#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 3.59 -0.56 0.00 -1.32 0.15 -4.65 115.64 112.86 1b4r s THR 9 Ca 0.00 1.04 -0.21 0.00 -1.21 0.00 0.00 61.69 61.31 1b4r s THR 9 Cb 0.00 -3.44 0.06 0.00 -1.51 0.00 0.00 72.50 67.61 1b4r s THR 9 CO 0.00 -0.17 0.77 -0.76 -2.21 0.00 0.00 174.62 172.25 1b4r s LEU 10 N -3.41 4.73 -0.32 9.08 1.02 -1.26 -1.75 118.68 126.77 1b4r s LEU 10 Ca 0.67 -0.87 0.01 0.00 0.02 0.00 0.00 54.13 53.96 1b4r s LEU 10 Cb -0.20 -2.51 0.08 0.00 0.02 0.00 0.00 46.19 43.58 1b4r s LEU 10 CO 0.23 -1.10 0.02 -0.69 0.02 0.00 0.00 176.35 174.84 1b4r s VAL 11 N 3.19 2.65 -0.69 -1.59 1.01 -0.44 -5.01 120.40 119.53 1b4r s VAL 11 Ca 0.19 -1.83 0.05 0.00 0.00 0.00 0.00 61.98 60.39 1b4r s VAL 11 Cb -0.18 -2.70 0.22 0.00 0.00 0.00 0.00 36.38 33.72 1b4r s VAL 11 CO 0.12 -0.33 0.68 0.61 0.00 0.00 0.00 175.10 176.19 1b4r n GLY 12 N 4.47 4.52 3.79 4.51 0.00 -1.26 0.29 105.19 121.51 1b4r n GLY 12 Ca -0.07 -2.70 -0.34 0.00 0.00 0.00 0.00 46.02 42.92 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 -2.08 3.40 0.00 1.61 0.04 -0.81 -4.73 135.00 132.44 1b4r s PRO 13 Ca 0.34 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1b4r s PRO 13 Cb 0.07 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1b4r s PRO 13 CO -0.07 -0.76 0.00 1.58 0.04 0.00 0.00 177.00 177.79 1b4r n HIS 14 N -1.64 0.00 0.00 0.56 -0.00 -1.26 -1.65 115.22 111.23 1b4r n HIS 14 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1b4r n HIS 14 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 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 0.42 3.81 1.57 0.00 -1.26 -4.99 105.19 104.73 1b4r n GLY 15 Ca 0.00 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 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 4.12 -0.45 1.61 0.04 -1.26 -5.03 135.00 134.02 1b4r s PRO 16 Ca 0.00 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.32 1b4r s PRO 16 Cb 0.00 -2.24 0.12 0.00 0.04 0.00 0.00 34.50 32.42 1b4r s PRO 16 CO 0.00 -0.14 0.19 -0.51 0.04 0.00 0.00 177.00 176.58 1b4r s LEU 17 N -3.13 4.33 0.55 -3.56 1.43 -1.26 -5.03 118.68 112.01 1b4r s LEU 17 Ca 0.62 -2.70 -0.05 0.00 -1.03 0.00 0.00 54.13 50.98 1b4r s LEU 17 Cb -0.13 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1b4r s LEU 17 CO 0.17 -0.28 0.85 0.00 0.23 0.00 0.00 176.35 177.32 1b4r s ALA 18 N 0.15 3.38 -0.19 4.21 0.00 -1.26 -1.15 121.76 126.91 1b4r s ALA 18 Ca 0.15 -0.72 -0.38 0.00 0.00 0.00 0.00 51.96 51.01 1b4r s ALA 18 Cb -0.24 -2.53 -0.15 0.00 0.00 0.00 0.00 23.12 20.20 1b4r s ALA 18 CO -0.03 -0.67 1.74 0.45 0.00 0.00 0.00 175.76 177.25 1b4r n SER 19 N -2.46 2.61 -0.51 0.00 2.88 0.22 -2.39 113.62 113.96 1b4r n SER 19 Ca 0.03 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1b4r n SER 19 Cb 0.57 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 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 4.08 0.59 3.34 0.46 0.00 -0.50 -4.93 105.19 108.23 1b4r n GLY 20 Ca 