#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7y h SER 2 N 0.00 0.41 0.00 6.12 0.02 -2.00 -3.49 113.55 114.61 1l7y h SER 2 Ca 0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 1l7y h SER 2 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1l7y h SER 2 CO 0.00 1.79 0.00 0.61 -1.14 0.00 0.00 176.83 178.09 1l7y n GLY 3 N 1.95 -2.07 2.64 -3.77 0.00 -1.26 -4.85 105.19 97.84 1l7y n GLY 3 Ca -0.30 0.66 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.49 4.95 3.49 -0.02 0.00 -1.26 -4.85 105.19 106.00 1l7y n GLY 4 Ca 0.00 -2.74 0.01 0.00 0.00 0.00 0.00 46.02 43.29 1l7y n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1l7y s THR 5 N -2.59 -0.94 -0.14 2.61 -1.32 -1.26 -3.49 115.64 108.51 1l7y s THR 5 Ca 0.36 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.72 1l7y s THR 5 Cb 0.11 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 70.00 1l7y s THR 5 CO 0.03 0.00 0.16 0.00 -2.21 0.00 0.00 174.62 172.60 1l7y h ALA 6 N 7.96 0.05 0.00 11.08 0.00 -1.93 -3.44 119.26 132.98 1l7y h ALA 6 Ca -0.19 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1l7y h ALA 6 Cb 1.12 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1l7y h ALA 6 CO 0.13 0.27 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 1l7y n ALA 7 N -3.09 3.00 -0.07 0.00 0.00 -1.26 -4.93 120.51 114.16 1l7y n ALA 7 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1l7y n ALA 7 Cb 0.30 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 1l7y n ALA 7 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1l7y n THR 8 N -3.40 0.78 -3.56 0.00 -2.24 -1.26 -5.08 114.28 99.52 1l7y n THR 8 Ca 0.00 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1l7y n THR 8 Cb 0.02 -1.64 -0.06 0.00 -2.10 0.00 0.00 70.33 66.55 1l7y n THR 8 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1l7y s THR 9 N -2.26 0.00 -0.00 4.28 -1.32 -1.26 -5.03 115.64 110.04 1l7y s THR 9 Ca -0.20 -0.01 0.04 0.00 -1.21 0.00 0.00 61.69 60.31 1l7y s THR 9 Cb 0.07 -0.99 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1l7y s THR 9 CO 0.25 -0.01 -0.11 0.00 -2.21 0.00 0.00 174.62 172.55 1l7y s ALA 10 N -0.65 0.94 -0.41 11.08 0.00 -1.23 -4.53 121.76 126.97 1l7y s ALA 10 Ca -0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 1l7y s ALA 10 Cb -0.02 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 22.97 1l7y s ALA 10 CO 0.07 0.22 2.61 0.41 0.00 0.00 0.00 175.76 179.07 1l7y n GLY 11 N 2.67 4.27 0.91 0.00 0.00 -1.26 -4.25 105.19 107.52 1l7y n GLY 11 Ca -0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 1l7y n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1l7y n SER 12 N 0.78 0.65 -4.20 1.61 7.64 -1.26 -5.07 113.62 113.77 1l7y n SER 12 Ca 0.44 0.09 -0.12 0.00 1.01 0.00 0.00 58.87 60.30 1l7y n SER 12 Cb 0.57 -0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 1l7y n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1l7y s LYS 13 N -2.09 1.07 -0.17 1.43 1.02 -1.26 -4.25 119.74 115.49 