#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7y n SER 2 N 0.00 0.38 -3.94 6.12 2.88 -1.23 -4.27 113.62 113.56 1l7y n SER 2 Ca 0.00 0.16 -0.43 0.00 -1.33 0.00 0.00 58.87 57.27 1l7y n SER 2 Cb 0.00 -0.04 0.01 0.00 -0.75 0.00 0.00 64.21 63.43 1l7y n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1l7y n GLY 3 N 2.66 5.17 0.23 0.46 0.00 -1.26 -3.79 105.19 108.65 1l7y n GLY 3 Ca 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 46.02 43.48 1l7y n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l7y n GLY 4 N 1.50 -2.21 0.34 -0.02 0.00 -1.26 -3.59 105.19 99.95 1l7y n GLY 4 Ca 0.31 0.70 -0.04 0.00 0.00 0.00 0.00 46.02 46.99 1l7y n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l7y n THR 5 N -1.06 0.83 -2.94 2.61 -1.04 -1.26 -4.84 114.28 106.57 1l7y n THR 5 Ca 0.00 0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.86 1l7y n THR 5 Cb 0.00 -1.81 -0.05 0.00 -1.82 0.00 0.00 70.33 66.65 1l7y n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1l7y s ALA 6 N -2.67 3.32 -0.08 2.41 0.00 -1.26 -4.92 121.76 118.55 1l7y s ALA 6 Ca -0.12 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 1l7y s ALA 6 Cb 0.02 -3.47 -0.29 0.00 0.00 0.00 0.00 23.12 19.38 1l7y s ALA 6 CO 0.18 -1.83 0.80 0.00 0.00 0.00 0.00 175.76 174.91 1l7y h ALA 7 N 8.87 -0.03 -1.27 0.00 0.00 -1.83 -3.27 119.26 121.73 1l7y h ALA 7 Ca -0.25 -0.71 -0.57 0.00 0.00 0.00 0.00 54.91 53.38 1l7y h ALA 7 Cb 1.09 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1l7y h ALA 7 CO 0.96 0.34 1.24 0.95 0.00 0.00 0.00 179.25 182.74 1l7y s THR 8 N -2.38 3.86 -0.15 0.00 -4.23 -1.26 -4.90 115.64 106.58 1l7y s THR 8 Ca -0.16 -0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.05 1l7y s THR 8 Cb 0.00 -4.97 0.05 0.00 1.34 0.00 0.00 72.50 68.92 1l7y s THR 8 CO 0.78 -1.87 0.37 0.42 -0.54 0.00 0.00 174.62 173.77 1l7y s THR 9 N 5.25 -0.03 -0.46 3.99 -4.23 -1.26 -5.11 115.64 113.80 1l7y s THR 9 Ca 0.40 0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.78 1l7y s THR 9 Cb -0.04 -0.55 0.03 0.00 1.34 0.00 0.00 72.50 73.27 1l7y s THR 9 CO 0.03 0.04 0.73 0.00 -0.54 0.00 0.00 174.62 174.87 1l7y s ALA 10 N 1.24 3.31 -0.17 3.99 0.00 -1.26 -4.39 121.76 124.48 1l7y s ALA 10 Ca -0.08 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.71 1l7y s ALA 10 Cb -0.08 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1l7y s ALA 10 CO -0.10 -1.91 0.17 0.41 0.00 0.00 0.00 175.76 174.33 1l7y n GLY 11 N 5.03 -0.57 2.96 0.00 0.00 -1.26 -5.09 105.19 106.26 1l7y n GLY 11 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1l7y n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l7y s SER 12 N -2.14 0.49 0.43 1.61 0.01 -1.26 -4.94 113.70 107.89 1l7y s SER 12 Ca 0.01 -0.20 0.06 0.00 1.31 0.00 0.00 55.95 57.13 1l7y s SER 12 Cb -0.00 -0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.15 1l7y s SER 12 CO 0.19 -0.04 0.03 -0.54 0.41 0.00 0.00 173.24 173.29 1l7y s LYS 13 N -0.51 2.03 -0.17 12.44 3.01 -1.26 -4.41 119.74 130.87 1l7y s LYS 13 Ca -0.02 -2.13 -0.07 0.00 -1.01 0.00 0.00 55.97 52.73 1l7y s LYS 13 Cb -0.04 -1.66 -0.04 0.00 -1.01 0.00 0.00 37.83 35.08 1l7y s LYS 13 CO -0.00 -0.11 0.06 0.14 0.51 0.00 0.00 175.35 175.95 