.46 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 3fdr n PRO 23 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3fdr s GLU 24 N -2.90 2.51 -1.33 -0.52 2.02 -1.26 -5.02 118.70 112.19 3fdr s GLU 24 Ca 0.74 -1.28 -0.12 0.00 0.02 0.00 0.00 54.97 54.33 3fdr s GLU 24 Cb -0.42 -2.30 0.12 0.00 0.10 0.00 0.00 34.13 31.63 3fdr s GLU 24 CO 0.47 0.38 1.95 -0.40 0.02 0.00 0.00 175.26 177.68 3fdr n ASP 25 N -0.96 4.71 -4.75 -0.19 5.68 -1.26 -4.96 116.55 114.81 3fdr n ASP 25 Ca -0.07 -3.01 -0.40 0.00 -0.50 0.00 0.00 54.79 50.81 3fdr n ASP 25 Cb 0.58 -1.56 -0.04 0.00 -1.14 0.00 0.00 41.12 38.97 3fdr n ASP 25 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3fdr s LEU 26 N 0.96 4.54 -0.28 -2.12 2.01 -1.26 -5.03 118.68 117.51 3fdr s LEU 26 Ca 0.43 2.25 -0.07 0.00 0.01 0.00 0.00 54.13 56.75 3fdr s LEU 26 Cb 0.10 -3.62 -0.00 0.00 0.01 0.00 0.00 46.19 42.67 3fdr s LEU 26 CO -0.02 -0.17 0.08 -0.89 1.01 0.00 0.00 176.35 176.36 3fdr s THR 27 N -0.98 4.05 0.13 5.49 2.01 -1.26 -5.11 115.64 119.97 3fdr s THR 27 Ca 0.46 -0.55 0.10 0.00 0.31 0.00 0.00 61.69 62.00 3fdr s THR 27 Cb -0.32 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 3fdr s THR 27 CO 0.40 0.15 -0.21 0.68 -0.69 0.00 0.00 174.62 174.95 3fdr s VAL 28 N 1.53 2.63 0.13 3.82 -7.23 -1.26 -5.14 120.40 114.88 3fdr s VAL 28 Ca 0.04 -1.62 0.07 0.00 -1.81 0.00 0.00 61.98 58.66 3fdr s VAL 28 Cb -0.17 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3fdr s VAL 28 CO 0.03 0.08 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.75 3fdr s HIS 29 N -1.15 1.51 0.16 2.82 3.76 -1.26 -5.09 115.29 116.05 3fdr s HIS 29 Ca 0.17 -0.52 -0.34 0.00 -0.15 0.00 0.00 55.06 54.22 3fdr s HIS 29 Cb -0.10 -0.78 -0.15 0.00 1.11 0.00 0.00 32.58 32.65 3fdr s HIS 29 CO 0.09 0.19 1.29 0.28 -0.85 0.00 0.00 174.74 175.73 3fdr n VAL 30 N 0.54 0.60 0.00 -0.90 0.31 -1.26 -1.59 118.33 116.02 3fdr n VAL 30 Ca -0.15 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3fdr n VAL 30 Cb 0.57 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 3fdr n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fdr n GLY 31 N 2.30 1.74 3.77 2.92 0.00 0.04 -5.00 105.19 110.96 3fdr n GLY 31 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3fdr n GLY 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fdr s ASP 32 N -1.63 5.49 -0.17 1.61 1.01 -0.62 -4.69 116.67 117.66 3fdr s ASP 32 Ca 0.00 2.17 -0.06 0.00 0.71 0.00 0.00 52.55 55.37 3fdr s ASP 32 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 3fdr s ASP 32 CO 0.00 -1.38 0.03 -0.63 0.21 0.00 0.00 175.17 173.40 3fdr s ILE 33 N -1.87 4.51 0.34 0.77 -1.09 -1.26 -1.01 121.20 121.59 3fdr s ILE 33 Ca 0.72 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 59.06 3fdr s ILE 33 Cb -0.24 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 3fdr s ILE 33 CO 0.31 0.48 0.22 0.68 -1.23 0.00 0.00 174.94 175.40 3fdr s VAL 34 N 0.27 0.18 -0.12 2.92 -7.23 0.27 -4.33 120.40 112.36 3fdr s VAL 34 Ca 0.02 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 3fdr s VAL 34 Cb -0.13 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3fdr s VAL 34 CO 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.80 