#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 1.99 -4.16 6.12 2.88 -1.26 -4.68 113.62 114.51 1l7y n SER 2 Ca 0.00 0.17 -0.38 0.00 -1.33 0.00 0.00 58.87 57.33 1l7y n SER 2 Cb 0.00 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 62.68 1l7y n SER 2 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1l7y s GLY 3 N -5.73 3.11 0.14 0.46 0.00 -1.26 -2.99 107.32 101.04 1l7y s GLY 3 Ca -0.32 -3.84 0.00 0.00 0.00 0.00 0.00 44.72 40.57 1l7y s GLY 3 CO 0.61 1.23 0.00 0.61 0.00 0.00 0.00 173.10 175.55 1l7y n GLY 4 N 2.43 -0.64 0.01 0.20 0.00 -1.26 -4.84 105.19 101.08 1l7y n GLY 4 Ca 0.22 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.44 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 -2.89 0.00 -2.88 2.61 -1.04 -1.26 -4.79 114.28 104.02 1l7y n THR 5 Ca 0.00 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.05 61.31 1l7y n THR 5 Cb 0.00 0.46 -0.04 0.00 -1.82 0.00 0.00 70.33 68.93 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 -3.27 3.17 0.16 2.41 0.00 -1.26 -4.76 121.76 118.22 1l7y s ALA 6 Ca -0.01 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 49.90 1l7y s ALA 6 Cb 0.15 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1l7y s ALA 6 CO 0.89 -2.80 0.00 0.00 0.00 0.00 0.00 175.76 173.85 1l7y n ALA 7 N 7.42 -2.44 -0.06 0.00 0.00 -1.26 -2.75 120.51 121.42 1l7y n ALA 7 Ca 0.02 0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 1l7y n ALA 7 Cb 0.46 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.90 1l7y n ALA 7 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1l7y h THR 8 N 2.23 1.29 0.00 0.00 1.35 -1.86 -3.08 112.91 112.83 1l7y h THR 8 Ca 0.00 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 1l7y h THR 8 Cb 0.00 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1l7y h THR 8 CO 0.00 0.50 -1.60 0.35 -0.25 0.00 0.00 175.52 174.52 1l7y n THR 9 N -4.05 0.00 -0.02 6.82 -2.24 -1.26 -4.66 114.28 108.87 1l7y n THR 9 Ca -0.02 -0.33 -0.03 0.00 -2.27 0.00 0.00 64.05 61.40 1l7y n THR 9 Cb 0.52 0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 1l7y n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l7y h ALA 10 N 1.54 -0.07 0.00 6.98 0.00 -1.83 -3.50 119.26 122.39 1l7y h ALA 10 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1l7y h ALA 10 Cb 0.68 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1l7y h ALA 10 CO 0.00 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1l7y n GLY 11 N 1.56 0.96 0.11 0.00 0.00 -1.11 -4.49 105.19 102.23 1l7y n GLY 11 Ca -0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 1l7y n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1l7y h SER 12 N 0.00 -0.15 -3.56 1.61 4.64 -1.76 -3.38 113.55 110.94 1l7y h SER 12 Ca 0.00 -0.07 -0.41 0.00 -0.47 0.00 0.00 61.79 60.84 1l7y h SER 12 Cb 0.00 0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 61.99 1l7y h SER 12 CO 0.00 0.36 -0.67 -0.54 -0.87 0.00 0.00 176.83 175.11 1l7y s LYS 13 N -2.22 1.39 -0.22 4.77 1.02 -1.26 -4.24 119.74 118.97 1l7y s LYS 13 Ca -0.04 -1.70 -0.05 0.00 0.02 0.00 0.00 55.97 54.20 1l7y s LYS 13 Cb 0.00 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.50 1l7y s LYS 13 CO 0.13 -0.04 -0.01 0.14 -0.92 0.00 0.00 175.35 174.66 1l7y s VAL 14 N -3.28 3.68 -0.15 3.17 -7.23 0.98 -4.86 120.40 112.71 1l7y s VAL 14 Ca 0.28 -0.39 -0.10 0.00 -1.81 0.00 0.00 61.98 59.96 1l7y s VAL 14 Cb 0.05 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1l7y s VAL 14 CO 0.09 0.40 0.19 -0.89 -0.31 0.00 0.00 175.10 174.59 1l7y s THR 15 N 1.45 5.39 -0.06 5.32 2.01 -1.26 -2.55 115.64 125.94 1l7y s THR 15 Ca 0.05 0.33 0.05 0.00 0.31 0.00 0.00 61.69 62.43 1l7y s THR 15 Cb -0.14 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1l7y s THR 15 CO -0.01 0.50 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.83 1l7y s PHE 16 N -0.19 2.50 -0.40 4.92 0.08 -0.14 -4.10 117.98 120.64 1l7y s PHE 16 Ca 0.13 -0.68 -0.08 0.00 0.12 0.00 0.00 56.93 56.43 1l7y s PHE 16 Cb -0.12 -1.63 0.07 0.00 -0.57 0.00 0.00 43.02 40.78 1l7y s PHE 16 CO 0.03 -0.19 0.22 0.21 -0.10 0.00 0.00 175.22 175.39 1l7y s LYS 17 N -0.16 2.54 -0.18 0.44 2.20 0.33 -1.06 119.74 123.86 1l7y s LYS 17 Ca -0.03 -1.44 -0.05 0.00 -0.36 0.00 0.00 55.97 54.08 1l7y s LYS 17 Cb -0.14 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1l7y s LYS 17 CO 0.04 -0.91 -0.00 0.42 -0.36 0.00 0.00 175.35 174.53 1l7y s ILE 18 N 1.39 4.11 -0.05 5.43 1.09 -0.34 -1.39 121.20 131.44 1l7y s ILE 18 Ca 0.03 -0.27 0.05 0.00 -1.10 0.00 0.00 60.65 59.35 1l7y s ILE 18 Cb -0.22 -2.83 -0.02 0.00 -1.06 0.00 0.00 42.46 38.32 1l7y s ILE 18 CO 0.01 0.46 -0.19 0.42 -0.10 0.00 0.00 174.94 175.55 1l7y s THR 19 N 0.58 2.67 0.04 2.92 -4.23 -1.09 -0.36 115.64 116.17 1l7y s THR 19 Ca -0.01 -0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 59.34 1l7y s THR 19 Cb -0.14 -2.02 -0.07 0.00 1.34 0.00 0.00 72.50 71.62 1l7y s THR 19 CO 0.02 0.58 1.49 -0.22 -0.54 0.00 0.00 174.62 175.96 1l7y s LEU 20 N -0.53 4.34 -0.10 4.79 1.98 -1.26 -0.95 118.68 126.95 1l7y s LEU 20 Ca 0.07 2.27 -0.17 0.00 -2.89 0.00 0.00 54.13 53.41 1l7y s LEU 20 Cb -0.11 -3.56 -0.27 0.00 0.66 0.00 0.00 46.19 42.90 1l7y s LEU 20 CO 0.01 -0.78 0.60 0.71 -1.89 0.00 0.00 176.35 175.00 1l7y h THR 21 N 4.81 1.12 -0.17 3.68 1.35 -1.82 -3.39 112.91 118.50 1l7y h THR 21 Ca -0.40 -2.41 -0.08 0.00 -0.55 0.00 0.00 66.41 62.97 1l7y h THR 21 Cb 1.19 2.79 -0.00 0.00 -1.73 0.00 0.00 68.15 70.40 1l7y h THR 21 CO 0.91 0.69 -0.19 0.28 -0.25 0.00 0.00 175.52 176.95 1l7y h SER 22 N -0.36 0.46 -3.60 5.36 0.02 -1.86 -3.41 113.55 110.15 1l7y h SER 22 Ca -0.27 -0.49 -0.70 0.00 -0.84 0.00 0.00 61.79 59.49 1l7y h SER 22 Cb 1.70 -0.13 -0.20 0.00 0.14 0.00 0.00 62.40 63.92 1l7y h SER 22 CO 0.06 0.86 -0.42 -0.62 -1.14 0.00 0.00 176.83 175.57 1l7y s ASP 23 N -6.24 6.10 0.16 3.07 -1.08 -1.26 -4.93 116.67 112.50 1l7y s ASP 23 Ca -0.14 -0.64 0.08 0.00 -0.52 0.00 0.00 52.55 51.33 1l7y s ASP 23 Cb 0.06 -2.16 -0.04 0.00 -1.46 0.00 0.00 42.92 39.32 1l7y s ASP 23 CO 0.77 -0.36 1.38 1.55 0.52 0.00 0.00 175.17 179.02 1l7y h PRO 24 N 8.57 0.01 -0.46 4.34 0.13 -1.80 -3.26 132.00 139.53 1l7y h PRO 24 Ca -0.29 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1l7y h PRO 24 Cb 1.14 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1l7y h PRO 24 CO 0.69 0.89 -0.06 -0.22 -0.23 0.00 0.00 