#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 3.19 -0.46 0.00 -1.32 0.13 -4.61 115.64 112.58 1b4r s THR 9 Ca 0.00 0.76 -0.26 0.00 -1.21 0.00 0.00 61.69 60.98 1b4r s THR 9 Cb 0.00 -3.32 0.03 0.00 -1.51 0.00 0.00 72.50 67.70 1b4r s THR 9 CO 0.00 -0.14 0.98 -0.76 -2.21 0.00 0.00 174.62 172.50 1b4r s LEU 10 N -3.67 3.90 -0.31 9.08 1.02 -1.26 -1.67 118.68 125.77 1b4r s LEU 10 Ca 0.71 0.25 0.02 0.00 0.02 0.00 0.00 54.13 55.14 1b4r s LEU 10 Cb -0.24 -3.30 0.09 0.00 0.02 0.00 0.00 46.19 42.76 1b4r s LEU 10 CO 0.28 -1.09 0.05 -0.69 0.02 0.00 0.00 176.35 174.91 1b4r s VAL 11 N 3.93 1.72 -0.75 -1.59 1.01 -0.22 -4.99 120.40 119.50 1b4r s VAL 11 Ca 0.40 -1.88 0.03 0.00 0.00 0.00 0.00 61.98 60.54 1b4r s VAL 11 Cb -0.09 -2.23 0.22 0.00 0.00 0.00 0.00 36.38 34.27 1b4r s VAL 11 CO 0.27 -0.55 0.70 0.61 0.00 0.00 0.00 175.10 176.13 1b4r n GLY 12 N 4.50 4.39 3.79 4.51 0.00 -1.26 0.67 105.19 121.78 1b4r n GLY 12 Ca -0.00 -2.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.01 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 -1.88 3.66 0.00 1.61 0.04 -0.68 -4.80 135.00 132.94 1b4r s PRO 13 Ca 0.31 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1b4r s PRO 13 Cb 0.02 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1b4r s PRO 13 CO -0.09 -0.57 0.00 0.72 0.04 0.00 0.00 177.00 177.10 1b4r n HIS 14 N -1.03 0.00 0.00 0.56 8.25 -1.26 -1.85 115.22 119.89 1b4r n HIS 14 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1b4r n HIS 14 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1b4r n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b4r n GLY 15 N -1.39 0.66 3.81 -1.41 0.00 -1.26 -5.00 105.19 100.60 1b4r n GLY 15 Ca 0.00 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 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 3.96 -0.98 1.61 0.04 -1.26 -4.99 135.00 133.38 1b4r s PRO 16 Ca 0.00 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 1b4r s PRO 16 Cb 0.00 -2.13 0.25 0.00 0.04 0.00 0.00 34.50 32.66 1b4r s PRO 16 CO 0.00 -0.28 0.95 -0.51 0.04 0.00 0.00 177.00 177.20 1b4r s LEU 17 N -3.38 6.52 0.69 -3.56 2.01 -1.26 -4.96 118.68 114.74 1b4r s LEU 17 Ca 0.65 -3.14 -0.09 0.00 0.01 0.00 0.00 54.13 51.55 1b4r s LEU 17 Cb -0.13 -2.21 0.03 0.00 0.01 0.00 0.00 46.19 43.88 1b4r s LEU 17 CO 0.17 -0.44 1.05 0.00 1.01 0.00 0.00 176.35 178.15 1b4r s ALA 18 N -0.51 2.99 -0.15 4.21 0.00 -1.26 -1.07 121.76 125.97 1b4r s ALA 18 Ca 0.25 -0.56 -0.34 0.00 0.00 0.00 0.00 51.96 51.31 1b4r s ALA 18 Cb -0.10 -2.85 -0.11 0.00 0.00 0.00 0.00 23.12 20.06 1b4r s ALA 18 CO -0.08 -1.16 1.97 0.45 0.00 0.00 0.00 175.76 176.94 1b4r n SER 19 N -2.93 3.20 -0.39 0.00 2.88 0.18 -1.56 113.62 115.01 1b4r n SER 19 Ca 0.07 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1b4r n SER 19 Cb 0.58 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 4.90 0.81 3.56 0.46 0.00 0.69 -4.93 105.19 110.69 1b4r n GLY 20 Ca 0.26 