1l7y s LYS 13 Ca -0.04 -1.53 0.01 0.00 0.02 0.00 0.00 55.97 54.42 1l7y s LYS 13 Cb 0.01 0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1l7y s LYS 13 CO 0.06 -0.26 -0.19 0.14 -0.92 0.00 0.00 175.35 174.18 1l7y s VAL 14 N -3.95 2.24 -0.06 3.17 -7.23 0.14 -4.30 120.40 110.40 1l7y s VAL 14 Ca 0.28 -0.89 -0.08 0.00 -1.81 0.00 0.00 61.98 59.48 1l7y s VAL 14 Cb 0.07 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1l7y s VAL 14 CO 0.05 0.53 0.23 0.42 -0.31 0.00 0.00 175.10 176.02 1l7y s THR 15 N 1.13 5.36 -0.03 5.32 -4.23 -1.26 -2.39 115.64 119.54 1l7y s THR 15 Ca 0.01 0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.87 1l7y s THR 15 Cb -0.14 -3.51 -0.01 0.00 1.34 0.00 0.00 72.50 70.18 1l7y s THR 15 CO -0.08 0.53 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.99 1l7y s PHE 16 N -1.12 1.78 -0.32 3.99 0.08 -0.31 -4.07 117.98 118.00 1l7y s PHE 16 Ca 0.20 -0.43 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 1l7y s PHE 16 Cb -0.13 -1.17 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 1l7y s PHE 16 CO 0.10 -0.10 0.08 0.21 -0.10 0.00 0.00 175.22 175.40 1l7y s LYS 17 N -0.22 2.70 -0.30 0.44 2.20 -1.24 -1.02 119.74 122.31 1l7y s LYS 17 Ca 0.02 -1.12 -0.02 0.00 -0.36 0.00 0.00 55.97 54.49 1l7y s LYS 17 Cb -0.10 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 32.89 1l7y s LYS 17 CO 0.01 -0.60 0.01 0.42 -0.36 0.00 0.00 175.35 174.82 1l7y s ILE 18 N 1.40 3.04 -0.17 5.43 1.09 -0.48 -0.68 121.20 130.84 1l7y s ILE 18 Ca -0.01 -1.36 -0.07 0.00 -1.10 0.00 0.00 60.65 58.11 1l7y s ILE 18 Cb -0.19 -2.75 -0.04 0.00 -1.06 0.00 0.00 42.46 38.43 1l7y s ILE 18 CO 0.02 -0.11 0.06 -0.89 -0.10 0.00 0.00 174.94 173.92 1l7y s THR 19 N 1.26 4.79 0.07 2.92 2.01 -1.11 -1.16 115.64 124.43 1l7y s THR 19 Ca -0.05 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.60 1l7y s THR 19 Cb -0.20 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.10 1l7y s THR 19 CO -0.01 0.49 1.61 -0.22 -0.69 0.00 0.00 174.62 175.81 1l7y s LEU 20 N 0.12 4.36 -0.05 4.42 0.20 -1.06 -0.98 118.68 125.68 1l7y s LEU 20 Ca 0.05 2.46 -0.15 0.00 0.69 0.00 0.00 54.13 57.18 1l7y s LEU 20 Cb -0.12 -3.57 -0.31 0.00 -0.43 0.00 0.00 46.19 41.77 1l7y s LEU 20 CO 0.01 -0.86 0.72 0.71 -0.29 0.00 0.00 176.35 176.64 1l7y h THR 21 N 4.71 1.11 -0.62 3.68 1.35 -1.76 -3.34 112.91 118.05 1l7y h THR 21 Ca -0.42 -2.51 -0.02 0.00 -0.55 0.00 0.00 66.41 62.91 1l7y h THR 21 Cb 1.20 2.86 -0.03 0.00 -1.73 0.00 0.00 68.15 70.45 1l7y h THR 21 CO 0.92 0.78 0.29 0.28 -0.25 0.00 0.00 175.52 177.54 1l7y h SER 22 N -0.10 0.79 -3.86 5.36 0.02 -1.91 -3.43 113.55 110.42 1l7y h SER 22 Ca -0.29 -0.08 -0.53 0.00 -0.84 0.00 0.00 61.79 60.06 1l7y h SER 22 Cb 1.93 -0.20 0.07 0.00 0.14 0.00 0.00 62.40 64.34 1l7y h SER 22 CO 0.15 0.68 0.67 -0.62 -1.14 0.00 0.00 176.83 176.56 1l7y s ASP 23 N -6.50 6.70 0.22 3.07 2.15 -1.25 -4.92 116.67 116.13 1l7y s ASP 23 Ca -0.10 2.75 0.10 0.00 0.43 0.00 0.00 52.55 55.72 1l7y s