#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 4.31 -0.98 0.00 -1.32 0.13 -4.77 115.64 113.01 1b4r s THR 9 Ca 0.00 1.67 -0.15 0.00 -1.21 0.00 0.00 61.69 62.00 1b4r s THR 9 Cb 0.00 -3.95 0.19 0.00 -1.51 0.00 0.00 72.50 67.22 1b4r s THR 9 CO 0.00 0.14 1.07 -0.76 -2.21 0.00 0.00 174.62 172.86 1b4r s LEU 10 N -2.08 5.76 -0.55 9.08 1.02 -1.26 -1.78 118.68 128.87 1b4r s LEU 10 Ca 0.49 -2.65 -0.19 0.00 0.02 0.00 0.00 54.13 51.80 1b4r s LEU 10 Cb -0.18 -2.31 0.08 0.00 0.02 0.00 0.00 46.19 43.80 1b4r s LEU 10 CO 0.23 -0.74 0.66 -0.69 0.02 0.00 0.00 176.35 175.82 1b4r s VAL 11 N 1.12 4.87 -0.75 -1.59 1.01 -0.18 -4.95 120.40 119.93 1b4r s VAL 11 Ca 0.30 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1b4r s VAL 11 Cb -0.07 -4.40 0.21 0.00 0.00 0.00 0.00 36.38 32.13 1b4r s VAL 11 CO -0.07 -0.97 0.68 0.61 0.00 0.00 0.00 175.10 175.35 1b4r n GLY 12 N 5.24 4.34 3.78 4.51 0.00 -1.26 0.58 105.19 122.37 1b4r n GLY 12 Ca -0.09 -2.65 -0.36 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 -1.82 3.85 0.00 1.61 0.04 -0.82 -4.87 135.00 132.99 1b4r s PRO 13 Ca 0.30 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1b4r s PRO 13 Cb 0.01 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1b4r s PRO 13 CO -0.10 -0.45 0.00 -2.39 0.04 0.00 0.00 177.00 174.10 1b4r n HIS 14 N -0.47 0.00 0.00 0.56 1.44 -1.26 -1.72 115.22 113.77 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 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 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 -0.27 0.69 3.80 -1.39 0.00 -1.26 -5.00 105.19 101.75 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 1.67 4.41 -0.83 1.61 0.04 -1.26 -5.01 135.00 135.63 1b4r s PRO 16 Ca 0.00 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.27 1b4r s PRO 16 Cb 0.00 -2.51 0.20 0.00 0.04 0.00 0.00 34.50 32.24 1b4r s PRO 16 CO 0.00 0.13 0.68 -1.17 0.04 0.00 0.00 177.00 176.68 1b4r s LEU 17 N -2.59 5.28 0.63 -3.56 1.98 -1.26 -4.92 118.68 114.23 1b4r s LEU 17 Ca 0.56 -3.79 -0.01 0.00 -2.89 0.00 0.00 54.13 48.00 1b4r s LEU 17 Cb -0.14 -1.81 0.07 0.00 0.66 0.00 0.00 46.19 44.97 1b4r s LEU 17 CO 0.19 -0.14 0.88 0.00 -1.89 0.00 0.00 176.35 175.38 1b4r s ALA 18 N -1.42 3.72 -0.03 5.97 0.00 -1.26 -1.15 121.76 127.59 1b4r s ALA 18 Ca 0.27 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1b4r s ALA 18 Cb -0.06 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.84 1b4r s ALA 18 CO -0.14 -1.05 2.02 0.45 0.00 0.00 0.00 175.76 177.04 1b4r n SER 19 N -2.58 3.90 -0.26 0.00 2.88 0.21 -2.60 113.62 115.18 1b4r n SER 19 Ca 0.10 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 1b4r n SER 19 Cb 0.60 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 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 4.82 0.65 3.36 0.46 0.00 -0.22 -4.91 105.19 109.35 1b4r n GLY 20 Ca 0.23 