#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o9y h ALA 11 N 0.00 0.77 0.00 3.55 0.00 -2.07 -2.74 119.26 118.77 1o9y h ALA 11 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1o9y h ALA 11 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1o9y h ALA 11 CO 0.00 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1o9y n LEU 12 N -4.11 0.25 0.12 0.00 4.32 -1.26 -2.11 117.00 114.20 1o9y n LEU 12 Ca 0.00 0.58 0.02 0.00 -0.02 0.00 0.00 56.01 56.59 1o9y n LEU 12 Cb 0.44 -0.56 0.39 0.00 -1.62 0.00 0.00 43.42 42.07 1o9y n LEU 12 CO 0.46 -0.47 0.89 0.44 -1.22 0.00 0.00 177.39 177.49 1o9y h ASP 13 N 0.00 0.22 0.41 -1.43 3.32 -2.00 -2.68 116.42 114.25 1o9y h ASP 13 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1o9y h ASP 13 Cb 0.20 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1o9y h ASP 13 CO 0.00 0.38 0.00 -1.20 -1.72 0.00 0.00 179.24 176.70 1o9y n SER 14 N -4.28 0.00 -4.59 6.45 7.64 -0.90 -4.86 113.62 113.09 1o9y n SER 14 Ca -0.01 -0.33 -0.48 0.00 1.01 0.00 0.00 58.87 59.07 1o9y n SER 14 Cb 0.27 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 1o9y n SER 14 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1o9y n LEU 15 N -1.21 3.00 -4.64 -3.43 7.94 -1.01 -4.94 117.00 112.70 1o9y n LEU 15 Ca 0.16 0.61 -0.43 0.00 -1.11 0.00 0.00 56.01 55.24 1o9y n LEU 15 Cb 0.20 -1.38 -0.02 0.00 0.53 0.00 0.00 43.42 42.74 1o9y n LEU 15 CO 0.21 -0.41 1.00 0.00 -1.11 0.00 0.00 177.39 177.08 1o9y s ALA 16 N 6.12 3.51 -0.14 1.96 0.00 -1.26 -5.03 121.76 126.92 1o9y s ALA 16 Ca 1.00 0.06 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1o9y s ALA 16 Cb -0.66 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 18.75 1o9y s ALA 16 CO 0.47 -1.45 0.05 -0.51 0.00 0.00 0.00 175.76 174.31 1o9y s LEU 17 N 3.72 3.77 -0.56 0.00 1.43 -1.26 -5.06 118.68 120.72 1o9y s LEU 17 Ca 0.48 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.50 1o9y s LEU 17 Cb -0.14 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1o9y s LEU 17 CO 0.16 0.26 0.78 -1.81 0.23 0.00 0.00 176.35 175.97 1o9y s ASP 18 N -0.16 6.24 0.11 2.29 1.01 -1.26 -5.04 116.67 119.86 1o9y s ASP 18 Ca 0.07 -0.86 0.03 0.00 0.71 0.00 0.00 52.55 52.49 1o9y s ASP 18 Cb -0.12 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1o9y s ASP 18 CO 0.01 -1.11 0.18 -0.76 0.21 0.00 0.00 175.17 173.70 1o9y s LEU 19 N 3.23 4.08 -0.02 1.23 1.43 -1.26 -4.62 118.68 122.76 1o9y s LEU 19 Ca 0.20 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 1o9y s LEU 19 Cb -0.18 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 1o9y s LEU 19 CO 0.13 0.12 -0.26 -0.89 0.23 0.00 0.00 176.35 175.67 1o9y s THR 20 N -1.60 2.03 -0.09 5.49 2.01 0.13 -4.92 115.64 118.69 1o9y s THR 20 Ca 0.32 -1.10 -0.27 0.00 0.31 0.00 0.00 61.69 60.96 1o9y s THR 20 Cb -0.12 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1o9y s THR 20 CO 0.26 0.57 0.89 -0.76 -0.69 0.00 0.00 174.62 174.89 1o9y s LEU 21 N -0.59 4.27 -0.18 4.42 1.02 -1.26 -0.27 118.68 126.08 1o9y s LEU 21 Ca 0.09 1.39 -0.01 0.00 0.02 0.00 0.00 54.13 55.63 1o9y s LEU 21 Cb -0.10 -3.38 -0.00 0.00 0.02 0.00 0.00 46.19 42.73 1o9y s LEU 21 CO -0.01 -0.33 -0.12 -0.60 0.02 0.00 0.00 176.35 175.31 1o9y s ARG 22 N 1.61 3.24 -0.31 1.70 3.52 0.34 -4.96 118.95 124.08 1o9y s ARG 22 Ca 0.44 -0.72 0.09 0.00 -0.13 0.00 0.00 55.73 55.41 1o9y s ARG 22 Cb -0.18 -2.75 0.55 0.00 -1.56 0.00 0.00 34.95 31.01 1o9y s ARG 22 CO 0.19 -0.09 1.56 0.00 -0.81 0.00 0.00 175.30 176.15 1o9y n GLY 24 N -1.00 -0.34 3.38 0.00 0.00 -1.26 -4.79 105.19 101.18 1o9y n GLY 24 Ca 0.37 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 1o9y n GLY 24 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o9y s GLU 25 N -0.24 1.18 0.13 1.61 -1.05 -0.19 -4.96 118.70 115.18 1o9y s GLU 25 Ca 0.00 -1.01 -0.24 0.00 -0.15 0.00 0.00 54.97 53.57 1o9y s GLU 25 Cb 0.00 0.43 0.07 0.00 -0.44 0.00 0.00 34.13 34.19 1o9y s GLU 25 CO 0.00 -0.46 0.63 -0.48 0.95 0.00 0.00 175.26 175.91 1o9y s LEU 26 N -2.91 -0.56 -0.15 1.83 0.05 -1.26 -0.38 118.68 115.30 1o9y s LEU 26 Ca 0.12 0.06 0.01 0.00 0.05 0.00 0.00 54.13 54.37 1o9y s LEU 26 Cb 0.02 2.54 0.00 0.00 -2.05 0.00 0.00 46.19 46.70 1o9y s LEU 26 CO -0.03 -0.90 -0.18 -0.60 -0.55 0.00 0.00 176.35 174.09 1o9y s ARG 27 N -3.46 3.13 -0.00 1.48 3.52 -1.26 -5.09 118.95 117.27 1o9y s ARG 27 Ca 0.00 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.86 1o9y s ARG 27 Cb -0.01 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.80 1o9y s ARG 27 CO -0.11 -0.02 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.71 1o9y s LEU 28 N 0.87 2.05 0.79 -0.88 1.43 -1.26 -5.12 118.68 116.55 1o9y s LEU 28 Ca -0.05 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1o9y s LEU 28 Cb -0.15 -0.76 0.06 0.00 0.03 0.00 0.00 46.19 45.37 1o9y s LEU 28 CO -0.02 0.17 1.09 0.42 0.23 0.00 0.00 176.35 178.24 1o9y s THR 29 N -0.41 3.25 0.33 5.49 -4.23 -1.26 -4.85 115.64 113.96 1o9y s THR 29 Ca 0.05 0.41 0.04 0.00 -1.18 0.00 0.00 61.69 61.01 1o9y s THR 29 Cb -0.06 -2.89 0.29 0.00 1.34 0.00 0.00 72.50 71.18 1o9y s THR 29 CO -0.00 -0.53 1.93 -0.07 -0.54 0.00 0.00 174.62 175.40 1o9y h LEU 30 N -1.18 0.78 -0.40 4.79 -0.00 -2.01 -1.20 115.31 116.10 1o9y h LEU 30 Ca -0.44 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.41 1o9y h LEU 30 Cb 1.24 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.72 1o9y h LEU 30 CO 0.52 0.49 0.11 0.00 -0.00 0.00 0.00 178.44 179.56 1o9y h ALA 31 N 1.56 0.52 -0.12 1.53 0.00 -1.99 -1.16 119.26 119.60 1o9y h ALA 31 Ca 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1o9y h ALA 31 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1o9y h ALA 31 CO -0.13 0.19 0.05 0.93 0.00 0.00 0.00 179.25 180.28 1o9y h GLU 32 N 0.50 0.18 -0.04 0.00 5.08 -1.80 -1.49 114.58 117.00 1o9y h GLU 32 Ca 0.13 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1o9y h GLU 32 Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1o9y h GLU 32 CO -0.00 0.28 -0.09 1.25 -1.00 0.00 0.00 179.01 179.46 1o9y h LEU 33 N 0.04 0.06 -0.44 1.33 5.85 -1.18 -0.78 115.31 120.18 1o9y h LEU 33 Ca 0.04 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1o9y h LEU 33 Cb 0.17 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1o9y h LEU 33 CO -0.00 0.15 -0.03 0.03 -0.34 0.00 0.00 178.44 178.25 1o9y h ARG 