0.25 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.18 1.29 -0.49 1.61 -1.52 0.90 -4.95 119.66 114.32 1b4r s GLN 21 Ca 0.00 -1.24 -0.07 0.00 -1.95 0.00 0.00 55.36 52.09 1b4r s GLN 21 Cb 0.00 -1.66 0.13 0.00 -0.22 0.00 0.00 33.01 31.25 1b4r s GLN 21 CO 0.00 0.39 0.34 -1.17 -0.25 0.00 0.00 175.29 174.61 1b4r s LEU 22 N -1.93 5.61 0.48 2.90 1.98 -1.26 -1.05 118.68 125.41 1b4r s LEU 22 Ca 0.10 -2.08 -0.15 0.00 -2.89 0.00 0.00 54.13 49.12 1b4r s LEU 22 Cb -0.10 -1.96 -0.07 0.00 0.66 0.00 0.00 46.19 44.71 1b4r s LEU 22 CO 0.05 -0.62 0.92 0.00 -1.89 0.00 0.00 176.35 174.80 1b4r s ALA 23 N 1.11 3.16 -0.18 5.97 0.00 0.83 -4.85 121.76 127.79 1b4r s ALA 23 Ca 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 1b4r s ALA 23 Cb -0.24 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1b4r s ALA 23 CO -0.02 -0.17 -0.16 0.00 0.00 0.00 0.00 175.76 175.41 1b4r s ALA 24 N -2.55 2.47 0.47 0.00 0.00 -0.66 0.39 121.76 121.88 1b4r s ALA 24 Ca 0.56 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 51.43 1b4r s ALA 24 Cb -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1b4r s ALA 24 CO 0.32 -0.29 0.39 -0.06 0.00 0.00 0.00 175.76 176.12 1b4r s PHE 25 N 1.21 2.24 -0.24 0.00 0.40 0.97 -1.92 117.98 120.64 1b4r s PHE 25 Ca 0.02 -0.64 -0.27 0.00 -0.60 0.00 0.00 56.93 55.44 1b4r s PHE 25 Cb -0.14 -2.07 0.14 0.00 0.51 0.00 0.00 43.02 41.47 1b4r s PHE 25 CO -0.07 -0.28 1.13 -3.38 0.70 0.00 0.00 175.22 173.31 1b4r s HIS 26 N -2.60 -0.32 0.23 0.36 -3.43 0.15 -1.29 115.29 108.38 1b4r s HIS 26 Ca 0.44 0.69 0.07 0.00 -0.80 0.00 0.00 55.06 55.46 1b4r s HIS 26 Cb -0.02 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 1b4r s HIS 26 CO 0.26 -0.21 0.10 0.42 -2.00 0.00 0.00 174.74 173.31 1b4r s ILE 27 N -0.40 4.07 -0.05 -5.38 -1.09 0.44 -1.33 121.20 117.46 1b4r s ILE 27 Ca 0.03 -1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 56.95 1b4r s ILE 27 Cb -0.03 -3.15 0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1b4r s ILE 27 CO -0.05 -0.28 0.01 0.00 -1.23 0.00 0.00 174.94 173.39 1b4r s ALA 28 N -2.06 0.52 0.00 9.38 0.00 -0.72 -4.79 121.76 124.10 1b4r s ALA 28 Ca 0.31 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1b4r s ALA 28 Cb -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.42 1b4r s ALA 28 CO 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 175.76 175.62 1b4r n ALA 29 N 4.93 0.00 -2.26 0.00 0.00 -1.26 0.31 120.51 122.23 1b4r n ALA 29 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 1b4r n ALA 29 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 2.59 -0.24 0.00 -0.04 -1.26 -4.84 135.00 131.21 1b4r n PRO 30 Ca 0.00 -2.89 -0.02 0.00 -0.04 0.00 0.00 63.50 60.56 1b4r n PRO 30 Cb 0.00 -3.51 0.01 0.00 -0.04 0.00 0.00 33.50 29.96 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 9.88 -0.44 -3.34 1.53 4.32 -1.26 -1.59 117.00 126.10 1b4r n LEU 31 Ca 0.48 1.09 -0.39 0.00 -0.02 0.00 0.00 56.01 57.18 1b4r n