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1b4r n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b4r s GLN 21 N -2.64 2.35 -0.63 1.61 2.00 0.28 -4.94 119.66 117.69 1b4r s GLN 21 Ca 0.00 -0.85 -0.09 0.00 -2.00 0.00 0.00 55.36 52.42 1b4r s GLN 21 Cb 0.00 -2.39 0.16 0.00 0.80 0.00 0.00 33.01 31.59 1b4r s GLN 21 CO 0.00 0.56 0.51 -1.17 -0.50 0.00 0.00 175.29 174.69 1b4r s LEU 22 N -1.62 5.87 0.65 3.68 1.98 -1.26 -1.41 118.68 126.58 1b4r s LEU 22 Ca 0.18 -2.45 -0.12 0.00 -2.89 0.00 0.00 54.13 48.85 1b4r s LEU 22 Cb -0.11 -2.02 -0.02 0.00 0.66 0.00 0.00 46.19 44.70 1b4r s LEU 22 CO 0.09 -0.56 1.04 0.00 -1.89 0.00 0.00 176.35 175.04 1b4r s ALA 23 N 0.54 2.85 -0.18 5.97 0.00 0.42 -4.78 121.76 126.58 1b4r s ALA 23 Ca 0.13 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1b4r s ALA 23 Cb -0.20 -3.15 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1b4r s ALA 23 CO -0.04 -0.94 -0.16 0.00 0.00 0.00 0.00 175.76 174.62 1b4r s ALA 24 N -3.00 2.21 0.50 0.00 0.00 -0.77 0.17 121.76 120.87 1b4r s ALA 24 Ca 0.58 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 51.41 1b4r s ALA 24 Cb -0.13 -1.21 0.03 0.00 0.00 0.00 0.00 23.12 21.81 1b4r s ALA 24 CO 0.51 -0.51 0.56 -0.06 0.00 0.00 0.00 175.76 176.25 1b4r s PHE 25 N 1.33 2.07 -0.24 0.00 0.40 0.15 -1.69 117.98 120.00 1b4r s PHE 25 Ca 0.03 -0.63 -0.29 0.00 -0.60 0.00 0.00 56.93 55.44 1b4r s PHE 25 Cb -0.14 -2.17 0.17 0.00 0.51 0.00 0.00 43.02 41.39 1b4r s PHE 25 CO -0.11 -0.59 1.22 -3.38 0.70 0.00 0.00 175.22 173.06 1b4r s HIS 26 N -2.58 -0.17 0.21 0.36 -3.43 0.21 -1.49 115.29 108.41 1b4r s HIS 26 Ca 0.51 0.30 0.09 0.00 -0.80 0.00 0.00 55.06 55.16 1b4r s HIS 26 Cb -0.05 0.48 -0.04 0.00 -1.43 0.00 0.00 32.58 31.53 1b4r s HIS 26 CO 0.31 -0.15 -0.07 0.42 -2.00 0.00 0.00 174.74 173.25 1b4r s ILE 27 N -0.99 3.27 -0.10 -5.38 -1.09 0.87 -1.06 121.20 116.72 1b4r s ILE 27 Ca 0.05 -1.75 -0.00 0.00 -2.23 0.00 0.00 60.65 56.72 1b4r s ILE 27 Cb -0.01 -2.67 0.02 0.00 -1.58 0.00 0.00 42.46 38.23 1b4r s ILE 27 CO -0.05 -0.20 -0.07 0.00 -1.23 0.00 0.00 174.94 173.39 1b4r s ALA 28 N -1.93 1.27 0.00 9.38 0.00 -0.67 -4.81 121.76 125.00 1b4r s ALA 28 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1b4r s ALA 28 Cb -0.08 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1b4r s ALA 28 CO 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 175.76 175.57 1b4r n ALA 29 N 4.83 0.00 -2.33 0.00 0.00 -1.26 0.22 120.51 121.97 1b4r n ALA 29 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 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 2.71 -0.35 0.00 -0.04 -1.26 -4.82 135.00 131.24 1b4r n PRO 30 Ca 0.00 -2.97 0.05 0.00 -0.04 0.00 0.00 63.50 60.54 1b4r n PRO 30 Cb 0.00 -3.52 0.13 0.00 -0.04 0.00 0.00 33.50 30.07 1b4r n PRO 30 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1b4r h LEU 31 N 13.70 -0.95 -5.07 1.53 3.38 -1.96 -2.27 115.31 123.68 1b4r h LEU 