1l7y s VAL 14 N -2.73 4.79 0.06 3.17 -7.23 -0.21 -2.38 120.40 115.87 1l7y s VAL 14 Ca 0.31 -0.04 -0.03 0.00 -1.81 0.00 0.00 61.98 60.41 1l7y s VAL 14 Cb 0.08 -3.15 -0.05 0.00 0.56 0.00 0.00 36.38 33.82 1l7y s VAL 14 CO 0.16 0.48 0.26 0.42 -0.31 0.00 0.00 175.10 176.11 1l7y s THR 15 N 0.24 5.32 -0.01 5.32 -4.23 -1.26 -2.46 115.64 118.55 1l7y s THR 15 Ca 0.04 -0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1l7y s THR 15 Cb -0.12 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 1l7y s THR 15 CO 0.00 0.19 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.80 1l7y s PHE 16 N -1.47 1.06 -0.37 3.99 0.08 -0.32 -4.51 117.98 116.43 1l7y s PHE 16 Ca 0.34 -0.21 -0.03 0.00 0.12 0.00 0.00 56.93 57.15 1l7y s PHE 16 Cb -0.13 -0.69 0.08 0.00 -0.57 0.00 0.00 43.02 41.72 1l7y s PHE 16 CO 0.23 -0.02 0.13 0.21 -0.10 0.00 0.00 175.22 175.67 1l7y s LYS 17 N -0.25 2.24 -0.17 0.44 2.20 0.11 -0.34 119.74 123.99 1l7y s LYS 17 Ca 0.04 -1.55 -0.03 0.00 -0.36 0.00 0.00 55.97 54.07 1l7y s LYS 17 Cb -0.05 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1l7y s LYS 17 CO -0.00 -0.88 -0.05 0.42 -0.36 0.00 0.00 175.35 174.48 1l7y s ILE 18 N 1.22 3.65 -0.07 5.43 1.09 -0.63 -1.03 121.20 130.86 1l7y s ILE 18 Ca 0.03 -0.43 0.05 0.00 -1.10 0.00 0.00 60.65 59.19 1l7y s ILE 18 Cb -0.21 -2.60 -0.01 0.00 -1.06 0.00 0.00 42.46 38.57 1l7y s ILE 18 CO -0.02 0.48 -0.23 -0.89 -0.10 0.00 0.00 174.94 174.18 1l7y s THR 19 N 0.63 2.26 -0.27 2.92 2.01 -1.11 -1.06 115.64 121.02 1l7y s THR 19 Ca -0.03 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.70 1l7y s THR 19 Cb -0.15 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1l7y s THR 19 CO 0.02 0.57 1.42 -0.22 -0.69 0.00 0.00 174.62 175.72 1l7y s LEU 20 N -0.07 3.88 0.26 4.42 2.96 -1.26 -1.26 118.68 127.61 1l7y s LEU 20 Ca -0.06 1.35 0.17 0.00 -0.22 0.00 0.00 54.13 55.37 1l7y s LEU 20 Cb -0.14 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.07 1l7y s LEU 20 CO 0.05 -1.15 1.35 0.00 -1.32 0.00 0.00 176.35 175.27 1l7y h THR 21 N 6.04 0.66 -0.03 3.68 1.03 -1.91 -3.33 112.91 119.04 1l7y h THR 21 Ca -0.29 -1.98 -0.02 0.00 -0.01 0.00 0.00 66.41 64.12 1l7y h THR 21 Cb 1.12 2.27 -0.00 0.00 -1.07 0.00 0.00 68.15 70.46 1l7y h THR 21 CO 1.02 0.38 -0.04 -1.28 -0.01 0.00 0.00 175.52 175.59 1l7y h SER 22 N 0.00 0.09 -3.74 0.00 0.87 -1.90 -3.42 113.55 105.46 1l7y h SER 22 Ca -0.03 -0.51 -0.65 0.00 -1.23 0.00 0.00 61.79 59.37 1l7y h SER 22 Cb 1.35 -0.03 -0.21 0.00 -0.44 0.00 0.00 62.40 63.08 1l7y h SER 22 CO 0.05 0.59 -0.59 -0.62 -0.53 0.00 0.00 176.83 175.73 1l7y s ASP 23 N -5.83 5.46 0.18 6.23 2.15 -1.25 -4.97 116.67 118.64 1l7y s ASP 23 Ca -0.16 -0.13 0.07 0.00 0.43 0.00 0.00 52.55 52.76 1l7y s ASP 23 Cb 0.02 -2.00 0.01 0.00 -0.30 0.00 0.00 42.92 40.66 1l7y s ASP 23 CO 0.69 -0.04 1.40 1.55 -0.17 0.00 0.00 175.17 178.61 1l7y h PRO 24 N 8.28 0.04 -0.45 4.34 0.13 -1.81 -3.28 132.00 139.25 1l7y h PRO 24 Ca -0.37 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1l7y h PRO 24 Cb 1.18 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1l7y h PRO 24 CO 0.57 0.87 0.20 0.87 -0.23 0.00 0.00 178.00 180.28 1l7y h LYS 25 N 0.02 0.67 -6.30 0.86 1.57 -1.93 -3.41 