#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 4.61 -0.72 0.00 -1.32 0.25 -4.77 115.64 113.70 1b4r s THR 9 Ca 0.00 1.34 -0.16 0.00 -1.21 0.00 0.00 61.69 61.66 1b4r s THR 9 Cb 0.00 -3.95 0.16 0.00 -1.51 0.00 0.00 72.50 67.20 1b4r s THR 9 CO 0.00 0.47 0.74 -0.76 -2.21 0.00 0.00 174.62 172.86 1b4r s LEU 10 N -1.31 6.05 -0.29 9.08 1.02 -1.26 -1.92 118.68 130.05 1b4r s LEU 10 Ca 0.34 -2.08 -0.07 0.00 0.02 0.00 0.00 54.13 52.33 1b4r s LEU 10 Cb -0.20 -2.26 -0.00 0.00 0.02 0.00 0.00 46.19 43.75 1b4r s LEU 10 CO 0.21 -0.84 0.09 -0.69 0.02 0.00 0.00 176.35 175.14 1b4r s VAL 11 N 1.48 4.16 -0.63 -1.59 1.01 -0.34 -5.01 120.40 119.49 1b4r s VAL 11 Ca 0.15 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1b4r s VAL 11 Cb -0.17 -3.10 0.24 0.00 0.00 0.00 0.00 36.38 33.34 1b4r s VAL 11 CO -0.02 0.13 0.68 0.61 0.00 0.00 0.00 175.10 176.50 1b4r n GLY 12 N 4.90 4.50 3.79 4.51 0.00 -1.26 0.50 105.19 122.13 1b4r n GLY 12 Ca -0.15 -2.63 -0.34 0.00 0.00 0.00 0.00 46.02 42.91 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 -2.18 3.62 0.00 1.61 0.04 -0.98 -4.59 135.00 132.52 1b4r s PRO 13 Ca 0.37 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1b4r s PRO 13 Cb 0.12 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1b4r s PRO 13 CO -0.05 -0.59 0.00 1.58 0.04 0.00 0.00 177.00 177.98 1b4r n HIS 14 N -1.22 0.00 0.00 0.56 -0.00 -1.26 -1.72 115.22 111.58 1b4r n HIS 14 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1b4r n HIS 14 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 1b4r n HIS 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1b4r n GLY 15 N 0.00 0.21 3.80 1.57 0.00 -1.26 -5.01 105.19 104.50 1b4r n GLY 15 Ca 0.00 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.41 1.61 0.04 -1.26 -5.03 135.00 134.07 1b4r s PRO 16 Ca 0.00 1.26 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 1b4r s PRO 16 Cb 0.00 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1b4r s PRO 16 CO 0.00 -0.14 0.26 -0.51 0.04 0.00 0.00 177.00 176.64 1b4r s LEU 17 N -3.11 5.05 0.52 -3.56 2.01 -1.26 -5.01 118.68 113.32 1b4r s LEU 17 Ca 0.62 -1.31 0.01 0.00 0.01 0.00 0.00 54.13 53.46 1b4r s LEU 17 Cb -0.14 -2.02 0.02 0.00 0.01 0.00 0.00 46.19 44.07 1b4r s LEU 17 CO 0.18 -0.50 0.75 0.00 1.01 0.00 0.00 176.35 177.79 1b4r s ALA 18 N 1.49 3.88 -0.04 4.21 0.00 -1.26 -1.13 121.76 128.91 1b4r s ALA 18 Ca 0.03 -1.27 -0.33 0.00 0.00 0.00 0.00 51.96 50.38 1b4r s ALA 18 Cb -0.22 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 20.71 1b4r s ALA 18 CO 0.04 -0.65 1.89 0.45 0.00 0.00 0.00 175.76 177.49 1b4r n SER 19 N -2.27 3.63 -0.70 0.00 2.88 0.20 -1.55 113.62 115.81 1b4r n SER 19 Ca 0.06 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 1b4r n SER 19 Cb 0.59 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 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 