LEU 31 Cb 0.45 -0.23 -0.03 0.00 -1.62 0.00 0.00 43.42 41.99 1b4r n LEU 31 CO 0.77 -0.97 3.35 -0.81 -1.22 0.00 0.00 177.39 178.51 1b4r n PRO 32 N -4.90 3.62 -3.04 3.23 -0.04 -1.26 -4.96 135.00 127.65 1b4r n PRO 32 Ca 0.06 -2.22 -0.33 0.00 -0.04 0.00 0.00 63.50 60.97 1b4r n PRO 32 Cb 0.24 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 30.80 1b4r n PRO 32 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1b4r s VAL 33 N 2.27 4.57 0.00 0.52 1.01 -0.62 -4.85 120.40 123.31 1b4r s VAL 33 Ca 0.68 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1b4r s VAL 33 Cb 0.18 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1b4r s VAL 33 CO -0.06 -0.15 0.00 0.35 0.00 0.00 0.00 175.10 175.24 1b4r n THR 34 N -0.24 0.00 -3.69 3.92 -2.24 -1.26 -4.48 114.28 106.28 1b4r n THR 34 Ca 0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.70 1b4r n THR 34 Cb 0.53 -0.60 -0.09 0.00 -2.10 0.00 0.00 70.33 68.07 1b4r n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4r s ALA 35 N -1.89 -1.27 -0.02 6.98 0.00 -1.25 -1.15 121.76 123.16 1b4r s ALA 35 Ca 0.00 1.56 0.07 0.00 0.00 0.00 0.00 51.96 53.59 1b4r s ALA 35 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1b4r s ALA 35 CO 0.00 -0.26 -0.21 -0.08 0.00 0.00 0.00 175.76 175.21 1b4r s THR 36 N 0.71 1.68 -0.40 0.00 -1.32 -0.44 -1.50 115.64 114.38 1b4r s THR 36 Ca -0.04 -0.91 -0.08 0.00 -1.21 0.00 0.00 61.69 59.45 1b4r s THR 36 Cb -0.05 -1.40 0.07 0.00 -1.51 0.00 0.00 72.50 69.61 1b4r s THR 36 CO -0.05 0.47 0.22 -0.60 -2.21 0.00 0.00 174.62 172.45 1b4r s ARG 37 N -0.51 2.58 0.81 7.08 3.52 0.44 -0.47 118.95 132.40 1b4r s ARG 37 Ca 0.08 -1.40 -0.05 0.00 -0.13 0.00 0.00 55.73 54.24 1b4r s ARG 37 Cb -0.08 -3.69 0.17 0.00 -1.56 0.00 0.00 34.95 29.79 1b4r s ARG 37 CO -0.01 -0.88 1.11 -1.58 -0.81 0.00 0.00 175.30 173.13 1b4r s TRP 38 N 1.41 1.29 -0.29 5.12 0.52 0.82 -0.19 118.94 127.62 1b4r s TRP 38 Ca 0.02 -0.22 0.01 0.00 0.02 0.00 0.00 56.10 55.94 1b4r s TRP 38 Cb -0.22 -3.31 0.15 0.00 -1.15 0.00 0.00 33.47 28.94 1b4r s TRP 38 CO 0.02 -2.10 0.38 0.34 0.02 0.00 0.00 176.95 175.60 1b4r s ASP 39 N -4.84 0.74 -0.10 2.95 2.15 0.14 0.33 116.67 118.04 1b4r s ASP 39 Ca 0.70 -0.48 -0.01 0.00 0.43 0.00 0.00 52.55 53.20 1b4r s ASP 39 Cb -0.04 0.94 -0.01 0.00 -0.30 0.00 0.00 42.92 43.52 1b4r s ASP 39 CO 0.47 -0.36 0.02 -0.26 -0.17 0.00 0.00 175.17 174.87 1b4r h PHE 40 N 8.19 0.00 0.00 -5.34 0.04 -1.16 -2.41 116.94 116.26 1b4r h PHE 40 Ca -0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1b4r h PHE 40 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 1b4r h PHE 40 CO 0.27 0.02 0.00 0.41 -0.60 0.00 0.00 178.31 178.41 1b4r n GLY 41 N 1.78 0.72 0.00 -1.45 0.00 -0.52 -4.27 105.19 101.45 1b4r n GLY 41 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.69 0.00 0.17 1.61 5.68 -1.26 -4.85 116.55 118.58 1b4r n ASP 42 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 1b4r n ASP 42 Cb 0.00 