116.57 108.05 1l7y h LYS 25 Ca -0.02 -0.11 -0.55 0.00 -1.87 0.00 0.00 60.65 58.11 1l7y h LYS 25 Cb 1.50 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 1l7y h LYS 25 CO 0.12 0.59 1.00 -0.51 -0.57 0.00 0.00 179.45 180.08 1l7y s LEU 26 N -9.83 4.31 0.92 2.94 1.43 -1.24 -5.00 118.68 112.22 1l7y s LEU 26 Ca -0.13 2.20 -0.15 0.00 -1.03 0.00 0.00 54.13 55.02 1l7y s LEU 26 Cb 0.11 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 42.95 1l7y s LEU 26 CO 0.76 -0.86 1.25 -2.16 0.23 0.00 0.00 176.35 175.57 1l7y s PRO 27 N 3.41 1.01 0.78 1.29 0.04 -1.26 -4.49 135.00 135.77 1l7y s PRO 27 Ca 0.70 -0.18 -0.11 0.00 0.04 0.00 0.00 61.00 61.45 1l7y s PRO 27 Cb -0.33 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.40 1l7y s PRO 27 CO 0.28 -2.20 1.08 -0.59 0.04 0.00 0.00 177.00 175.61 1l7y s PHE 28 N -3.70 2.71 0.01 0.56 -0.12 -1.26 -4.48 117.98 111.69 1l7y s PHE 28 Ca 0.69 1.41 0.01 0.00 -0.05 0.00 0.00 56.93 58.99 1l7y s PHE 28 Cb -0.07 -3.03 -0.01 0.00 -0.63 0.00 0.00 43.02 39.28 1l7y s PHE 28 CO 0.52 -1.75 -0.04 0.15 -0.05 0.00 0.00 175.22 174.05 1l7y s LYS 29 N -4.98 0.30 -0.21 1.99 1.02 -0.22 -4.97 119.74 112.67 1l7y s LYS 29 Ca 0.61 -0.31 -0.09 0.00 0.02 0.00 0.00 55.97 56.19 1l7y s LYS 29 Cb -0.16 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.92 1l7y s LYS 29 CO 0.56 0.04 0.12 0.08 -0.92 0.00 0.00 175.35 175.23 1l7y s VAL 30 N -0.54 5.23 -0.29 3.17 1.01 -1.26 -1.61 120.40 126.12 1l7y s VAL 30 Ca -0.04 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1l7y s VAL 30 Cb -0.04 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1l7y s VAL 30 CO -0.00 0.42 0.02 -0.22 0.00 0.00 0.00 175.10 175.32 1l7y s LEU 31 N 0.55 3.71 -0.41 3.92 2.96 0.54 -4.92 118.68 125.03 1l7y s LEU 31 Ca 0.07 -0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 52.88 1l7y s LEU 31 Cb -0.12 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1l7y s LEU 31 CO 0.00 -0.20 0.33 -0.44 -1.32 0.00 0.00 176.35 174.72 1l7y s SER 32 N 1.38 6.13 0.04 3.68 0.01 -1.26 -1.18 113.70 122.50 1l7y s SER 32 Ca -0.00 -0.79 -0.01 0.00 1.31 0.00 0.00 55.95 56.45 1l7y s SER 32 Cb -0.18 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 1l7y s SER 32 CO -0.00 -0.46 -0.01 0.68 0.41 0.00 0.00 173.24 173.85 1l7y s VAL 33 N 1.80 0.18 0.73 3.43 -7.23 -1.03 -5.00 120.40 113.28 1l7y s VAL 33 Ca 0.07 -1.45 -0.11 0.00 -1.81 0.00 0.00 61.98 58.68 1l7y s VAL 33 Cb -0.18 -1.06 0.03 0.00 0.56 0.00 0.00 36.38 35.73 1l7y s VAL 33 CO 0.11 -0.80 1.08 -2.16 -0.31 0.00 0.00 175.10 173.02 1l7y s PRO 34 N -3.02 2.61 0.47 4.82 0.04 -1.26 -1.04 135.00 137.62 1l7y s PRO 34 Ca -0.01 0.80 0.12 0.00 0.04 0.00 0.00 61.00 61.95 1l7y s PRO 34 Cb 0.01 -1.97 1.10 0.00 0.04 0.00 0.00 34.50 33.69 1l7y s PRO 34 CO -0.07 -1.29 2.11 0.93 0.04 0.00 0.00 177.00 178.72 1l7y h GLU 35 N -0.85 0.21 -0.89 4.56 3.07 -1.91 -1.82 114.58 116.94 1l7y h GLU 35 Ca -0.45 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.42 1l7y h GLU 35 Cb 1.23 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 29.05 1l7y h GLU 35 CO 0.58 0.15 0.59 0.77 -1.40 0.00 0.00 179.01 179.70 1l7y h SER 36 N 0.22 0.99 -2.66 1.42 0.02 -1.98 -3.19 113.55 108.38 1l7y h SER 36 