ASP 23 Cb 0.17 -2.65 0.15 0.00 -0.30 0.00 0.00 42.92 40.29 1l7y s ASP 23 CO 0.79 -0.60 1.49 1.55 -0.17 0.00 0.00 175.17 178.23 1l7y h PRO 24 N 3.41 0.00 0.00 4.34 0.13 -1.88 -3.14 132.00 134.86 1l7y h PRO 24 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.53 1l7y h PRO 24 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1l7y h PRO 24 CO 0.66 0.75 -0.53 0.87 -0.23 0.00 0.00 178.00 179.51 1l7y h LYS 25 N 0.00 0.00 -5.09 0.86 1.57 -1.92 -3.48 116.57 108.51 1l7y h LYS 25 Ca -0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 1l7y h LYS 25 Cb 1.34 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.73 1l7y h LYS 25 CO 0.10 0.53 -0.36 1.28 -0.57 0.00 0.00 179.45 180.43 1l7y n LEU 26 N -3.35 -5.71 -4.61 2.94 4.32 -1.19 -4.92 117.00 104.49 1l7y n LEU 26 Ca 0.01 -0.33 -0.43 0.00 -0.02 0.00 0.00 56.01 55.24 1l7y n LEU 26 Cb 0.69 -2.94 -0.02 0.00 -1.62 0.00 0.00 43.42 39.52 1l7y n LEU 26 CO 0.40 -0.47 1.15 -2.16 -1.22 0.00 0.00 177.39 175.09 1l7y s PRO 27 N -3.57 3.71 0.46 3.23 0.04 -1.26 -4.73 135.00 132.88 1l7y s PRO 27 Ca 0.19 0.92 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 1l7y s PRO 27 Cb -0.02 -3.95 -0.07 0.00 0.04 0.00 0.00 34.50 30.49 1l7y s PRO 27 CO 0.65 -1.39 0.88 -0.59 0.04 0.00 0.00 177.00 176.59 1l7y s PHE 28 N 4.87 3.46 -0.02 0.56 -0.12 -1.26 -2.58 117.98 122.89 1l7y s PHE 28 Ca 0.56 1.26 0.01 0.00 -0.05 0.00 0.00 56.93 58.71 1l7y s PHE 28 Cb -0.13 -2.62 0.01 0.00 -0.63 0.00 0.00 43.02 39.66 1l7y s PHE 28 CO 0.29 -0.24 -0.05 0.21 -0.05 0.00 0.00 175.22 175.38 1l7y s LYS 29 N -3.97 0.66 -0.28 1.99 2.20 -0.31 -4.91 119.74 115.13 1l7y s LYS 29 Ca 0.55 -0.16 -0.10 0.00 -0.36 0.00 0.00 55.97 55.90 1l7y s LYS 29 Cb -0.10 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.51 1l7y s LYS 29 CO 0.32 0.02 0.17 0.08 -0.36 0.00 0.00 175.35 175.58 1l7y s VAL 30 N 0.42 5.12 -0.30 4.02 1.01 -1.26 -1.39 120.40 128.03 1l7y s VAL 30 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1l7y s VAL 30 Cb -0.09 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.89 1l7y s VAL 30 CO -0.00 0.25 -0.01 -0.76 0.00 0.00 0.00 175.10 174.58 1l7y s LEU 31 N 1.73 3.84 -0.26 3.92 1.43 -0.19 -4.92 118.68 124.23 1l7y s LEU 31 Ca 0.07 -1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 51.81 1l7y s LEU 31 Cb -0.16 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1l7y s LEU 31 CO 0.10 -0.25 0.14 -0.55 0.23 0.00 0.00 176.35 176.01 1l7y s SER 32 N 1.25 5.67 0.06 2.29 0.15 -1.26 -1.17 113.70 120.69 1l7y s SER 32 Ca -0.05 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.52 1l7y s SER 32 Cb -0.20 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1l7y s SER 32 CO -0.01 -0.03 -0.04 0.68 1.20 0.00 0.00 173.24 175.04 1l7y s VAL 33 N 1.59 0.35 0.47 4.45 -7.23 -1.01 -4.96 120.40 114.07 1l7y s VAL 33 Ca 0.07 -1.73 -0.20 0.00 -1.81 0.00 0.00 61.98 58.31 1l7y s VAL 33 Cb -0.15 -1.41 -0.09 0.00 0.56 0.00 0.00 36.38 35.29 1l7y s VAL 33 CO 0.07 -0.89 