#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 5.10 -0.94 0.00 -1.32 0.17 -4.80 115.64 113.85 1b4r s THR 9 Ca 0.00 0.32 -0.17 0.00 -1.21 0.00 0.00 61.69 60.63 1b4r s THR 9 Cb 0.00 -3.63 0.16 0.00 -1.51 0.00 0.00 72.50 67.51 1b4r s THR 9 CO 0.00 0.17 1.08 -0.76 -2.21 0.00 0.00 174.62 172.90 1b4r s LEU 10 N -2.25 5.45 -0.56 9.08 1.02 -1.26 -1.86 118.68 128.29 1b4r s LEU 10 Ca 0.37 -2.31 -0.17 0.00 0.02 0.00 0.00 54.13 52.04 1b4r s LEU 10 Cb -0.13 -2.35 0.12 0.00 0.02 0.00 0.00 46.19 43.84 1b4r s LEU 10 CO 0.20 -0.91 0.58 -0.69 0.02 0.00 0.00 176.35 175.56 1b4r s VAL 11 N 1.95 5.04 -0.74 -1.59 1.01 -0.08 -4.96 120.40 121.03 1b4r s VAL 11 Ca 0.30 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1b4r s VAL 11 Cb -0.06 -4.40 0.19 0.00 0.00 0.00 0.00 36.38 32.11 1b4r s VAL 11 CO -0.08 -0.97 0.60 0.61 0.00 0.00 0.00 175.10 175.25 1b4r n GLY 12 N 5.26 4.16 3.79 4.51 0.00 -1.26 0.69 105.19 122.34 1b4r n GLY 12 Ca -0.12 -2.62 -0.35 0.00 0.00 0.00 0.00 46.02 42.93 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 -1.60 3.97 0.00 1.61 0.04 -0.66 -4.84 135.00 133.51 1b4r s PRO 13 Ca 0.27 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1b4r s PRO 13 Cb -0.02 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1b4r s PRO 13 CO -0.14 -0.30 0.00 -2.39 0.04 0.00 0.00 177.00 174.21 1b4r n HIS 14 N -0.55 0.00 0.00 0.56 1.44 -1.26 -1.39 115.22 114.02 1b4r n HIS 14 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1b4r n HIS 14 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1b4r n HIS 14 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1b4r n GLY 15 N -0.28 0.83 3.80 -1.39 0.00 -1.26 -4.99 105.19 101.90 1b4r n GLY 15 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.50 4.32 -0.75 1.61 0.04 -1.26 -5.01 135.00 134.44 1b4r s PRO 16 Ca 0.00 1.28 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 1b4r s PRO 16 Cb 0.00 -2.46 0.19 0.00 0.04 0.00 0.00 34.50 32.27 1b4r s PRO 16 CO 0.00 0.04 0.59 -0.51 0.04 0.00 0.00 177.00 177.15 1b4r s LEU 17 N -2.70 5.25 0.47 -3.56 2.01 -1.26 -4.89 118.68 114.00 1b4r s LEU 17 Ca 0.57 -3.42 0.03 0.00 0.01 0.00 0.00 54.13 51.32 1b4r s LEU 17 Cb -0.15 -1.83 0.02 0.00 0.01 0.00 0.00 46.19 44.24 1b4r s LEU 17 CO 0.20 -0.23 0.67 0.00 1.01 0.00 0.00 176.35 178.00 1b4r s ALA 18 N -0.89 4.04 -0.31 4.21 0.00 -1.26 -1.12 121.76 126.43 1b4r s ALA 18 Ca 0.23 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 1b4r s ALA 18 Cb -0.12 -1.95 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 1b4r s ALA 18 CO -0.09 -0.48 2.25 0.45 0.00 0.00 0.00 175.76 177.89 1b4r n SER 19 N -2.09 2.72 0.00 0.00 2.88 0.15 -1.97 113.62 115.31 1b4r n SER 19 Ca 0.05 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1b4r n SER 19 Cb 0.59 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 6.07 1.23 3.26 0.46 0.00 -0.88 -4.93 105.19 110.41 1b4r n GLY 20 Ca 