Ca 0.06 -0.02 -0.53 0.00 -0.84 0.00 0.00 61.79 60.45 1l7y h SER 36 Cb -0.01 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.31 1l7y h SER 36 CO -0.01 0.70 1.02 -0.89 -1.14 0.00 0.00 176.83 176.52 1l7y s THR 37 N -5.97 3.11 0.74 -2.27 2.01 -0.69 -4.78 115.64 107.78 1l7y s THR 37 Ca -0.12 0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 1l7y s THR 37 Cb 0.18 -3.31 0.04 0.00 0.01 0.00 0.00 72.50 69.42 1l7y s THR 37 CO 0.80 -0.01 1.10 -2.16 -0.69 0.00 0.00 174.62 173.66 1l7y s PRO 38 N 2.93 2.56 0.55 4.92 0.04 -1.26 -1.03 135.00 143.71 1l7y s PRO 38 Ca 0.75 0.54 0.36 0.00 0.04 0.00 0.00 61.00 62.69 1l7y s PRO 38 Cb -0.39 -1.98 1.76 0.00 0.04 0.00 0.00 34.50 33.93 1l7y s PRO 38 CO 0.32 -1.26 2.09 0.35 0.04 0.00 0.00 177.00 178.54 1l7y h PHE 39 N -0.82 0.00 -0.27 0.56 3.57 -0.82 -2.60 116.94 116.56 1l7y h PHE 39 Ca -0.46 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.06 1l7y h PHE 39 Cb 1.26 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1l7y h PHE 39 CO 0.49 0.00 0.14 1.79 -2.23 0.00 0.00 178.31 178.50 1l7y h THR 40 N 0.00 1.00 -0.12 4.41 1.35 -1.81 0.20 112.91 117.94 1l7y h THR 40 Ca 0.00 -0.10 -0.21 0.00 -0.55 0.00 0.00 66.41 65.55 1l7y h THR 40 Cb 0.24 0.68 0.01 0.00 -1.73 0.00 0.00 68.15 67.35 1l7y h THR 40 CO 0.00 0.05 -0.78 0.00 -0.25 0.00 0.00 175.52 174.55 1l7y h ALA 41 N 1.13 0.39 0.23 6.62 0.00 -1.84 -1.59 119.26 124.20 1l7y h ALA 41 Ca 0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1l7y h ALA 41 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1l7y h ALA 41 CO -0.07 0.71 -0.11 0.28 0.00 0.00 0.00 179.25 180.06 1l7y h VAL 42 N 0.45 0.78 -0.35 0.00 2.07 -1.22 0.52 116.25 118.50 1l7y h VAL 42 Ca -0.05 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1l7y h VAL 42 Cb 1.39 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1l7y h VAL 42 CO 0.15 0.01 -0.03 0.25 0.02 0.00 0.00 177.57 177.97 1l7y h LEU 43 N -0.33 0.53 -0.24 2.57 6.46 -0.67 -0.99 115.31 122.64 1l7y h LEU 43 Ca -0.03 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1l7y h LEU 43 Cb 0.25 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1l7y h LEU 43 CO 0.05 0.62 0.05 0.50 -0.62 0.00 0.00 178.44 179.05 1l7y h LYS 44 N 0.53 0.38 -0.39 1.25 3.64 -0.87 -0.97 116.57 120.14 1l7y h LYS 44 Ca 0.11 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1l7y h LYS 44 Cb 0.39 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1l7y h LYS 44 CO 0.02 0.50 -0.12 0.35 -2.27 0.00 0.00 179.45 177.93 1l7y h PHE 45 N 0.20 0.87 -0.27 1.91 3.57 -0.69 -0.73 116.94 121.80 1l7y h PHE 45 Ca 0.07 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1l7y h PHE 45 Cb 0.29 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1l7y h PHE 45 CO 0.01 0.91 0.14 0.00 -2.23 0.00 0.00 178.31 177.15 1l7y h ALA 46 N 0.83 0.35 -0.33 2.41 0.00 -1.11 -2.30 119.26 119.10 1l7y h ALA 46 Ca 0.10 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1l7y h ALA 46 Cb 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1l7y h ALA 46 CO 0.04 -0.11 -0.17 0.00 0.00 0.00 0.00 179.25 179.02 1l7y h ALA 47 N 1.01 1.10 -0.33 0.00 0.00 -1.14 -1.17 119.26 118.73 1l7y h ALA 47 Ca 0.09 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1l7y