1.01 -2.16 -0.31 0.00 0.00 175.10 172.82 1l7y s PRO 34 N -3.56 3.94 -1.04 4.82 0.04 -1.26 -0.69 135.00 137.24 1l7y s PRO 34 Ca 0.05 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.11 1l7y s PRO 34 Cb 0.05 -2.12 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 1l7y s PRO 34 CO -0.07 -0.30 2.08 -1.21 0.04 0.00 0.00 177.00 177.53 1l7y s GLU 35 N -3.26 1.87 0.00 4.56 8.01 -1.26 -2.61 118.70 126.01 1l7y s GLU 35 Ca 0.65 -0.51 0.00 0.00 0.01 0.00 0.00 54.97 55.12 1l7y s GLU 35 Cb -0.14 -5.05 0.00 0.00 -4.31 0.00 0.00 34.13 24.64 1l7y s GLU 35 CO 0.18 -4.54 0.00 -1.13 0.01 0.00 0.00 175.26 169.79 1l7y n SER 36 N 16.97 0.00 -4.75 -0.19 3.41 -1.26 -4.90 113.62 122.90 1l7y n SER 36 Ca 0.43 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.63 1l7y n SER 36 Cb 0.46 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1l7y n SER 36 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1l7y s THR 37 N -0.98 2.83 0.69 6.66 -4.23 -1.07 -4.76 115.64 114.78 1l7y s THR 37 Ca 0.00 0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 61.14 1l7y s THR 37 Cb 0.00 -3.47 0.01 0.00 1.34 0.00 0.00 72.50 70.37 1l7y s THR 37 CO 0.00 0.14 1.07 -2.16 -0.54 0.00 0.00 174.62 173.13 1l7y s PRO 38 N -0.88 2.98 0.41 3.99 0.04 -1.26 -0.60 135.00 139.69 1l7y s PRO 38 Ca 0.54 0.73 0.29 0.00 0.04 0.00 0.00 61.00 62.60 1l7y s PRO 38 Cb -0.40 -2.01 1.39 0.00 0.04 0.00 0.00 34.50 33.52 1l7y s PRO 38 CO 0.46 -1.01 1.88 0.35 0.04 0.00 0.00 177.00 178.72 1l7y h PHE 39 N -0.64 0.00 -0.48 0.56 3.57 -0.93 -2.47 116.94 116.54 1l7y h PHE 39 Ca -0.45 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1l7y h PHE 39 Cb 1.22 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1l7y h PHE 39 CO 0.58 0.00 0.25 1.79 -2.23 0.00 0.00 178.31 178.70 1l7y h THR 40 N 0.00 1.18 -0.07 4.41 1.35 -1.80 0.25 112.91 118.23 1l7y h THR 40 Ca 0.00 -0.47 -0.24 0.00 -0.55 0.00 0.00 66.41 65.14 1l7y h THR 40 Cb 0.23 0.61 0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1l7y h THR 40 CO 0.00 0.19 -0.91 0.00 -0.25 0.00 0.00 175.52 174.55 1l7y h ALA 41 N 1.09 0.24 0.16 6.62 0.00 -1.83 -2.27 119.26 123.27 1l7y h ALA 41 Ca 0.17 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1l7y h ALA 41 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1l7y h ALA 41 CO -0.02 0.70 -0.08 0.28 0.00 0.00 0.00 179.25 180.12 1l7y h VAL 42 N 0.45 0.90 -0.45 0.00 2.07 -1.27 -0.92 116.25 117.03 1l7y h VAL 42 Ca -0.09 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1l7y h VAL 42 Cb 1.55 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1l7y h VAL 42 CO 0.18 0.05 0.27 0.25 0.02 0.00 0.00 177.57 178.34 1l7y h LEU 43 N -0.32 0.52 -0.28 2.57 6.46 -0.58 -2.13 115.31 121.55 1l7y h LEU 43 Ca -0.02 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.65 1l7y h LEU 43 Cb 0.25 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1l7y h LEU 43 CO 0.04 0.40 -0.10 0.50 -0.62 0.00 0.00 178.44 178.66 1l7y h LYS 44 N 0.61 