#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 3.27 -0.45 0.00 -1.32 0.15 -4.63 115.64 112.66 1b4r s THR 9 Ca 0.00 0.84 -0.23 0.00 -1.21 0.00 0.00 61.69 61.09 1b4r s THR 9 Cb 0.00 -3.37 0.03 0.00 -1.51 0.00 0.00 72.50 67.65 1b4r s THR 9 CO 0.00 -0.12 0.80 -0.76 -2.21 0.00 0.00 174.62 172.33 1b4r s LEU 10 N -3.50 4.24 -0.29 9.08 1.02 -1.26 -1.70 118.68 126.27 1b4r s LEU 10 Ca 0.69 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.74 1b4r s LEU 10 Cb -0.24 -2.97 0.08 0.00 0.02 0.00 0.00 46.19 43.08 1b4r s LEU 10 CO 0.28 -0.94 0.03 -0.69 0.02 0.00 0.00 176.35 175.05 1b4r s VAL 11 N 3.34 1.52 -0.76 -1.59 1.01 -0.44 -5.01 120.40 118.46 1b4r s VAL 11 Ca 0.30 -1.59 0.03 0.00 0.00 0.00 0.00 61.98 60.72 1b4r s VAL 11 Cb -0.12 -2.00 0.19 0.00 0.00 0.00 0.00 36.38 34.45 1b4r s VAL 11 CO 0.23 -0.43 0.59 -0.83 0.00 0.00 0.00 175.10 174.65 1b4r s GLY 12 N 1.33 2.98 0.43 4.51 0.00 -1.26 0.53 107.32 115.84 1b4r s GLY 12 Ca 0.04 -3.83 -0.23 0.00 0.00 0.00 0.00 44.72 40.70 1b4r s GLY 12 CO -0.13 1.12 1.09 2.56 0.00 0.00 0.00 173.10 177.74 1b4r s PRO 13 N -1.40 3.96 0.00 2.90 0.04 -0.91 -4.87 135.00 134.73 1b4r s PRO 13 Ca 0.26 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1b4r s PRO 13 Cb -0.06 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1b4r s PRO 13 CO -0.15 -0.34 0.00 1.58 0.04 0.00 0.00 177.00 178.13 1b4r n HIS 14 N -0.35 0.00 0.00 0.56 -0.00 -1.26 -1.83 115.22 112.35 1b4r n HIS 14 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1b4r n HIS 14 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 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 -0.77 0.59 3.82 1.57 0.00 -1.26 -5.04 105.19 104.11 1b4r n GLY 15 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.27 4.15 -0.52 1.61 0.04 -1.26 -5.04 135.00 136.25 1b4r s PRO 16 Ca 0.00 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.16 1b4r s PRO 16 Cb 0.00 -2.17 0.13 0.00 0.04 0.00 0.00 34.50 32.51 1b4r s PRO 16 CO 0.00 -0.10 0.28 -0.51 0.04 0.00 0.00 177.00 176.71 1b4r s LEU 17 N -3.40 4.08 0.55 -3.56 1.43 -1.26 -4.94 118.68 111.58 1b4r s LEU 17 Ca 0.61 -3.03 -0.02 0.00 -1.03 0.00 0.00 54.13 50.67 1b4r s LEU 17 Cb -0.09 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.61 1b4r s LEU 17 CO 0.18 -0.22 0.81 0.00 0.23 0.00 0.00 176.35 177.34 1b4r s ALA 18 N -0.29 3.59 -0.20 4.21 0.00 -1.26 -1.08 121.76 126.73 1b4r s ALA 18 Ca 0.18 -1.03 -0.36 0.00 0.00 0.00 0.00 51.96 50.75 1b4r s ALA 18 Cb -0.24 -2.31 -0.13 0.00 0.00 0.00 0.00 23.12 20.44 1b4r s ALA 18 CO -0.01 -0.74 1.88 0.45 0.00 0.00 0.00 175.76 177.34 1b4r n SER 19 N -2.41 2.87 -0.41 0.00 2.88 0.18 -2.16 113.62 114.57 1b4r n SER 19 Ca 0.05 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1b4r n SER 19 Cb 0.59 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 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 4.67 0.58 3.44 0.46 0.00 0.16 -4.92 105.19 