178.00 179.08 1l7y h LYS 25 N 0.01 0.79 -6.70 0.86 3.64 -1.94 -3.43 116.57 109.80 1l7y h LYS 25 Ca -0.01 -0.24 -0.53 0.00 -1.27 0.00 0.00 60.65 58.61 1l7y h LYS 25 Cb 1.57 -0.08 0.06 0.00 -0.41 0.00 0.00 32.23 33.37 1l7y h LYS 25 CO 0.12 0.83 0.84 -0.51 -2.27 0.00 0.00 179.45 178.46 1l7y s LEU 26 N -9.10 4.37 0.67 5.20 1.43 -1.23 -4.99 118.68 115.03 1l7y s LEU 26 Ca -0.09 2.71 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 1l7y s LEU 26 Cb 0.14 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 1l7y s LEU 26 CO 0.82 -0.80 1.05 -2.16 0.23 0.00 0.00 176.35 175.48 1l7y s PRO 27 N 0.26 3.17 0.83 1.29 0.04 -1.26 -4.63 135.00 134.69 1l7y s PRO 27 Ca 0.65 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 1l7y s PRO 27 Cb -0.44 -2.03 0.09 0.00 0.04 0.00 0.00 34.50 32.16 1l7y s PRO 27 CO 0.39 -0.90 1.09 -0.59 0.04 0.00 0.00 177.00 177.03 1l7y s PHE 28 N -3.13 2.51 -0.07 0.56 -0.12 -1.26 -4.60 117.98 111.87 1l7y s PHE 28 Ca 0.57 1.37 0.02 0.00 -0.05 0.00 0.00 56.93 58.84 1l7y s PHE 28 Cb -0.13 -3.10 0.01 0.00 -0.63 0.00 0.00 43.02 39.18 1l7y s PHE 28 CO 0.54 -2.04 -0.13 0.15 -0.05 0.00 0.00 175.22 173.69 1l7y s LYS 29 N -4.95 1.81 -0.22 1.99 3.01 0.52 -4.99 119.74 116.91 1l7y s LYS 29 Ca 0.62 -0.45 -0.07 0.00 -1.01 0.00 0.00 55.97 55.06 1l7y s LYS 29 Cb -0.17 -1.48 -0.03 0.00 -1.01 0.00 0.00 37.83 35.13 1l7y s LYS 29 CO 0.56 0.04 0.07 0.08 0.51 0.00 0.00 175.35 176.61 1l7y s VAL 30 N 0.65 4.48 -0.25 3.17 1.01 -1.26 -1.20 120.40 127.00 1l7y s VAL 30 Ca -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1l7y s VAL 30 Cb -0.16 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1l7y s VAL 30 CO 0.04 0.38 -0.05 -0.76 0.00 0.00 0.00 175.10 174.71 1l7y s LEU 31 N 1.13 3.24 -0.41 3.92 1.43 -0.23 -4.95 118.68 122.82 1l7y s LEU 31 Ca 0.04 -0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 1l7y s LEU 31 Cb -0.14 -1.68 0.05 0.00 0.03 0.00 0.00 46.19 44.45 1l7y s LEU 31 CO 0.03 -0.13 0.26 -0.94 0.23 0.00 0.00 176.35 175.80 1l7y s SER 32 N 1.33 5.79 0.10 2.29 1.04 -1.26 -0.97 113.70 122.03 1l7y s SER 32 Ca 0.00 -1.23 0.02 0.00 0.48 0.00 0.00 55.95 55.23 1l7y s SER 32 Cb -0.17 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 63.87 1l7y s SER 32 CO -0.04 -0.49 -0.07 0.68 0.98 0.00 0.00 173.24 174.30 1l7y s VAL 33 N 1.53 0.77 0.78 5.02 -7.23 -1.06 -4.99 120.40 115.23 1l7y s VAL 33 Ca 0.03 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 1l7y s VAL 33 Cb -0.21 -1.62 0.06 0.00 0.56 0.00 0.00 36.38 35.17 1l7y s VAL 33 CO 0.05 -0.80 1.09 -2.16 -0.31 0.00 0.00 175.10 172.97 1l7y s PRO 34 N -3.61 2.22 0.50 4.82 0.04 -1.26 -0.01 135.00 137.70 1l7y s PRO 34 Ca 0.11 0.71 0.15 0.00 0.04 0.00 0.00 61.00 62.01 1l7y s PRO 34 Cb 0.03 -1.93 1.21 0.00 0.04 0.00 0.00 34.50 33.86 1l7y s PRO 34 CO -0.03 -1.54 2.13 0.93 0.04 0.00 0.00 177.00 178.52 1l7y h GLU 35 N -1.03 0.05 -0.86 4.56 3.07 -1.92 -1.86 114.58 116.59 1l7y h GLU 35 Ca -0.46 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.40 1l7y h GLU 35 Cb 1.26 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.11 1l7y h GLU 35 CO 0.59 0.05 0.57 0.77 -1.40 0.00 0.00 179.01 179.58 1l7y h