31 Ca 0.40 0.29 -0.68 0.00 0.09 0.00 0.00 57.88 57.99 1b4r h LEU 31 Cb 0.86 0.62 0.01 0.00 0.09 0.00 0.00 40.66 42.24 1b4r h LEU 31 CO 1.45 -0.32 3.73 -0.81 0.09 0.00 0.00 178.44 182.58 1b4r n PRO 32 N -5.60 3.79 -3.41 1.13 -0.04 -1.26 -4.94 135.00 124.67 1b4r n PRO 32 Ca 0.15 -2.32 -0.33 0.00 -0.04 0.00 0.00 63.50 60.95 1b4r n PRO 32 Cb 0.48 -2.79 -0.05 0.00 -0.04 0.00 0.00 33.50 31.10 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 1.85 4.92 -0.06 0.52 1.01 -0.86 -4.92 120.40 122.86 1b4r s VAL 33 Ca 0.68 0.59 0.05 0.00 0.00 0.00 0.00 61.98 63.31 1b4r s VAL 33 Cb 0.18 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1b4r s VAL 33 CO -0.06 0.07 0.02 1.07 0.00 0.00 0.00 175.10 176.19 1b4r n THR 34 N 0.28 0.41 -3.62 3.92 5.66 -1.26 -4.34 114.28 115.33 1b4r n THR 34 Ca -0.02 -0.25 -0.15 0.00 -3.05 0.00 0.00 64.05 60.58 1b4r n THR 34 Cb 0.52 -0.84 -0.07 0.00 -1.55 0.00 0.00 70.33 68.39 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 -2.14 -1.53 0.16 1.79 0.00 -1.26 -1.30 121.76 117.48 1b4r s ALA 35 Ca -0.03 1.41 0.06 0.00 0.00 0.00 0.00 51.96 53.40 1b4r s ALA 35 Cb 0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1b4r s ALA 35 CO 0.24 -0.32 -0.13 -0.08 0.00 0.00 0.00 175.76 175.47 1b4r s THR 36 N -0.46 1.42 -0.32 0.00 -1.32 -0.53 -1.53 115.64 112.90 1b4r s THR 36 Ca -0.06 -2.04 0.03 0.00 -1.21 0.00 0.00 61.69 58.41 1b4r s THR 36 Cb -0.03 -1.85 0.09 0.00 -1.51 0.00 0.00 72.50 69.21 1b4r s THR 36 CO 0.05 -0.61 0.04 -0.13 -2.21 0.00 0.00 174.62 171.75 1b4r s ARG 37 N -3.45 1.38 0.79 7.08 0.52 0.14 -1.13 118.95 124.28 1b4r s ARG 37 Ca 0.17 -1.58 -0.04 0.00 -0.52 0.00 0.00 55.73 53.75 1b4r s ARG 37 Cb -0.00 -2.86 0.15 0.00 0.52 0.00 0.00 34.95 32.76 1b4r s ARG 37 CO 0.03 -0.89 1.09 -1.58 0.02 0.00 0.00 175.30 173.97 1b4r s TRP 38 N 1.12 1.44 -0.28 -0.53 0.52 0.51 0.26 118.94 121.98 1b4r s TRP 38 Ca 0.08 -0.18 0.00 0.00 0.02 0.00 0.00 56.10 56.02 1b4r s TRP 38 Cb -0.19 -3.27 0.15 0.00 -1.15 0.00 0.00 33.47 29.01 1b4r s TRP 38 CO -0.11 -2.01 0.36 -0.51 0.02 0.00 0.00 176.95 174.70 1b4r s ASP 39 N -4.80 0.76 -0.10 2.95 1.01 0.14 0.49 116.67 117.12 1b4r s ASP 39 Ca 0.69 -0.37 -0.01 0.00 0.71 0.00 0.00 52.55 53.58 1b4r s ASP 39 Cb -0.04 0.91 -0.00 0.00 1.01 0.00 0.00 42.92 44.80 1b4r s ASP 39 CO 0.47 -0.35 0.03 -0.26 0.21 0.00 0.00 175.17 175.26 1b4r h PHE 40 N 8.20 -0.02 0.00 4.23 0.04 -1.14 -2.47 116.94 125.78 1b4r h PHE 40 Ca -0.12 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.65 1b4r h PHE 40 Cb 1.12 0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1b4r h PHE 40 CO 0.24 -0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.35 1b4r n GLY 41 N 1.72 0.73 0.00 -1.45 0.00 -0.55 -4.26 105.19 101.38 1b4r n GLY 41 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 0.74 0.00 0.17 1.61 5.68 -1.26 -4.86 116.55 118.63 1b4r n ASP 42 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 