109.58 1b4r n GLY 20 Ca 0.27 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.54 1.58 -0.47 1.61 -1.52 0.42 -4.95 119.66 114.80 1b4r s GLN 21 Ca 0.00 -1.59 -0.01 0.00 -1.95 0.00 0.00 55.36 51.81 1b4r s GLN 21 Cb 0.00 -1.83 0.12 0.00 -0.22 0.00 0.00 33.01 31.08 1b4r s GLN 21 CO 0.00 0.38 0.25 -1.17 -0.25 0.00 0.00 175.29 174.50 1b4r s LEU 22 N -2.93 5.10 0.61 2.90 1.98 -1.26 -1.16 118.68 123.93 1b4r s LEU 22 Ca 0.24 -2.35 -0.10 0.00 -2.89 0.00 0.00 54.13 49.02 1b4r s LEU 22 Cb -0.07 -1.79 -0.03 0.00 0.66 0.00 0.00 46.19 44.96 1b4r s LEU 22 CO 0.12 -0.45 0.99 0.00 -1.89 0.00 0.00 176.35 175.12 1b4r s ALA 23 N 0.66 3.13 -0.24 5.97 0.00 0.42 -4.81 121.76 126.90 1b4r s ALA 23 Ca 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.86 1b4r s ALA 23 Cb -0.22 -2.96 0.05 0.00 0.00 0.00 0.00 23.12 19.99 1b4r s ALA 23 CO -0.04 -0.71 -0.09 0.00 0.00 0.00 0.00 175.76 174.92 1b4r s ALA 24 N -3.12 2.24 0.36 0.00 0.00 -0.76 0.18 121.76 120.65 1b4r s ALA 24 Ca 0.54 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1b4r s ALA 24 Cb -0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1b4r s ALA 24 CO 0.52 -1.08 0.47 -0.06 0.00 0.00 0.00 175.76 175.61 1b4r s PHE 25 N 1.27 3.02 -0.06 0.00 0.40 0.15 -2.15 117.98 120.61 1b4r s PHE 25 Ca -0.06 -0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.70 1b4r s PHE 25 Cb -0.19 -2.07 0.09 0.00 0.51 0.00 0.00 43.02 41.37 1b4r s PHE 25 CO -0.06 -0.09 0.79 -3.38 0.70 0.00 0.00 175.22 173.18 1b4r s HIS 26 N -2.23 -0.53 0.28 0.36 -3.43 0.19 -1.53 115.29 108.40 1b4r s HIS 26 Ca 0.47 0.82 0.10 0.00 -0.80 0.00 0.00 55.06 55.65 1b4r s HIS 26 Cb -0.09 0.45 -0.05 0.00 -1.43 0.00 0.00 32.58 31.46 1b4r s HIS 26 CO 0.31 -0.54 -0.03 0.42 -2.00 0.00 0.00 174.74 172.90 1b4r s ILE 27 N -1.56 3.15 -0.05 -5.38 -1.09 0.53 -1.33 121.20 115.47 1b4r s ILE 27 Ca -0.06 -1.99 -0.02 0.00 -2.23 0.00 0.00 60.65 56.36 1b4r s ILE 27 Cb -0.00 -2.75 0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1b4r s ILE 27 CO 0.04 -0.34 0.03 0.00 -1.23 0.00 0.00 174.94 173.43 1b4r s ALA 28 N -2.39 0.43 0.00 9.38 0.00 -0.69 -4.83 121.76 123.67 1b4r s ALA 28 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1b4r s ALA 28 Cb -0.05 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1b4r s ALA 28 CO 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 175.76 175.48 1b4r n ALA 29 N 5.21 0.00 -2.28 0.00 0.00 -1.26 0.33 120.51 122.52 1b4r n ALA 29 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 1b4r n ALA 29 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 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 2.76 -0.26 0.00 -0.04 -1.26 -4.84 135.00 131.35 1b4r n PRO 30 Ca 0.00 -2.95 -0.03 0.00 -0.04 0.00 0.00 63.50 60.48 1b4r n PRO 30 Cb 0.00 -3.48 -0.01 0.00 -0.04 0.00 0.00 33.50 29.97 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 9.13 -0.53 -4.24 1.53 4.32 -1.26 -2.36 117.00 123.58 1b4r