3fdr s ALA 35 N -3.47 3.24 0.01 1.32 0.00 -0.06 -1.00 121.76 121.80 3fdr s ALA 35 Ca 0.36 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3fdr s ALA 35 Cb 0.03 -1.57 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 3fdr s ALA 35 CO 0.22 0.43 -0.07 0.00 0.00 0.00 0.00 175.76 176.34 3fdr s ALA 36 N -0.37 0.55 0.36 0.00 0.00 -0.16 -1.37 121.76 120.78 3fdr s ALA 36 Ca 0.07 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 3fdr s ALA 36 Cb -0.12 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.82 3fdr s ALA 36 CO 0.02 0.09 0.91 -1.25 0.00 0.00 0.00 175.76 175.53 3fdr s PRO 37 N -0.61 4.36 -0.36 0.00 0.04 -1.26 -0.27 135.00 136.90 3fdr s PRO 37 Ca -0.01 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.14 3fdr s PRO 37 Cb -0.05 -2.50 0.07 0.00 0.04 0.00 0.00 34.50 32.06 3fdr s PRO 37 CO 0.00 0.14 0.11 -1.17 0.04 0.00 0.00 177.00 176.12 3fdr s LEU 38 N -2.62 4.57 0.24 -3.56 2.96 0.12 -4.94 118.68 115.45 3fdr s LEU 38 Ca 0.55 -1.54 0.20 0.00 -0.22 0.00 0.00 54.13 53.12 3fdr s LEU 38 Cb -0.14 -1.81 0.95 0.00 0.50 0.00 0.00 46.19 45.70 3fdr s LEU 38 CO 0.18 -0.40 1.61 -2.65 -1.32 0.00 0.00 176.35 173.78 3fdr n PRO 39 N 4.67 0.14 0.11 0.98 -0.02 -1.26 -0.58 135.00 139.04 3fdr n PRO 39 Ca -0.09 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3fdr n PRO 39 Cb 0.43 -1.85 0.29 0.00 -0.02 0.00 0.00 33.50 32.35 3fdr n PRO 39 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3fdr h THR 40 N 0.00 0.00 0.00 3.45 1.35 -1.96 -3.37 112.91 112.38 3fdr h THR 40 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3fdr h THR 40 Cb 0.18 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3fdr h THR 40 CO 0.00 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.81 3fdr n ASN 41 N -2.37 0.07 0.00 5.36 0.23 -0.92 -5.03 115.26 112.60 3fdr n ASN 41 Ca 0.04 -0.40 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 3fdr n ASN 41 Cb 0.45 0.13 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 3fdr n ASN 41 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fdr n GLY 42 N 0.13 1.14 3.91 4.83 0.00 0.25 -5.04 105.19 110.42 3fdr n GLY 42 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3fdr n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fdr s SER 43 N -3.09 5.76 0.01 1.61 0.01 -1.24 -4.83 113.70 111.92 3fdr s SER 43 Ca 0.00 0.83 0.06 0.00 1.31 0.00 0.00 55.95 58.15 3fdr s SER 43 Cb 0.00 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 3fdr s SER 43 CO 0.00 -0.97 -0.16 0.26 0.41 0.00 0.00 173.24 172.77 3fdr s TRP 44 N -2.98 2.62 0.08 2.43 0.52 -1.26 -0.70 118.94 119.64 3fdr s TRP 44 Ca 0.53 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.46 3fdr s TRP 44 Cb -0.11 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.65 3fdr s TRP 44 CO 0.46 0.23 -0.08 0.71 0.02 0.00 0.00 176.95 178.29 3fdr s TYR 45 N -0.86 0.84 0.02 -1.98 2.02 0.62 -4.48 117.35 113.53 3fdr s TYR 45 Ca 0.14 -0.70 -0.30 0.00 -0.37 0.00 0.00 57.07 55.84 3fdr s TYR 45 Cb -0.11 -0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 3fdr s TYR 45 CO 0.04 -0.10 1.09 1.03 -1.57 0.00 0.00 175.55 176.04 3fdr s ARG 46 N -2.73 4.48 -0.01 -0.62 0.52 -1.26 -0.99 118.95 118.35 3fdr s ARG 46 Ca 0.02 1.59 0.02 0.00 -0.52 0.00 0.00 55.73 56.83 3fdr s ARG 46 Cb -0.02 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 32.02 3fdr s ARG 46 CO -0.02 -0.18 -0.06 0.00 0.02 0.00 0.00 175.30 175.06 3fdr s ALA 47 N 1.16 0.51 -0.11 2.13 0.00 -0.17 -2.44 121.76 122.84 3fdr s ALA 47 Ca 0.55 -0.