SER 36 N 0.05 0.98 -2.68 1.42 0.02 -1.93 -3.32 113.55 108.10 1l7y h SER 36 Ca 0.01 -0.02 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 1l7y h SER 36 Cb 0.02 -0.24 0.02 0.00 0.14 0.00 0.00 62.40 62.34 1l7y h SER 36 CO -0.00 0.71 1.01 -0.89 -1.14 0.00 0.00 176.83 176.51 1l7y s THR 37 N -5.96 2.96 0.64 -2.27 2.01 -0.70 -4.82 115.64 107.50 1l7y s THR 37 Ca -0.12 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.21 1l7y s THR 37 Cb 0.18 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1l7y s THR 37 CO 0.80 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 173.61 1l7y s PRO 38 N 2.58 3.40 0.62 4.92 0.04 -1.26 -1.41 135.00 143.88 1l7y s PRO 38 Ca 0.74 0.78 0.40 0.00 0.04 0.00 0.00 61.00 62.96 1l7y s PRO 38 Cb -0.41 -2.06 1.96 0.00 0.04 0.00 0.00 34.50 34.04 1l7y s PRO 38 CO 0.33 -0.72 2.20 0.35 0.04 0.00 0.00 177.00 179.20 1l7y h PHE 39 N -0.43 0.00 -0.55 0.56 3.57 -0.62 -2.47 116.94 117.00 1l7y h PHE 39 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1l7y h PHE 39 Cb 1.20 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1l7y h PHE 39 CO 0.64 0.00 0.34 1.79 -2.23 0.00 0.00 178.31 178.86 1l7y h THR 40 N 0.00 1.15 -0.06 4.41 1.35 -1.79 0.19 112.91 118.18 1l7y h THR 40 Ca -0.00 -0.32 -0.23 0.00 -0.55 0.00 0.00 66.41 65.31 1l7y h THR 40 Cb 0.23 0.38 0.01 0.00 -1.73 0.00 0.00 68.15 67.04 1l7y h THR 40 CO 0.00 0.15 -0.89 0.00 -0.25 0.00 0.00 175.52 174.54 1l7y h ALA 41 N 1.18 0.33 -0.18 6.62 0.00 -1.84 -2.43 119.26 122.94 1l7y h ALA 41 Ca 0.20 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1l7y h ALA 41 Cb -0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1l7y h ALA 41 CO -0.04 0.73 0.10 0.28 0.00 0.00 0.00 179.25 180.33 1l7y h VAL 42 N 0.37 1.09 -0.40 0.00 2.07 -1.21 -0.89 116.25 117.29 1l7y h VAL 42 Ca -0.08 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1l7y h VAL 42 Cb 1.52 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1l7y h VAL 42 CO 0.17 0.09 0.04 0.25 0.02 0.00 0.00 177.57 178.13 1l7y h LEU 43 N 0.19 0.58 0.07 2.57 6.46 -0.67 -1.24 115.31 123.27 1l7y h LEU 43 Ca 0.06 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1l7y h LEU 43 Cb 0.05 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1l7y h LEU 43 CO -0.01 0.62 -0.03 0.11 -0.62 0.00 0.00 178.44 178.51 1l7y h LYS 44 N 0.59 -0.09 -0.56 1.25 1.57 -0.97 -0.56 116.57 117.81 1l7y h LYS 44 Ca 0.13 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1l7y h LYS 44 Cb 0.32 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1l7y h LYS 44 CO 0.01 0.19 0.31 0.74 -0.57 0.00 0.00 179.45 180.13 1l7y h PHE 45 N -0.36 0.76 -0.40 -1.35 0.04 -1.02 1.00 116.94 115.61 1l7y h PHE 45 Ca -0.01 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 1l7y h PHE 45 Cb 0.32 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 1l7y h PHE 45 CO 0.02 0.55 0.24 0.00 -0.60 0.00 0.00 178.31 178.52 1l7y h ALA 46 N 1.14 0.51 -0.41 2.45 0.00 -1.17 -0.19 119.26 121.59 1l7y h ALA 46 Ca 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1l7y h ALA 46 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1l7y h ALA 46 CO -0.03 -0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.24 