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 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 -6.22 6.12 0.00 -1.96 -3.44 103.07 97.58 1b4r h GLY 43 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1b4r h GLY 43 CO 0.00 0.00 -0.77 -1.35 0.00 0.00 0.00 176.54 174.42 1b4r s SER 44 N -6.08 0.90 0.00 0.19 1.04 -1.26 -5.09 113.70 103.40 1b4r s SER 44 Ca 0.04 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1b4r s SER 44 Cb 0.07 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1b4r s SER 44 CO 0.72 -0.05 0.00 0.00 0.98 0.00 0.00 173.24 174.89 1b4r n ALA 45 N 4.03 0.00 -1.70 5.32 0.00 -1.26 -1.44 120.51 125.45 1b4r n ALA 45 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 1b4r n ALA 45 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.02 1b4r n ALA 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1b4r n GLU 46 N -0.32 1.16 -3.74 0.00 4.71 -1.26 -1.06 120.64 120.12 1b4r n GLU 46 Ca 0.00 0.45 -0.21 0.00 -0.01 0.00 0.00 57.16 57.39 1b4r n GLU 46 Cb 0.00 -2.46 -0.18 0.00 -1.01 0.00 0.00 31.44 27.80 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1b4r s VAL 47 N -1.40 0.14 -0.57 2.62 1.01 0.15 -4.77 120.40 117.59 1b4r s VAL 47 Ca 0.79 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.91 1b4r s VAL 47 Cb -0.40 -0.34 0.14 0.00 0.00 0.00 0.00 36.38 35.79 1b4r s VAL 47 CO 0.43 0.21 0.48 -1.81 0.00 0.00 0.00 175.10 174.41 1b4r s ASP 48 N 1.96 5.99 0.36 3.32 1.01 -1.26 -0.13 116.67 127.92 1b4r s ASP 48 Ca 0.03 -2.11 0.08 0.00 0.71 0.00 0.00 52.55 51.26 1b4r s ASP 48 Cb -0.12 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 1b4r s ASP 48 CO -0.04 -0.69 0.27 0.00 0.21 0.00 0.00 175.17 174.93 1b4r s ALA 49 N 1.07 3.80 0.15 5.23 0.00 0.39 -4.99 121.76 127.41 1b4r s ALA 49 Ca 0.08 -1.76 0.02 0.00 0.00 0.00 0.00 51.96 50.30 1b4r s ALA 49 Cb -0.24 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1b4r s ALA 49 CO -0.01 -0.04 0.29 0.00 0.00 0.00 0.00 175.76 175.99 1b4r s ALA 50 N -2.38 3.95 0.00 0.00 0.00 -1.25 -1.32 121.76 120.76 1b4r s ALA 50 Ca 0.42 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1b4r s ALA 50 Cb -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1b4r s ALA 50 CO 0.26 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.97 1b4r n GLY 51 N -0.51 0.75 1.94 0.00 0.00 -0.30 -2.01 105.19 105.05 1b4r n GLY 51 Ca -0.07 -0.75 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 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 1.85 -3.95 1.61 -0.04 -1.26 -2.95 135.00 130.25 1b4r n PRO 52 Ca 0.00 -1.61 -0.09 0.00 -0.04 0.00 0.00 63.50 61.76 1b4r n PRO 52 Cb 0.00 -1.65 -0.09 0.00 -0.04 0.00 0.00 33.50 31.72 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 -1.80 0.02 0.00 0.55 0.00 -0.85 -0.42 121.76 119.26 1b4r s ALA 53 Ca 0.33 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1b4r s ALA 53 Cb 0.25 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1b4r s ALA 53 