h ALA 47 Cb 0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1l7y h ALA 47 CO -0.01 0.56 0.19 1.49 0.00 0.00 0.00 179.25 181.47 1l7y h GLU 48 N 0.54 0.37 0.00 0.00 4.81 -0.77 -0.80 114.58 118.73 1l7y h GLU 48 Ca 0.09 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1l7y h GLU 48 Cb 0.59 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1l7y h GLU 48 CO 0.04 0.25 -0.58 0.93 -0.73 0.00 0.00 179.01 178.92 1l7y h GLU 49 N 0.39 0.00 0.00 1.92 3.07 -1.29 -2.92 114.58 115.75 1l7y h GLU 49 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1l7y h GLU 49 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1l7y h GLU 49 CO -0.06 0.58 0.00 1.19 -1.40 0.00 0.00 179.01 179.31 1l7y n PHE 50 N -3.52 0.00 -3.19 4.33 3.72 -0.46 -4.89 117.46 113.46 1l7y n PHE 50 Ca -0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1l7y n PHE 50 Cb 0.66 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 39.23 1l7y n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1l7y n LYS 51 N -1.02 -5.55 -4.16 -1.08 5.02 -0.65 -5.01 118.16 105.71 1l7y n LYS 51 Ca 0.22 0.71 -0.14 0.00 -2.02 0.00 0.00 58.31 57.08 1l7y n LYS 51 Cb 0.11 -5.29 -0.11 0.00 -0.02 0.00 0.00 35.03 29.73 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1l7y s VAL 52 N -3.18 0.87 -0.14 -0.18 -7.23 -0.40 -5.05 120.40 105.09 1l7y s VAL 52 Ca 0.39 -1.58 -0.29 0.00 -1.81 0.00 0.00 61.98 58.69 1l7y s VAL 52 Cb -0.17 -1.28 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 1l7y s VAL 52 CO 0.48 -0.55 1.25 -2.16 -0.31 0.00 0.00 175.10 173.81 1l7y s PRO 53 N -2.67 4.26 0.21 4.82 0.04 -1.26 -4.04 135.00 136.34 1l7y s PRO 53 Ca 0.04 1.66 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1l7y s PRO 53 Cb -0.03 -3.72 0.16 0.00 0.04 0.00 0.00 34.50 30.95 1l7y s PRO 53 CO -0.00 -0.66 1.51 0.00 0.04 0.00 0.00 177.00 177.89 1l7y h ALA 54 N 8.05 0.74 -0.54 8.56 0.00 -1.88 -3.01 119.26 131.18 1l7y h ALA 54 Ca -0.28 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.08 1l7y h ALA 54 Cb 1.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1l7y h ALA 54 CO 0.95 0.74 0.36 0.00 0.00 0.00 0.00 179.25 181.30 1l7y h ALA 55 N 1.08 1.65 -1.12 0.00 0.00 -1.95 -2.57 119.26 116.34 1l7y h ALA 55 Ca -0.01 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.24 1l7y h ALA 55 Cb 1.18 -0.20 -0.38 0.00 0.00 0.00 0.00 17.79 18.39 1l7y h ALA 55 CO 0.11 0.32 -0.19 0.25 0.00 0.00 0.00 179.25 179.73 1l7y n THR 56 N -4.46 2.83 -3.80 0.00 -2.24 -1.17 -4.84 114.28 100.59 1l7y n THR 56 Ca 0.05 -4.32 -0.11 0.00 -2.27 0.00 0.00 64.05 57.40 1l7y n THR 56 Cb 0.07 -1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 67.01 1l7y n THR 56 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1l7y s SER 57 N -2.86 -0.06 0.23 3.42 0.01 -0.97 -3.34 113.70 110.14 1l7y s SER 57 Ca 0.52 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.56 1l7y s SER 57 Cb 0.43 0.31 -0.05 0.00 0.21 0.00 0.00 66.02 66.92 1l7y s SER 57 CO -0.14 -0.54 0.10 0.00 0.41 0.00 0.00 173.24 173.06 1l7y s ALA 58 N -2.27 1.53 -0.11 1.44 0.00 -0.52 -4.76 121.76 117.07 1l7y s ALA 58 Ca -0.07 -1.80 0.01 0.00 0.00 0.00 0.00 51.96 50.10 1l7y s ALA 58 Cb -0.02 1.10 0.02 