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.88 1.34 -0.57 1.61 2.00 0.45 -4.96 119.66 118.66 1b4r s GLN 21 Ca 0.00 -1.37 -0.05 0.00 -2.00 0.00 0.00 55.36 51.94 1b4r s GLN 21 Cb 0.00 -1.64 0.15 0.00 0.80 0.00 0.00 33.01 32.31 1b4r s GLN 21 CO 0.00 0.37 0.41 -1.17 -0.50 0.00 0.00 175.29 174.39 1b4r s LEU 22 N -2.32 5.51 0.66 3.68 1.98 -1.26 -1.12 118.68 125.82 1b4r s LEU 22 Ca 0.14 -2.45 -0.12 0.00 -2.89 0.00 0.00 54.13 48.81 1b4r s LEU 22 Cb -0.09 -1.92 -0.01 0.00 0.66 0.00 0.00 46.19 44.83 1b4r s LEU 22 CO 0.07 -0.50 1.05 0.00 -1.89 0.00 0.00 176.35 175.08 1b4r s ALA 23 N 0.53 2.76 -0.17 5.97 0.00 0.10 -4.81 121.76 126.14 1b4r s ALA 23 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1b4r s ALA 23 Cb -0.21 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1b4r s ALA 23 CO -0.04 -1.05 -0.12 0.00 0.00 0.00 0.00 175.76 174.55 1b4r s ALA 24 N -2.95 1.89 0.43 0.00 0.00 -0.70 -0.11 121.76 120.32 1b4r s ALA 24 Ca 0.59 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.62 1b4r s ALA 24 Cb -0.14 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1b4r s ALA 24 CO 0.51 -0.56 0.43 -0.06 0.00 0.00 0.00 175.76 176.08 1b4r s PHE 25 N 1.46 2.60 -0.28 0.00 0.40 0.11 -1.95 117.98 120.32 1b4r s PHE 25 Ca 0.02 -0.51 -0.24 0.00 -0.60 0.00 0.00 56.93 55.60 1b4r s PHE 25 Cb -0.14 -2.19 0.12 0.00 0.51 0.00 0.00 43.02 41.31 1b4r s PHE 25 CO -0.10 -0.24 0.98 -3.38 0.70 0.00 0.00 175.22 173.18 1b4r s HIS 26 N -2.48 -0.54 0.12 0.36 -3.43 0.20 -1.22 115.29 108.29 1b4r s HIS 26 Ca 0.49 1.29 0.04 0.00 -0.80 0.00 0.00 55.06 56.08 1b4r s HIS 26 Cb -0.04 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 1b4r s HIS 26 CO 0.29 -0.26 0.11 0.42 -2.00 0.00 0.00 174.74 173.30 1b4r s ILE 27 N 0.37 4.55 -0.11 -5.38 -1.09 0.80 -1.01 121.20 119.33 1b4r s ILE 27 Ca 0.01 -0.91 -0.02 0.00 -2.23 0.00 0.00 60.65 57.51 1b4r s ILE 27 Cb -0.05 -3.26 0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1b4r s ILE 27 CO -0.06 0.01 0.01 0.00 -1.23 0.00 0.00 174.94 173.66 1b4r s ALA 28 N -1.57 0.86 0.00 9.38 0.00 -0.73 -4.76 121.76 124.93 1b4r s ALA 28 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1b4r s ALA 28 Cb -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1b4r s ALA 28 CO 0.23 -0.68 0.00 0.00 0.00 0.00 0.00 175.76 175.31 1b4r n ALA 29 N 5.10 0.00 -1.47 0.00 0.00 -1.26 0.23 120.51 123.11 1b4r n ALA 29 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1b4r n ALA 29 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 3.41 0.00 0.00 -0.04 -1.26 -4.86 135.00 132.25 1b4r n PRO 30 Ca 0.00 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1b4r n PRO 30 Cb 0.00 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 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 4.45 0.00 -3.92 1.53 4.32 -1.26 -1.81 117.00 120.31 1b4r n LEU 31 Ca 0.69 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 56.27 