1b4r n ASP 42 Cb 0.00 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.08 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 -6.27 6.12 0.00 -1.96 -3.44 103.07 97.52 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 -5.92 0.69 0.00 0.19 1.04 -1.26 -5.09 113.70 103.35 1b4r s SER 44 Ca 0.04 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1b4r s SER 44 Cb 0.07 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1b4r s SER 44 CO 0.72 -0.07 0.00 0.00 0.98 0.00 0.00 173.24 174.87 1b4r n ALA 45 N 4.05 0.00 -1.45 5.32 0.00 -1.26 -1.48 120.51 125.68 1b4r n ALA 45 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 1b4r n ALA 45 Cb 0.51 0.00 0.08 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 -0.27 0.64 -3.69 0.00 0.00 -1.26 -1.02 120.64 115.04 1b4r n GLU 46 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 57.16 57.25 1b4r n GLU 46 Cb 0.00 -2.21 -0.17 0.00 0.00 0.00 0.00 31.44 29.06 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1b4r s VAL 47 N -1.71 -0.13 -0.40 3.84 1.01 0.18 -4.74 120.40 118.45 1b4r s VAL 47 Ca 0.75 0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 1b4r s VAL 47 Cb -0.37 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 35.89 1b4r s VAL 47 CO 0.49 0.16 0.25 -1.81 0.00 0.00 0.00 175.10 174.18 1b4r s ASP 48 N 1.99 5.76 0.41 3.32 1.01 -1.26 -0.36 116.67 127.54 1b4r s ASP 48 Ca 0.02 -1.20 0.06 0.00 0.71 0.00 0.00 52.55 52.14 1b4r s ASP 48 Cb -0.12 -2.03 -0.07 0.00 1.01 0.00 0.00 42.92 41.70 1b4r s ASP 48 CO -0.04 -0.47 0.02 0.00 0.21 0.00 0.00 175.17 174.89 1b4r s ALA 49 N 1.52 3.17 0.11 5.23 0.00 -0.28 -4.99 121.76 126.52 1b4r s ALA 49 Ca 0.02 -2.09 0.01 0.00 0.00 0.00 0.00 51.96 49.90 1b4r s ALA 49 Cb -0.21 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1b4r s ALA 49 CO 0.05 -0.13 0.26 0.00 0.00 0.00 0.00 175.76 175.94 1b4r s ALA 50 N -2.80 3.97 0.00 0.00 0.00 -1.25 -1.45 121.76 120.23 1b4r s ALA 50 Ca 0.32 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1b4r s ALA 50 Cb 0.09 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1b4r s ALA 50 CO 0.16 0.67 0.00 0.41 0.00 0.00 0.00 175.76 177.00 1b4r n GLY 51 N -0.14 0.75 1.91 0.00 0.00 -0.42 -1.97 105.19 105.32 1b4r n GLY 51 Ca -0.06 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 1.79 -4.06 1.61 -0.04 -1.26 -2.82 135.00 130.22 1b4r n PRO 52 Ca 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 63.50 61.88 1b4r n PRO 52 Cb 0.00 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 31.74 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 -1.66 0.42 0.00 0.55 0.00 -0.83 -0.09 121.76 120.15 1b4r s ALA 53 Ca 0.31 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1b4r s ALA 53 Cb 0.24 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1b4r s ALA 53 CO -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 175.76 175.42 1b4r n ALA 54 N 0.47 0.00 -2.78 0.00 0.00 -0.55 -3.80 