n LEU 31 Ca 0.49 1.17 -0.43 0.00 -0.02 0.00 0.00 56.01 57.22 1b4r n LEU 31 Cb 0.45 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 1b4r n LEU 31 CO 0.79 -1.01 2.23 -0.81 -1.22 0.00 0.00 177.39 177.36 1b4r n PRO 32 N -4.92 3.09 -4.02 3.23 -0.04 -1.26 -4.96 135.00 126.11 1b4r n PRO 32 Ca 0.05 -3.05 -0.31 0.00 -0.04 0.00 0.00 63.50 60.14 1b4r n PRO 32 Cb 0.23 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.24 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 3.64 4.86 -0.06 0.52 1.01 -1.00 -4.98 120.40 124.39 1b4r s VAL 33 Ca 0.51 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1b4r s VAL 33 Cb 0.08 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 33.06 1b4r s VAL 33 CO 0.01 0.20 0.03 1.07 0.00 0.00 0.00 175.10 176.42 1b4r n THR 34 N 0.64 0.40 -3.59 3.92 5.66 -1.26 -4.36 114.28 115.69 1b4r n THR 34 Ca -0.09 -0.26 -0.14 0.00 -3.05 0.00 0.00 64.05 60.50 1b4r n THR 34 Cb 0.52 -0.72 -0.06 0.00 -1.55 0.00 0.00 70.33 68.52 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 -2.19 -1.83 0.23 1.79 0.00 -1.26 -1.28 121.76 117.22 1b4r s ALA 35 Ca -0.03 1.74 0.07 0.00 0.00 0.00 0.00 51.96 53.73 1b4r s ALA 35 Cb 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1b4r s ALA 35 CO 0.27 -0.33 -0.10 -0.08 0.00 0.00 0.00 175.76 175.52 1b4r s THR 36 N -0.29 1.57 -0.30 0.00 -1.32 -0.46 -1.61 115.64 113.22 1b4r s THR 36 Ca -0.03 -2.15 0.02 0.00 -1.21 0.00 0.00 61.69 58.32 1b4r s THR 36 Cb -0.03 -2.19 0.09 0.00 -1.51 0.00 0.00 72.50 68.86 1b4r s THR 36 CO 0.03 -0.49 0.02 -0.13 -2.21 0.00 0.00 174.62 171.84 1b4r s ARG 37 N -3.71 1.41 0.83 7.08 0.52 0.16 -1.20 118.95 124.05 1b4r s ARG 37 Ca 0.25 -1.46 -0.05 0.00 -0.52 0.00 0.00 55.73 53.95 1b4r s ARG 37 Cb 0.02 -2.77 0.17 0.00 0.52 0.00 0.00 34.95 32.89 1b4r s ARG 37 CO 0.08 -0.84 1.13 -1.58 0.02 0.00 0.00 175.30 174.11 1b4r s TRP 38 N 1.19 1.23 -0.29 -0.53 0.52 0.64 0.37 118.94 122.07 1b4r s TRP 38 Ca 0.05 -0.21 0.00 0.00 0.02 0.00 0.00 56.10 55.96 1b4r s TRP 38 Cb -0.19 -3.38 0.14 0.00 -1.15 0.00 0.00 33.47 28.89 1b4r s TRP 38 CO -0.11 -2.18 0.33 -0.51 0.02 0.00 0.00 176.95 174.49 1b4r s ASP 39 N -4.86 1.25 -0.14 2.95 1.01 0.12 0.65 116.67 117.64 1b4r s ASP 39 Ca 0.71 -0.60 -0.27 0.00 0.71 0.00 0.00 52.55 53.10 1b4r s ASP 39 Cb -0.03 0.70 -0.24 0.00 1.01 0.00 0.00 42.92 44.36 1b4r s ASP 39 CO 0.48 -0.37 0.70 -0.26 0.21 0.00 0.00 175.17 175.93 1b4r h PHE 40 N 8.23 0.00 0.00 4.23 0.04 -1.17 -2.78 116.94 125.49 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 1.