0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.16 1.08 -0.11 1.61 2.00 0.26 -4.93 119.66 119.41 1b4r s GLN 21 Ca 0.00 -1.27 0.03 0.00 -2.00 0.00 0.00 55.36 52.12 1b4r s GLN 21 Cb 0.00 -1.02 -0.00 0.00 0.80 0.00 0.00 33.01 32.78 1b4r s GLN 21 CO 0.00 0.20 -0.22 -1.17 -0.50 0.00 0.00 175.29 173.61 1b4r s LEU 22 N -2.46 2.23 0.08 3.68 2.96 -1.26 -0.70 118.68 123.21 1b4r s LEU 22 Ca 0.10 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 1b4r s LEU 22 Cb -0.05 -1.46 -0.06 0.00 0.50 0.00 0.00 46.19 45.12 1b4r s LEU 22 CO 0.04 0.16 0.38 0.00 -1.32 0.00 0.00 176.35 175.61 1b4r s ALA 23 N 0.34 3.76 -0.19 5.97 0.00 0.25 -4.87 121.76 127.01 1b4r s ALA 23 Ca -0.17 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 1b4r s ALA 23 Cb -0.18 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 1b4r s ALA 23 CO 0.08 0.60 0.10 0.00 0.00 0.00 0.00 175.76 176.54 1b4r s ALA 24 N -1.44 3.55 0.36 0.00 0.00 -0.48 0.60 121.76 124.35 1b4r s ALA 24 Ca 0.34 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1b4r s ALA 24 Cb -0.13 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1b4r s ALA 24 CO 0.19 0.14 0.15 -0.06 0.00 0.00 0.00 175.76 176.19 1b4r s PHE 25 N 0.41 2.67 -0.28 0.00 0.40 0.88 -1.66 117.98 120.40 1b4r s PHE 25 Ca 0.06 -0.44 -0.20 0.00 -0.60 0.00 0.00 56.93 55.75 1b4r s PHE 25 Cb -0.12 -1.73 0.11 0.00 0.51 0.00 0.00 43.02 41.79 1b4r s PHE 25 CO -0.01 0.29 0.86 -3.38 0.70 0.00 0.00 175.22 173.68 1b4r s HIS 26 N -2.47 -0.73 0.06 0.36 -3.43 0.22 -0.80 115.29 108.49 1b4r s HIS 26 Ca 0.39 1.59 0.02 0.00 -0.80 0.00 0.00 55.06 56.25 1b4r s HIS 26 Cb -0.01 0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 1b4r s HIS 26 CO 0.23 -0.36 0.13 0.42 -2.00 0.00 0.00 174.74 173.15 1b4r s ILE 27 N 0.97 4.86 -0.07 -5.38 -1.09 0.19 -0.90 121.20 119.78 1b4r s ILE 27 Ca -0.05 -0.59 -0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1b4r s ILE 27 Cb -0.05 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1b4r s ILE 27 CO -0.11 0.16 -0.04 0.00 -1.23 0.00 0.00 174.94 173.72 1b4r s ALA 28 N -1.41 0.82 0.00 9.38 0.00 -0.78 -4.78 121.76 125.00 1b4r s ALA 28 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1b4r s ALA 28 Cb -0.12 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1b4r s ALA 28 CO 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 175.76 175.74 1b4r n ALA 29 N 4.61 0.00 -1.71 0.00 0.00 -1.26 0.44 120.51 122.59 1b4r n ALA 29 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1b4r n ALA 29 Cb 0.50 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 0.00 3.01 0.00 0.00 -0.04 -1.26 -4.88 135.00 131.83 1b4r n PRO 30 Ca 0.00 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1b4r n PRO 30 Cb 0.00 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.25 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 5.64 0.00 -4.57 1.53 4.32 -1.26 -2.33 117.00 120.33 1b4r n LEU 