1l7y h ALA 47 N 1.11 0.55 -0.49 0.00 0.00 -0.80 -0.02 119.26 119.61 1l7y h ALA 47 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1l7y h ALA 47 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1l7y h ALA 47 CO -0.03 0.30 0.31 0.93 0.00 0.00 0.00 179.25 180.76 1l7y h GLU 48 N 0.54 0.66 0.00 0.00 3.07 -0.54 -0.50 114.58 117.81 1l7y h GLU 48 Ca 0.12 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 1l7y h GLU 48 Cb 0.43 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1l7y h GLU 48 CO 0.02 0.46 -0.35 0.93 -1.40 0.00 0.00 179.01 178.66 1l7y h GLU 49 N 0.66 0.00 -0.08 2.33 3.07 -0.91 -2.55 114.58 117.10 1l7y h GLU 49 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1l7y h GLU 49 Cb -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1l7y h GLU 49 CO -0.04 0.35 0.00 1.19 -1.40 0.00 0.00 179.01 179.12 1l7y n PHE 50 N -3.68 0.10 -3.14 4.33 3.72 -0.03 -4.90 117.46 113.85 1l7y n PHE 50 Ca -0.01 -0.05 -0.19 0.00 -0.05 0.00 0.00 57.45 57.15 1l7y n PHE 50 Cb 0.46 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.04 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 -0.23 -5.32 -4.18 -1.08 5.02 -0.76 -5.01 118.16 106.59 1l7y n LYS 51 Ca 0.15 0.73 -0.14 0.00 -2.02 0.00 0.00 58.31 57.04 1l7y n LYS 51 Cb 0.20 -5.32 -0.11 0.00 -0.02 0.00 0.00 35.03 29.78 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 -3.17 0.93 -0.11 -0.18 -7.23 -0.28 -5.04 120.40 105.33 1l7y s VAL 52 Ca 0.37 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 1l7y s VAL 52 Cb -0.16 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1l7y s VAL 52 CO 0.45 -0.63 1.20 -2.16 -0.31 0.00 0.00 175.10 173.65 1l7y s PRO 53 N -3.05 4.31 0.32 4.82 0.04 -1.26 -3.88 135.00 136.30 1l7y s PRO 53 Ca 0.08 1.63 0.12 0.00 0.04 0.00 0.00 61.00 62.86 1l7y s PRO 53 Cb -0.01 -3.63 0.54 0.00 0.04 0.00 0.00 34.50 31.43 1l7y s PRO 53 CO -0.01 -0.54 1.71 0.00 0.04 0.00 0.00 177.00 178.21 1l7y h ALA 54 N 7.68 1.15 -0.94 8.56 0.00 -1.89 -2.73 119.26 131.09 1l7y h ALA 54 Ca -0.30 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1l7y h ALA 54 Cb 1.13 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1l7y h ALA 54 CO 0.92 0.62 0.61 0.00 0.00 0.00 0.00 179.25 181.40 1l7y h ALA 55 N 1.50 1.20 -0.89 0.00 0.00 -1.98 -2.81 119.26 116.28 1l7y h ALA 55 Ca -0.00 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 54.23 1l7y h ALA 55 Cb 0.90 -0.38 -0.38 0.00 0.00 0.00 0.00 17.79 17.93 1l7y h ALA 55 CO 0.06 0.61 -0.22 0.25 0.00 0.00 0.00 179.25 179.96 1l7y n THR 56 N -4.41 2.90 -4.29 0.00 -2.24 -1.16 -5.01 114.28 100.08 1l7y n THR 56 Ca 0.11 -3.88 -0.19 0.00 -2.27 0.00 0.00 64.05 57.81 1l7y n THR 56 Cb 0.03 -1.16 -0.11 0.00 -2.10 0.00 0.00 70.33 66.99 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 -2.96 2.31 0.09 3.42 0.01 -1.04 -1.42 113.70 114.11 1l7y s SER 57 Ca 0.55 -0.87 -0.02 0.00 1.31 0.00 0.00 55.95 56.92 1l7y s SER 57 Cb 0.44 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.53 1l7y s SER 57 CO -0.01 -0.12 0.04 0.00 0.41 0.00 0.00 173.24 173.56 1l7y s ALA 58 N -2.30 0.56 -0.22 1.44 0.00 0.04 -4.75 121.76 116.52 1l7y s ALA 58 Ca 0.14 