120.51 113.85 1b4r n ALA 54 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 1b4r n ALA 54 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1b4r n ALA 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1b4r s SER 55 N -0.30 0.73 -0.03 0.00 0.01 -1.26 0.35 113.70 113.19 1b4r s SER 55 Ca 0.00 -1.41 0.02 0.00 1.31 0.00 0.00 55.95 55.87 1b4r s SER 55 Cb 0.00 0.60 0.01 0.00 0.21 0.00 0.00 66.02 66.84 1b4r s SER 55 CO 0.00 -1.19 -0.06 -1.00 0.41 0.00 0.00 173.24 171.40 1b4r s HIS 56 N -3.40 0.77 -0.73 2.43 3.76 0.13 -4.75 115.29 113.49 1b4r s HIS 56 Ca 0.31 -0.20 -0.07 0.00 -0.15 0.00 0.00 55.06 54.95 1b4r s HIS 56 Cb 0.01 -0.62 0.19 0.00 1.11 0.00 0.00 32.58 33.27 1b4r s HIS 56 CO 0.18 -0.14 0.60 -0.98 -0.85 0.00 0.00 174.74 173.56 1b4r s ARG 57 N 0.55 3.04 -0.17 1.40 3.03 -1.26 -0.44 118.95 125.11 1b4r s ARG 57 Ca -0.08 -2.59 -0.18 0.00 2.03 0.00 0.00 55.73 54.91 1b4r s ARG 57 Cb -0.11 -4.02 -0.04 0.00 -1.03 0.00 0.00 34.95 29.75 1b4r s ARG 57 CO 0.00 -1.23 0.47 0.71 -1.13 0.00 0.00 175.30 174.13 1b4r s TYR 58 N -0.13 3.43 -0.05 5.89 2.02 -0.50 -4.11 117.35 123.90 1b4r s TYR 58 Ca 0.19 0.78 0.05 0.00 -0.37 0.00 0.00 57.07 57.72 1b4r s TYR 58 Cb -0.15 -2.59 -0.07 0.00 -0.40 0.00 0.00 41.96 38.75 1b4r s TYR 58 CO -0.06 0.03 0.04 1.55 -1.57 0.00 0.00 175.55 175.54 1b4r n VAL 59 N 4.14 0.32 -3.83 0.71 3.14 -1.26 -0.22 118.33 121.33 1b4r n VAL 59 Ca -0.07 -0.22 -0.34 0.00 -2.96 0.00 0.00 64.34 60.75 1b4r n VAL 59 Cb 0.51 -0.66 -0.05 0.00 -1.06 0.00 0.00 33.84 32.58 1b4r n VAL 59 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1b4r s LEU 60 N -4.26 4.36 -0.21 6.55 0.20 -1.26 -3.29 118.68 120.77 1b4r s LEU 60 Ca -0.03 0.45 -0.29 0.00 0.69 0.00 0.00 54.13 54.95 1b4r s LEU 60 Cb 0.02 -2.70 -0.00 0.00 -0.43 0.00 0.00 46.19 43.08 1b4r s LEU 60 CO 0.23 0.24 1.17 -2.16 -0.29 0.00 0.00 176.35 175.55 1b4r s PRO 61 N -1.93 4.20 0.00 0.98 0.04 -1.26 -4.77 135.00 132.26 1b4r s PRO 61 Ca 0.29 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1b4r s PRO 61 Cb -0.13 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.68 1b4r s PRO 61 CO 0.18 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.90 1b4r n GLY 62 N 3.59 -0.68 3.55 0.56 0.00 0.85 -4.95 105.19 108.11 1b4r n GLY 62 Ca 0.13 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.85 3.77 0.28 1.61 3.00 -1.26 0.28 118.95 124.79 1b4r s ARG 63 Ca 0.00 -0.45 0.09 0.00 -1.00 0.00 0.00 55.73 54.37 1b4r s ARG 63 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 34.95 31.89 1b4r s ARG 63 CO 0.00 0.27 0.02 0.71 0.00 0.00 0.00 175.30 176.30 1b4r s TYR 64 N 0.33 2.69 -0.19 5.12 1.51 -0.06 -4.91 117.35 121.85 1b4r s TYR 64 Ca -0.01 -0.26 -0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1b4r s TYR 64 Cb -0.13 -1.28 -0.00 0.00 -0.11 0.00 0.00 41.96 40.43 1b4r s TYR 64 CO 0.02 0.57 -0.12 -1.58 -1.11 0.00 0.00 175.55 173.33 1b4r s HIS 65 N -2.35 2.86 0.10 