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1b4r h PHE 40 CO 0.27 0.94 0.00 0.41 -0.60 0.00 0.00 178.31 179.33 1b4r n GLY 41 N 1.62 0.39 0.00 -1.45 0.00 -0.34 -4.10 105.19 101.31 1b4r n GLY 41 Ca -0.10 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 1.97 0.00 0.10 1.61 5.68 -1.26 -4.85 116.55 119.81 1b4r n ASP 42 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.42 1b4r n ASP 42 Cb 0.09 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.37 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 -6.44 6.12 0.00 -1.94 -3.44 103.07 97.37 1b4r h GLY 43 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1b4r h GLY 43 CO 0.00 0.00 -0.72 -1.35 0.00 0.00 0.00 176.54 174.47 1b4r s SER 44 N -4.60 0.05 0.00 0.19 1.04 -1.26 -5.10 113.70 104.02 1b4r s SER 44 Ca 0.09 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1b4r s SER 44 Cb 0.12 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1b4r s SER 44 CO 0.65 -0.12 0.00 0.00 0.98 0.00 0.00 173.24 174.74 1b4r n ALA 45 N 4.12 0.00 -1.54 5.32 0.00 -1.26 -1.20 120.51 125.96 1b4r n ALA 45 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.80 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 -0.25 0.77 -3.75 0.00 0.28 -1.26 -1.08 120.64 115.33 1b4r n GLU 46 Ca 0.00 0.31 -0.18 0.00 -0.16 0.00 0.00 57.16 57.13 1b4r n GLU 46 Cb 0.00 -2.25 -0.17 0.00 1.43 0.00 0.00 31.44 30.45 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 -1.61 -0.01 -0.38 3.84 1.01 0.21 -4.74 120.40 118.72 1b4r s VAL 47 Ca 0.77 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.91 1b4r s VAL 47 Cb -0.38 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1b4r s VAL 47 CO 0.47 0.15 0.21 -1.81 0.00 0.00 0.00 175.10 174.12 1b4r s ASP 48 N 1.59 5.73 0.35 3.32 1.01 -1.26 -0.26 116.67 127.14 1b4r s ASP 48 Ca -0.02 -1.04 0.07 0.00 0.71 0.00 0.00 52.55 52.26 1b4r s ASP 48 Cb -0.13 -2.02 -0.07 0.00 1.01 0.00 0.00 42.92 41.72 1b4r s ASP 48 CO -0.03 -0.40 -0.01 0.00 0.21 0.00 0.00 175.17 174.94 1b4r s ALA 49 N 1.54 2.74 0.20 5.23 0.00 -0.34 -4.98 121.76 126.14 1b4r s ALA 49 Ca 0.02 -2.11 -0.03 0.00 0.00 0.00 0.00 51.96 49.84 1b4r s ALA 49 Cb -0.19 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1b4r s ALA 49 CO 0.06 -0.12 0.42 0.00 0.00 0.00 0.00 175.76 176.12 1b4r s ALA 50 N -2.91 3.78 0.00 0.00 0.00 -1.25 -1.36 121.76 120.03 1b4r s ALA 50 Ca 0.34 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1b4r s ALA 50 Cb 0.07 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1b4r s ALA 50 CO 0.16 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.79 1b4r n GLY 51 N -0.51 0.74 1.86 0.00 0.00 -0.40 -2.02 105.19 104.86 1b4r n GLY 51 Ca -0.03 -0.77 -0.16 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 1.78 -3.98 1.61 -0.04 -1.26 -2.37 135.00 130.75 1b4r n PRO 52 Ca 0.00 -1.55 -0.09 0.00 -0.04 0.00 0.00 63.50 61.82 1b4r n PRO 52 Cb 0.00 -1.61 -0.11 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 -1.80 0.11 -0.18 0.55 0.00 -0.85 -0.34 121.76 119.24 1b4r s ALA 53 Ca 0.31 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 1b4r s ALA 53 Cb 0.24 0.17 0.14 0.00 0.00 0.00 0.00 23.12 23.67 1b4r s ALA 53 CO 0.00 -0.20 1.11 0.00 0.00 0.00 0.00 175.76 176.67 1b4r s ALA 54 N -1.84 -1.99 0.28 0.00 0.00 -0.58 -3.76 121.76 113.86 1b4r s ALA 54 Ca -0.12 1.59 0.08 0.00 0.00 0.00 0.00 51.96 53.51 1b4r s ALA 54 Cb -0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1b4r s ALA 54 CO -0.02 -0.40 0.11 -1.12 0.00 0.00 0.00 175.76 174.33 1b4r s SER 55 N -1.47 4.96 -0.12 0.00 0.01 -1.26 0.31 113.70 116.12 1b4r s SER 55 Ca 0.04 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 1b4r s SER 55 Cb -0.01 -1.