0.00 0.00 0.00 0.00 23.12 24.22 1l7y s ALA 58 CO -0.02 -0.49 -0.12 0.42 0.00 0.00 0.00 175.76 175.56 1l7y s ILE 59 N -3.86 1.30 0.52 0.00 1.01 -1.06 -0.84 121.20 118.27 1l7y s ILE 59 Ca 0.37 -0.49 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1l7y s ILE 59 Cb 0.07 -1.23 0.05 0.00 0.01 0.00 0.00 42.46 41.37 1l7y s ILE 59 CO 0.12 0.41 0.72 0.27 0.00 0.00 0.00 174.94 176.46 1l7y s ILE 60 N 1.30 2.55 0.22 2.92 -4.36 0.69 0.60 121.20 125.11 1l7y s ILE 60 Ca -0.01 -0.92 0.07 0.00 -0.26 0.00 0.00 60.65 59.52 1l7y s ILE 60 Cb -0.14 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.91 1l7y s ILE 60 CO -0.05 0.00 0.12 -0.89 0.24 0.00 0.00 174.94 174.36 1l7y s THR 61 N -2.59 4.18 0.58 8.37 2.01 0.13 0.24 115.64 128.57 1l7y s THR 61 Ca 0.59 -1.40 0.28 0.00 0.31 0.00 0.00 61.69 61.47 1l7y s THR 61 Cb -0.08 -3.20 0.36 0.00 0.01 0.00 0.00 72.50 69.59 1l7y s THR 61 CO 0.37 -0.25 2.08 0.78 -0.69 0.00 0.00 174.62 176.91 1l7y h ASN 62 N 2.00 0.00 0.10 3.53 2.35 -1.86 -2.14 115.58 119.56 1l7y h ASN 62 Ca -0.47 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.12 1l7y h ASN 62 Cb 1.22 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.61 1l7y h ASN 62 CO 0.61 0.00 -0.68 0.44 -1.65 0.00 0.00 177.43 176.15 1l7y h ASP 63 N 0.00 0.42 0.00 5.81 3.32 -1.94 -3.48 116.42 120.55 1l7y h ASP 63 Ca 0.10 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1l7y h ASP 63 Cb 0.54 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1l7y h ASP 63 CO -0.00 1.31 0.00 0.61 -1.72 0.00 0.00 179.24 179.44 1l7y n GLY 64 N 1.55 -0.10 2.85 2.75 0.00 -0.80 -5.15 105.19 106.28 1l7y n GLY 64 Ca -0.13 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1l7y n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l7y s VAL 65 N 0.00 0.82 -1.01 1.61 1.01 -1.25 -4.89 120.40 116.68 1l7y s VAL 65 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.48 1l7y s VAL 65 Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1l7y s VAL 65 CO 0.00 0.24 1.81 -0.83 0.00 0.00 0.00 175.10 176.32 1l7y s GLY 66 N 1.78 0.55 0.11 4.51 0.00 -1.26 -0.69 107.32 112.32 1l7y s GLY 66 Ca 0.04 -1.92 -0.31 0.00 0.00 0.00 0.00 44.72 42.53 1l7y s GLY 66 CO -0.07 3.25 1.42 0.14 0.00 0.00 0.00 173.10 177.83 1l7y s VAL 67 N 8.57 3.23 0.25 1.40 1.01 0.20 -4.91 120.40 130.15 1l7y s VAL 67 Ca 0.63 0.87 0.06 0.00 0.00 0.00 0.00 61.98 63.55 1l7y s VAL 67 Cb -0.03 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1l7y s VAL 67 CO 0.00 0.06 0.25 0.20 0.00 0.00 0.00 175.10 175.61 1l7y s ASN 68 N 1.17 5.76 -1.39 3.32 -0.87 -1.26 -2.55 114.94 119.12 1l7y s ASN 68 Ca 0.65 -0.16 -0.13 0.00 -1.57 0.00 0.00 52.86 51.66 1l7y s ASN 68 Cb -0.37 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.25 39.28 1l7y s ASN 68 CO 0.30 -0.05 2.43 -0.81 -2.57 0.00 0.00 177.10 176.40 1l7y n PRO 69 N -1.25 2.92 0.00 -0.60 -0.04 -1.26 -3.97 135.00 130.79 1l7y n PRO 69 Ca -0.08 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1l7y n PRO 69 Cb 0.58 -3.