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 3fdr s ALA 47 Cb -0.25 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3fdr s ALA 47 CO 0.28 0.12 0.46 0.50 0.00 0.00 0.00 175.76 177.12 3fdr s ARG 48 N -0.12 4.30 -0.04 0.00 3.52 0.08 -0.56 118.95 126.13 3fdr s ARG 48 Ca 0.02 0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 3fdr s ARG 48 Cb -0.03 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3fdr s ARG 48 CO -0.00 0.21 1.09 0.08 -0.81 0.00 0.00 175.30 175.86 3fdr s VAL 49 N 0.46 4.54 -0.37 7.11 1.01 -0.18 -0.89 120.40 132.08 3fdr s VAL 49 Ca 0.25 1.82 0.20 0.00 0.00 0.00 0.00 61.98 64.26 3fdr s VAL 49 Cb -0.15 -4.17 -0.28 0.00 0.00 0.00 0.00 36.38 31.78 3fdr s VAL 49 CO 0.10 0.06 0.59 0.18 0.00 0.00 0.00 175.10 176.03 3fdr n LEU 50 N 4.64 0.35 0.00 3.92 4.77 0.72 -0.78 117.00 130.63 3fdr n LEU 50 Ca 0.09 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3fdr n LEU 50 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3fdr n LEU 50 CO 0.53 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3fdr n GLY 51 N 1.39 0.55 3.24 -0.72 0.00 -1.22 -4.92 105.19 103.52 3fdr n GLY 51 Ca -0.01 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 3fdr n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fdr s THR 52 N -2.84 2.37 1.05 2.61 2.01 -1.26 -0.88 115.64 118.69 3fdr s THR 52 Ca 0.00 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 3fdr s THR 52 Cb 0.00 -1.95 0.21 0.00 0.01 0.00 0.00 72.50 70.77 3fdr s THR 52 CO 0.00 0.54 1.12 -0.76 -0.69 0.00 0.00 174.62 174.83 3fdr s LEU 53 N 0.57 1.43 0.37 4.42 1.43 0.19 -4.85 118.68 122.24 3fdr s LEU 53 Ca -0.12 0.89 0.06 0.00 -1.03 0.00 0.00 54.13 53.94 3fdr s LEU 53 Cb -0.16 -2.94 0.76 0.00 0.03 0.00 0.00 46.19 43.87 3fdr s LEU 53 CO 0.04 -3.34 1.96 -0.33 0.23 0.00 0.00 176.35 174.91 3fdr h GLU 54 N -2.04 0.71 -0.00 1.70 4.39 -2.01 -2.10 114.58 115.23 3fdr h GLU 54 Ca -0.50 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3fdr h GLU 54 Cb 1.31 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3fdr h GLU 54 CO 0.50 0.47 0.00 0.27 -1.16 0.00 0.00 179.01 179.09 3fdr n ASN 55 N -4.48 0.20 0.00 1.42 0.23 -1.26 -4.91 115.26 106.46 3fdr n ASN 55 Ca 0.10 -1.09 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 3fdr n ASN 55 Cb 0.22 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 3fdr n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fdr n GLY 56 N 1.01 3.35 3.74 4.83 0.00 -0.79 -5.05 105.19 112.28 3fdr n GLY 56 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 3fdr n GLY 56 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fdr s ASN 57 N -0.57 4.46 0.16 1.61 -0.87 -1.26 -4.76 114.94 113.70 3fdr s ASN 57 Ca 0.00 2.21 -0.27 0.00 -1.57 0.00 0.00 52.86 53.24 3fdr s ASN 57 Cb 0.00 -2.57 -0.08 0.00 -0.02 0.00 0.00 41.25 38.58 3fdr s ASN 57 CO 0.00 -2.08 0.82 -0.76 -2.57 0.00 