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.16 1b4r s SER 55 CO -0.03 -0.08 -0.04 -1.00 0.41 0.00 0.00 173.24 172.50 1b4r s HIS 56 N -2.27 3.02 -0.61 2.43 3.76 0.13 -4.83 115.29 116.90 1b4r s HIS 56 Ca 0.33 -0.15 -0.04 0.00 -0.15 0.00 0.00 55.06 55.05 1b4r s HIS 56 Cb -0.06 -1.87 0.16 0.00 1.11 0.00 0.00 32.58 31.92 1b4r s HIS 56 CO 0.22 0.13 0.44 -0.98 -0.85 0.00 0.00 174.74 173.71 1b4r s ARG 57 N -0.13 2.61 -0.07 1.40 1.70 -1.26 -0.43 118.95 122.76 1b4r s ARG 57 Ca 0.02 -2.40 -0.17 0.00 -0.47 0.00 0.00 55.73 52.72 1b4r s ARG 57 Cb -0.13 -3.81 -0.05 0.00 -0.57 0.00 0.00 34.95 30.40 1b4r s ARG 57 CO 0.03 -1.18 0.45 0.71 -1.08 0.00 0.00 175.30 174.23 1b4r s TYR 58 N 0.19 3.59 -0.02 5.89 2.02 -0.30 -4.34 117.35 124.38 1b4r s TYR 58 Ca 0.15 0.93 0.02 0.00 -0.37 0.00 0.00 57.07 57.80 1b4r s TYR 58 Cb -0.20 -2.46 -0.03 0.00 -0.40 0.00 0.00 41.96 38.87 1b4r s TYR 58 CO -0.04 0.33 0.02 0.28 -1.57 0.00 0.00 175.55 174.57 1b4r n VAL 59 N 3.01 0.12 -3.77 0.71 0.31 -1.26 -0.44 118.33 117.01 1b4r n VAL 59 Ca -0.09 -0.09 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 1b4r n VAL 59 Cb 0.52 -0.69 -0.05 0.00 -0.91 0.00 0.00 33.84 32.71 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 -3.98 4.38 -0.20 7.52 0.20 -1.26 -3.21 118.68 122.14 1b4r s LEU 60 Ca -0.01 0.57 -0.29 0.00 0.69 0.00 0.00 54.13 55.08 1b4r s LEU 60 Cb 0.01 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.24 1b4r s LEU 60 CO 0.09 0.29 1.08 -2.16 -0.29 0.00 0.00 176.35 175.36 1b4r s PRO 61 N -1.55 4.28 0.00 0.98 0.04 -1.26 -4.79 135.00 132.69 1b4r s PRO 61 Ca 0.24 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1b4r s PRO 61 Cb -0.13 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1b4r s PRO 61 CO 0.13 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1b4r n GLY 62 N 3.34 -0.44 3.62 0.56 0.00 0.73 -4.92 105.19 108.08 1b4r n GLY 62 Ca 0.12 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 2.25 0.17 1.61 3.52 -1.26 -0.29 118.95 122.95 1b4r s ARG 63 Ca 0.00 -1.17 -0.01 0.00 -0.13 0.00 0.00 55.73 54.43 1b4r s ARG 63 Cb 0.00 -2.28 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 1b4r s ARG 63 CO 0.00 0.45 0.08 0.71 -0.81 0.00 0.00 175.30 175.73 1b4r s TYR 64 N -1.69 1.07 0.04 5.12 2.02 0.62 -4.92 117.35 119.60 1b4r s TYR 64 Ca 0.26 -1.27 0.07 0.00 -0.37 0.00 0.00 57.07 55.76 1b4r s TYR 64 Cb -0.09 -0.