2.71 2.46 -1.26 -1.43 115.29 118.38 1b4r s HIS 65 Ca 0.33 -1.12 0.02 0.00 0.47 0.00 0.00 55.06 54.76 1b4r s HIS 65 Cb -0.05 -1.98 -0.04 0.00 -0.13 0.00 0.00 32.58 30.37 1b4r s HIS 65 CO 0.20 -0.57 0.17 0.08 -2.47 0.00 0.00 174.74 172.16 1b4r s VAL 66 N 1.17 4.95 0.09 0.89 1.01 0.14 -4.56 120.40 124.08 1b4r s VAL 66 Ca 0.01 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1b4r s VAL 66 Cb -0.14 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1b4r s VAL 66 CO -0.04 0.04 0.28 0.42 0.00 0.00 0.00 175.10 175.79 1b4r s THR 67 N -1.57 0.11 0.06 3.92 -4.23 -0.93 0.07 115.64 113.07 1b4r s THR 67 Ca 0.32 -0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 59.83 1b4r s THR 67 Cb -0.12 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.56 1b4r s THR 67 CO 0.25 -0.48 0.28 0.00 -0.54 0.00 0.00 174.62 174.13 1b4r s ALA 68 N -3.47 -0.59 -0.26 3.99 0.00 -0.55 0.25 121.76 121.14 1b4r s ALA 68 Ca 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1b4r s ALA 68 Cb 0.02 0.40 0.12 0.00 0.00 0.00 0.00 23.12 23.67 1b4r s ALA 68 CO -0.09 -0.46 0.28 0.08 0.00 0.00 0.00 175.76 175.57 1b4r s VAL 69 N -3.00 -0.40 0.27 0.00 1.01 0.14 0.08 120.40 118.49 1b4r s VAL 69 Ca -0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1b4r s VAL 69 Cb 0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 1b4r s VAL 69 CO -0.06 -0.34 0.63 -0.76 0.00 0.00 0.00 175.10 174.57 1b4r s LEU 70 N 2.38 4.11 -0.15 3.92 1.43 -0.26 0.25 118.68 130.35 1b4r s LEU 70 Ca 0.09 1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1b4r s LEU 70 Cb -0.15 -3.84 0.03 0.00 0.03 0.00 0.00 46.19 42.27 1b4r s LEU 70 CO -0.24 -0.14 -0.07 0.00 0.23 0.00 0.00 176.35 176.13 1b4r s ALA 71 N -1.92 1.51 -0.51 4.21 0.00 -0.58 -3.01 121.76 121.46 1b4r s ALA 71 Ca 0.50 -0.78 0.16 0.00 0.00 0.00 0.00 51.96 51.84 1b4r s ALA 71 Cb -0.11 -1.06 -0.19 0.00 0.00 0.00 0.00 23.12 21.75 1b4r s ALA 71 CO 0.21 -0.64 0.56 1.28 0.00 0.00 0.00 175.76 177.17 1b4r n LEU 72 N 4.87 0.50 0.00 0.00 4.32 -0.41 -4.10 117.00 122.18 1b4r n LEU 72 Ca -0.13 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.52 1b4r n LEU 72 Cb 0.49 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.29 1b4r n LEU 72 CO 0.17 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 1b4r n GLY 73 N 1.44 3.12 0.07 -0.72 0.00 -1.26 -4.69 105.19 103.15 1b4r n GLY 73 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 46.02 45.16 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 2.67 -2.15 4.61 0.00 -1.26 -5.03 120.51 119.35 1b4r n ALA 74 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 1b4r n ALA 74 Cb 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.26 0.75 0.25 0.00 0.00 -1.26 -5.17 107.32 100.63 1b4r s GLY 75 Ca 0.04 -1.35 -0.12 0.00 0.00 0.00 0.00 44.72 43.29 1b4r s GLY 75 CO 0.19 -1.41 0.46 -1.35 0.00 0.00 0.00 173.10 170.99 1b4r s SER 76 N -3.02 -0.07 -0.08 1.64 1.04 -1.26 -1.29 