CO -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 175.76 175.39 1b4r n ALA 54 N 0.55 0.00 -3.45 0.00 0.00 -0.41 -3.74 120.51 113.45 1b4r n ALA 54 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1b4r n ALA 54 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.31 -0.57 -0.03 0.00 1.04 -1.26 -0.02 113.70 112.55 1b4r s SER 55 Ca 0.00 1.03 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 1b4r s SER 55 Cb 0.00 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 67.12 1b4r s SER 55 CO 0.00 -0.24 0.24 -1.00 0.98 0.00 0.00 173.24 173.22 1b4r s HIS 56 N 0.08 3.60 -0.59 5.02 3.76 0.16 -4.86 115.29 122.46 1b4r s HIS 56 Ca -0.02 0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 55.47 1b4r s HIS 56 Cb -0.04 -2.00 0.15 0.00 1.11 0.00 0.00 32.58 31.81 1b4r s HIS 56 CO 0.02 0.66 0.39 -0.98 -0.85 0.00 0.00 174.74 173.97 1b4r s ARG 57 N -1.48 2.40 -0.24 1.40 1.70 -1.26 -0.12 118.95 121.35 1b4r s ARG 57 Ca 0.23 -2.55 -0.16 0.00 -0.47 0.00 0.00 55.73 52.78 1b4r s ARG 57 Cb -0.13 -3.62 -0.04 0.00 -0.57 0.00 0.00 34.95 30.60 1b4r s ARG 57 CO 0.12 -1.15 0.42 0.71 -1.08 0.00 0.00 175.30 174.33 1b4r s TYR 58 N -0.11 3.31 -0.03 5.89 2.02 -0.22 -3.96 117.35 124.25 1b4r s TYR 58 Ca 0.17 0.56 0.04 0.00 -0.37 0.00 0.00 57.07 57.47 1b4r s TYR 58 Cb -0.22 -2.59 -0.06 0.00 -0.40 0.00 0.00 41.96 38.69 1b4r s TYR 58 CO -0.03 -0.15 0.05 1.33 -1.57 0.00 0.00 175.55 175.18 1b4r n VAL 59 N 4.79 0.17 -3.80 0.71 0.24 -1.26 -0.07 118.33 119.12 1b4r n VAL 59 Ca -0.07 -0.15 -0.33 0.00 -2.04 0.00 0.00 64.34 61.74 1b4r n VAL 59 Cb 0.51 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.45 1b4r n VAL 59 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1b4r s LEU 60 N -3.92 4.35 -0.11 1.34 0.20 -1.26 -3.19 118.68 116.10 1b4r s LEU 60 Ca -0.02 0.49 -0.30 0.00 0.69 0.00 0.00 54.13 54.99 1b4r s LEU 60 Cb 0.02 -2.79 -0.02 0.00 -0.43 0.00 0.00 46.19 42.98 1b4r s LEU 60 CO 0.18 0.22 1.14 -2.16 -0.29 0.00 0.00 176.35 175.44 1b4r s PRO 61 N -2.01 4.34 0.00 0.98 0.04 -1.26 -4.82 135.00 132.27 1b4r s PRO 61 Ca 0.30 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1b4r s PRO 61 Cb -0.13 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1b4r s PRO 61 CO 0.19 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1b4r n GLY 62 N 3.33 -0.95 3.52 0.56 0.00 0.24 -4.98 105.19 106.90 1b4r n GLY 62 Ca 0.11 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 1b4r n GLY 62 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b4r s ARG 63 N -2.00 3.80 0.25 1.61 3.00 -1.26 -0.29 118.95 124.07 1b4r s ARG 63 Ca 0.00 -0.41 0.05 0.00 -1.00 0.00 0.00 55.73 54.38 1b4r s ARG 63 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 34.95 31.52 1b4r s ARG 63 CO 0.00 -0.11 0.37 0.71 0.00 0.00 0.00 175.30 176.28 1b4r s TYR 64 N 1.44 3.39 -0.19 5.12 1.51 0.13 -4.90 117.35 123.85 1b4r s TYR 64 Ca 0.06 -0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1b4r s