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.88 1b4r s TYR 64 CO 0.17 -0.53 -0.19 -1.58 -1.57 0.00 0.00 175.55 171.85 1b4r s HIS 65 N -4.04 1.68 0.08 2.71 5.65 -1.26 -1.00 115.29 119.11 1b4r s HIS 65 Ca 0.31 -0.36 0.07 0.00 0.25 0.00 0.00 55.06 55.33 1b4r s HIS 65 Cb 0.07 -1.01 -0.03 0.00 -1.18 0.00 0.00 32.58 30.44 1b4r s HIS 65 CO 0.07 0.07 -0.18 0.08 -0.65 0.00 0.00 174.74 174.13 1b4r s VAL 66 N -0.77 1.49 0.12 0.89 1.01 0.42 -4.40 120.40 119.15 1b4r s VAL 66 Ca 0.06 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 1b4r s VAL 66 Cb -0.08 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1b4r s VAL 66 CO 0.01 -0.05 0.31 0.42 0.00 0.00 0.00 175.10 175.79 1b4r s THR 67 N -1.09 0.10 0.07 3.92 -4.23 -1.05 0.35 115.64 113.71 1b4r s THR 67 Ca 0.04 -0.95 -0.12 0.00 -1.18 0.00 0.00 61.69 59.48 1b4r s THR 67 Cb -0.10 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.40 1b4r s THR 67 CO 0.03 -0.43 0.28 0.00 -0.54 0.00 0.00 174.62 173.95 1b4r s ALA 68 N -3.86 -0.56 -0.24 3.99 0.00 -0.57 0.15 121.76 120.67 1b4r s ALA 68 Ca 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 1b4r s ALA 68 Cb 0.03 0.45 0.11 0.00 0.00 0.00 0.00 23.12 23.71 1b4r s ALA 68 CO -0.09 -0.49 0.25 0.08 0.00 0.00 0.00 175.76 175.51 1b4r s VAL 69 N -3.22 -0.35 0.16 0.00 1.01 0.16 0.41 120.40 118.57 1b4r s VAL 69 Ca -0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.51 1b4r s VAL 69 Cb 0.02 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.51 1b4r s VAL 69 CO -0.08 -0.33 0.65 -0.76 0.00 0.00 0.00 175.10 174.58 1b4r s LEU 70 N 2.33 4.40 -0.17 3.92 1.43 -0.34 0.39 118.68 130.65 1b4r s LEU 70 Ca 0.08 1.31 -0.00 0.00 -1.03 0.00 0.00 54.13 54.49 1b4r s LEU 70 Cb -0.15 -3.32 0.04 0.00 0.03 0.00 0.00 46.19 42.79 1b4r s LEU 70 CO -0.21 0.12 -0.06 0.00 0.23 0.00 0.00 176.35 176.43 1b4r s ALA 71 N -1.38 1.53 -0.53 4.21 0.00 -0.63 -2.91 121.76 122.04 1b4r s ALA 71 Ca 0.38 -0.87 0.15 0.00 0.00 0.00 0.00 51.96 51.62 1b4r s ALA 71 Cb -0.17 -1.14 -0.18 0.00 0.00 0.00 0.00 23.12 21.63 1b4r s ALA 71 CO 0.20 -0.79 0.56 1.28 0.00 0.00 0.00 175.76 177.01 1b4r n LEU 72 N 4.86 0.52 0.00 0.00 4.77 -0.18 -4.21 117.00 122.76 1b4r n LEU 72 Ca -0.12 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1b4r n LEU 72 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1b4r n LEU 72 CO 0.17 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1b4r n GLY 73 N 1.42 3.15 0.08 -0.72 0.00 -1.26 -4.64 105.19 103.22 1b4r n GLY 73 Ca 0.01 -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 2.51 -2.85 4.61 0.00 -1.26 -5.03 120.51 118.49 1b4r n ALA 74 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 1b4r n ALA 74 Cb 0.00 -0.15 -0.09 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 -0.96 0.05 0.30 0.00 0.00 -1.26 -5.17 107.32 100.28 1b4r s GLY 75 Ca 0.03 -0.