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1l7y n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l7y n ALA 70 N 5.25 2.86 -1.25 0.55 0.00 -1.26 -3.95 120.51 122.71 1l7y n ALA 70 Ca 0.60 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.71 1l7y n ALA 70 Cb 0.32 0.01 0.09 0.00 0.00 0.00 0.00 19.45 19.86 1l7y n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1l7y s GLN 71 N -1.87 2.13 0.55 0.00 -0.21 -1.25 -4.54 119.66 114.47 1l7y s GLN 71 Ca 0.00 1.51 -0.16 0.00 0.02 0.00 0.00 55.36 56.72 1l7y s GLN 71 Cb 0.00 -1.86 -0.06 0.00 1.00 0.00 0.00 33.01 32.09 1l7y s GLN 71 CO 0.00 -1.79 1.02 -1.25 -2.12 0.00 0.00 175.29 171.15 1l7y s PRO 72 N -4.29 3.66 0.28 2.91 0.04 -1.26 -0.20 135.00 136.14 1l7y s PRO 72 Ca 0.68 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.81 1l7y s PRO 72 Cb -0.23 -2.09 0.57 0.00 0.04 0.00 0.00 34.50 32.79 1l7y s PRO 72 CO 0.49 -0.52 1.81 0.00 0.04 0.00 0.00 177.00 178.82 1l7y h ALA 73 N 0.72 1.47 -0.21 8.56 0.00 -1.07 0.62 119.26 129.36 1l7y h ALA 73 Ca -0.47 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1l7y h ALA 73 Cb 1.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1l7y h ALA 73 CO 0.60 0.10 0.05 0.78 0.00 0.00 0.00 179.25 180.78 1l7y h GLY 74 N 0.86 0.24 1.60 0.00 0.00 -1.82 -1.73 103.07 102.23 1l7y h GLY 74 Ca 0.50 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.67 1l7y h GLY 74 CO -0.31 0.01 -0.44 -0.57 0.00 0.00 0.00 176.54 175.24 1l7y h ASN 75 N 0.14 0.47 -0.74 0.19 -1.24 -1.61 -1.70 115.58 111.09 1l7y h ASN 75 Ca 0.09 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 56.90 1l7y h ASN 75 Cb 0.08 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 1l7y h ASN 75 CO -0.11 0.85 0.48 0.40 -1.29 0.00 0.00 177.43 177.76 1l7y h ILE 76 N 0.36 1.19 0.02 2.57 1.08 -0.41 0.12 117.51 122.44 1l7y h ILE 76 Ca 0.03 -0.37 -0.23 0.00 -0.39 0.00 0.00 64.86 63.90 1l7y h ILE 76 Cb 0.91 0.11 0.02 0.00 -3.07 0.00 0.00 36.82 34.80 1l7y h ILE 76 CO 0.08 0.19 -0.92 0.15 -0.69 0.00 0.00 178.15 176.95 1l7y h PHE 77 N 1.01 0.89 -0.56 1.37 3.04 -1.25 0.15 116.94 121.60 1l7y h PHE 77 Ca 0.27 -0.50 -0.03 0.00 3.98 0.00 0.00 57.97 61.69 1l7y h PHE 77 Cb -0.10 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.29 1l7y h PHE 77 CO -0.02 1.33 0.22 -0.07 -2.02 0.00 0.00 178.31 177.75 1l7y h LEU 78 N 0.20 0.74 0.00 0.59 3.38 -1.09 -1.45 115.31 117.67 1l7y h LEU 78 Ca -0.12 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1l7y h LEU 78 Cb 1.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1l7y h LEU 78 CO 0.18 0.67 -0.75 0.50 0.09 0.00 0.00 178.44 179.13 1l7y h LYS 79 N 0.80 0.00 0.00 1.13 3.64 -0.80 -3.44 116.57 117.90 1l7y h LYS 79 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1l7y h LYS 79 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1l7y h LYS 79 CO -0.02 0.57 -0.55 0.72 -2.27 0.00 0.00 179.45 177.91 1l7y n HIS 80 N -4.55 0.43 0.00 1.91 8.25 0.45 -5.08 115.22 116.63 1l7y n HIS 80 Ca -0.18 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1l7y n HIS 80 Cb 0.46 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1l7y n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1l7y n GLY 81 N 1.57 0.20 0.03 -1.41 0.00 -0.55 -4.79 105.19 100.24 1l7y n GLY 81 Ca -0.08 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 1l7y n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l7y n SER 82 N 0.00 3.73 -4.59 1.61 