0.57 -0.68 1.25 3.64 -1.03 -0.23 116.57 120.70 1l7y h LYS 44 Ca 0.16 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1l7y h LYS 44 Cb -0.03 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1l7y h LYS 44 CO -0.03 0.79 0.38 0.74 -2.27 0.00 0.00 179.45 179.05 1l7y h PHE 45 N 0.32 0.93 -0.23 1.91 0.04 -0.71 0.13 116.94 119.32 1l7y h PHE 45 Ca 0.07 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 1l7y h PHE 45 Cb 0.59 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1l7y h PHE 45 CO 0.06 0.65 -0.15 0.00 -0.60 0.00 0.00 178.31 178.27 1l7y h ALA 46 N 1.19 0.33 -0.35 2.45 0.00 -1.34 -2.99 119.26 118.55 1l7y h ALA 46 Ca 0.24 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1l7y h ALA 46 Cb 0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1l7y h ALA 46 CO -0.04 0.22 0.04 0.00 0.00 0.00 0.00 179.25 179.48 1l7y h ALA 47 N 0.70 1.43 -0.12 0.00 0.00 -0.79 -1.51 119.26 118.96 1l7y h ALA 47 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1l7y h ALA 47 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1l7y h ALA 47 CO 0.04 0.41 0.08 1.49 0.00 0.00 0.00 179.25 181.27 1l7y h GLU 48 N 0.51 0.15 -0.51 0.00 4.81 -0.62 0.64 114.58 119.57 1l7y h GLU 48 Ca 0.12 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1l7y h GLU 48 Cb 0.26 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1l7y h GLU 48 CO 0.00 0.10 -0.12 1.49 -0.73 0.00 0.00 179.01 179.75 1l7y h GLU 49 N 0.16 0.98 0.00 1.92 4.22 -1.37 -2.57 114.58 117.93 1l7y h GLU 49 Ca 0.04 -0.38 0.00 0.00 0.08 0.00 0.00 59.36 59.11 1l7y h GLU 49 Cb -0.01 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1l7y h GLU 49 CO -0.01 1.05 0.00 1.19 -2.18 0.00 0.00 179.01 179.06 1l7y n PHE 50 N -4.18 0.00 -3.18 0.92 3.72 -0.59 -4.88 117.46 109.27 1l7y n PHE 50 Ca 0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.26 1l7y n PHE 50 Cb 0.41 -0.42 0.05 0.00 -0.94 0.00 0.00 39.48 38.58 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 -1.42 -5.14 -4.25 -1.08 5.02 0.05 -5.03 118.16 106.31 1l7y n LYS 51 Ca 0.06 0.55 -0.14 0.00 -2.02 0.00 0.00 58.31 56.76 1l7y n LYS 51 Cb 0.18 -4.73 -0.10 0.00 -0.02 0.00 0.00 35.03 30.36 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 -3.21 1.03 0.07 -0.18 -7.23 -0.22 -5.04 120.40 105.61 1l7y s VAL 52 Ca 0.33 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 1l7y s VAL 52 Cb -0.15 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 1l7y s VAL 52 CO 0.48 -0.68 1.07 -2.16 -0.31 0.00 0.00 175.10 173.50 1l7y s PRO 53 N -3.79 4.55 0.12 4.82 0.04 -1.26 -4.29 135.00 135.19 1l7y s PRO 53 Ca 0.18 1.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 1l7y s PRO 53 Cb 0.04 -3.38 -0.11 0.00 0.04 0.00 0.00 34.50 31.09 1l7y s PRO 53 CO 0.01 -0.05 1.29 0.00 0.04 0.00 0.00 177.00 178.29 1l7y h ALA 54 N 6.31 0.34 -0.15 8.56 0.00 -1.88 0.43 119.26 132.87 1l7y h ALA 54 Ca -0.42 -0.72 -0.17 0.00 0.00 0.00 0.00 54.91 53.60 1l7y h ALA 54 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1l7y h ALA 54 CO 0.76 0.82 -0.61 0.00 0.00 0.00 0.00 179.25 180.22 1l7y h ALA 55 N 0.72 0.66 0.11 0.00 0.00 -1.96 -3.32 119.26 115.46 1l7y h ALA 55 Ca -0.09 -0.54 -0.30 0.00 0.00 0.00 0.00 54.91 53.98 1l7y h ALA 55 Cb 1.