1b4r n LEU 31 Cb 0.29 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 1b4r n LEU 31 CO 0.87 0.00 2.38 -0.81 -1.22 0.00 0.00 177.39 178.61 1b4r n PRO 32 N -2.03 2.60 -3.63 3.23 -0.04 -1.26 -4.94 135.00 128.94 1b4r n PRO 32 Ca 0.00 -2.59 -0.36 0.00 -0.04 0.00 0.00 63.50 60.51 1b4r n PRO 32 Cb 0.00 -3.29 -0.08 0.00 -0.04 0.00 0.00 33.50 30.09 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 4.17 5.35 -0.23 0.52 1.01 -0.75 -4.68 120.40 125.79 1b4r s VAL 33 Ca 0.51 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.89 1b4r s VAL 33 Cb 0.11 -3.54 -0.12 0.00 0.00 0.00 0.00 36.38 32.83 1b4r s VAL 33 CO -0.01 0.37 0.31 0.35 0.00 0.00 0.00 175.10 176.12 1b4r n THR 34 N 3.96 0.00 -3.56 3.92 -2.24 -1.25 -4.16 114.28 110.96 1b4r n THR 34 Ca -0.14 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 1b4r n THR 34 Cb 0.52 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.26 -1.84 0.09 6.98 0.00 -1.23 -1.40 121.76 122.10 1b4r s ALA 35 Ca 0.00 1.51 -0.01 0.00 0.00 0.00 0.00 51.96 53.46 1b4r s ALA 35 Cb 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1b4r s ALA 35 CO 0.39 -0.34 0.02 -0.08 0.00 0.00 0.00 175.76 175.76 1b4r s THR 36 N -0.91 0.16 -0.32 0.00 -1.32 -0.59 -1.08 115.64 111.58 1b4r s THR 36 Ca -0.06 -1.83 0.01 0.00 -1.21 0.00 0.00 61.69 58.60 1b4r s THR 36 Cb -0.01 -1.77 0.10 0.00 -1.51 0.00 0.00 72.50 69.31 1b4r s THR 36 CO 0.05 -0.72 0.07 -0.13 -2.21 0.00 0.00 174.62 171.69 1b4r s ARG 37 N -3.98 1.03 0.83 7.08 0.52 0.17 -0.91 118.95 123.69 1b4r s ARG 37 Ca 0.15 -1.36 -0.07 0.00 -0.52 0.00 0.00 55.73 53.94 1b4r s ARG 37 Cb 0.08 -2.46 0.17 0.00 0.52 0.00 0.00 34.95 33.25 1b4r s ARG 37 CO -0.04 -0.95 1.14 -1.58 0.02 0.00 0.00 175.30 173.88 1b4r s TRP 38 N 1.35 1.39 -0.27 -0.53 0.52 0.68 0.39 118.94 122.47 1b4r s TRP 38 Ca 0.10 -0.12 -0.02 0.00 0.02 0.00 0.00 56.10 56.08 1b4r s TRP 38 Cb -0.18 -3.44 0.12 0.00 -1.15 0.00 0.00 33.47 28.82 1b4r s TRP 38 CO -0.18 -2.17 0.28 -0.51 0.02 0.00 0.00 176.95 174.39 1b4r s ASP 39 N -4.84 1.55 -0.11 2.95 1.11 0.12 0.47 116.67 117.92 1b4r s ASP 39 Ca 0.70 -0.57 -0.03 0.00 0.18 0.00 0.00 52.55 52.83 1b4r s ASP 39 Cb -0.04 0.50 -0.03 0.00 1.07 0.00 0.00 42.92 44.43 1b4r s ASP 39 CO 0.48 -0.37 0.04 -0.26 1.18 0.00 0.00 175.17 176.25 1b4r h PHE 40 N 8.27 0.00 0.00 4.23 0.04 -1.14 -2.95 116.94 125.39 1b4r h PHE 40 Ca -0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1b4r h PHE 40 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1b4r h PHE 40 CO 0.23 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.45 1b4r n GLY 41 N 1.75 0.74 2.21 -1.45 0.00 -0.64 -4.10 105.19 103.70 1b4r n GLY 41 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 5.89 0.00 1.61 5.68 -1.26 -4.73 116.55 123.74 1b4r n ASP 42 Ca 0.00 -3.60 0.00 0.00 -0.50 0.00 0.00 54.79 50.69 1b4r n ASP 42 Cb 0.00 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.06 