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.86 1l7y s ALA 58 Cb -0.04 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.69 1l7y s ALA 58 CO 0.05 -0.44 -0.09 0.42 0.00 0.00 0.00 175.76 175.69 1l7y s ILE 59 N -3.97 1.72 0.61 0.00 1.01 -1.00 -0.77 121.20 118.81 1l7y s ILE 59 Ca 0.14 -1.22 0.07 0.00 0.00 0.00 0.00 60.65 59.65 1l7y s ILE 59 Cb 0.07 -1.87 0.10 0.00 0.01 0.00 0.00 42.46 40.77 1l7y s ILE 59 CO -0.05 0.04 0.84 0.27 0.00 0.00 0.00 174.94 176.04 1l7y s ILE 60 N 1.33 2.14 0.31 2.92 -4.36 0.58 0.02 121.20 124.15 1l7y s ILE 60 Ca -0.04 -0.90 0.10 0.00 -0.26 0.00 0.00 60.65 59.54 1l7y s ILE 60 Cb -0.18 -2.24 -0.05 0.00 1.25 0.00 0.00 42.46 41.24 1l7y s ILE 60 CO -0.07 0.00 -0.02 0.42 0.24 0.00 0.00 174.94 175.52 1l7y s THR 61 N -2.79 2.84 0.53 8.37 -4.23 -0.25 0.41 115.64 120.52 1l7y s THR 61 Ca 0.63 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.47 1l7y s THR 61 Cb -0.06 -2.75 0.36 0.00 1.34 0.00 0.00 72.50 71.40 1l7y s THR 61 CO 0.40 -0.27 2.21 -1.13 -0.54 0.00 0.00 174.62 175.29 1l7y h ASN 62 N 1.88 0.00 0.16 3.99 -0.73 -1.86 -2.43 115.58 116.60 1l7y h ASN 62 Ca -0.43 0.00 -0.26 0.00 1.87 0.00 0.00 56.30 57.48 1l7y h ASN 62 Cb 1.25 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.87 1l7y h ASN 62 CO 0.64 0.04 -1.12 0.44 -0.37 0.00 0.00 177.43 177.05 1l7y h ASP 63 N 0.00 0.70 0.00 1.15 3.32 -1.94 -3.48 116.42 116.17 1l7y h ASP 63 Ca -0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 1l7y h ASP 63 Cb 0.14 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1l7y h ASP 63 CO 0.00 1.54 0.00 0.61 -1.72 0.00 0.00 179.24 179.68 1l7y n GLY 64 N 1.57 0.34 2.92 2.75 0.00 -0.91 -5.15 105.19 106.70 1l7y n GLY 64 Ca -0.15 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 1.17 -1.13 1.61 1.01 -1.26 -4.90 120.40 116.90 1l7y s VAL 65 Ca 0.00 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 1l7y s VAL 65 Cb 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1l7y s VAL 65 CO 0.00 0.30 1.66 -0.83 0.00 0.00 0.00 175.10 176.23 1l7y s GLY 66 N 1.63 1.18 0.11 4.51 0.00 -1.26 -1.09 107.32 112.41 1l7y s GLY 66 Ca 0.03 -2.42 -0.30 0.00 0.00 0.00 0.00 44.72 42.03 1l7y s GLY 66 CO -0.08 2.88 1.23 0.14 0.00 0.00 0.00 173.10 177.26 1l7y s VAL 67 N 5.83 3.74 0.35 1.40 1.01 0.10 -4.91 120.40 127.93 1l7y s VAL 67 Ca 0.54 1.32 0.09 0.00 0.00 0.00 0.00 61.98 63.92 1l7y s VAL 67 Cb 0.01 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1l7y s VAL 67 CO 0.00 0.14 0.06 0.20 0.00 0.00 0.00 175.10 175.50 1l7y s ASN 68 N 0.74 4.29 -1.39 3.32 0.01 -1.26 -2.38 114.94 118.27 1l7y s ASN 68 Ca 0.58 -0.98 -0.12 0.00 -0.71 0.00 0.00 52.86 51.63 1l7y s ASN 68 Cb -0.32 -0.55 -0.05 0.00 0.41 0.00 0.00 41.25 40.74 1l7y s ASN 68 CO 0.32 -0.30 2.53 -0.81 -1.51 0.00 0.00 177.10 177.32 1l7y n PRO 69 N -1.03 3.01 -1.10 -0.60 -0.04 -1.26 -4.32 135.00 129.67 1l7y n PRO 69 Ca -0.04 -2.17 0.04 0.00 -0.04 0.00 0.00 63.50 61.30 1l7y n PRO 69 Cb 0.63 -2.90 0.08 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.75 2.70 -3.56 0.55 0.00 -1.26 -4.49 120.51 119.20 1l7y n ALA 70 Ca 0.63 -2.52 -0.09 0.00 0.00 0.00 0.00 53.44 51.45 1l7y n ALA 70 Cb 0.28 