4.39 0.75 3.55 0.46 0.00 0.27 -4.93 105.19 109.67 1b4r n GLY 20 Ca 0.22 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.51 2.21 -0.55 1.61 2.00 0.62 -4.94 119.66 116.09 1b4r s GLN 21 Ca 0.00 -0.94 -0.07 0.00 -2.00 0.00 0.00 55.36 52.34 1b4r s GLN 21 Cb 0.00 -2.32 0.14 0.00 0.80 0.00 0.00 33.01 31.63 1b4r s GLN 21 CO 0.00 0.54 0.40 -1.17 -0.50 0.00 0.00 175.29 174.56 1b4r s LEU 22 N -1.82 5.65 0.57 3.68 1.98 -1.26 -1.16 118.68 126.33 1b4r s LEU 22 Ca 0.18 -2.27 -0.14 0.00 -2.89 0.00 0.00 54.13 49.01 1b4r s LEU 22 Cb -0.11 -1.97 -0.05 0.00 0.66 0.00 0.00 46.19 44.72 1b4r s LEU 22 CO 0.10 -0.57 1.01 0.00 -1.89 0.00 0.00 176.35 175.00 1b4r s ALA 23 N 0.81 3.00 -0.26 5.97 0.00 0.57 -4.82 121.76 127.03 1b4r s ALA 23 Ca 0.10 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1b4r s ALA 23 Cb -0.22 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.84 1b4r s ALA 23 CO -0.03 -0.52 -0.08 0.00 0.00 0.00 0.00 175.76 175.13 1b4r s ALA 24 N -2.80 2.43 0.45 0.00 0.00 -0.70 -0.02 121.76 121.13 1b4r s ALA 24 Ca 0.58 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.83 1b4r s ALA 24 Cb -0.11 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1b4r s ALA 24 CO 0.41 -1.25 0.65 -0.06 0.00 0.00 0.00 175.76 175.51 1b4r s PHE 25 N 1.16 3.06 -0.27 0.00 0.40 0.14 -2.31 117.98 120.16 1b4r s PHE 25 Ca -0.06 0.01 -0.21 0.00 -0.60 0.00 0.00 56.93 56.08 1b4r s PHE 25 Cb -0.20 -2.38 0.07 0.00 0.51 0.00 0.00 43.02 41.02 1b4r s PHE 25 CO -0.06 -0.45 0.70 -3.38 0.70 0.00 0.00 175.22 172.73 1b4r s HIS 26 N -2.52 -0.89 0.12 0.36 -3.43 0.18 -1.54 115.29 107.57 1b4r s HIS 26 Ca 0.51 1.99 0.06 0.00 -0.80 0.00 0.00 55.06 56.81 1b4r s HIS 26 Cb -0.10 0.42 -0.04 0.00 -1.43 0.00 0.00 32.58 31.43 1b4r s HIS 26 CO 0.36 -0.44 0.02 0.42 -2.00 0.00 0.00 174.74 173.10 1b4r s ILE 27 N 0.89 3.99 -0.01 -5.38 -1.09 -0.05 -1.19 121.20 118.36 1b4r s ILE 27 Ca -0.04 -1.13 0.01 0.00 -2.23 0.00 0.00 60.65 57.26 1b4r s ILE 27 Cb -0.05 -2.95 0.01 0.00 -1.58 0.00 0.00 42.46 37.89 1b4r s ILE 27 CO -0.08 0.02 -0.03 0.00 -1.23 0.00 0.00 174.94 173.63 1b4r s ALA 28 N -1.49 0.36 0.00 9.38 0.00 -0.81 -4.75 121.76 124.45 1b4r s ALA 28 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1b4r s ALA 28 Cb -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1b4r s ALA 28 CO 0.19 0.03 0.00 0.00 0.00 0.00 0.00 175.76 175.98 1b4r n ALA 29 N 3.41 0.00 -1.94 0.00 0.00 -1.26 0.85 120.51 121.57 1b4r n ALA 29 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1b4r n ALA 29 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 2.87 0.00 0.00 -0.04 -1.26 -4.87 135.00 131.70 1b4r n PRO 30 Ca 0.00 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 1b4r n PRO 30 Cb 0.00 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.12 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 6.92 0.00 -3.43 1.53 4.77 -1.26 -0.93 