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1l7y h ALA 55 CO 0.17 0.71 -1.55 1.15 0.00 0.00 0.00 179.25 179.72 1l7y h THR 56 N 0.38 0.92 -4.25 0.00 2.02 -1.92 -3.47 112.91 106.59 1l7y h THR 56 Ca -0.01 -2.37 -0.49 0.00 0.77 0.00 0.00 66.41 64.32 1l7y h THR 56 Cb 1.16 2.62 0.04 0.00 -1.74 0.00 0.00 68.15 70.23 1l7y h THR 56 CO 0.11 0.72 0.39 -0.55 0.37 0.00 0.00 175.52 176.56 1l7y s SER 57 N -7.04 6.31 0.32 4.18 0.15 0.14 -3.09 113.70 114.68 1l7y s SER 57 Ca -0.21 1.57 0.03 0.00 0.70 0.00 0.00 55.95 58.04 1l7y s SER 57 Cb 0.05 -2.50 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 1l7y s SER 57 CO 0.75 -0.80 0.07 0.00 1.20 0.00 0.00 173.24 174.46 1l7y s ALA 58 N -2.78 2.31 -0.16 5.45 0.00 0.39 -4.73 121.76 122.25 1l7y s ALA 58 Ca 0.58 -1.94 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1l7y s ALA 58 Cb -0.11 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1l7y s ALA 58 CO 0.40 -0.34 -0.16 0.42 0.00 0.00 0.00 175.76 176.08 1l7y s ILE 59 N -3.37 1.75 0.53 0.00 1.01 -1.02 -1.33 121.20 118.78 1l7y s ILE 59 Ca 0.35 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1l7y s ILE 59 Cb 0.08 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.99 1l7y s ILE 59 CO 0.15 0.49 0.73 0.27 0.00 0.00 0.00 174.94 176.58 1l7y s ILE 60 N 1.41 2.50 0.46 2.92 -4.36 -0.37 0.31 121.20 124.07 1l7y s ILE 60 Ca 0.05 -0.93 0.08 0.00 -0.26 0.00 0.00 60.65 59.59 1l7y s ILE 60 Cb -0.13 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 41.03 1l7y s ILE 60 CO -0.12 0.00 0.57 0.42 0.24 0.00 0.00 174.94 176.06 1l7y s THR 61 N -2.61 2.68 0.35 8.37 -4.23 -0.18 0.44 115.64 120.46 1l7y s THR 61 Ca 0.59 -1.09 0.25 0.00 -1.18 0.00 0.00 61.69 60.27 1l7y s THR 61 Cb -0.08 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 71.26 1l7y s THR 61 CO 0.37 0.00 2.00 0.78 -0.54 0.00 0.00 174.62 177.23 1l7y h ASN 62 N 0.62 0.00 0.01 3.99 4.21 -1.80 -3.18 115.58 119.43 1l7y h ASN 62 Ca -0.38 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.13 1l7y h ASN 62 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1l7y h ASN 62 CO 0.47 0.16 -0.01 0.44 -1.29 0.00 0.00 177.43 177.21 1l7y h ASP 63 N 0.00 -0.01 0.00 5.81 5.19 -1.94 -3.49 116.42 121.98 1l7y h ASP 63 Ca -0.00 -0.38 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1l7y h ASP 63 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1l7y h ASP 63 CO 0.02 0.67 0.00 0.61 -3.12 0.00 0.00 179.24 177.42 1l7y n GLY 64 N 1.65 -0.26 3.01 2.75 0.00 -1.20 -5.15 105.19 105.99 1l7y n GLY 64 Ca -0.04 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.57 -1.09 1.61 1.01 -1.26 -4.89 120.40 117.35 1l7y s VAL 65 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1l7y s VAL 