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.35 1b4r s GLY 75 CO 0.12 -0.49 0.49 -1.35 0.00 0.00 0.00 173.10 171.87 1b4r s SER 76 N -2.07 0.33 -0.17 1.64 1.04 -1.26 -1.01 113.70 112.19 1b4r s SER 76 Ca -0.05 -1.19 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 1b4r s SER 76 Cb -0.01 0.64 0.05 0.00 0.10 0.00 0.00 66.02 66.79 1b4r s SER 76 CO -0.04 -1.25 0.42 0.00 0.98 0.00 0.00 173.24 173.36 1b4r s ALA 77 N -3.47 -1.06 -0.06 5.32 0.00 -1.15 -4.85 121.76 116.49 1b4r s ALA 77 Ca 0.26 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.56 1b4r s ALA 77 Cb -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1b4r s ALA 77 CO 0.14 -0.24 0.17 -0.51 0.00 0.00 0.00 175.76 175.32 1b4r s LEU 78 N 0.87 4.38 0.17 0.00 1.02 -1.26 -1.20 118.68 122.66 1b4r s LEU 78 Ca -0.05 0.43 0.07 0.00 0.02 0.00 0.00 54.13 54.60 1b4r s LEU 78 Cb -0.06 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.75 1b4r s LEU 78 CO -0.07 0.33 -0.15 -0.22 0.02 0.00 0.00 176.35 176.27 1b4r s LEU 79 N -1.48 2.50 -0.42 1.79 1.98 0.17 -3.54 118.68 119.68 1b4r s LEU 79 Ca 0.21 -0.94 0.02 0.00 -2.89 0.00 0.00 54.13 50.53 1b4r s LEU 79 Cb -0.12 -0.63 0.19 0.00 0.66 0.00 0.00 46.19 46.28 1b4r s LEU 79 CO 0.11 -0.16 0.83 -0.83 -1.89 0.00 0.00 176.35 174.42 1b4r s GLY 80 N -2.98 -1.45 0.55 7.98 0.00 -1.25 -1.52 107.32 108.65 1b4r s GLY 80 Ca 0.17 0.26 0.08 0.00 0.00 0.00 0.00 44.72 45.24 1b4r s GLY 80 CO 0.05 3.91 0.65 -0.51 0.00 0.00 0.00 173.10 177.20 1b4r s THR 81 N 1.36 2.04 0.23 0.90 -4.23 0.16 -4.91 115.64 111.19 1b4r s THR 81 Ca 0.22 -1.16 0.11 0.00 -1.18 0.00 0.00 61.69 59.68 1b4r s THR 81 Cb 0.02 -2.20 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 1b4r s THR 81 CO -0.08 0.00 -0.20 -0.62 -0.54 0.00 0.00 174.62 173.17 1b4r s ASP 82 N -4.52 3.31 0.01 3.99 2.15 -1.26 -0.44 116.67 119.91 1b4r s ASP 82 Ca 0.53 -0.96 0.01 0.00 0.43 0.00 0.00 52.55 52.56 1b4r s ASP 82 Cb -0.05 -0.25 -0.01 0.00 -0.30 0.00 0.00 42.92 42.31 1b4r s ASP 82 CO 0.33 0.03 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.63 1b4r s VAL 83 N -2.27 0.30 -0.29 1.11 1.01 -0.17 -4.83 120.40 115.26 1b4r s VAL 83 Ca 0.25 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1b4r s VAL 83 Cb -0.05 -0.31 0.09 0.00 0.00 0.00 0.00 36.38 36.11 1b4r s VAL 83 CO 0.11 -0.10 0.09 -1.58 0.00 0.00 0.00 175.10 173.63 1b4r s GLN 84 N -0.57 0.70 -0.09 2.72 0.74 -1.26 -0.27 119.66 121.62 1b4r s GLN 84 Ca -0.03 -0.94 -0.04 0.00 0.05 0.00 0.00 55.36 54.40 1b4r s GLN 84 Cb -0.04 -1.96 -0.04 0.00 1.10 0.00 0.00 33.01 32.07 1b4r s GLN 84 CO -0.00 -0.93 0.07 0.08 -0.55 0.00 0.00 175.29 173.96 1b4r s VAL 85 N 1.68 4.90 0.27 1.34 1.01 0.60 -4.73 120.40 125.48 1b4r s VAL 85 Ca 0.08 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1b4r s VAL 85 Cb -0.17 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.13 1b4r s VAL 85 CO -0.23 0.59 0.30 -0.62 0.00 0.00 0.00 175.10 175.13 1b4r n GLU 86 N 1.97 0.95 0.00 2.72 1.02 -0.24 -0.19 120.64 126.87 1b4r n GLU 86 Ca -0.19 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1b4r n GLU 86 Cb 0.54 0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31