31 Ca 0.55 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 56.12 1b4r n LEU 31 Cb 0.37 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.15 1b4r n LEU 31 CO 0.89 0.00 1.77 -2.16 -1.22 0.00 0.00 177.39 176.67 1b4r s PRO 32 N -2.00 3.78 -0.03 3.23 0.04 -1.26 -4.97 135.00 133.78 1b4r s PRO 32 Ca 0.00 -1.63 -0.01 0.00 0.04 0.00 0.00 61.00 59.41 1b4r s PRO 32 Cb 0.00 -5.46 -0.04 0.00 0.04 0.00 0.00 34.50 29.05 1b4r s PRO 32 CO 0.00 -2.30 0.03 0.08 0.04 0.00 0.00 177.00 174.85 1b4r s VAL 33 N 4.77 4.45 -0.04 -0.36 1.01 -0.98 -4.91 120.40 124.33 1b4r s VAL 33 Ca 0.52 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1b4r s VAL 33 Cb 0.02 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1b4r s VAL 33 CO 0.01 0.45 0.05 1.07 0.00 0.00 0.00 175.10 176.69 1b4r n THR 34 N 1.59 0.00 -3.62 3.92 5.66 -1.26 -4.29 114.28 116.28 1b4r n THR 34 Ca -0.16 -0.29 -0.06 0.00 -3.05 0.00 0.00 64.05 60.50 1b4r n THR 34 Cb 0.53 0.78 -0.05 0.00 -1.55 0.00 0.00 70.33 70.03 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 -1.54 -2.06 -0.05 1.79 0.00 -1.24 -0.69 121.76 117.97 1b4r s ALA 35 Ca 0.00 1.76 -0.03 0.00 0.00 0.00 0.00 51.96 53.68 1b4r s ALA 35 Cb 0.01 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1b4r s ALA 35 CO 0.06 -0.23 0.11 -0.08 0.00 0.00 0.00 175.76 175.62 1b4r s THR 36 N -0.68 -0.02 -0.39 0.00 -1.32 -0.60 -1.32 115.64 111.31 1b4r s THR 36 Ca 0.04 0.06 -0.18 0.00 -1.21 0.00 0.00 61.69 60.40 1b4r s THR 36 Cb -0.02 -0.17 0.01 0.00 -1.51 0.00 0.00 72.50 70.80 1b4r s THR 36 CO -0.06 0.02 0.52 -0.13 -2.21 0.00 0.00 174.62 172.76 1b4r s ARG 37 N 0.39 3.39 0.51 7.08 0.52 0.80 -0.92 118.95 130.71 1b4r s ARG 37 Ca -0.03 -0.40 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 1b4r s ARG 37 Cb -0.04 -3.89 0.10 0.00 0.52 0.00 0.00 34.95 31.64 1b4r s ARG 37 CO -0.02 -0.79 0.70 0.91 0.02 0.00 0.00 175.30 176.12 1b4r n TRP 38 N 5.81 -2.91 -3.33 -0.53 7.02 0.52 -0.13 117.44 123.89 1b4r n TRP 38 Ca -0.05 -1.35 -0.10 0.00 -1.02 0.00 0.00 57.50 54.98 1b4r n TRP 38 Cb 0.48 -0.50 -0.07 0.00 -2.42 0.00 0.00 31.31 28.80 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 -3.89 0.45 -0.06 -0.99 1.01 0.14 0.55 116.67 113.87 1b4r s ASP 39 Ca 0.47 -0.19 -0.00 0.00 0.71 0.00 0.00 52.55 53.55 1b4r s ASP 39 Cb -0.03 1.06 -0.00 0.00 1.01 0.00 0.00 42.92 44.96 1b4r s ASP 39 CO 0.31 -0.34 -0.00 -0.26 0.21 0.00 0.00 175.17 175.09 1b4r h PHE 40 N 8.18 0.00 0.00 4.23 0.04 -1.13 -2.35 116.94 125.91 1b4r h PHE 40 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1b4r h PHE 40 Cb 1.