34 N 0.06 0.80 0.00 1.25 3.08 -0.93 -3.20 114.38 115.45 1o9y h ARG 34 Ca 0.01 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1o9y h ARG 34 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1o9y h ARG 34 CO 0.01 0.88 -0.40 0.00 -1.07 0.00 0.00 179.97 179.40 1o9y h ARG 35 N 0.64 0.00 -6.19 0.04 3.08 -0.18 -3.46 114.38 108.32 1o9y h ARG 35 Ca 0.12 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.58 1o9y h ARG 35 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.60 1o9y h ARG 35 CO 0.03 0.40 1.29 -0.11 -1.07 0.00 0.00 179.97 180.51 1o9y n LEU 36 N -3.44 3.48 -4.71 3.04 7.94 -0.41 -4.99 117.00 117.91 1o9y n LEU 36 Ca 0.00 0.67 -0.23 0.00 -1.11 0.00 0.00 56.01 55.34 1o9y n LEU 36 Cb 0.56 -1.46 -0.07 0.00 0.53 0.00 0.00 43.42 42.98 1o9y n LEU 36 CO 0.37 -0.23 -0.23 1.51 -1.11 0.00 0.00 177.39 177.71 1o9y s ASP 37 N 5.77 4.61 0.36 1.96 1.47 -1.26 -5.04 116.67 124.53 1o9y s ASP 37 Ca 0.96 -0.78 -0.26 0.00 1.18 0.00 0.00 52.55 53.65 1o9y s ASP 37 Cb -0.53 -0.73 -0.12 0.00 -0.34 0.00 0.00 42.92 41.20 1o9y s ASP 37 CO 0.44 -0.24 1.04 0.00 0.68 0.00 0.00 175.17 177.08 1o9y n ALA 38 N -1.09 0.16 0.00 2.11 0.00 -1.26 -2.78 120.51 117.65 1o9y n ALA 38 Ca -0.04 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1o9y n ALA 38 Cb 0.61 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1o9y n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o9y n GLY 39 N 1.15 3.19 3.74 0.00 0.00 -1.26 -5.04 105.19 106.97 1o9y n GLY 39 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1o9y n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o9y s THR 40 N -2.58 2.35 -0.28 2.61 2.01 -1.12 -5.00 115.64 113.63 1o9y s THR 40 Ca 0.00 0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.19 1o9y s THR 40 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1o9y s THR 40 CO 0.00 0.04 0.13 -0.63 -0.69 0.00 0.00 174.62 173.48 1o9y s ILE 41 N 0.21 4.68 -0.17 1.82 1.01 -1.26 -5.04 121.20 122.45 1o9y s ILE 41 Ca 0.63 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 61.00 1o9y s ILE 41 Cb -0.45 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 1o9y s ILE 41 CO 0.43 0.20 0.13 -0.76 0.00 0.00 0.00 174.94 174.93 1o9y s LEU 42 N 1.65 4.22 0.26 2.97 1.43 -1.26 -5.08 118.68 122.87 1o9y s LEU 42 Ca 0.06 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 1o9y s LEU 42 Cb -0.16 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 1o9y s LEU 42 CO 0.06 0.26 1.43 -0.70 0.23 0.00 0.00 176.35 177.63 1o9y s GLU 43 N -0.10 4.27 -0.09 1.70 2.12 -1.26 -5.03 118.70 120.31 1o9y s GLU 43 Ca 0.10 2.30 -0.01 0.00 0.36 0.00 0.00 54.97 57.72 1o9y s GLU 43 Cb -0.11 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.14 1o9y s GLU 43 CO 0.00 -0.41 -0.04 0.08 -0.54 0.00 0.00 175.26 174.35 1o9y s VAL 44 N -0.09 3.90 0.24 3.70 1.01 -1.26 -4.79 120.40 123.10 1o9y s VAL 44 Ca 0.59 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1o9y s VAL 44 Cb -0.42 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1o9y s VAL 44 CO 0.44 0.58 0.11 -0.89 0.00 0.00 0.00 175.10 175.34 1o9y s THR 45 N -0.59 4.08 0.00 3.92 2.01 0.49 -4.76 115.64 120.78 1o9y s THR 45 Ca 