0.00 177.10 172.51 3fdr s LEU 58 N -5.14 4.58 -0.00 0.60 1.02 0.60 -0.64 118.68 119.70 3fdr s LEU 58 Ca 0.71 1.69 -0.22 0.00 0.02 0.00 0.00 54.13 56.32 3fdr s LEU 58 Cb -0.26 -3.37 -0.05 0.00 0.02 0.00 0.00 46.19 42.53 3fdr s LEU 58 CO 0.45 0.15 0.67 -0.62 0.02 0.00 0.00 176.35 177.01 3fdr s ASP 59 N -0.89 7.05 0.05 2.29 2.15 -0.06 -2.21 116.67 125.05 3fdr s ASP 59 Ca 0.38 1.25 0.04 0.00 0.43 0.00 0.00 52.55 54.65 3fdr s ASP 59 Cb -0.23 -2.40 -0.03 0.00 -0.30 0.00 0.00 42.92 39.96 3fdr s ASP 59 CO 0.27 0.03 -0.11 -0.76 -0.17 0.00 0.00 175.17 174.44 3fdr s LEU 60 N 0.05 2.25 -0.19 -1.34 1.43 -0.33 -0.20 118.68 120.35 3fdr s LEU 60 Ca 0.34 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 3fdr s LEU 60 Cb -0.19 -0.34 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 3fdr s LEU 60 CO 0.19 -0.13 -0.03 -0.47 0.23 0.00 0.00 176.35 176.14 3fdr s TYR 61 N -1.27 2.99 -0.70 0.29 5.04 -0.07 -0.67 117.35 122.95 3fdr s TYR 61 Ca -0.06 -0.59 -0.25 0.00 -2.44 0.00 0.00 57.07 53.73 3fdr s TYR 61 Cb -0.10 -2.04 0.05 0.00 0.35 0.00 0.00 41.96 40.22 3fdr s TYR 61 CO 0.01 -0.29 1.15 -0.06 -1.34 0.00 0.00 175.55 175.02 3fdr s PHE 62 N 0.96 2.45 0.58 4.97 0.08 0.23 -0.74 117.98 126.51 3fdr s PHE 62 Ca 0.00 -0.24 0.32 0.00 0.12 0.00 0.00 56.93 57.13 3fdr s PHE 62 Cb -0.15 -4.49 1.89 0.00 -0.57 0.00 0.00 43.02 39.71 3fdr s PHE 62 CO 0.01 -1.89 2.26 -0.39 -0.10 0.00 0.00 175.22 175.10 3fdr h VAL 63 N 6.01 0.43 0.00 -0.44 -1.51 -1.79 0.54 116.25 119.49 3fdr h VAL 63 Ca -0.28 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3fdr h VAL 63 Cb 1.06 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3fdr h VAL 63 CO 1.24 0.01 -0.64 0.47 -1.23 0.00 0.00 177.57 177.42 3fdr n ASP 64 N -3.68 0.60 0.00 4.19 8.00 -1.26 -1.56 116.55 122.84 3fdr n ASP 64 Ca -0.03 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.16 3fdr n ASP 64 Cb 0.10 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 3fdr n ASP 64 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3fdr n PHE 65 N -1.60 0.00 -0.75 1.24 3.72 -0.56 -3.57 117.46 115.93 3fdr n PHE 65 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3fdr n PHE 65 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 3fdr n PHE 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fdr n GLY 66 N 1.81 0.74 3.89 1.37 0.00 0.07 -4.94 105.19 108.13 3fdr n GLY 66 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3fdr n GLY 66 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3fdr s ASP 67 N -2.44 5.75 0.41 1.61 1.47 -1.26 -4.93 116.67 117.28 3fdr s ASP 67 Ca 0.00 -0.20 0.01 0.00 1.18 0.00 0.00 52.55 53.54 3fdr s ASP 67 Cb 0.00 -1.44 -0.02 0.00 -0.34 0.00 0.00 42.92 41.13 3fdr s ASP 67 CO 0.00 -0.14 0.62 0.20 0.68 0.00 0.00 175.17 176.52 3fdr s ASN 68 N -3.94 6.02 0.00 2.11 0.01 -1.26 -0.60 114.94 117.28 3fdr s ASN 68 Ca 0.36 0.33 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 3fdr s ASN 68 Cb -0.08 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 39.87 3fdr s ASN 68 CO 0.27 -0.53 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 3fdr n GLY 69 N -1.95 3.04 3.36 0.66 0.00 0.15 -4.87 105.19 105.57 3fdr n GLY 69 Ca -0.01 -1.29 