117.00 124.60 1b4r n LEU 31 Ca 0.51 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 56.11 1b4r n LEU 31 Cb 0.41 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1b4r n LEU 31 CO 0.87 0.00 2.99 -0.81 -1.33 0.00 0.00 177.39 179.11 1b4r n PRO 32 N -2.24 3.11 -2.86 3.23 -0.04 -1.26 -4.95 135.00 129.99 1b4r n PRO 32 Ca 0.00 -2.19 -0.34 0.00 -0.04 0.00 0.00 63.50 60.93 1b4r n PRO 32 Cb 0.00 -2.90 -0.07 0.00 -0.04 0.00 0.00 33.50 30.50 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 2.81 4.39 0.00 0.52 1.01 -0.10 -4.96 120.40 124.06 1b4r s VAL 33 Ca 0.59 1.51 0.00 0.00 0.00 0.00 0.00 61.98 64.07 1b4r s VAL 33 Cb 0.16 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1b4r s VAL 33 CO -0.05 -0.16 0.00 1.07 0.00 0.00 0.00 175.10 175.96 1b4r n THR 34 N -0.23 0.00 -3.65 3.92 5.66 -1.26 -4.41 114.28 114.31 1b4r n THR 34 Ca 0.05 -0.08 -0.04 0.00 -3.05 0.00 0.00 64.05 60.93 1b4r n THR 34 Cb 0.53 0.57 -0.07 0.00 -1.55 0.00 0.00 70.33 69.81 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 -1.79 -2.20 -0.05 1.79 0.00 -1.19 -0.31 121.76 118.01 1b4r s ALA 35 Ca 0.00 1.74 0.04 0.00 0.00 0.00 0.00 51.96 53.74 1b4r s ALA 35 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1b4r s ALA 35 CO 0.00 -0.14 -0.16 -0.08 0.00 0.00 0.00 175.76 175.38 1b4r s THR 36 N 0.14 1.35 -0.37 0.00 -1.32 -0.33 -1.55 115.64 113.56 1b4r s THR 36 Ca 0.06 -0.66 -0.19 0.00 -1.21 0.00 0.00 61.69 59.69 1b4r s THR 36 Cb -0.05 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 1b4r s THR 36 CO -0.14 0.39 0.55 -0.13 -2.21 0.00 0.00 174.62 173.09 1b4r s ARG 37 N 0.17 3.55 0.57 7.08 0.52 0.12 -1.19 118.95 129.77 1b4r s ARG 37 Ca -0.06 -0.19 0.08 0.00 -0.52 0.00 0.00 55.73 55.04 1b4r s ARG 37 Cb -0.12 -3.84 0.10 0.00 0.52 0.00 0.00 34.95 31.60 1b4r s ARG 37 CO 0.03 -0.73 0.79 0.91 0.02 0.00 0.00 175.30 176.32 1b4r n TRP 38 N 5.86 -2.39 -3.34 -0.53 7.02 0.34 0.16 117.44 124.56 1b4r n TRP 38 Ca -0.04 -1.99 -0.11 0.00 -1.02 0.00 0.00 57.50 54.34 1b4r n TRP 38 Cb 0.49 -0.55 -0.08 0.00 -2.42 0.00 0.00 31.31 28.76 1b4r n TRP 38 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1b4r s ASP 39 N -4.49 0.65 -0.05 -0.99 -1.08 0.13 0.53 116.67 111.37 1b4r s ASP 39 Ca 0.59 -0.28 -0.00 0.00 -0.52 0.00 0.00 52.55 52.34 1b4r s ASP 39 Cb -0.05 0.96 -0.00 0.00 -1.46 0.00 0.00 42.92 42.37 1b4r s ASP 39 CO 0.38 -0.34 -0.01 -0.26 0.52 0.00 0.00 175.17 175.45 1b4r h PHE 40 N 8.19 0.00 0.00 -5.34 0.04 -0.91 -2.86 116.94 116.06 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 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 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 1.88 0.62 2.05 -1.45 0.00 -0.62 -4.33 105.19 103.34 1b4r n GLY 41 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 5.38 0.00 1.61 5.68 -1.26 -4.70 116.55 123.26 1b4r n ASP 42 Ca 0.00 -3.37 0.00 0.00 -0.50 0.00 0.00 