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1b4r h PHE 40 CO 0.22 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.34 1b4r n GLY 41 N 1.86 0.91 0.00 -1.45 0.00 -0.62 -4.40 105.19 101.49 1b4r n GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.00 1.61 5.68 -1.26 -4.85 116.55 117.73 1b4r n ASP 42 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.23 1b4r n ASP 42 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 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 -5.40 6.12 0.00 -1.96 -3.45 103.07 98.38 1b4r h GLY 43 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1b4r h GLY 43 CO 0.00 0.00 -0.85 -0.56 0.00 0.00 0.00 176.54 175.13 1b4r s SER 44 N -6.08 3.35 0.00 0.19 0.01 -1.26 -5.07 113.70 104.84 1b4r s SER 44 Ca -0.04 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1b4r s SER 44 Cb 0.08 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.87 1b4r s SER 44 CO 0.82 0.17 0.00 0.00 0.41 0.00 0.00 173.24 174.64 1b4r n ALA 45 N 3.49 0.00 -1.17 1.44 0.00 -1.26 -1.59 120.51 121.41 1b4r n ALA 45 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 1b4r n ALA 45 Cb 0.53 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.28 0.28 -3.81 0.00 1.02 -1.26 -0.97 120.64 115.62 1b4r n GLU 46 Ca 0.00 0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 1b4r n GLU 46 Cb 0.00 -2.44 -0.14 0.00 -0.02 0.00 0.00 31.44 28.84 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1b4r s VAL 47 N -2.04 -0.02 -0.52 2.62 1.01 0.19 -4.72 120.40 116.92 1b4r s VAL 47 Ca 0.74 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1b4r s VAL 47 Cb -0.30 -0.13 0.13 0.00 0.00 0.00 0.00 36.38 36.08 1b4r s VAL 47 CO 0.50 0.03 0.29 -1.81 0.00 0.00 0.00 175.10 174.11 1b4r s ASP 48 N 0.46 4.87 0.13 3.32 1.01 -1.26 -0.35 116.67 124.84 1b4r s ASP 48 Ca -0.03 -2.68 -0.04 0.00 0.71 0.00 0.00 52.55 50.51 1b4r s ASP 48 Cb -0.05 -1.75 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 1b4r s ASP 48 CO -0.02 -0.35 0.35 0.00 0.21 0.00 0.00 175.17 175.36 1b4r s ALA 49 N 0.19 3.83 0.28 5.23 0.00 -0.10 -4.97 121.76 126.22 1b4r s ALA 49 Ca 0.15 -0.62 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 1b4r s ALA 49 Cb -0.22 -2.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.74 1b4r s ALA 49 CO -0.03 0.69 0.77 0.00 0.00 0.00 0.00 175.76 177.19 1b4r s ALA 50 N -1.64 3.33 0.00 0.00 0.00 -1.21 -1.55 121.76 120.69 1b4r s ALA 50 Ca 0.40 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1b4r s ALA 50 Cb -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1b4r s ALA 50 CO 0.25 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.72 1b4r n GLY 51 N 0.25 0.69 1.86 0.00 0.00 0.13 -1.85 105.19 106.27 1b4r n GLY 51 Ca 0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 1.66 -3.83 1.61 -0.04 -1.26 -3.15 135.00 130.00 1b4r n PRO 52 Ca 0.00 -1.20 -0.12 0.00 -0.04 0.00 0.00 63.50 62.14 1b4r n PRO 52 Cb 0.00 -1.53 -0.12 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.16 -0.35 0.00 0.55 0.00 -0.77 -0.64 121.76 119.39 1b4r s ALA 53 Ca 0.28 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1b4r s ALA 53 Cb 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1b4r s ALA 53 CO -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 175.76 175.65 1b4r n ALA 54 N 2.84 0.00 -3.55 0.00 0.00 0.02 -3.36 120.51 116.46 1b4r n ALA 54 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1b4r n ALA 54 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.11 -0.67 -0.18 0.00 1.04 -1.26 -0.08 113.70 112.43 1b4r s SER 55 Ca 0.00 1.21 -0.10 0.00 0.48 0.00 0.00 55.95 57.54 1b4r s SER 55 Cb 0.00 1.18 -0.05 0.00 0.10 0.00 0.00 66.02 67.25 1b4r s SER 55 CO 0.00 -0.21 0.15 -1.00 0.98 0.00 0.00 173.24 173.16 1b4r s HIS 56 N 0.75 3.45 -0.68 5.02 3.76 0.20 -4.89 115.29 122.89 1b4r s HIS 56 Ca -0.03 0.40 -0.17 0.00 -0.15 0.00 0.00 55.06 55.11 1b4r s HIS 56 Cb -0.05 -2.15 0.15 0.00 1.11 0.00 0.00 32.58 31.64 1b4r s HIS 56 CO -0.05 0.36 0.71 -0.98 -0.85 0.00 0.00 174.74 173.92 1b4r s ARG 57 N 0.15 3.25 -0.47 1.40 1.70 -1.26 -0.58 118.95 123.13 1b4r s ARG 57 Ca 0.10 -1.80 -0.15 0.00 -0.47 0.00 0.00 55.73 53.41 1b4r s ARG 57 Cb -0.11 -4.39 0.07 0.00 -0.57 0.00 0.00 34.95 29.94 1b4r s ARG 57 CO -0.00 -1.44 0.39 0.71 -1.08 0.00 0.00 175.30 173.88 1b4r s TYR 58 N 1.67 3.25 -0.70 5.89 2.02 0.12 -4.39 117.35 125.22 1b4r s TYR 58 Ca 0.13 -0.94 0.13 0.00 -0.37 0.00 0.00 57.07 56.03 1b4r s TYR 58 Cb -0.20 -3.17 -0.12 0.00 -0.40 0.00 0.00 41.96 38.07 1b4r s TYR 58 CO -0.01 -0.80 0.58 1.33 -1.57 0.00 0.00 175.55 175.08 1b4r n VAL 59 N 5.20 0.00 -4.16 0.71 0.24 -1.26 -0.57 118.33 118.49 1b4r n VAL 59 Ca -0.12 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.64 1b4r n VAL 59 Cb 0.44 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.75 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 -2.52 3.74 -0.11 1.34 0.20 -1.26 -3.26 118.68 116.81 1b4r s LEU 60 Ca 0.06 0.07 -0.30 0.00 0.69 0.00 0.00 54.13 54.65 1b4r s LEU 60 Cb 0.10 -2.21 -0.02 0.00 -0.43 0.00 0.00 46.19 43.64 1b4r s LEU 60 CO 0.51 0.26 1.12 -2.16 -0.29 0.00 0.00 176.35 175.79 1b4r s PRO 61 N -1.77 4.34 0.00 0.98 0.04 -1.26 -4.78 135.00 132.56 1b4r s PRO 61 Ca 0.23 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1b4r s PRO 61 Cb -0.12 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1b4r s PRO 61 CO 0.14 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1b4r n GLY 62 N 3.31 0.01 3.30 0.56 0.00 -0.06 -4.99 105.19 107.32 1b4r n GLY 62 Ca 0.11 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 1.20 0.07 1.61 3.00 -1.26 0.30 118.95 121.87 1b4r s ARG 63 Ca 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 55.73 54.28 1b4r s ARG 63 Cb 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 34.95 33.95 1b4r s ARG 63 CO 0.00 0.16 -0.07 0.71 0.00 0.00 0.00 175.30 176.10 1b4r s TYR 64 N -2.82 0.80 -0.28 -0.53 1.51 -0.30 -4.94 117.35 110.78 1b4r s TYR 64 Ca 0.18 -0.73 -0.04 0.00 -1.01 0.00 0.00 57.07 55.47 1b4r s TYR 64 Cb -0.01 -0.47 0.02 0.00 -0.11 0.00 0.00 41.96 41.39 1b4r s TYR 64 CO 0.04 -0.12 0.02 -1.58 -1.11 0.00 0.00 