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 3fdr n GLY 69 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3fdr s ASP 70 N -0.77 -0.36 0.01 1.61 -4.77 -1.26 -1.18 116.67 109.95 3fdr s ASP 70 Ca 0.00 -0.10 -0.28 0.00 -3.30 0.00 0.00 52.55 48.87 3fdr s ASP 70 Cb 0.00 0.50 0.10 0.00 -1.09 0.00 0.00 42.92 42.43 3fdr s ASP 70 CO 0.00 -0.82 0.92 0.00 0.70 0.00 0.00 175.17 175.96 3fdr n PRO 72 N -0.28 2.33 -0.32 0.00 -0.02 -1.26 -0.29 135.00 135.15 3fdr n PRO 72 Ca -0.08 0.82 0.14 0.00 -2.02 0.00 0.00 63.50 62.36 3fdr n PRO 72 Cb 0.61 -2.48 0.28 0.00 -0.02 0.00 0.00 33.50 31.89 3fdr n PRO 72 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fdr h LEU 73 N 3.35 -0.37 -1.61 2.45 5.85 -1.95 -1.25 115.31 121.79 3fdr h LEU 73 Ca -0.47 0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3fdr h LEU 73 Cb 1.26 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 42.72 3fdr h LEU 73 CO 0.68 -0.30 -0.06 0.11 -0.34 0.00 0.00 178.44 178.52 3fdr h LYS 74 N 0.05 0.00 0.00 1.25 1.79 -1.94 -1.87 116.57 115.85 3fdr h LYS 74 Ca 0.57 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 3fdr h LYS 74 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3fdr h LYS 74 CO -0.84 0.06 0.00 -0.44 -1.08 0.00 0.00 179.45 177.15 3fdr h ASP 75 N 0.00 0.00 -4.27 0.86 3.32 -1.60 -3.42 116.42 111.31 3fdr h ASP 75 Ca -0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3fdr h ASP 75 Cb 0.49 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.10 3fdr h ASP 75 CO 0.01 0.00 0.38 -0.76 -1.72 0.00 0.00 179.24 177.15 3fdr s LEU 76 N -5.50 3.37 0.06 1.55 1.43 -0.70 -4.50 118.68 114.39 3fdr s LEU 76 Ca 0.06 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 3fdr s LEU 76 Cb 0.08 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 3fdr s LEU 76 CO 0.58 -1.07 -0.09 -0.13 0.23 0.00 0.00 176.35 175.87 3fdr s ARG 77 N -4.57 0.67 0.29 1.70 1.81 -0.47 -4.67 118.95 113.71 3fdr s ARG 77 Ca 0.59 -0.93 -0.29 0.00 -1.72 0.00 0.00 55.73 53.38 3fdr s ARG 77 Cb -0.13 -0.41 -0.10 0.00 -0.45 0.00 0.00 34.95 33.85 3fdr s ARG 77 CO 0.44 0.07 1.43 0.00 -0.68 0.00 0.00 175.30 176.56 3fdr s ALA 78 N -1.82 3.60 -0.28 2.13 0.00 -1.26 -0.88 121.76 123.24 3fdr s ALA 78 Ca -0.03 1.37 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 3fdr s ALA 78 Cb -0.07 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.51 3fdr s ALA 78 CO 0.00 -0.79 0.97 -1.17 0.00 0.00 0.00 175.76 174.78 3fdr s LEU 79 N -1.02 4.03 0.33 0.00 2.96 -1.26 -4.62 118.68 119.10 3fdr s LEU 79 Ca 0.56 1.06 -0.29 0.00 -0.22 0.00 0.00 54.13 55.24 3fdr s LEU 79 Cb -0.43 -3.40 -0.11 0.00 0.50 0.00 0.00 46.19 42.76 3fdr s LEU 79 CO 0.49 -0.72 1.51 -0.60 -1.32 0.00 0.00 176.35 175.71 3fdr s ARG 80 N 3.27 4.15 0.51 1.98 3.52 -1.26 -4.87 118.95 126.26 3fdr s ARG 80 Ca 0.41 2.51 0.26 0.00 -0.13 0.00 0.00 55.73 58.78 3fdr s ARG 80 Cb -0.14 -3.01 1.39 0.00 -1.56 0.00 0.00 34.95 31.63 3fdr s ARG 80 CO 0.11 -0.53 2.06 0.66 -0.81 0.00 0.00 175.30 176.79 3fdr h SER 81 N 3.97 0.00 0.23 -2.12 4.64 -2.02 -1.13 113.55 117.12 3fdr h SER 81 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 3fdr h SER 81 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3fdr