#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4r s THR 9 N 0.00 4.81 -0.62 0.00 -1.32 0.21 -4.78 115.64 113.94 1b4r s THR 9 Ca 0.00 1.04 -0.17 0.00 -1.21 0.00 0.00 61.69 61.35 1b4r s THR 9 Cb 0.00 -3.82 0.14 0.00 -1.51 0.00 0.00 72.50 67.31 1b4r s THR 9 CO 0.00 0.46 0.63 -0.76 -2.21 0.00 0.00 174.62 172.74 1b4r s LEU 10 N -1.38 6.00 -0.27 9.08 1.02 -1.26 -1.84 118.68 130.02 1b4r s LEU 10 Ca 0.31 -1.84 -0.06 0.00 0.02 0.00 0.00 54.13 52.56 1b4r s LEU 10 Cb -0.18 -2.24 0.01 0.00 0.02 0.00 0.00 46.19 43.80 1b4r s LEU 10 CO 0.18 -0.90 0.04 -0.69 0.02 0.00 0.00 176.35 175.01 1b4r s VAL 11 N 1.73 3.75 -0.56 -1.59 1.01 -0.38 -5.00 120.40 119.35 1b4r s VAL 11 Ca 0.09 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1b4r s VAL 11 Cb -0.24 -2.89 0.26 0.00 0.00 0.00 0.00 36.38 33.51 1b4r s VAL 11 CO 0.01 0.16 0.71 0.61 0.00 0.00 0.00 175.10 176.60 1b4r n GLY 12 N 4.83 4.37 3.80 4.51 0.00 -1.26 0.51 105.19 121.95 1b4r n GLY 12 Ca -0.15 -2.44 -0.34 0.00 0.00 0.00 0.00 46.02 43.09 1b4r n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b4r s PRO 13 N -2.26 3.73 0.00 1.61 0.04 -0.96 -4.73 135.00 132.43 1b4r s PRO 13 Ca 0.40 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1b4r s PRO 13 Cb 0.17 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1b4r s PRO 13 CO -0.05 -0.48 0.00 1.58 0.04 0.00 0.00 177.00 178.09 1b4r n HIS 14 N -1.18 0.00 0.00 0.56 -0.00 -1.26 -1.74 115.22 111.60 1b4r n HIS 14 Ca 0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.27 1b4r n HIS 14 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 1b4r n HIS 14 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1b4r n GLY 15 N 0.00 0.29 3.82 1.57 0.00 -1.26 -5.01 105.19 104.60 1b4r n GLY 15 Ca 0.00 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 1b4r n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b4r s PRO 16 N 0.00 3.92 -0.34 1.61 0.04 -1.26 -5.04 135.00 133.92 1b4r s PRO 16 Ca 0.00 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1b4r s PRO 16 Cb 0.00 -2.12 0.10 0.00 0.04 0.00 0.00 34.50 32.52 1b4r s PRO 16 CO 0.00 -0.31 0.06 -0.51 0.04 0.00 0.00 177.00 176.28 1b4r s LEU 17 N -3.67 4.58 0.60 -3.56 1.43 -1.26 -5.01 118.68 111.78 1b4r s LEU 17 Ca 0.63 -2.15 -0.00 0.00 -1.03 0.00 0.00 54.13 51.58 1b4r s LEU 17 Cb -0.12 -1.57 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1b4r s LEU 17 CO 0.23 -0.38 0.84 0.00 0.23 0.00 0.00 176.35 177.27 1b4r s ALA 18 N 0.92 3.75 -0.14 4.21 0.00 -1.26 -1.18 121.76 128.05 1b4r s ALA 18 Ca 0.11 -1.31 -0.36 0.00 0.00 0.00 0.00 51.96 50.40 1b4r s ALA 18 Cb -0.19 -2.16 -0.13 0.00 0.00 0.00 0.00 23.12 20.64 1b4r s ALA 18 CO -0.09 -0.93 1.85 0.45 0.00 0.00 0.00 175.76 177.04 1b4r n SER 19 N -2.50 3.17 -0.61 0.00 2.88 0.16 -2.21 113.62 114.52 1b4r n SER 19 Ca 0.09 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1b4r n SER 19 Cb 0.60 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1b4r n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b4r n GLY 20 N 4.36 0.55 3.46 0.46 0.00 -0.30 -4.95 105.19 