0.09 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1o9y s THR 45 Cb -0.12 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1o9y s THR 45 CO 0.02 -0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 1o9y n GLY 46 N -0.88 3.07 3.14 4.40 0.00 -1.26 -1.02 105.19 112.63 1o9y n GLY 46 Ca -0.08 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1o9y n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1o9y s ILE 47 N -1.23 0.77 0.40 -0.61 -5.25 -1.26 -4.98 121.20 109.05 1o9y s ILE 47 Ca 0.00 -1.55 -0.02 0.00 -0.99 0.00 0.00 60.65 58.09 1o9y s ILE 47 Cb 0.00 -1.23 -0.03 0.00 2.95 0.00 0.00 42.46 44.15 1o9y s ILE 47 CO 0.00 -0.58 0.64 -0.94 -1.79 0.00 0.00 174.94 172.27 1o9y s SER 48 N -2.34 6.24 0.48 4.36 1.04 -1.26 -4.98 113.70 117.24 1o9y s SER 48 Ca 0.03 0.61 -0.23 0.00 0.48 0.00 0.00 55.95 56.84 1o9y s SER 48 Cb -0.03 -2.07 -0.09 0.00 0.10 0.00 0.00 66.02 63.94 1o9y s SER 48 CO -0.01 -0.43 1.05 -2.65 0.98 0.00 0.00 173.24 172.18 1o9y n PRO 49 N -1.98 1.34 -0.35 4.02 -0.02 -1.26 -2.57 135.00 134.18 1o9y n PRO 49 Ca -0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1o9y n PRO 49 Cb 0.56 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1o9y n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o9y n GLY 50 N 1.14 1.27 3.62 -1.23 0.00 -1.26 -5.04 105.19 103.68 1o9y n GLY 50 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1o9y n GLY 50 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1o9y s HIS 51 N -2.97 2.65 0.03 1.61 3.76 -1.06 -0.11 115.29 119.20 1o9y s HIS 51 Ca 0.00 -0.23 -0.22 0.00 -0.15 0.00 0.00 55.06 54.46 1o9y s HIS 51 Cb 0.00 -1.19 0.05 0.00 1.11 0.00 0.00 32.58 32.55 1o9y s HIS 51 CO 0.00 0.62 0.50 0.00 -0.85 0.00 0.00 174.74 175.00 1o9y s ALA 52 N -2.25 -1.26 0.01 -1.40 0.00 -0.82 -4.71 121.76 111.33 1o9y s ALA 52 Ca 0.30 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 1o9y s ALA 52 Cb -0.07 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1o9y s ALA 52 CO 0.19 -0.46 0.12 0.95 0.00 0.00 0.00 175.76 176.55 1o9y s THR 53 N -2.25 4.96 -0.16 0.00 -4.23 -0.29 -1.19 115.64 112.48 1o9y s THR 53 Ca -0.06 -0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.89 1o9y s THR 53 Cb -0.01 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1o9y s THR 53 CO -0.00 0.30 0.53 -0.22 -0.54 0.00 0.00 174.62 174.69 1o9y s LEU 54 N -1.92 4.20 -0.02 4.79 2.96 0.12 -0.51 118.68 128.30 1o9y s LEU 54 Ca 0.26 0.77 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 1o9y s LEU 54 Cb -0.12 -2.74 -0.00 0.00 0.50 0.00 0.00 46.19 43.82 1o9y s LEU 54 CO 0.17 -0.12 -0.11 0.00 -1.32 0.00 0.00 176.35 174.97 1o9y s HIS 56 N 0.04 3.34 0.00 0.00 2.46 0.33 0.20 115.29 121.66 1o9y s HIS 56 Ca -0.01 -1.83 0.00 0.00 0.47 0.00 0.00 55.06 53.69 1o9y s HIS 56 Cb -0.08 -2.47 0.00 0.00 -0.13 0.00 0.00 32.58 29.90 1o9y s HIS 56 CO 0.00 -0.82 0.00 0.41 -2.47 0.00 0.00 174.74 171.86 1o9y n GLY 57 N 4.70 3.44 1.18 1.59 0.00 -1.26 -1.11 105.19 113.72 1o9y n GLY 57 Ca -0.10 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1o9y n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o9y n GLU 58 N 13.40 2.98 -3.36 1.61 