113.70 110.65 1b4r s SER 76 Ca 0.13 -0.96 -0.03 0.00 0.48 0.00 0.00 55.95 55.57 1b4r s SER 76 Cb 0.06 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1b4r s SER 76 CO -0.05 -1.13 0.17 0.00 0.98 0.00 0.00 173.24 173.22 1b4r s ALA 77 N -4.02 -0.30 0.19 5.32 0.00 -1.16 -4.81 121.76 116.97 1b4r s ALA 77 Ca 0.23 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 1b4r s ALA 77 Cb -0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1b4r s ALA 77 CO 0.09 -0.31 0.41 -1.17 0.00 0.00 0.00 175.76 174.79 1b4r s LEU 78 N 1.58 4.22 0.09 0.00 2.96 -1.26 -1.11 118.68 125.16 1b4r s LEU 78 Ca -0.05 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1b4r s LEU 78 Cb -0.12 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1b4r s LEU 78 CO -0.06 -0.02 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.66 1b4r s LEU 79 N -3.01 2.47 -0.38 -0.68 1.98 0.11 -3.08 118.68 116.09 1b4r s LEU 79 Ca 0.41 -0.94 0.00 0.00 -2.89 0.00 0.00 54.13 50.71 1b4r s LEU 79 Cb -0.11 -0.09 0.19 0.00 0.66 0.00 0.00 46.19 46.83 1b4r s LEU 79 CO 0.27 -0.42 0.83 -0.83 -1.89 0.00 0.00 176.35 174.30 1b4r s GLY 80 N -2.83 -1.41 0.11 7.98 0.00 -1.25 -1.48 107.32 108.43 1b4r s GLY 80 Ca 0.09 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.41 1b4r s GLY 80 CO -0.04 3.95 0.07 -1.30 0.00 0.00 0.00 173.10 175.78 1b4r n THR 81 N 3.91 0.00 -3.76 0.90 -2.24 0.11 -4.89 114.28 108.31 1b4r n THR 81 Ca 0.10 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1b4r n THR 81 Cb 0.60 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.63 -0.20 -0.02 3.42 1.01 -1.26 0.25 116.67 118.24 1b4r s ASP 82 Ca 0.06 0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.45 1b4r s ASP 82 Cb -0.00 0.33 -0.00 0.00 1.01 0.00 0.00 42.92 44.25 1b4r s ASP 82 CO 0.04 -0.43 -0.10 0.54 0.21 0.00 0.00 175.17 175.43 1b4r s VAL 83 N -1.26 0.78 -1.00 -1.27 0.11 -0.52 -4.92 120.40 112.32 1b4r s VAL 83 Ca -0.13 -0.40 -0.10 0.00 -2.93 0.00 0.00 61.98 58.43 1b4r s VAL 83 Cb -0.05 -0.67 0.25 0.00 -1.53 0.00 0.00 36.38 34.38 1b4r s VAL 83 CO 0.04 0.23 0.96 -1.58 -3.33 0.00 0.00 175.10 171.42 1b4r s GLN 84 N -0.06 3.89 0.17 1.54 0.74 -1.26 -0.88 119.66 123.80 1b4r s GLN 84 Ca 0.01 -2.99 -0.30 0.00 0.05 0.00 0.00 55.36 52.13 1b4r s GLN 84 Cb -0.06 -4.43 -0.08 0.00 1.10 0.00 0.00 33.01 29.54 1b4r s GLN 84 CO -0.00 -1.25 1.21 0.08 -0.55 0.00 0.00 175.29 174.77 1b4r s VAL 85 N -0.84 3.59 0.51 1.34 1.01 0.14 -4.71 120.40 121.45 1b4r s VAL 85 Ca 0.26 1.31 0.04 0.00 0.00 0.00 0.00 61.98 63.59 1b4r s VAL 85 Cb -0.10 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1b4r s VAL 85 CO -0.09 0.19 0.35 -0.62 0.00 0.00 0.00 175.10 174.94 1b4r n GLU 86 N 2.71 0.74 0.00 2.72 4.71 -0.23 -0.11 120.64 131.18 1b4r n GLU 86 Ca 0.05 -3.25 0.00 0.00 -0.01 0.00 0.00 57.16 53.96 1b4r n GLU 86 Cb 0.45 0.40 0.00 0.00 -1.01 0.00 0.00 31.44 31.28 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22