108.77 1b4r n GLY 20 Ca 0.24 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1b4r n GLY 20 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b4r s GLN 21 N -2.49 2.18 -0.62 1.61 -1.52 0.80 -4.95 119.66 114.67 1b4r s GLN 21 Ca 0.00 -0.91 -0.07 0.00 -1.95 0.00 0.00 55.36 52.43 1b4r s GLN 21 Cb 0.00 -2.23 0.16 0.00 -0.22 0.00 0.00 33.01 30.72 1b4r s GLN 21 CO 0.00 0.56 0.48 -1.17 -0.25 0.00 0.00 175.29 174.91 1b4r s LEU 22 N -1.25 5.70 0.59 2.90 1.98 -1.26 -0.93 118.68 126.40 1b4r s LEU 22 Ca 0.14 -2.54 -0.15 0.00 -2.89 0.00 0.00 54.13 48.68 1b4r s LEU 22 Cb -0.11 -1.97 -0.04 0.00 0.66 0.00 0.00 46.19 44.73 1b4r s LEU 22 CO 0.04 -0.50 1.04 0.00 -1.89 0.00 0.00 176.35 175.04 1b4r s ALA 23 N 0.40 2.80 -0.23 5.97 0.00 0.83 -4.79 121.76 126.74 1b4r s ALA 23 Ca 0.14 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1b4r s ALA 23 Cb -0.20 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1b4r s ALA 23 CO -0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 175.76 174.85 1b4r s ALA 24 N -2.55 2.51 0.50 0.00 0.00 -0.71 0.36 121.76 121.87 1b4r s ALA 24 Ca 0.62 -1.52 0.09 0.00 0.00 0.00 0.00 51.96 51.15 1b4r s ALA 24 Cb -0.15 -1.47 0.05 0.00 0.00 0.00 0.00 23.12 21.56 1b4r s ALA 24 CO 0.38 -0.83 0.69 -0.06 0.00 0.00 0.00 175.76 175.93 1b4r s PHE 25 N 1.21 2.05 -0.28 0.00 0.40 0.14 -2.27 117.98 119.22 1b4r s PHE 25 Ca -0.02 -0.58 -0.24 0.00 -0.60 0.00 0.00 56.93 55.49 1b4r s PHE 25 Cb -0.17 -2.28 0.13 0.00 0.51 0.00 0.00 43.02 41.21 1b4r s PHE 25 CO -0.08 -0.81 1.04 -3.38 0.70 0.00 0.00 175.22 172.69 1b4r s HIS 26 N -2.52 -0.47 0.08 0.36 -3.43 0.18 -1.40 115.29 108.09 1b4r s HIS 26 Ca 0.58 1.12 0.04 0.00 -0.80 0.00 0.00 55.06 56.00 1b4r s HIS 26 Cb -0.08 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1b4r s HIS 26 CO 0.36 -0.23 0.02 0.42 -2.00 0.00 0.00 174.74 173.31 1b4r s ILE 27 N 0.32 4.14 -0.07 -5.38 -1.09 0.17 -1.24 121.20 118.06 1b4r s ILE 27 Ca 0.02 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1b4r s ILE 27 Cb -0.05 -2.96 0.02 0.00 -1.58 0.00 0.00 42.46 37.89 1b4r s ILE 27 CO -0.07 0.15 -0.04 0.00 -1.23 0.00 0.00 174.94 173.74 1b4r s ALA 28 N -1.30 0.85 0.00 9.38 0.00 -0.77 -4.76 121.76 125.16 1b4r s ALA 28 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1b4r s ALA 28 Cb -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1b4r s ALA 28 CO 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.73 1b4r n ALA 29 N 4.51 0.00 -1.71 0.00 0.00 -1.26 0.63 120.51 122.69 1b4r n ALA 29 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 1b4r n ALA 29 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 1b4r n ALA 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b4r n PRO 30 N -1.91 2.87 0.00 0.00 -0.04 -1.26 -4.87 135.00 129.78 1b4r n PRO 30 Ca 0.00 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1b4r n PRO 30 Cb 0.00 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.20 1b4r n PRO 30 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1b4r n LEU 31 N 6.01 0.00 -4.55 1.53 7.99 -1.26 -2.82 117.00 123.90 