4.71 -1.26 -4.94 120.64 133.79 1o9y n GLU 58 Ca 0.00 -2.55 -0.39 0.00 -0.01 0.00 0.00 57.16 54.21 1o9y n GLU 58 Cb 0.00 -1.56 -0.08 0.00 -1.01 0.00 0.00 31.44 28.79 1o9y n GLU 58 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1o9y s GLN 59 N -1.24 4.09 -0.04 3.49 -0.21 -0.27 -5.05 119.66 120.42 1o9y s GLN 59 Ca 0.42 0.16 -0.30 0.00 0.02 0.00 0.00 55.36 55.66 1o9y s GLN 59 Cb 0.24 -3.61 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 1o9y s GLN 59 CO 0.26 -0.20 1.22 0.08 -2.12 0.00 0.00 175.29 174.52 1o9y s VAL 60 N 1.83 4.20 -0.21 1.09 1.01 -1.26 -0.51 120.40 126.54 1o9y s VAL 60 Ca 0.18 1.53 0.06 0.00 0.00 0.00 0.00 61.98 63.76 1o9y s VAL 60 Cb -0.15 -3.98 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 1o9y s VAL 60 CO 0.09 0.01 0.23 1.33 0.00 0.00 0.00 175.10 176.76 1o9y n VAL 61 N 4.58 0.00 -3.46 2.92 0.24 0.30 -4.82 118.33 118.08 1o9y n VAL 61 Ca 0.11 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 1o9y n VAL 61 Cb 0.46 0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 33.59 1o9y n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1o9y s ALA 62 N -1.88 -1.69 0.15 2.33 0.00 -1.12 -1.03 121.76 118.53 1o9y s ALA 62 Ca 0.01 0.83 0.10 0.00 0.00 0.00 0.00 51.96 52.90 1o9y s ALA 62 Cb 0.05 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1o9y s ALA 62 CO 0.27 -0.63 -0.23 -1.21 0.00 0.00 0.00 175.76 173.95 1o9y s GLU 63 N -2.87 1.36 0.15 0.00 2.02 -0.36 0.10 118.70 119.10 1o9y s GLU 63 Ca -0.02 -1.38 -0.12 0.00 0.02 0.00 0.00 54.97 53.47 1o9y s GLU 63 Cb -0.01 -1.68 0.04 0.00 0.10 0.00 0.00 34.13 32.59 1o9y s GLU 63 CO -0.06 0.38 0.60 0.41 0.02 0.00 0.00 175.26 176.61 1o9y n GLY 64 N 0.64 0.99 3.35 -1.39 0.00 -0.33 -1.01 105.19 107.45 1o9y n GLY 64 Ca -0.16 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1o9y n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o9y s GLU 65 N -2.04 2.70 -0.08 1.61 2.02 0.71 -1.94 118.70 121.68 1o9y s GLU 65 Ca 0.13 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1o9y s GLU 65 Cb -0.02 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 1o9y s GLU 65 CO 0.04 0.42 1.21 -0.51 0.02 0.00 0.00 175.26 176.45 1o9y s LEU 66 N -0.24 4.26 0.24 1.80 1.43 0.84 -0.53 118.68 126.48 1o9y s LEU 66 Ca -0.00 1.79 0.08 0.00 -1.03 0.00 0.00 54.13 54.96 1o9y s LEU 66 Cb -0.13 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1o9y s LEU 66 CO 0.03 -0.62 -0.12 0.68 0.23 0.00 0.00 176.35 176.55 1o9y s VAL 67 N 2.48 1.80 -0.24 -1.59 -7.23 -0.35 -4.93 120.40 110.33 1o9y s VAL 67 Ca 0.55 -2.21 -0.09 0.00 -1.81 0.00 0.00 61.98 58.43 1o9y s VAL 67 Cb -0.24 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 1o9y s VAL 67 CO 0.20 -0.48 0.12 -0.62 -0.31 0.00 0.00 175.10 174.02 1o9y s ASP 68 N -3.38 5.66 -0.59 4.85 -1.08 -1.26 0.02 116.67 120.89 1o9y s ASP 68 Ca 0.26 -0.04 -0.03 0.00 -0.52 0.00 0.00 52.55 52.22 1o9y s ASP 68 Cb 0.00 -2.02 0.15 0.00 -1.46 0.00 0.00 42.92 39.59 1o9y s ASP 68 CO 0.09 0.02 0.40 -0.69 0.52 0.00 0.00 175.17 175.52 1o9y s VAL 69 N 1.31 3.64 -1.34 1.11 1.01 0.21 -4.74 120.40 121.59 1o9y s VAL 69 Ca 0.06 -2.82 -0.09 0.00 0.00 0.00 0.00 61.98 59.13 