54.79 50.92 1b4r n ASP 42 Cb 0.00 -0.89 0.00 0.00 -1.14 0.00 0.00 41.12 39.09 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 -0.58 2.58 3.25 6.12 0.00 -1.26 -4.68 105.19 110.61 1b4r n GLY 43 Ca 0.48 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.02 6.12 0.00 1.61 0.01 -1.26 -4.99 113.70 115.18 1b4r s SER 44 Ca 0.00 -2.40 0.00 0.00 1.31 0.00 0.00 55.95 54.86 1b4r s SER 44 Cb 0.00 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1b4r s SER 44 CO 0.00 -0.61 0.00 0.00 0.41 0.00 0.00 173.24 173.04 1b4r n ALA 45 N 4.30 0.00 -1.57 1.44 0.00 -1.26 -1.59 120.51 121.82 1b4r n ALA 45 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 1b4r n ALA 45 Cb 0.43 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 1.01 -3.89 0.00 1.02 -1.26 -1.37 120.64 116.15 1b4r n GLU 46 Ca 0.00 0.37 -0.16 0.00 -0.02 0.00 0.00 57.16 57.35 1b4r n GLU 46 Cb 0.00 -1.97 -0.16 0.00 -0.02 0.00 0.00 31.44 29.29 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 -1.44 0.10 -0.55 2.62 1.01 0.19 -4.78 120.40 117.55 1b4r s VAL 47 Ca 0.68 0.11 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 1b4r s VAL 47 Cb -0.50 -0.20 0.14 0.00 0.00 0.00 0.00 36.38 35.82 1b4r s VAL 47 CO 0.54 0.12 0.37 -1.81 0.00 0.00 0.00 175.10 174.32 1b4r s ASP 48 N 0.95 5.38 0.02 3.32 1.11 -1.26 -0.50 116.67 125.69 1b4r s ASP 48 Ca -0.09 -2.47 -0.01 0.00 0.18 0.00 0.00 52.55 50.16 1b4r s ASP 48 Cb -0.13 -1.88 -0.04 0.00 1.07 0.00 0.00 42.92 41.94 1b4r s ASP 48 CO -0.02 -0.48 0.18 0.00 1.18 0.00 0.00 175.17 176.04 1b4r s ALA 49 N 0.51 3.95 0.41 5.23 0.00 -0.33 -4.98 121.76 126.54 1b4r s ALA 49 Ca 0.13 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 1b4r s ALA 49 Cb -0.21 -1.83 -0.09 0.00 0.00 0.00 0.00 23.12 20.99 1b4r s ALA 49 CO -0.04 0.78 0.87 0.00 0.00 0.00 0.00 175.76 177.37 1b4r s ALA 50 N -1.40 3.18 0.00 0.00 0.00 -1.23 -1.19 121.76 121.12 1b4r s ALA 50 Ca 0.30 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1b4r s ALA 50 Cb -0.13 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1b4r s ALA 50 CO 0.23 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.48 1b4r n GLY 51 N -0.88 0.74 1.81 0.00 0.00 0.58 -1.95 105.19 105.49 1b4r n GLY 51 Ca 0.05 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 1.67 -3.84 1.61 -0.04 -1.26 -2.20 135.00 130.94 1b4r n PRO 52 Ca 0.00 -1.32 -0.12 0.00 -0.04 0.00 0.00 63.50 62.03 1b4r n PRO 52 Cb 0.00 -1.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.53 -0.42 0.34 0.55 0.00 -0.82 -0.87 121.76 119.02 1b4r s ALA 53 Ca 0.26 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.26 1b4r s ALA 53 Cb 0.20 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.33 1b4r s ALA 53 CO -0.00 -0.17 0.62 0.00 0.00 0.00 0.00 175.76 176.20 1b4r n ALA 54 N 1.94 -1.15 -2.82 0.00 0.00 -0.59 -3.53 120.51 114.36 1b4r n ALA 54 Ca -0.19 -1.25 -0.09 0.00 0.00 0.00 0.00 53.44 51.91 1b4r n ALA 54 Cb 0.57 1.