1b4r n LEU 31 Ca 0.53 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 56.13 1b4r n LEU 31 Cb 0.38 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.66 1b4r n LEU 31 CO 0.90 0.00 1.33 -2.16 -1.51 0.00 0.00 177.39 175.95 1b4r s PRO 32 N -2.22 3.32 0.05 3.23 0.04 -1.26 -4.99 135.00 133.17 1b4r s PRO 32 Ca 0.00 -0.59 0.08 0.00 0.04 0.00 0.00 61.00 60.53 1b4r s PRO 32 Cb 0.00 -4.73 -0.03 0.00 0.04 0.00 0.00 34.50 29.78 1b4r s PRO 32 CO 0.00 -2.24 -0.22 0.08 0.04 0.00 0.00 177.00 174.66 1b4r s VAL 33 N 5.67 2.48 -0.06 -0.36 1.01 -1.13 -4.90 120.40 123.12 1b4r s VAL 33 Ca 0.42 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 61.17 1b4r s VAL 33 Cb -0.05 -2.01 -0.11 0.00 0.00 0.00 0.00 36.38 34.21 1b4r s VAL 33 CO 0.04 0.34 0.18 1.07 0.00 0.00 0.00 175.10 176.73 1b4r n THR 34 N 1.62 0.00 -3.63 3.92 5.66 -1.26 -4.39 114.28 116.20 1b4r n THR 34 Ca -0.17 -0.19 -0.03 0.00 -3.05 0.00 0.00 64.05 60.61 1b4r n THR 34 Cb 0.52 0.42 -0.04 0.00 -1.55 0.00 0.00 70.33 69.68 1b4r n THR 34 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4r s ALA 35 N -2.41 -2.10 -0.01 1.79 0.00 -1.22 -0.27 121.76 117.55 1b4r s ALA 35 Ca -0.02 1.82 0.00 0.00 0.00 0.00 0.00 51.96 53.77 1b4r s ALA 35 Cb 0.05 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1b4r s ALA 35 CO 0.31 -0.32 -0.00 -0.08 0.00 0.00 0.00 175.76 175.66 1b4r s THR 36 N -1.31 0.08 -0.36 0.00 -1.32 -0.46 -1.17 115.64 111.09 1b4r s THR 36 Ca 0.08 0.01 -0.19 0.00 -1.21 0.00 0.00 61.69 60.38 1b4r s THR 36 Cb -0.01 -0.11 0.00 0.00 -1.51 0.00 0.00 72.50 70.87 1b4r s THR 36 CO -0.06 0.05 0.56 -0.60 -2.21 0.00 0.00 174.62 172.36 1b4r s ARG 37 N 0.29 3.59 0.56 7.08 3.52 0.98 -1.00 118.95 133.95 1b4r s ARG 37 Ca -0.02 -0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.49 1b4r s ARG 37 Cb -0.04 -3.83 0.10 0.00 -1.56 0.00 0.00 34.95 29.62 1b4r s ARG 37 CO -0.01 -0.71 0.77 0.91 -0.81 0.00 0.00 175.30 175.45 1b4r n TRP 38 N 5.87 -2.56 -3.32 5.12 7.02 0.40 0.16 117.44 130.13 1b4r n TRP 38 Ca -0.04 -1.79 -0.10 0.00 -1.02 0.00 0.00 57.50 54.56 1b4r n TRP 38 Cb 0.49 -0.54 -0.07 0.00 -2.42 0.00 0.00 31.31 28.77 1b4r n TRP 38 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b4r s ASP 39 N -4.33 0.52 -0.09 -0.99 1.01 0.12 0.46 116.67 113.39 1b4r s ASP 39 Ca 0.56 -0.31 -0.00 0.00 0.71 0.00 0.00 52.55 53.50 1b4r s ASP 39 Cb -0.04 1.03 -0.00 0.00 1.01 0.00 0.00 42.92 44.92 1b4r s ASP 39 CO 0.36 -0.35 -0.00 -0.26 0.21 0.00 0.00 175.17 175.13 1b4r h PHE 40 N 8.18 0.00 0.00 4.23 0.04 -1.19 -2.68 116.94 125.52 1b4r h PHE 40 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1b4r h PHE 40 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1b4r h PHE 40 CO 0.24 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.36 1b4r n GLY 41 N 1.81 0.82 0.00 -1.45 0.00 -0.55 -4.37 105.19 101.44 1b4r n GLY 41 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1b4r n GLY 41 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b4r n ASP 42 N 0.30 0.00 0.10 1.61 5.68 -1.26 -4.84 116.55 118.13 1b4r n ASP 42 Ca 