h SER 81 CO 0.72 0.13 -0.16 -2.24 -0.87 0.00 0.00 176.83 174.41 3fdr h ASP 82 N 0.00 0.00 0.25 4.97 2.03 -2.04 -1.90 116.42 119.73 3fdr h ASP 82 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3fdr h ASP 82 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 3fdr h ASP 82 CO 0.02 0.16 0.00 0.49 -1.03 0.00 0.00 179.24 178.87 3fdr n PHE 83 N -4.07 0.00 1.20 4.15 3.72 -0.43 -2.47 117.46 119.56 3fdr n PHE 83 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3fdr n PHE 83 Cb 0.24 -0.22 0.43 0.00 -0.94 0.00 0.00 39.48 38.98 3fdr n PHE 83 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3fdr n LEU 84 N -1.22 0.65 -0.16 4.37 4.77 -0.71 -4.43 117.00 120.26 3fdr n LEU 84 Ca 0.09 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.98 3fdr n LEU 84 Cb 0.12 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3fdr n LEU 84 CO 0.12 0.13 0.71 -1.28 -1.33 0.00 0.00 177.39 175.74 3fdr h SER 85 N 0.60 -0.75 -3.37 -1.43 0.87 -1.65 -3.41 113.55 104.41 3fdr h SER 85 Ca 0.00 0.18 -0.53 0.00 -1.23 0.00 0.00 61.79 60.22 3fdr h SER 85 Cb 0.46 0.42 0.01 0.00 -0.44 0.00 0.00 62.40 62.85 3fdr h SER 85 CO 0.00 -0.24 0.53 -0.22 -0.53 0.00 0.00 176.83 176.37 3fdr s LEU 86 N -10.72 4.42 0.65 2.23 2.96 -1.26 -4.99 118.68 111.97 3fdr s LEU 86 Ca -0.14 2.09 -0.18 0.00 -0.22 0.00 0.00 54.13 55.67 3fdr s LEU 86 Cb 0.16 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.25 3fdr s LEU 86 CO 0.71 -0.37 1.29 -2.84 -1.32 0.00 0.00 176.35 173.82 3fdr s PRO 87 N 0.34 2.53 0.22 0.98 0.02 -1.26 -4.89 135.00 132.94 3fdr s PRO 87 Ca 0.55 2.06 -0.32 0.00 0.02 0.00 0.00 61.00 63.31 3fdr s PRO 87 Cb -0.30 -1.84 -0.12 0.00 0.02 0.00 0.00 34.50 32.26 3fdr s PRO 87 CO 0.33 -1.61 1.70 1.19 -0.33 0.00 0.00 177.00 178.27 3fdr n PHE 88 N -1.93 2.76 0.06 6.54 3.72 -1.26 -4.90 117.46 122.45 3fdr n PHE 88 Ca 0.16 0.08 0.01 0.00 -0.05 0.00 0.00 57.45 57.65 3fdr n PHE 88 Cb 0.48 -2.66 -0.06 0.00 -0.94 0.00 0.00 39.48 36.31 3fdr n PHE 88 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3fdr h GLN 89 N 6.39 0.00 -6.75 -1.08 1.08 -1.77 -3.46 115.11 109.52 3fdr h GLN 89 Ca -0.44 0.00 -0.49 0.00 -1.45 0.00 0.00 58.65 56.27 3fdr h GLN 89 Cb 1.21 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 3fdr h GLN 89 CO 0.93 0.31 0.34 0.00 -0.95 0.00 0.00 178.83 179.46 3fdr s ALA 90 N -2.96 3.33 -0.23 3.87 0.00 -0.60 -4.92 121.76 120.25 3fdr s ALA 90 Ca -0.01 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 3fdr s ALA 90 Cb 0.08 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 3fdr s ALA 90 CO 0.80 0.21 -0.02 0.42 0.00 0.00 0.00 175.76 177.17 3fdr s ILE 91 N -1.22 3.56 -0.40 0.00 -1.09 -1.26 -4.94 121.20 115.85 3fdr s ILE 91 Ca 0.42 -0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 3fdr s ILE 91 Cb -0.25 -2.63 0.02 0.00 -1.58 0.00 0.00 42.46 38.02 3fdr s ILE 91 CO 0.31 0.40 1.14 -0.70 -1.23 0.00 0.00 174.94 174.86 3fdr s GLU 92 N 1.51 3.87 0.00 2.79 2.56 -1.26 -5.06 118.70 123.11 3fdr s GLU 92 Ca 0.06 0.83 0.00 0.00 0.00 0.00 0.00 54.97 55.86 3fdr s GLU 92 Cb -0.14 -3.84 0.00 0.00 2.00 0.00 0.00 34.13 32.14 3fdr s GLU 92 CO -0.02 -1.18 0.00 0.00 -0.56 0.00 0.00 175.26 173.50