1b4r n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4r n GLY 43 N -0.86 2.90 3.29 6.12 0.00 -1.26 -4.73 105.19 110.65 1b4r n GLY 43 Ca 0.57 -0.83 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 1b4r n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b4r s SER 44 N 0.03 6.30 0.00 1.61 0.01 -1.26 -4.98 113.70 115.40 1b4r s SER 44 Ca 0.00 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 54.99 1b4r s SER 44 Cb 0.00 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1b4r s SER 44 CO 0.00 -0.68 0.00 0.00 0.41 0.00 0.00 173.24 172.97 1b4r n ALA 45 N 4.53 0.00 -1.65 1.44 0.00 -1.26 -1.62 120.51 121.94 1b4r n ALA 45 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1b4r n ALA 45 Cb 0.43 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 1.29 -3.70 0.00 -0.58 -1.26 -1.45 120.64 114.94 1b4r n GLU 46 Ca 0.00 0.48 -0.28 0.00 -0.42 0.00 0.00 57.16 56.94 1b4r n GLU 46 Cb 0.00 -2.26 -0.16 0.00 -0.57 0.00 0.00 31.44 28.45 1b4r n GLU 46 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1b4r s VAL 47 N -1.38 0.49 -0.83 2.62 1.01 0.18 -4.79 120.40 117.70 1b4r s VAL 47 Ca 0.71 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 1b4r s VAL 47 Cb -0.46 -1.15 0.10 0.00 0.00 0.00 0.00 36.38 34.88 1b4r s VAL 47 CO 0.51 -0.39 1.10 -1.81 0.00 0.00 0.00 175.10 174.50 1b4r s ASP 48 N 1.85 6.43 0.36 3.32 1.01 -1.26 -0.23 116.67 128.15 1b4r s ASP 48 Ca 0.03 -1.54 0.07 0.00 0.71 0.00 0.00 52.55 51.82 1b4r s ASP 48 Cb -0.17 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1b4r s ASP 48 CO -0.16 -1.27 0.45 0.00 0.21 0.00 0.00 175.17 174.40 1b4r s ALA 49 N 3.52 4.22 0.11 5.23 0.00 -0.08 -4.97 121.76 129.78 1b4r s ALA 49 Ca 0.30 -1.57 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 1b4r s ALA 49 Cb -0.09 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1b4r s ALA 49 CO -0.01 -0.09 0.30 0.00 0.00 0.00 0.00 175.76 175.95 1b4r s ALA 50 N -2.26 3.89 0.00 0.00 0.00 -1.23 -1.55 121.76 120.61 1b4r s ALA 50 Ca 0.47 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1b4r s ALA 50 Cb -0.08 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1b4r s ALA 50 CO 0.30 0.74 0.00 0.41 0.00 0.00 0.00 175.76 177.22 1b4r n GLY 51 N 0.16 0.79 1.85 0.00 0.00 -0.49 -1.82 105.19 105.69 1b4r n GLY 51 Ca -0.04 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 1.72 -3.93 1.61 -0.04 -1.26 -3.05 135.00 130.04 1b4r n PRO 52 Ca 0.00 -1.39 -0.09 0.00 -0.04 0.00 0.00 63.50 61.97 1b4r n PRO 52 Cb 0.00 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.61 -0.04 0.00 0.55 0.00 -0.75 -0.14 121.76 119.76 1b4r s ALA 53 Ca 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1b4r s ALA 53 Cb 0.22 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1b4r s ALA 53 CO -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.45 1b4r n ALA 54 N 0.84 0.00 -3.48 