0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 1b4r n ASP 42 Cb 0.00 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.13 1b4r n ASP 42 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1b4r h GLY 43 N 0.00 0.00 -6.33 6.12 0.00 -1.96 -3.45 103.07 97.45 1b4r h GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.95 1b4r h GLY 43 CO 0.00 0.00 -0.76 -1.35 0.00 0.00 0.00 176.54 174.43 1b4r s SER 44 N -4.90 0.77 0.00 0.19 1.04 -1.26 -5.10 113.70 104.45 1b4r s SER 44 Ca 0.05 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1b4r s SER 44 Cb 0.11 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1b4r s SER 44 CO 0.72 -0.08 0.00 0.00 0.98 0.00 0.00 173.24 174.86 1b4r n ALA 45 N 4.13 0.00 -1.53 5.32 0.00 -1.26 -1.49 120.51 125.68 1b4r n ALA 45 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1b4r n ALA 45 Cb 0.51 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.03 1b4r n ALA 45 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1b4r n GLU 46 N -0.13 0.76 -3.81 0.00 0.28 -1.26 -1.14 120.64 115.33 1b4r n GLU 46 Ca 0.00 0.31 -0.14 0.00 -0.16 0.00 0.00 57.16 57.17 1b4r n GLU 46 Cb 0.00 -2.25 -0.15 0.00 1.43 0.00 0.00 31.44 30.47 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1b4r s VAL 47 N -1.62 -0.03 -0.58 3.84 1.01 0.17 -4.75 120.40 118.44 1b4r s VAL 47 Ca 0.76 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1b4r s VAL 47 Cb -0.38 -0.06 0.15 0.00 0.00 0.00 0.00 36.38 36.09 1b4r s VAL 47 CO 0.47 0.05 0.37 -1.81 0.00 0.00 0.00 175.10 174.18 1b4r s ASP 48 N 0.60 4.94 0.23 3.32 1.01 -1.26 -0.46 116.67 125.06 1b4r s ASP 48 Ca -0.05 -2.87 -0.04 0.00 0.71 0.00 0.00 52.55 50.30 1b4r s ASP 48 Cb -0.07 -1.78 -0.05 0.00 1.01 0.00 0.00 42.92 42.03 1b4r s ASP 48 CO -0.02 -0.33 0.47 0.00 0.21 0.00 0.00 175.17 175.50 1b4r s ALA 49 N -0.09 3.72 0.27 5.23 0.00 -0.17 -4.96 121.76 125.76 1b4r s ALA 49 Ca 0.17 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.38 1b4r s ALA 49 Cb -0.22 -2.17 -0.08 0.00 0.00 0.00 0.00 23.12 20.65 1b4r s ALA 49 CO -0.02 0.40 0.61 0.00 0.00 0.00 0.00 175.76 176.74 1b4r s ALA 50 N -1.92 3.49 0.00 0.00 0.00 -1.22 -1.36 121.76 120.75 1b4r s ALA 50 Ca 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1b4r s ALA 50 Cb -0.11 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1b4r s ALA 50 CO 0.28 0.42 0.00 0.41 0.00 0.00 0.00 175.76 176.87 1b4r n GLY 51 N -0.31 0.72 1.87 0.00 0.00 0.63 -1.90 105.19 106.21 1b4r n GLY 51 Ca 0.01 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 1b4r n GLY 51 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b4r n PRO 52 N 0.00 1.71 -3.85 1.61 -0.04 -1.26 -2.73 135.00 130.45 1b4r n PRO 52 Ca 0.00 -1.33 -0.12 0.00 -0.04 0.00 0.00 63.50 62.01 1b4r n PRO 52 Cb 0.00 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.80 1b4r n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b4r s ALA 53 N -1.42 -0.40 0.00 0.55 0.00 -0.80 -0.66 121.76 119.04 1b4r s ALA 53 Ca 0.29 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1b4r s ALA 53 