TYR 64 Cb -0.15 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1b4r s TYR 64 CO 0.05 0.38 -0.11 -1.58 -1.11 0.00 0.00 175.55 173.18 1b4r s HIS 65 N -2.01 2.86 0.10 2.71 2.46 -1.26 -1.46 115.29 118.69 1b4r s HIS 65 Ca 0.36 -1.13 0.02 0.00 0.47 0.00 0.00 55.06 54.78 1b4r s HIS 65 Cb -0.09 -1.99 -0.04 0.00 -0.13 0.00 0.00 32.58 30.33 1b4r s HIS 65 CO 0.29 -0.58 0.16 0.08 -2.47 0.00 0.00 174.74 172.23 1b4r s VAL 66 N 1.20 4.93 0.11 0.89 1.01 0.17 -4.56 120.40 124.16 1b4r s VAL 66 Ca 0.02 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 1b4r s VAL 66 Cb -0.14 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1b4r s VAL 66 CO -0.05 0.06 0.31 0.42 0.00 0.00 0.00 175.10 175.84 1b4r s THR 67 N -1.54 0.10 0.09 3.92 -4.23 -0.91 0.28 115.64 113.36 1b4r s THR 67 Ca 0.32 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.80 1b4r s THR 67 Cb -0.12 -1.26 0.03 0.00 1.34 0.00 0.00 72.50 72.49 1b4r s THR 67 CO 0.25 -0.46 0.40 0.00 -0.54 0.00 0.00 174.62 174.27 1b4r s ALA 68 N -3.83 -0.94 -0.23 3.99 0.00 -0.51 0.28 121.76 120.52 1b4r s ALA 68 Ca 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1b4r s ALA 68 Cb 0.03 0.55 0.11 0.00 0.00 0.00 0.00 23.12 23.82 1b4r s ALA 68 CO -0.11 -0.57 0.28 0.54 0.00 0.00 0.00 175.76 175.90 1b4r s VAL 69 N -3.29 -0.41 0.23 0.00 0.11 0.73 0.48 120.40 118.24 1b4r s VAL 69 Ca -0.00 -0.19 -0.13 0.00 -2.93 0.00 0.00 61.98 58.73 1b4r s VAL 69 Cb 0.01 -0.78 -0.08 0.00 -1.53 0.00 0.00 36.38 34.00 1b4r s VAL 69 CO -0.08 -0.24 0.61 -0.76 -3.33 0.00 0.00 175.10 171.29 1b4r s LEU 70 N 2.39 4.21 -0.18 2.54 1.43 -0.47 -0.42 118.68 128.18 1b4r s LEU 70 Ca 0.09 1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 54.29 1b4r s LEU 70 Cb -0.15 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.47 1b4r s LEU 70 CO -0.18 -0.04 -0.05 0.00 0.23 0.00 0.00 176.35 176.31 1b4r s ALA 71 N -1.72 1.57 -0.62 4.21 0.00 -0.56 -3.02 121.76 121.62 1b4r s ALA 71 Ca 0.46 -0.94 0.18 0.00 0.00 0.00 0.00 51.96 51.65 1b4r s ALA 71 Cb -0.13 -1.19 -0.21 0.00 0.00 0.00 0.00 23.12 21.58 1b4r s ALA 71 CO 0.20 -0.89 0.66 1.28 0.00 0.00 0.00 175.76 177.01 1b4r n LEU 72 N 4.84 0.62 0.00 0.00 4.32 -0.24 -3.92 117.00 122.61 1b4r n LEU 72 Ca -0.12 -0.37 0.00 0.00 -0.02 0.00 0.00 56.01 55.50 1b4r n LEU 72 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1b4r n LEU 72 CO 0.17 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1b4r n GLY 73 N 1.43 3.26 0.08 -0.72 0.00 -1.26 -4.65 105.19 103.32 1b4r n GLY 73 Ca 0.02 -0.91 0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.38 4.61 0.00 -1.26 -5.04 120.51 118.96 1b4r n ALA 74 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.06 1b4r n ALA 74 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.96 0.31 0.29 0.00 0.00 -1.26 -5.17 107.32 100.53 1b4r s GLY 75 Ca 0.03 -0.90 -0.10 0.00 0.00 0.00 0.00 44.72 43.76 1b4r s GLY 75 CO 0.12 -1.02 0.49 -1.35 0.00 0.00 0.00 173.10 171.34 