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 1l7y n ALA 70 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1l7y s GLN 71 N -1.06 1.51 0.59 0.00 0.00 -1.26 -5.06 119.66 114.38 1l7y s GLN 71 Ca 0.32 -0.78 -0.15 0.00 -0.00 0.00 0.00 55.36 54.76 1l7y s GLN 71 Cb 0.35 0.58 -0.04 0.00 0.00 0.00 0.00 33.01 33.90 1l7y s GLN 71 CO -0.12 -0.67 1.04 -1.25 0.00 0.00 0.00 175.29 174.29 1l7y s PRO 72 N -3.85 3.44 0.33 9.60 0.04 -1.26 0.02 135.00 143.32 1l7y s PRO 72 Ca 0.07 1.08 0.01 0.00 0.04 0.00 0.00 61.00 62.20 1l7y s PRO 72 Cb -0.03 -2.06 0.56 0.00 0.04 0.00 0.00 34.50 33.01 1l7y s PRO 72 CO -0.02 -0.70 1.97 0.00 0.04 0.00 0.00 177.00 178.28 1l7y h ALA 73 N 0.35 1.46 -0.82 8.56 0.00 -1.37 -2.00 119.26 125.44 1l7y h ALA 73 Ca -0.46 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1l7y h ALA 73 Cb 1.21 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1l7y h ALA 73 CO 0.59 0.47 0.50 0.78 0.00 0.00 0.00 179.25 181.59 1l7y h GLY 74 N 0.93 1.22 1.36 0.00 0.00 -1.79 -0.93 103.07 103.86 1l7y h GLY 74 Ca 0.23 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 1l7y h GLY 74 CO -0.04 0.26 -0.33 -0.57 0.00 0.00 0.00 176.54 175.86 1l7y h ASN 75 N 0.93 0.75 -0.40 0.19 -1.24 -1.73 -1.74 115.58 112.34 1l7y h ASN 75 Ca 0.35 -0.31 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1l7y h ASN 75 Cb 0.14 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1l7y h ASN 75 CO -0.16 1.02 0.21 0.40 -1.29 0.00 0.00 177.43 177.60 1l7y h ILE 76 N 0.61 1.16 -0.39 2.57 1.08 -0.71 0.54 117.51 122.38 1l7y h ILE 76 Ca 0.07 -0.45 -0.11 0.00 -0.39 0.00 0.00 64.86 63.98 1l7y h ILE 76 Cb 0.85 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 1l7y h ILE 76 CO 0.07 0.17 -0.19 0.15 -0.69 0.00 0.00 178.15 177.67 1l7y h PHE 77 N 0.52 0.83 -0.29 1.37 3.04 -1.13 -0.60 116.94 120.69 1l7y h PHE 77 Ca 0.14 -0.18 -0.11 0.00 3.98 0.00 0.00 57.97 61.81 1l7y h PHE 77 Cb 0.09 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1l7y h PHE 77 CO -0.02 0.87 -0.27 -0.07 -2.02 0.00 0.00 178.31 176.81 1l7y h LEU 78 N 0.66 0.58 0.15 0.59 -0.00 -0.93 -2.20 115.31 114.17 1l7y h LEU 78 Ca 0.10 -0.21 -0.01 0.00 -0.00 0.00 0.00 57.88 57.76 1l7y h LEU 78 Cb 0.68 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1l7y h LEU 78 CO 0.05 0.84 -0.07 0.50 -0.00 0.00 0.00 178.44 179.75 1l7y h LYS 79 N 0.50 -0.20 0.00 1.13 3.64 -0.66 -3.45 116.57 117.53 1l7y h LYS 79 Ca 0.07 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1l7y h LYS 79 Cb 0.73 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1l7y h LYS 79 CO 0.06 0.05 -0.40 0.72 -2.27 0.00 0.00 179.45 177.60 1l7y n HIS 80 N -4.90 0.00 0.00 1.91 8.25 -0.27 -5.10 115.22 115.11 1l7y n HIS 80 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1l7y n HIS 80 Cb 0.17 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 2.70 0.43 0.00 -1.41 0.00 -0.83 -4.62 105.19 101.46 1l7y n GLY 81 Ca -0.06 -1.18 0.10 0.00 0.00 0.00 0.00 46.02 44.88 1l7y n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1l7y n SER 82 N 0.00 0.71 -4.56 1.61 3.41 -1.26 -4.45 113.62 109.08 1l7y n SER 82 Ca 0.00 -0.68 -0.41 0.00 -0.26 0.00 0.00 58.87 57.52 