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.34 1b4r s ALA 53 CO -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.56 1b4r n ALA 54 N 1.80 0.00 -3.31 0.00 0.00 -0.49 -3.39 120.51 115.12 1b4r n ALA 54 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 1b4r n ALA 54 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 1b4r n ALA 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1b4r s SER 55 N -0.88 -0.37 -0.12 0.00 1.04 -1.26 0.26 113.70 112.37 1b4r s SER 55 Ca 0.00 0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 1b4r s SER 55 Cb 0.00 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1b4r s SER 55 CO 0.00 -0.32 0.05 -1.00 0.98 0.00 0.00 173.24 172.95 1b4r s HIS 56 N -0.57 3.30 -0.73 5.02 3.76 0.16 -4.87 115.29 121.36 1b4r s HIS 56 Ca -0.07 0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 55.03 1b4r s HIS 56 Cb -0.04 -1.90 0.19 0.00 1.11 0.00 0.00 32.58 31.95 1b4r s HIS 56 CO 0.03 0.47 0.59 -0.98 -0.85 0.00 0.00 174.74 174.01 1b4r s ARG 57 N -0.64 3.00 -0.29 1.40 1.70 -1.26 -0.12 118.95 122.74 1b4r s ARG 57 Ca 0.11 -2.64 -0.19 0.00 -0.47 0.00 0.00 55.73 52.55 1b4r s ARG 57 Cb -0.12 -3.98 -0.02 0.00 -0.57 0.00 0.00 34.95 30.27 1b4r s ARG 57 CO 0.02 -1.22 0.54 0.71 -1.08 0.00 0.00 175.30 174.28 1b4r s TYR 58 N -0.22 3.24 -0.12 5.89 2.02 -0.11 -4.06 117.35 123.99 1b4r s TYR 58 Ca 0.19 0.54 0.12 0.00 -0.37 0.00 0.00 57.07 57.55 1b4r s TYR 58 Cb -0.16 -2.83 -0.17 0.00 -0.40 0.00 0.00 41.96 38.41 1b4r s TYR 58 CO -0.06 -0.38 0.07 0.28 -1.57 0.00 0.00 175.55 173.89 1b4r n VAL 59 N 5.27 0.81 -3.75 0.71 0.31 -1.26 -0.14 118.33 120.28 1b4r n VAL 59 Ca -0.03 -0.54 -0.33 0.00 -0.01 0.00 0.00 64.34 63.43 1b4r n VAL 59 Cb 0.49 -0.56 -0.05 0.00 -0.91 0.00 0.00 33.84 32.81 1b4r n VAL 59 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1b4r s LEU 60 N -4.87 4.34 -0.12 7.52 0.20 -1.26 -2.87 118.68 121.62 1b4r s LEU 60 Ca -0.06 0.53 -0.29 0.00 0.69 0.00 0.00 54.13 54.99 1b4r s LEU 60 Cb 0.04 -2.90 -0.01 0.00 -0.43 0.00 0.00 46.19 42.89 1b4r s LEU 60 CO 0.55 0.18 1.09 -2.16 -0.29 0.00 0.00 176.35 175.72 1b4r s PRO 61 N -2.13 4.35 0.00 0.98 0.04 -1.26 -4.75 135.00 132.24 1b4r s PRO 61 Ca 0.33 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1b4r s PRO 61 Cb -0.13 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1b4r s PRO 61 CO 0.20 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1b4r n GLY 62 N 3.26 -0.39 3.39 0.56 0.00 0.80 -4.93 105.19 107.89 1b4r n GLY 62 Ca 0.10 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 1b4r n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b4r s ARG 63 N -2.00 3.49 0.22 1.61 0.52 -1.26 0.27 118.95 121.81 1b4r s ARG 63 Ca 0.00 -0.60 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 1b4r s ARG 63 Cb 0.00 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1b4r s ARG 63 CO 0.00 0.06 0.09 0.71 0.02 0.00 0.00 175.30 176.18 1b4r s TYR 64 N 0.81 2.95 -0.16 -0.53 1.51 -0.15 -4.93 117.35 116.86 1b4r s TYR 64 Ca -0.02 -0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1b4r s TYR 64 