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.91 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 -2.89 0.23 -0.09 0.00 1.04 -1.26 0.29 113.70 111.01 1b4r s SER 55 Ca 0.18 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1b4r s SER 55 Cb -0.03 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 1b4r s SER 55 CO 0.13 -0.40 -0.02 -1.00 0.98 0.00 0.00 173.24 172.93 1b4r s HIS 56 N -2.05 3.08 -0.65 5.02 3.76 0.98 -4.87 115.29 120.56 1b4r s HIS 56 Ca -0.10 0.09 -0.03 0.00 -0.15 0.00 0.00 55.06 54.87 1b4r s HIS 56 Cb -0.05 -1.79 0.17 0.00 1.11 0.00 0.00 32.58 32.02 1b4r s HIS 56 CO -0.03 0.37 0.47 -0.98 -0.85 0.00 0.00 174.74 173.73 1b4r s ARG 57 N -0.72 2.65 -0.10 1.40 1.70 -1.26 -0.32 118.95 122.31 1b4r s ARG 57 Ca 0.11 -2.59 -0.20 0.00 -0.47 0.00 0.00 55.73 52.59 1b4r s ARG 57 Cb -0.11 -3.77 -0.04 0.00 -0.57 0.00 0.00 34.95 30.45 1b4r s ARG 57 CO 0.02 -1.19 0.54 0.71 -1.08 0.00 0.00 175.30 174.31 1b4r s TYR 58 N -0.16 3.54 -0.04 5.89 2.02 -0.31 -4.82 117.35 123.48 1b4r s TYR 58 Ca 0.18 1.01 0.03 0.00 -0.37 0.00 0.00 57.07 57.91 1b4r s TYR 58 Cb -0.19 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 1b4r s TYR 58 CO -0.04 0.16 0.01 1.55 -1.57 0.00 0.00 175.55 175.66 1b4r n VAL 59 N 3.64 0.24 -3.94 0.71 3.14 -1.26 -0.28 118.33 120.57 1b4r n VAL 59 Ca -0.05 -0.14 -0.33 0.00 -2.96 0.00 0.00 64.34 60.85 1b4r n VAL 59 Cb 0.51 -0.89 -0.05 0.00 -1.06 0.00 0.00 33.84 32.36 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 -4.34 4.27 -0.16 6.55 0.20 -1.26 -3.03 118.68 120.92 1b4r s LEU 60 Ca -0.02 0.29 -0.29 0.00 0.69 0.00 0.00 54.13 54.80 1b4r s LEU 60 Cb 0.01 -2.60 -0.01 0.00 -0.43 0.00 0.00 46.19 43.16 1b4r s LEU 60 CO 0.14 0.25 1.17 -2.16 -0.29 0.00 0.00 176.35 175.46 1b4r s PRO 61 N -2.00 4.28 0.00 0.98 0.04 -1.26 -4.75 135.00 132.28 1b4r s PRO 61 Ca 0.28 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1b4r s PRO 61 Cb -0.13 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1b4r s PRO 61 CO 0.19 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1b4r n GLY 62 N 3.45 -0.52 3.31 0.56 0.00 0.90 -4.94 105.19 107.94 1b4r n GLY 62 Ca 0.12 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.55 3.36 0.03 1.61 3.52 -1.26 0.41 118.95 125.07 1b4r s ARG 63 Ca 0.00 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 1b4r s ARG 63 Cb 0.00 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1b4r s ARG 63 CO 0.00 -0.17 0.07 0.71 -0.81 0.00 0.00 175.30 175.11 1b4r s TYR 64 N 1.38 3.23 -0.16 5.12 2.02 -0.12 -4.92 117.35 123.90 1b4r s TYR 64 Ca 0.05 0.15 -0.06 0.00 -0.37 0.00 0.00 57.07 56.83 1b4r s TYR 64 Cb -0.14 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1b4r s TYR 64 CO -0.03 0.53 0.05 -1.58 -1.57 0.00 0.00 175.55 172.95 1b4r s HIS 65 N -1.26 3.25 0.10 2.71 5.65 -1.26 -1.28 115.29 