0.00 0.00 -0.36 -3.54 120.51 113.98 1b4r n ALA 54 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.09 1b4r n ALA 54 Cb 0.58 0.00 -0.07 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 -0.66 -0.58 -0.17 0.00 1.04 -1.26 0.06 113.70 112.13 1b4r s SER 55 Ca 0.00 0.80 -0.09 0.00 0.48 0.00 0.00 55.95 57.14 1b4r s SER 55 Cb 0.00 0.75 -0.05 0.00 0.10 0.00 0.00 66.02 66.83 1b4r s SER 55 CO 0.00 -0.45 0.13 -1.00 0.98 0.00 0.00 173.24 172.90 1b4r s HIS 56 N -0.70 3.48 -0.75 5.02 3.76 0.84 -4.86 115.29 122.09 1b4r s HIS 56 Ca -0.08 0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 55.17 1b4r s HIS 56 Cb -0.02 -2.08 0.19 0.00 1.11 0.00 0.00 32.58 31.78 1b4r s HIS 56 CO 0.06 0.46 0.62 -0.98 -0.85 0.00 0.00 174.74 174.05 1b4r s ARG 57 N -0.16 3.08 0.00 1.40 1.70 -1.26 0.01 118.95 123.71 1b4r s ARG 57 Ca 0.11 -2.63 -0.21 0.00 -0.47 0.00 0.00 55.73 52.53 1b4r s ARG 57 Cb -0.11 -4.03 -0.05 0.00 -0.57 0.00 0.00 34.95 30.18 1b4r s ARG 57 CO 0.00 -1.23 0.60 0.71 -1.08 0.00 0.00 175.30 174.31 1b4r s TYR 58 N -0.20 3.69 0.00 5.89 2.02 -0.27 -4.86 117.35 123.61 1b4r s TYR 58 Ca 0.19 1.21 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 1b4r s TYR 58 Cb -0.15 -2.61 0.00 0.00 -0.40 0.00 0.00 41.96 38.80 1b4r s TYR 58 CO -0.06 0.36 0.00 1.55 -1.57 0.00 0.00 175.55 175.82 1b4r n VAL 59 N 2.69 0.00 -4.40 0.71 3.14 -1.26 -0.41 118.33 118.80 1b4r n VAL 59 Ca -0.07 -0.21 -0.32 0.00 -2.96 0.00 0.00 64.34 60.78 1b4r n VAL 59 Cb 0.51 0.80 -0.10 0.00 -1.06 0.00 0.00 33.84 33.99 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 -1.38 3.25 -0.31 6.55 0.20 -1.26 -3.73 118.68 122.00 1b4r s LEU 60 Ca 0.00 -0.12 -0.29 0.00 0.69 0.00 0.00 54.13 54.41 1b4r s LEU 60 Cb 0.00 -1.87 0.01 0.00 -0.43 0.00 0.00 46.19 43.90 1b4r s LEU 60 CO 0.00 0.28 1.20 -2.16 -0.29 0.00 0.00 176.35 175.37 1b4r s PRO 61 N -1.49 3.98 0.00 0.98 0.04 -1.26 -4.75 135.00 132.50 1b4r s PRO 61 Ca 0.18 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1b4r s PRO 61 Cb -0.11 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1b4r s PRO 61 CO 0.09 -1.03 0.00 0.41 0.04 0.00 0.00 177.00 176.51 1b4r n GLY 62 N 4.13 -0.59 3.53 0.56 0.00 0.39 -4.97 105.19 108.24 1b4r n GLY 62 Ca 0.13 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.60 1.88 0.07 1.61 3.00 -1.26 0.07 118.95 122.71 1b4r s ARG 63 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 55.73 54.07 1b4r s ARG 63 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 34.95 33.01 1b4r s ARG 63 CO 0.00 0.34 0.00 0.71 0.00 0.00 0.00 175.30 176.36 1b4r s TYR 64 N -2.41 0.54 0.01 -0.53 2.02 0.58 -4.88 117.35 112.67 1b4r s TYR 64 Ca 0.30 -1.05 0.08 0.00 -0.37 0.00 0.00 57.07 56.03 1b4r s TYR 64 Cb -0.06 -0.37 -0.02 0.00 -0.40 0.00 0.00 41.96 41.11 1b4r s TYR 64 CO 0.16 -0.42 -0.24 -1.58 -1.57 0.00 0.00 175.55 171.91 1b4r s HIS 65 N -3.93 2.10 0.10 2.71 5.65 -1.26 -0.66 115.29 119.99 1b4r s HIS 65 Ca 0.09 -0.40 0.08 0.00 0.25 0.00 0.00 55.06 55.09 1b4r s HIS 65 Cb 0.08 -1.31 -0.03 0.00 -1.18 0.00 0.00 32.58 30.13 1b4r s HIS 65 CO -0.08 0.03 -0.21 0.08 -0.65 0.00 0.00 174.74 173.91 1b4r s VAL 66 N -0.66 1.70 0.12 0.89 1.01 0.45 -4.49 120.40 119.41 1b4r s VAL 66 Ca 0.09 -1.51 -0.12 0.00 0.00 0.00 0.00 61.98 60.44 1b4r s VAL 66 Cb -0.09 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1b4r s VAL 66 CO 0.00 -0.04 0.30 0.42 0.00 0.00 0.00 175.10 175.78 1b4r s THR 67 N -1.13 0.10 0.03 3.92 -4.23 -1.11 0.17 115.64 113.38 1b4r s THR 67 Ca 0.06 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.49 1b4r s THR 67 Cb -0.10 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.45 1b4r s THR 67 CO 0.04 -0.45 0.37 0.00 -0.54 0.00 0.00 174.62 174.04 1b4r s ALA 68 N -3.85 -0.90 -0.13 3.99 0.00 -0.49 0.12 121.76 120.51 1b4r s ALA 68 Ca 0.05 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.28 1b4r s ALA 68 Cb 0.03 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1b4r s ALA 68 CO -0.10 -0.40 -0.13 0.08 0.00 0.00 0.00 175.76 175.21 1b4r s VAL 69 N -2.22 1.41 0.12 0.00 1.01 0.16 -0.03 120.40 120.85 1b4r s VAL 69 Ca -0.07 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 1b4r s VAL 69 Cb -0.02 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 1b4r s VAL 69 CO -0.01 0.43 0.61 -0.76 0.00 0.00 0.00 175.10 175.37 1b4r s LEU 70 N 1.36 4.48 -0.22 3.92 2.01 -0.51 0.44 118.68 130.15 1b4r s LEU 70 Ca 0.01 1.30 -0.01 0.00 0.01 0.00 0.00 54.13 55.43 1b4r s LEU 70 Cb -0.13 -3.11 0.06 0.00 0.01 0.00 0.00 46.19 43.02 1b4r s LEU 70 CO -0.07 0.20 0.01 0.00 1.01 0.00 0.00 176.35 177.50 1b4r s ALA 71 N -1.24 1.45 -0.72 4.21 0.00 -0.24 -3.30 121.76 121.92 1b4r s ALA 71 Ca 0.33 -1.06 0.17 0.00 0.00 0.00 0.00 51.96 51.41 1b4r s ALA 71 Cb -0.19 -1.32 -0.19 0.00 0.00 0.00 0.00 23.12 21.42 1b4r s ALA 71 CO 0.20 -1.23 0.68 1.28 0.00 0.00 0.00 175.76 176.70 1b4r n LEU 72 N 4.87 0.71 0.00 0.00 4.32 -0.42 -3.48 117.00 123.01 1b4r n LEU 72 Ca -0.09 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.45 1b4r n LEU 72 Cb 0.45 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1b4r n LEU 72 CO 0.15 0.18 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 1b4r n GLY 73 N 1.41 3.24 0.03 -0.72 0.00 -1.26 -4.64 105.19 103.25 1b4r n GLY 73 Ca 0.03 -0.90 0.01 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 2.34 -2.14 4.61 0.00 -1.26 -5.05 120.51 119.01 1b4r n ALA 74 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.09 1b4r n ALA 74 Cb 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.72 0.90 0.27 0.00 0.00 -1.26 -5.17 107.32 101.34 1b4r s GLY 75 Ca 0.01 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.27 1b4r s GLY 75 CO 0.05 -1.37 0.42 -1.14 0.00 0.00 0.00 173.10 171.06 1b4r n SER 76 N -0.06 -1.17 -3.66 1.64 3.41 -1.26 -1.31 