1b4r s SER 76 N -2.90 0.22 -0.15 1.64 1.04 -1.26 -1.08 113.70 111.21 1b4r s SER 76 Ca 0.08 -1.13 -0.08 0.00 0.48 0.00 0.00 55.95 55.30 1b4r s SER 76 Cb 0.06 0.63 0.06 0.00 0.10 0.00 0.00 66.02 66.86 1b4r s SER 76 CO -0.09 -1.23 0.36 0.00 0.98 0.00 0.00 173.24 173.26 1b4r s ALA 77 N -3.58 -0.89 -0.02 5.32 0.00 -1.17 -4.81 121.76 116.61 1b4r s ALA 77 Ca 0.25 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.43 1b4r s ALA 77 Cb -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 1b4r s ALA 77 CO 0.13 -0.26 0.37 -1.17 0.00 0.00 0.00 175.76 174.82 1b4r s LEU 78 N 1.40 4.46 0.15 0.00 0.20 -1.26 -1.36 118.68 122.28 1b4r s LEU 78 Ca -0.09 0.89 0.08 0.00 0.69 0.00 0.00 54.13 55.70 1b4r s LEU 78 Cb -0.09 -2.51 -0.04 0.00 -0.43 0.00 0.00 46.19 43.12 1b4r s LEU 78 CO -0.11 0.34 -0.17 -0.76 -0.29 0.00 0.00 176.35 175.36 1b4r s LEU 79 N -1.07 2.43 -0.42 -0.68 2.01 0.18 -3.80 118.68 117.33 1b4r s LEU 79 Ca 0.22 -0.86 0.05 0.00 0.01 0.00 0.00 54.13 53.56 1b4r s LEU 79 Cb -0.16 -0.75 0.19 0.00 0.01 0.00 0.00 46.19 45.48 1b4r s LEU 79 CO 0.12 -0.07 0.73 -0.83 1.01 0.00 0.00 176.35 177.31 1b4r s GLY 80 N -2.64 -1.33 0.33 -3.19 0.00 -1.25 -1.42 107.32 97.81 1b4r s GLY 80 Ca 0.14 0.21 0.04 0.00 0.00 0.00 0.00 44.72 45.11 1b4r s GLY 80 CO 0.06 3.77 0.34 -1.30 0.00 0.00 0.00 173.10 175.97 1b4r n THR 81 N 3.88 0.00 -3.73 0.90 -2.24 0.14 -4.89 114.28 108.35 1b4r n THR 81 Ca 0.12 -1.20 -0.14 0.00 -2.27 0.00 0.00 64.05 60.57 1b4r n THR 81 Cb 0.58 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.27 1b4r n THR 81 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1b4r s ASP 82 N -2.96 -0.31 0.00 3.42 1.01 -1.26 0.44 116.67 117.01 1b4r s ASP 82 Ca 0.26 0.39 0.04 0.00 0.71 0.00 0.00 52.55 53.94 1b4r s ASP 82 Cb -0.02 0.50 -0.01 0.00 1.01 0.00 0.00 42.92 44.40 1b4r s ASP 82 CO 0.16 -0.35 -0.11 0.54 0.21 0.00 0.00 175.17 175.62 1b4r s VAL 83 N -0.78 0.87 -0.78 -1.27 0.11 -0.53 -4.92 120.40 113.10 1b4r s VAL 83 Ca -0.09 -0.58 -0.10 0.00 -2.93 0.00 0.00 61.98 58.29 1b4r s VAL 83 Cb -0.04 -0.75 0.20 0.00 -1.53 0.00 0.00 36.38 34.26 1b4r s VAL 83 CO 0.03 0.17 0.68 -1.58 -3.33 0.00 0.00 175.10 171.07 1b4r s GLN 84 N -0.47 3.29 0.06 1.54 0.74 -1.26 -0.69 119.66 122.87 1b4r s GLN 84 Ca 0.03 -2.55 -0.28 0.00 0.05 0.00 0.00 55.36 52.61 1b4r s GLN 84 Cb -0.05 -4.20 -0.05 0.00 1.10 0.00 0.00 33.01 29.81 1b4r s GLN 84 CO -0.00 -1.25 0.88 0.08 -0.55 0.00 0.00 175.29 174.45 1b4r s VAL 85 N -0.04 4.66 0.00 1.34 1.01 0.61 -4.68 120.40 123.30 1b4r s VAL 85 Ca 0.19 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1b4r s VAL 85 Cb -0.13 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1b4r s VAL 85 CO -0.07 0.31 0.00 -1.84 0.00 0.00 0.00 175.10 173.50 1b4r n GLU 86 N 2.98 3.80 0.00 2.72 0.28 -0.30 -0.60 120.64 129.52 1b4r n GLU 86 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1b4r n GLU 86 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97