123.20 1b4r s HIS 65 Ca 0.25 0.10 0.07 0.00 0.25 0.00 0.00 55.06 55.74 1b4r s HIS 65 Cb -0.12 -2.01 -0.04 0.00 -1.18 0.00 0.00 32.58 29.23 1b4r s HIS 65 CO 0.17 0.24 -0.12 0.08 -0.65 0.00 0.00 174.74 174.46 1b4r s VAL 66 N 0.05 3.26 0.03 0.89 1.01 0.76 -4.59 120.40 121.81 1b4r s VAL 66 Ca 0.05 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 1b4r s VAL 66 Cb -0.12 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.76 1b4r s VAL 66 CO 0.01 0.14 0.25 0.42 0.00 0.00 0.00 175.10 175.91 1b4r s THR 67 N -1.18 0.09 0.15 3.92 -4.23 -1.08 -0.38 115.64 112.93 1b4r s THR 67 Ca 0.20 -0.75 -0.13 0.00 -1.18 0.00 0.00 61.69 59.84 1b4r s THR 67 Cb -0.11 -0.85 0.01 0.00 1.34 0.00 0.00 72.50 72.89 1b4r s THR 67 CO 0.12 -0.41 0.36 0.00 -0.54 0.00 0.00 174.62 174.15 1b4r s ALA 68 N -2.33 -0.49 -0.23 3.99 0.00 -0.50 0.18 121.76 122.38 1b4r s ALA 68 Ca -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1b4r s ALA 68 Cb -0.02 0.76 0.12 0.00 0.00 0.00 0.00 23.12 23.98 1b4r s ALA 68 CO -0.02 -0.66 0.37 0.54 0.00 0.00 0.00 175.76 175.98 1b4r s VAL 69 N -3.89 -0.59 0.14 0.00 0.11 0.12 0.51 120.40 116.81 1b4r s VAL 69 Ca 0.10 -0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1b4r s VAL 69 Cb 0.02 -0.76 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 1b4r s VAL 69 CO -0.05 -0.08 0.59 -0.76 -3.33 0.00 0.00 175.10 171.47 1b4r s LEU 70 N 2.54 4.41 -0.18 2.54 1.43 -0.05 0.15 118.68 129.52 1b4r s LEU 70 Ca 0.09 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.41 1b4r s LEU 70 Cb -0.15 -3.21 0.03 0.00 0.03 0.00 0.00 46.19 42.90 1b4r s LEU 70 CO -0.15 0.15 -0.15 0.00 0.23 0.00 0.00 176.35 176.43 1b4r s ALA 71 N -1.35 2.11 -0.43 4.21 0.00 -0.60 -2.39 121.76 123.30 1b4r s ALA 71 Ca 0.36 -1.16 0.15 0.00 0.00 0.00 0.00 51.96 51.31 1b4r s ALA 71 Cb -0.17 -1.20 -0.19 0.00 0.00 0.00 0.00 23.12 21.56 1b4r s ALA 71 CO 0.20 -0.56 0.52 1.28 0.00 0.00 0.00 175.76 177.20 1b4r n LEU 72 N 4.67 0.43 0.00 0.00 4.77 -0.22 -4.18 117.00 122.47 1b4r n LEU 72 Ca -0.17 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 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 0.23 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1b4r n GLY 73 N 1.46 3.16 0.17 -0.72 0.00 -1.26 -4.65 105.19 103.35 1b4r n GLY 73 Ca 0.01 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.21 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 2.97 -2.76 4.61 0.00 -1.26 -5.02 120.51 119.05 1b4r n ALA 74 Ca 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 1b4r n ALA 74 Cb 0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.53 -0.04 0.16 0.00 0.00 -1.26 -5.18 107.32 99.47 1b4r s GLY 75 Ca 0.07 -0.39 -0.12 0.00 0.00 0.00 0.00 44.72 44.28 1b4r s GLY 75 CO 0.30 -0.60 0.36 -1.35 0.00 0.00 0.00 173.10 171.81 1b4r s SER 76 N -2.84 -0.07 0.12 1.64 1.04 -1.26 -1.05 113.70 111.28 1b4r s SER 76 Ca 0.05 -0.68 -0.00 0.00 0.48 0.00 0.00 55.95 55.80 1b4r s SER 76 Cb 0.03 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1b4r s SER 76 CO -0.11 -0.92 0.02 0.00 0.98 0.00 0.00 173.24 173.21 1b4r s ALA 77 N -3.91 0.92 0.12 5.32 0.00 -1.00 -4.90 121.76 118.30 1b4r s ALA 77 Ca 0.12 -1.44 0.09 0.00 0.00 0.00 0.00 51.96 50.73 1b4r s ALA 77 Cb 0.02 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1b4r s ALA 77 CO -0.03 -0.41 -0.23 -0.51 0.00 0.00 0.00 175.76 174.58 1b4r s LEU 78 N -3.05 2.32 0.14 0.00 1.43 -1.26 -0.87 118.68 117.38 1b4r s LEU 78 Ca 0.20 -0.72 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 1b4r s LEU 78 Cb 0.07 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1b4r s LEU 78 CO -0.00 0.10 -0.09 -0.22 0.23 0.00 0.00 176.35 176.37 1b4r s LEU 79 N -2.02 2.50 -0.30 1.79 1.98 0.18 -2.51 118.68 120.30 1b4r s LEU 79 Ca 0.10 -1.03 -0.08 0.00 -2.89 0.00 0.00 54.13 50.24 1b4r s LEU 79 Cb -0.10 -0.28 0.19 0.00 0.66 0.00 0.00 46.19 46.66 1b4r s LEU 79 CO 0.05 -0.37 0.96 -0.83 -1.89 0.00 0.00 176.35 174.27 1b4r s GLY 80 N -3.15 -1.01 0.13 7.98 0.00 -1.26 -1.41 107.32 108.60 1b4r s GLY 80 Ca 0.17 1.89 0.00 0.00 0.00 0.00 0.00 44.72 46.78 1b4r s GLY 80 CO 0.00 4.03 0.00 -1.30 0.00 0.00 0.00 173.10 175.84 1b4r n THR 81 N 5.14 0.00 -3.73 0.90 -2.24 0.49 -4.93 114.28 109.91 1b4r n THR 81 Ca 0.09 -0.61 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 1b4r n THR 81 Cb 0.57 0.13 -0.09 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.70 -0.33 0.02 3.42 -1.08 -1.26 -0.17 116.67 115.57 1b4r s ASP 82 Ca 0.00 0.47 0.03 0.00 -0.52 0.00 0.00 52.55 52.53 1b4r s ASP 82 Cb 0.00 0.56 -0.02 0.00 -1.46 0.00 0.00 42.92 42.01 1b4r s ASP 82 CO 0.00 -0.31 -0.11 0.54 0.52 0.00 0.00 175.17 175.81 1b4r s VAL 83 N -0.60 0.82 -0.81 1.11 0.11 -0.41 -4.96 120.40 115.66 1b4r s VAL 83 Ca -0.07 -0.75 -0.06 0.00 -2.93 0.00 0.00 61.98 58.17 1b4r s VAL 83 Cb -0.04 -0.75 0.21 0.00 -1.53 0.00 0.00 36.38 34.27 1b4r s VAL 83 CO 0.03 0.00 0.70 -1.58 -3.33 0.00 0.00 175.10 170.92 1b4r s GLN 84 N -0.84 3.22 0.15 1.54 0.74 -1.26 -0.94 119.66 122.27 1b4r s GLN 84 Ca 0.00 -2.84 -0.30 0.00 0.05 0.00 0.00 55.36 52.26 1b4r s GLN 84 Cb -0.06 -4.05 -0.08 0.00 1.10 0.00 0.00 33.01 29.91 1b4r s GLN 84 CO 0.00 -1.24 1.31 0.08 -0.55 0.00 0.00 175.29 174.89 1b4r s VAL 85 N -0.58 3.40 0.00 1.34 1.01 0.17 -4.61 120.40 121.13 1b4r s VAL 85 Ca 0.22 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1b4r s VAL 85 Cb -0.13 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1b4r s VAL 85 CO -0.08 0.13 0.00 -0.62 0.00 0.00 0.00 175.10 174.53 1b4r n GLU 86 N 3.22 3.11 0.00 2.72 -0.58 -0.29 -0.07 120.64 128.75 1b4r n GLU 86 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1b4r n GLU 86 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 1b4r n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65