1o9y s VAL 69 Cb -0.15 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 32.91 1o9y s VAL 69 CO 0.05 -0.85 0.54 -0.62 0.00 0.00 0.00 175.10 174.22 1o9y n GLU 70 N 3.66 -3.71 0.00 2.72 1.02 -1.26 -0.67 120.64 122.40 1o9y n GLU 70 Ca 0.06 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1o9y n GLU 70 Cb 0.38 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.52 1o9y n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o9y n GLY 71 N -1.25 1.12 3.93 0.62 0.00 -1.26 -5.07 105.19 103.27 1o9y n GLY 71 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1o9y n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1o9y s ARG 72 N -0.97 3.54 0.07 1.61 0.52 0.15 -5.08 118.95 118.79 1o9y s ARG 72 Ca 0.00 -0.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 1o9y s ARG 72 Cb 0.00 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 1o9y s ARG 72 CO 0.00 0.28 0.92 -1.17 0.02 0.00 0.00 175.30 175.35 1o9y s LEU 73 N -3.66 4.45 0.17 2.53 2.96 -1.26 0.65 118.68 124.53 1o9y s LEU 73 Ca 0.40 1.67 0.11 0.00 -0.22 0.00 0.00 54.13 56.10 1o9y s LEU 73 Cb -0.10 -3.50 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1o9y s LEU 73 CO 0.31 -0.10 -0.24 -0.83 -1.32 0.00 0.00 176.35 174.18 1o9y s GLY 74 N 0.25 1.67 -0.28 7.98 0.00 0.10 -4.80 107.32 112.24 1o9y s GLY 74 Ca 0.46 -1.57 -0.02 0.00 0.00 0.00 0.00 44.72 43.59 1o9y s GLY 74 CO 0.28 -1.58 -0.02 -2.27 0.00 0.00 0.00 173.10 169.51 1o9y s LEU 75 N -2.47 3.61 -0.46 0.66 2.96 -1.26 -1.21 118.68 120.50 1o9y s LEU 75 Ca 0.19 -1.06 -0.25 0.00 -0.22 0.00 0.00 54.13 52.78 1o9y s LEU 75 Cb -0.09 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.92 1o9y s LEU 75 CO 0.09 -0.20 0.93 -1.58 -1.32 0.00 0.00 176.35 174.26 1o9y s GLN 76 N 1.30 3.53 0.11 1.98 0.74 0.31 -4.88 119.66 122.77 1o9y s GLN 76 Ca -0.02 0.16 -0.31 0.00 0.05 0.00 0.00 55.36 55.24 1o9y s GLN 76 Cb -0.18 -3.93 -0.10 0.00 1.10 0.00 0.00 33.01 29.91 1o9y s GLN 76 CO -0.02 -1.22 1.71 0.42 -0.55 0.00 0.00 175.29 175.63 1o9y s ILE 77 N 3.76 2.71 -0.12 -2.34 -1.09 -1.26 -0.21 121.20 122.64 1o9y s ILE 77 Ca 0.37 0.28 0.17 0.00 -2.23 0.00 0.00 60.65 59.25 1o9y s ILE 77 Cb -0.10 -3.18 -0.25 0.00 -1.58 0.00 0.00 42.46 37.35 1o9y s ILE 77 CO 0.26 0.00 0.19 0.35 -1.23 0.00 0.00 174.94 174.52 1o9y n THR 78 N 4.56 0.79 -3.66 2.92 -2.24 -0.18 -4.91 114.28 111.57 1o9y n THR 78 Ca 0.16 -0.65 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 1o9y n THR 78 Cb 0.39 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.22 1o9y n THR 78 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1o9y s ARG 79 N -2.76 0.74 -0.12 -0.78 3.52 -1.11 -5.01 118.95 113.43 1o9y s ARG 79 Ca -0.08 0.71 -0.13 0.00 -0.13 0.00 0.00 55.73 56.10 1o9y s ARG 79 Cb 0.08 0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 33.78 1o9y s ARG 79 CO 0.76 -0.12 0.29 -0.51 -0.81 0.00 0.00 175.30 174.91 1o9y s LEU 80 N 0.06 4.31 0.00 -0.88 2.01 -1.26 -1.22 118.68 121.70 1o9y s LEU 80 Ca -0.02 0.59 0.25 0.00 0.01 0.00 0.00 54.13 54.96 1o9y s LEU 80 Cb -0.04 -2.37 0.33 0.00 0.01 0.00 0.00 46.19 44.12 1o9y s LEU 80 CO 0.02 0.20 1.34 0.52 1.01 0.00 0.00 176.35 179.43