1l7y n SER 82 Cb 0.00 1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 1l7y n SER 82 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1l7y s GLU 83 N -3.11 3.16 0.17 4.33 2.12 -1.26 -0.51 118.70 123.59 1l7y s GLU 83 Ca 0.03 0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.59 1l7y s GLU 83 Cb 0.15 -4.18 -0.03 0.00 0.26 0.00 0.00 34.13 30.33 1l7y s GLU 83 CO 0.86 -2.13 0.18 -0.51 -0.54 0.00 0.00 175.26 173.12 1l7y s LEU 84 N 6.46 1.24 -0.05 2.70 1.43 -0.48 -4.53 118.68 125.44 1l7y s LEU 84 Ca 0.50 -1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 1l7y s LEU 84 Cb -0.10 0.72 0.02 0.00 0.03 0.00 0.00 46.19 46.85 1l7y s LEU 84 CO 0.21 -0.84 0.22 -0.13 0.23 0.00 0.00 176.35 176.03 1l7y s ARG 85 N -4.05 0.39 -0.10 1.70 0.52 0.17 -2.67 118.95 114.90 1l7y s ARG 85 Ca 0.26 0.04 -0.04 0.00 -0.52 0.00 0.00 55.73 55.47 1l7y s ARG 85 Cb 0.05 0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.66 1l7y s ARG 85 CO 0.05 -0.08 0.04 -1.17 0.02 0.00 0.00 175.30 174.16 1l7y s LEU 86 N -0.51 3.82 -0.11 2.53 0.20 -0.12 -0.30 118.68 124.18 1l7y s LEU 86 Ca -0.06 0.23 -0.05 0.00 0.69 0.00 0.00 54.13 54.94 1l7y s LEU 86 Cb -0.04 -1.90 0.05 0.00 -0.43 0.00 0.00 46.19 43.88 1l7y s LEU 86 CO 0.01 0.37 0.24 -0.51 -0.29 0.00 0.00 176.35 176.18 1l7y s ILE 87 N -0.82 -0.20 -0.62 6.68 2.07 0.05 -2.22 121.20 126.14 1l7y s ILE 87 Ca 0.13 0.21 -0.27 0.00 -1.41 0.00 0.00 60.65 59.31 1l7y s ILE 87 Cb -0.12 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.08 1l7y s ILE 87 CO 0.03 0.09 1.52 -2.16 -1.91 0.00 0.00 174.94 172.51 1l7y s PRO 88 N 1.77 3.06 -0.63 3.50 0.04 -1.26 -0.78 135.00 140.70 1l7y s PRO 88 Ca -0.05 0.33 -0.27 0.00 0.04 0.00 0.00 61.00 61.05 1l7y s PRO 88 Cb -0.11 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1l7y s PRO 88 CO -0.08 -2.24 1.59 1.03 0.04 0.00 0.00 177.00 177.34 1l7y s ARG 89 N 6.05 2.96 -0.05 4.56 0.52 -0.51 -4.53 118.95 127.95 1l7y s ARG 89 Ca 0.53 0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.79 1l7y s ARG 89 Cb -0.11 -4.27 0.10 0.00 0.52 0.00 0.00 34.95 31.20 1l7y s ARG 89 CO 0.21 -2.36 0.88 0.16 0.02 0.00 0.00 175.30 174.21 1l7y s ASP 90 N 5.96 -0.41 0.06 0.23 1.47 -1.26 -4.50 116.67 118.22 1l7y s ASP 90 Ca 0.55 0.20 -0.19 0.00 1.18 0.00 0.00 52.55 54.28 1l7y s ASP 90 Cb -0.11 0.39 -0.11 0.00 -0.34 0.00 0.00 42.92 42.74 1l7y s ASP 90 CO 0.20 -0.55 1.44 -0.09 0.68 0.00 0.00 175.17 176.85 1l7y h ARG 91 N 2.27 0.39 -5.29 2.11 9.65 -1.98 -3.37 114.38 118.16 1l7y h ARG 91 Ca -0.22 -0.16 -0.60 0.00 -1.10 0.00 0.00 59.98 57.90 1l7y h ARG 91 Cb 1.21 -0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 29.65 1l7y h ARG 91 CO 0.32 0.65 -0.50 0.54 2.80 0.00 0.00 179.97 183.79 1l7y s VAL 92 N -4.70 5.36 -0.46 0.20 0.11 -1.26 -4.45 120.40 115.20 1l7y s VAL 92 Ca -0.14 0.17 -0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1l7y s VAL 92 Cb 0.06 -3.44 -0.00 0.00 -1.53 0.00 0.00 36.38 31.47 1l7y s VAL 92 CO 0.75 0.45 0.39 0.61 -3.33 0.00 0.00 175.10 173.96 1l7y n GLY 93 N 3.46 0.13 0.00 6.54 0.00 -1.26 -5.10 105.19 108.95 1l7y n GLY 93 Ca -0.16 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89