175.55 172.81 1b4r s HIS 65 N -2.60 3.13 0.16 2.71 2.46 -1.26 -1.30 115.29 118.59 1b4r s HIS 65 Ca 0.02 -1.29 -0.05 0.00 0.47 0.00 0.00 55.06 54.21 1b4r s HIS 65 Cb -0.02 -2.17 -0.06 0.00 -0.13 0.00 0.00 32.58 30.21 1b4r s HIS 65 CO -0.02 -0.66 0.40 0.08 -2.47 0.00 0.00 174.74 172.07 1b4r s VAL 66 N 1.41 5.14 0.07 0.89 1.01 0.98 -4.67 120.40 125.23 1b4r s VAL 66 Ca 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1b4r s VAL 66 Cb -0.17 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1b4r s VAL 66 CO -0.00 -0.01 0.18 0.42 0.00 0.00 0.00 175.10 175.68 1b4r s THR 67 N -1.71 0.13 0.20 3.92 -4.23 -0.88 0.26 115.64 113.33 1b4r s THR 67 Ca 0.42 -1.10 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 1b4r s THR 67 Cb -0.12 -1.18 0.03 0.00 1.34 0.00 0.00 72.50 72.57 1b4r s THR 67 CO 0.25 -0.61 0.54 0.00 -0.54 0.00 0.00 174.62 174.26 1b4r s ALA 68 N -3.36 -1.02 -0.05 3.99 0.00 -0.46 0.25 121.76 121.11 1b4r s ALA 68 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1b4r s ALA 68 Cb 0.03 0.86 0.04 0.00 0.00 0.00 0.00 23.12 24.04 1b4r s ALA 68 CO -0.08 -0.82 0.11 0.54 0.00 0.00 0.00 175.76 175.51 1b4r s VAL 69 N -3.86 -0.09 0.13 0.00 0.11 0.81 0.22 120.40 117.71 1b4r s VAL 69 Ca 0.08 0.25 -0.19 0.00 -2.93 0.00 0.00 61.98 59.19 1b4r s VAL 69 Cb -0.01 -0.20 -0.07 0.00 -1.53 0.00 0.00 36.38 34.57 1b4r s VAL 69 CO -0.03 0.10 0.62 -0.76 -3.33 0.00 0.00 175.10 171.70 1b4r s LEU 70 N 1.44 4.45 -0.25 2.54 2.01 0.35 -0.14 118.68 129.08 1b4r s LEU 70 Ca -0.06 1.29 -0.01 0.00 0.01 0.00 0.00 54.13 55.36 1b4r s LEU 70 Cb -0.12 -3.18 0.08 0.00 0.01 0.00 0.00 46.19 42.97 1b4r s LEU 70 CO -0.05 0.17 0.04 0.00 1.01 0.00 0.00 176.35 177.52 1b4r s ALA 71 N -1.29 1.44 -0.80 4.21 0.00 -0.43 -3.39 121.76 121.50 1b4r s ALA 71 Ca 0.35 -1.23 0.16 0.00 0.00 0.00 0.00 51.96 51.25 1b4r s ALA 71 Cb -0.18 -1.41 -0.17 0.00 0.00 0.00 0.00 23.12 21.36 1b4r s ALA 71 CO 0.20 -1.37 0.70 -0.11 0.00 0.00 0.00 175.76 175.19 1b4r n LEU 72 N 4.88 0.80 0.00 0.00 0.00 -0.17 -3.97 117.00 118.55 1b4r n LEU 72 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 56.01 55.43 1b4r n LEU 72 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 1b4r n LEU 72 CO 0.14 0.20 0.00 0.61 0.00 0.00 0.00 177.39 178.33 1b4r n GLY 73 N 1.38 3.06 0.07 -3.96 0.00 -1.26 -4.57 105.19 99.91 1b4r n GLY 73 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 46.02 45.24 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 2.48 -2.49 4.61 0.00 -1.26 -5.03 120.51 118.82 1b4r n ALA 74 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.06 1b4r n ALA 74 Cb 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.89 0.30 0.32 0.00 0.00 -1.26 -5.17 107.32 100.61 1b4r s GLY 75 Ca 0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.88 1b4r s GLY 75 CO 0.10 -0.95 0.48 -1.14 0.00 0.00 0.00 173.10 171.59 1b4r n SER 76 N 0.55 -1.35 -3.63 1.64 3.41 -1.26 -1.00 113.62 111.99 1b4r n SER 76 Ca -0.17 -2.66 -0.14 0.00 -0.26 0.00 0.00 58.87 55.63 1b4r n SER 76 Cb 0.59 2.46 -0.07 0.00 -0.26 0.00 0.00 64.21 66.93 1b4r n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4r s ALA 77 N -2.55 -1.69 -0.15 7.33 0.00 -1.22 -4.81 121.76 118.67 1b4r s ALA 77 Ca 0.24 1.83 -0.09 0.00 0.00 0.00 0.00 51.96 53.95 1b4r s ALA 77 Cb -0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1b4r s ALA 77 CO 0.17 -0.33 0.14 -0.51 0.00 0.00 0.00 175.76 175.24 1b4r s LEU 78 N 0.14 4.31 0.23 0.00 2.01 -1.26 -0.50 118.68 123.62 1b4r s LEU 78 Ca -0.02 0.37 0.12 0.00 0.01 0.00 0.00 54.13 54.61 1b4r s LEU 78 Cb -0.04 -2.09 -0.05 0.00 0.01 0.00 0.00 46.19 44.02 1b4r s LEU 78 CO 0.02 0.30 -0.22 -0.22 1.01 0.00 0.00 176.35 177.25 1b4r s LEU 79 N -0.39 2.52 -0.38 1.79 1.98 0.13 -3.95 118.68 120.40 1b4r s LEU 79 Ca 0.12 -0.93 0.01 0.00 -2.89 0.00 0.00 54.13 50.44 1b4r s LEU 79 Cb -0.12 -1.15 0.18 0.00 0.66 0.00 0.00 46.19 45.76 1b4r s LEU 79 CO 0.01 0.08 0.80 -0.83 -1.89 0.00 0.00 176.35 174.53 1b4r s GLY 80 N -3.07 -1.39 0.15 7.98 0.00 -1.25 -1.36 107.32 108.39 1b4r s GLY 80 Ca 0.25 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.63 1b4r s GLY 80 CO 0.12 3.93 0.14 -1.30 0.00 0.00 0.00 173.10 176.00 1b4r n THR 81 N 4.09 0.00 -3.74 0.90 -2.24 0.14 -4.89 114.28 108.55 1b4r n THR 81 Ca 0.09 -0.59 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 1b4r n THR 81 Cb 0.60 -0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.92 -0.30 0.13 3.42 -1.08 -1.26 -0.02 116.67 115.64 1b4r s ASP 82 Ca 0.11 0.39 0.05 0.00 -0.52 0.00 0.00 52.55 52.57 1b4r s ASP 82 Cb -0.01 0.50 -0.04 0.00 -1.46 0.00 0.00 42.92 41.92 1b4r s ASP 82 CO 0.07 -0.34 -0.11 0.54 0.52 0.00 0.00 175.17 175.84 1b4r s VAL 83 N -0.75 1.18 -0.41 1.11 0.11 -0.42 -4.93 120.40 116.29 1b4r s VAL 83 Ca -0.08 -1.88 0.01 0.00 -2.93 0.00 0.00 61.98 57.10 1b4r s VAL 83 Cb -0.04 -1.66 0.13 0.00 -1.53 0.00 0.00 36.38 33.28 1b4r s VAL 83 CO 0.03 -0.62 0.20 -1.10 -3.33 0.00 0.00 175.10 170.29 1b4r s GLN 84 N -3.25 1.14 0.16 1.54 -0.21 -1.26 -1.15 119.66 116.62 1b4r s GLN 84 Ca 0.12 -1.78 -0.21 0.00 0.02 0.00 0.00 55.36 53.51 1b4r s GLN 84 Cb -0.01 -2.23 -0.08 0.00 1.00 0.00 0.00 33.01 31.69 1b4r s GLN 84 CO 0.01 -1.12 0.68 0.08 -2.12 0.00 0.00 175.29 172.82 1b4r s VAL 85 N 0.66 4.58 0.50 1.09 1.01 0.15 -4.83 120.40 123.56 1b4r s VAL 85 Ca 0.16 1.36 0.07 0.00 0.00 0.00 0.00 61.98 63.56 1b4r s VAL 85 Cb -0.23 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1b4r s VAL 85 CO -0.05 0.40 0.42 -1.61 0.00 0.00 0.00 175.10 174.27 1b4r s GLU 86 N -1.48 2.33 0.00 2.72 2.02 -0.28 -0.88 118.70 123.13 1b4r s GLU 86 Ca 0.36 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.51 1b4r s GLU 86 Cb -0.19 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1b4r s GLU 86 CO 0.22 -0.49 0.05 0.00 0.02 0.00 0.00 175.26 175.05