113.62 111.21 1b4r n SER 76 Ca -0.07 -2.37 -0.13 0.00 -0.26 0.00 0.00 58.87 56.04 1b4r n SER 76 Cb 0.63 2.12 -0.06 0.00 -0.26 0.00 0.00 64.21 66.63 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 -2.32 -1.01 -0.18 7.33 0.00 -1.21 -4.81 121.76 119.56 1b4r s ALA 77 Ca 0.20 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 1b4r s ALA 77 Cb -0.01 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1b4r s ALA 77 CO 0.14 -0.46 -0.08 -0.51 0.00 0.00 0.00 175.76 174.85 1b4r s LEU 78 N -2.02 2.82 0.19 0.00 1.02 -1.26 -1.42 118.68 118.01 1b4r s LEU 78 Ca -0.05 -0.36 0.09 0.00 0.02 0.00 0.00 54.13 53.83 1b4r s LEU 78 Cb -0.01 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 1b4r s LEU 78 CO -0.03 0.07 -0.09 -0.76 0.02 0.00 0.00 176.35 175.56 1b4r s LEU 79 N 0.92 2.98 -0.37 1.79 2.01 0.95 -4.16 118.68 122.81 1b4r s LEU 79 Ca -0.02 -0.61 0.03 0.00 0.01 0.00 0.00 54.13 53.54 1b4r s LEU 79 Cb -0.15 -1.64 0.18 0.00 0.01 0.00 0.00 46.19 44.60 1b4r s LEU 79 CO 0.00 0.09 0.75 -0.83 1.01 0.00 0.00 176.35 177.37 1b4r s GLY 80 N -2.95 -1.32 0.51 -3.19 0.00 -1.25 -1.40 107.32 97.72 1b4r s GLY 80 Ca 0.26 0.67 0.07 0.00 0.00 0.00 0.00 44.72 45.72 1b4r s GLY 80 CO 0.16 3.85 0.48 -0.51 0.00 0.00 0.00 173.10 177.07 1b4r s THR 81 N 2.04 2.07 0.26 0.90 -4.23 0.13 -4.92 115.64 111.89 1b4r s THR 81 Ca 0.16 -1.34 0.10 0.00 -1.18 0.00 0.00 61.69 59.43 1b4r s THR 81 Cb -0.03 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.35 1b4r s THR 81 CO -0.12 0.00 -0.18 1.51 -0.54 0.00 0.00 174.62 175.30 1b4r s ASP 82 N -4.31 3.27 -0.01 3.99 -4.77 -1.26 -0.41 116.67 113.16 1b4r s ASP 82 Ca 0.44 -1.04 -0.06 0.00 -3.30 0.00 0.00 52.55 48.59 1b4r s ASP 82 Cb -0.03 -0.25 0.00 0.00 -1.09 0.00 0.00 42.92 41.55 1b4r s ASP 82 CO 0.27 -0.04 0.13 -0.69 0.70 0.00 0.00 175.17 175.53 1b4r s VAL 83 N -2.67 0.07 -0.31 2.11 1.01 0.16 -4.84 120.40 115.94 1b4r s VAL 83 Ca 0.28 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1b4r s VAL 83 Cb -0.03 -0.37 0.10 0.00 0.00 0.00 0.00 36.38 36.09 1b4r s VAL 83 CO 0.13 -0.30 0.13 -1.10 0.00 0.00 0.00 175.10 173.96 1b4r s GLN 84 N -1.03 0.41 -0.07 2.72 -0.21 -1.26 -0.31 119.66 119.91 1b4r s GLN 84 Ca -0.11 -0.80 -0.11 0.00 0.02 0.00 0.00 55.36 54.36 1b4r s GLN 84 Cb -0.06 -1.47 -0.05 0.00 1.00 0.00 0.00 33.01 32.43 1b4r s GLN 84 CO 0.01 -1.03 0.26 0.08 -2.12 0.00 0.00 175.29 172.50 1b4r s VAL 85 N 1.82 5.29 0.00 1.09 1.01 0.11 -4.79 120.40 124.93 1b4r s VAL 85 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1b4r s VAL 85 Cb -0.17 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1b4r s VAL 85 CO -0.29 0.60 0.00 -0.62 0.00 0.00 0.00 175.10 174.78 1b4r n GLU 86 N 1.93 3.56 0.00 2.72 -0.58 -0.30 -0.46 120.64 127.51 1b4r n GLU 86 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1b4r n GLU 86 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65