Cb -0.15 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.33 1b4r s TYR 64 CO 0.01 0.55 -0.09 -1.58 -1.11 0.00 0.00 175.55 173.33 1b4r s HIS 65 N -2.02 2.89 0.09 2.71 2.46 -1.26 -1.48 115.29 118.67 1b4r s HIS 65 Ca 0.31 -0.69 0.04 0.00 0.47 0.00 0.00 55.06 55.19 1b4r s HIS 65 Cb -0.08 -1.94 -0.04 0.00 -0.13 0.00 0.00 32.58 30.39 1b4r s HIS 65 CO 0.22 -0.29 0.03 0.08 -2.47 0.00 0.00 174.74 172.31 1b4r s VAL 66 N 0.68 4.20 0.05 0.89 1.01 0.10 -4.60 120.40 122.73 1b4r s VAL 66 Ca -0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1b4r s VAL 66 Cb -0.15 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1b4r s VAL 66 CO 0.02 0.12 0.23 0.42 0.00 0.00 0.00 175.10 175.89 1b4r s THR 67 N -1.34 0.11 0.20 3.92 -4.23 -1.01 -0.09 115.64 113.19 1b4r s THR 67 Ca 0.27 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 59.77 1b4r s THR 67 Cb -0.12 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.75 1b4r s THR 67 CO 0.20 -0.48 0.44 0.00 -0.54 0.00 0.00 174.62 174.24 1b4r s ALA 68 N -2.76 -0.52 -0.04 3.99 0.00 -0.56 0.16 121.76 122.03 1b4r s ALA 68 Ca -0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1b4r s ALA 68 Cb -0.00 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.04 1b4r s ALA 68 CO -0.05 -0.77 0.09 0.54 0.00 0.00 0.00 175.76 175.57 1b4r s VAL 69 N -3.93 -0.05 0.11 0.00 0.11 0.12 0.31 120.40 117.07 1b4r s VAL 69 Ca 0.14 0.19 -0.20 0.00 -2.93 0.00 0.00 61.98 59.18 1b4r s VAL 69 Cb 0.00 -0.16 -0.07 0.00 -1.53 0.00 0.00 36.38 34.62 1b4r s VAL 69 CO 0.00 0.08 0.62 -0.76 -3.33 0.00 0.00 175.10 171.71 1b4r s LEU 70 N 1.07 4.51 -0.23 2.54 2.01 -0.39 -0.02 118.68 128.16 1b4r s LEU 70 Ca -0.09 1.33 -0.01 0.00 0.01 0.00 0.00 54.13 55.38 1b4r s LEU 70 Cb -0.12 -3.05 0.07 0.00 0.01 0.00 0.00 46.19 43.11 1b4r s LEU 70 CO -0.04 0.23 0.01 0.00 1.01 0.00 0.00 176.35 177.56 1b4r s ALA 71 N -1.17 1.54 -0.70 4.21 0.00 -0.32 -3.20 121.76 122.12 1b4r s ALA 71 Ca 0.32 -1.18 0.14 0.00 0.00 0.00 0.00 51.96 51.24 1b4r s ALA 71 Cb -0.20 -1.38 -0.14 0.00 0.00 0.00 0.00 23.12 21.41 1b4r s ALA 71 CO 0.20 -1.27 0.60 -0.11 0.00 0.00 0.00 175.76 175.19 1b4r n LEU 72 N 4.84 0.71 0.00 0.00 0.00 0.01 -3.76 117.00 118.79 1b4r n LEU 72 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 56.01 55.41 1b4r n LEU 72 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.87 1b4r n LEU 72 CO 0.15 0.17 0.00 0.61 0.00 0.00 0.00 177.39 178.32 1b4r n GLY 73 N 1.31 3.01 0.09 -3.96 0.00 -1.26 -4.54 105.19 99.83 1b4r n GLY 73 Ca 0.03 -0.81 0.02 0.00 0.00 0.00 0.00 46.02 45.26 1b4r n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4r n ALA 74 N 0.00 2.52 -2.59 4.61 0.00 -1.26 -5.03 120.51 118.77 1b4r n ALA 74 Ca 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 1b4r n ALA 74 Cb 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 1b4r n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1b4r s GLY 75 N -0.95 0.26 0.37 0.00 0.00 -1.26 -5.17 107.32 100.57 1b4r s GLY 75 Ca 0.03 -0.73 -0.05 0.00 0.00 0.00 0.00 44.72 43.97 1b4r s GLY 75 CO 0.12 -0.86 0.57 -1.35 0.00 0.00 0.00 173.10 171.58 1b4r s SER 76 N -2.27 0.80 0.27 1.64 1.04 -1.26 -0.81 113.70 113.11 1b4r s SER 76 Ca -0.03 -1.46 -0.17 0.00 0.48 0.00 0.00 55.95 54.77 1b4r s SER 76 Cb 0.00 0.73 0.01 0.00 0.10 0.00 0.00 66.02 66.86 1b4r s SER 76 CO -0.06 -1.44 0.61 0.00 0.98 0.00 0.00 173.24 173.33 1b4r s ALA 77 N -2.71 -0.72 -0.04 5.32 0.00 -1.19 -4.81 121.76 117.61 1b4r s ALA 77 Ca 0.27 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1b4r s ALA 77 Cb -0.02 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1b4r s ALA 77 CO 0.19 -0.95 -0.20 -0.51 0.00 0.00 0.00 175.76 174.30 1b4r s LEU 78 N -2.98 1.98 0.26 0.00 1.02 -1.26 -1.27 118.68 116.43 1b4r s LEU 78 Ca 0.17 -0.39 0.12 0.00 0.02 0.00 0.00 54.13 54.04 1b4r s LEU 78 Cb -0.03 -1.08 -0.05 0.00 0.02 0.00 0.00 46.19 45.05 1b4r s LEU 78 CO 0.08 0.20 -0.20 -0.22 0.02 0.00 0.00 176.35 176.23 1b4r s LEU 79 N -0.13 2.59 -0.33 1.79 1.98 0.15 -3.81 118.68 120.93 1b4r s LEU 79 Ca -0.01 -0.96 -0.04 0.00 -2.89 0.00 0.00 54.13 50.23 1b4r s LEU 79 Cb -0.11 -1.16 0.19 0.00 0.66 0.00 0.00 46.19 45.76 1b4r s LEU 79 CO 0.02 0.06 0.89 -0.83 -1.89 0.00 0.00 176.35 174.60 1b4r s GLY 80 N -3.30 -1.26 0.12 7.98 0.00 -1.25 -1.49 107.32 108.11 1b4r s GLY 80 Ca 0.28 1.29 0.01 0.00 0.00 0.00 0.00 44.72 46.29 1b4r s GLY 80 CO 0.14 4.02 0.04 -1.30 0.00 0.00 0.00 173.10 176.01 1b4r n THR 81 N 4.54 0.00 -3.74 0.90 -2.24 0.87 -4.91 114.28 109.70 1b4r n THR 81 Ca 0.08 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.22 1b4r n THR 81 Cb 0.59 -0.14 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 1b4r n THR 81 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1b4r s ASP 82 N -1.66 -0.26 0.09 3.42 2.15 -1.26 0.02 116.67 119.16 1b4r s ASP 82 Ca 0.03 0.25 0.04 0.00 0.43 0.00 0.00 52.55 53.30 1b4r s ASP 82 Cb -0.00 0.41 -0.03 0.00 -0.30 0.00 0.00 42.92 42.99 1b4r s ASP 82 CO 0.02 -0.41 -0.11 0.54 -0.17 0.00 0.00 175.17 175.04 1b4r s VAL 83 N -1.07 0.92 -0.51 1.11 0.11 -0.55 -4.94 120.40 115.48 1b4r s VAL 83 Ca -0.11 -1.51 0.04 0.00 -2.93 0.00 0.00 61.98 57.47 1b4r s VAL 83 Cb -0.04 -1.21 0.13 0.00 -1.53 0.00 0.00 36.38 33.73 1b4r s VAL 83 CO 0.04 -0.47 0.27 -1.58 -3.33 0.00 0.00 175.10 170.03 1b4r s GLN 84 N -2.44 1.83 0.31 1.54 0.74 -1.26 -0.98 119.66 119.40 1b4r s GLN 84 Ca 0.02 -2.52 -0.27 0.00 0.05 0.00 0.00 55.36 52.65 1b4r s GLN 84 Cb -0.05 -3.07 -0.10 0.00 1.10 0.00 0.00 33.01 30.89 1b4r s GLN 84 CO 0.00 -1.14 0.95 0.08 -0.55 0.00 0.00 175.29 174.64 1b4r s VAL 85 N -0.21 4.14 0.46 1.34 1.01 0.14 -4.68 120.40 122.61 1b4r s VAL 85 Ca 0.18 1.84 0.06 0.00 0.00 0.00 0.00 61.98 64.05 1b4r s VAL 85 Cb -0.24 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1b4r s VAL 85 CO -0.01 0.20 0.14 -1.61 0.00 0.00 0.00 175.10 173.82 1b4r s GLU 86 N -1.90 2.17 0.00 2.72 2.02 -0.33 -0.14 118.70 123.24 1b4r s GLU 86 Ca 0.49 -2.05 0.00 0.00 0.02 0.00 0.00 54.97 53.42 1b4r s GLU 86 Cb -0.20 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.20 1b4r s GLU 86 CO 0.26 -0.24 0.19 0.00 0.02 0.00 0.00 175.26 175.49