2.88 -1.26 -4.22 113.62 111.78 1l7y n SER 82 Ca 0.00 -0.01 -0.42 0.00 -1.33 0.00 0.00 58.87 57.11 1l7y n SER 82 Cb 0.00 0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 1l7y n SER 82 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1l7y s GLU 83 N -2.12 3.22 0.16 -1.46 0.41 -1.26 0.08 118.70 117.73 1l7y s GLU 83 Ca -0.04 1.05 -0.01 0.00 -0.41 0.00 0.00 54.97 55.56 1l7y s GLU 83 Cb 0.02 -4.20 -0.04 0.00 -1.78 0.00 0.00 34.13 28.13 1l7y s GLU 83 CO 0.17 -2.01 0.07 -0.51 -0.49 0.00 0.00 175.26 172.50 1l7y s LEU 84 N 7.02 1.66 0.07 1.80 1.43 -0.20 -2.97 118.68 127.49 1l7y s LEU 84 Ca 0.70 -1.25 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1l7y s LEU 84 Cb -0.17 0.27 -0.03 0.00 0.03 0.00 0.00 46.19 46.29 1l7y s LEU 84 CO 0.30 -0.74 -0.15 -0.60 0.23 0.00 0.00 176.35 175.38 1l7y s ARG 85 N -4.06 0.90 -0.25 1.70 6.06 0.14 -2.74 118.95 120.71 1l7y s ARG 85 Ca 0.28 -0.95 -0.08 0.00 -2.50 0.00 0.00 55.73 52.48 1l7y s ARG 85 Cb 0.07 -0.96 -0.03 0.00 0.06 0.00 0.00 34.95 34.09 1l7y s ARG 85 CO 0.05 0.22 0.08 -1.17 -2.50 0.00 0.00 175.30 171.98 1l7y s LEU 86 N -1.65 3.55 0.12 -0.88 0.20 -0.39 -0.23 118.68 119.41 1l7y s LEU 86 Ca 0.00 -0.15 0.11 0.00 0.69 0.00 0.00 54.13 54.78 1l7y s LEU 86 Cb -0.10 -1.95 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 1l7y s LEU 86 CO 0.02 -0.01 -0.27 0.27 -0.29 0.00 0.00 176.35 176.07 1l7y s ILE 87 N 1.49 2.25 -1.19 6.68 -4.36 -0.02 -2.98 121.20 123.08 1l7y s ILE 87 Ca 0.06 -1.70 -0.20 0.00 -0.26 0.00 0.00 60.65 58.55 1l7y s ILE 87 Cb -0.15 -1.98 0.05 0.00 1.25 0.00 0.00 42.46 41.63 1l7y s ILE 87 CO 0.04 0.13 1.67 -2.16 0.24 0.00 0.00 174.94 174.86 1l7y s PRO 88 N -1.94 3.71 -0.54 0.37 0.04 -1.26 -1.44 135.00 133.94 1l7y s PRO 88 Ca 0.14 -1.59 -0.20 0.00 0.04 0.00 0.00 61.00 59.38 1l7y s PRO 88 Cb -0.10 -5.44 0.06 0.00 0.04 0.00 0.00 34.50 29.06 1l7y s PRO 88 CO 0.05 -2.40 0.72 0.50 0.04 0.00 0.00 177.00 175.91 1l7y s ARG 89 N 4.73 3.15 -0.40 4.56 3.52 -1.21 -4.93 118.95 128.36 1l7y s ARG 89 Ca 0.53 -0.84 -0.22 0.00 -0.13 0.00 0.00 55.73 55.07 1l7y s ARG 89 Cb 0.02 -4.12 0.02 0.00 -1.56 0.00 0.00 34.95 29.30 1l7y s ARG 89 CO 0.02 -1.36 0.74 -0.51 -0.81 0.00 0.00 175.30 173.39 1l7y s ASP 90 N 2.92 6.45 0.09 -2.12 1.11 -1.26 -3.03 116.67 120.83 1l7y s ASP 90 Ca 0.18 0.06 0.06 0.00 0.18 0.00 0.00 52.55 53.03 1l7y s ASP 90 Cb -0.19 -2.37 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1l7y s ASP 90 CO 0.12 -0.78 -0.17 0.00 1.18 0.00 0.00 175.17 175.52 1l7y s ARG 91 N 3.07 0.94 -0.28 8.23 1.70 -1.26 -4.95 118.95 126.40 1l7y s ARG 91 Ca 0.29 -1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 54.49 1l7y s ARG 91 Cb -0.13 -1.03 0.00 0.00 -0.57 0.00 0.00 34.95 33.22 1l7y s ARG 91 CO 0.19 0.23 0.03 0.28 -1.08 0.00 0.00 175.30 174.95 1l7y n VAL 92 N 1.16-10.79 -1.54 4.99 0.31 -1.26 -4.68 118.33 106.52 1l7y n VAL 92 Ca -0.20 1.65 -0.37 0.00 -0.01 0.00 0.00 64.34 65.41 1l7y n VAL 92 Cb 0.54 -6.47 -0.05 0.00 -0.91 0.00 0.00 33.84 26.95 1l7y n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1l7y n GLY 93 N 0.73 0.06 3.21 2.92 0.00 -1.26 -5.12 105.19 105.73 1l7y n GLY 93 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89