65 Cb 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1l7y s VAL 65 CO 0.00 0.42 1.78 -0.83 0.00 0.00 0.00 175.10 176.47 1l7y s GLY 66 N 1.48 0.75 0.17 4.51 0.00 -1.26 -1.01 107.32 111.95 1l7y s GLY 66 Ca 0.04 -2.16 -0.30 0.00 0.00 0.00 0.00 44.72 42.30 1l7y s GLY 66 CO -0.10 3.15 1.28 0.14 0.00 0.00 0.00 173.10 177.57 1l7y s VAL 67 N 7.86 3.38 0.30 1.40 1.01 0.15 -4.91 120.40 129.58 1l7y s VAL 67 Ca 0.60 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.77 1l7y s VAL 67 Cb -0.01 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1l7y s VAL 67 CO 0.02 0.15 0.16 0.20 0.00 0.00 0.00 175.10 175.63 1l7y s ASN 68 N 0.45 5.01 -1.37 3.32 -0.87 -1.26 -2.44 114.94 117.78 1l7y s ASN 68 Ca 0.57 -0.54 -0.12 0.00 -1.57 0.00 0.00 52.86 51.20 1l7y s ASN 68 Cb -0.35 -0.99 -0.05 0.00 -0.02 0.00 0.00 41.25 39.84 1l7y s ASN 68 CO 0.36 -0.17 2.46 -0.81 -2.57 0.00 0.00 177.10 176.38 1l7y n PRO 69 N -1.15 2.92 0.00 -0.60 -0.04 -1.26 -4.05 135.00 130.82 1l7y n PRO 69 Ca -0.05 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1l7y n PRO 69 Cb 0.59 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 5.02 1.64 -2.16 0.55 0.00 -1.26 -4.18 120.51 120.12 1l7y n ALA 70 Ca 0.61 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.78 1l7y n ALA 70 Cb 0.29 0.16 0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.50 3.33 0.57 0.00 -0.21 -1.26 -4.80 119.66 115.80 1l7y s GLN 71 Ca 0.00 0.20 -0.15 0.00 0.02 0.00 0.00 55.36 55.43 1l7y s GLN 71 Cb 0.00 -2.30 -0.05 0.00 1.00 0.00 0.00 33.01 31.66 1l7y s GLN 71 CO 0.00 -0.42 1.02 -1.25 -2.12 0.00 0.00 175.29 172.52 1l7y s PRO 72 N -4.88 3.63 0.24 2.91 0.04 -1.26 -0.32 135.00 135.37 1l7y s PRO 72 Ca 0.51 0.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.49 1l7y s PRO 72 Cb -0.10 -2.09 0.38 0.00 0.04 0.00 0.00 34.50 32.73 1l7y s PRO 72 CO 0.46 -0.54 1.83 0.00 0.04 0.00 0.00 177.00 178.79 1l7y h ALA 73 N 0.44 1.19 -0.72 8.56 0.00 -1.10 -0.58 119.26 127.06 1l7y h ALA 73 Ca -0.46 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1l7y h ALA 73 Cb 1.20 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1l7y h ALA 73 CO 0.60 0.18 0.43 0.78 0.00 0.00 0.00 179.25 181.24 1l7y h GLY 74 N 0.88 1.05 1.26 0.00 0.00 -1.87 -1.01 103.07 103.38 1l7y h GLY 74 Ca 0.39 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 47.23 1l7y h GLY 74 CO -0.22 0.24 -0.54 -0.57 0.00 0.00 0.00 176.54 175.45 1l7y h ASN 75 N 0.82 0.86 -0.79 0.19 -0.73 -1.72 -1.32 115.58 112.89 1l7y h ASN 75 Ca 0.30 -0.46 -0.01 0.00 1.87 0.00 0.00 56.30 58.01 1l7y h ASN 75 Cb 0.10 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 38.41 1l7y h ASN 75 CO -0.14 1.23 0.46 0.40 -0.37 0.00 0.00 177.43 179.00 1l7y h ILE 76 N 0.60 1.23 -0.04 2.57 1.08 -0.60 -1.06 117.51 121.29 1l7y h ILE 76 Ca 0.02 -0.53 -0.20 0.00 -0.39 0.00 0.00 64.86 63.75 1l7y h ILE 76 Cb 1.12 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1l7y h ILE 76 CO 0.11 0.25 -0.82 0.15 -0.69 0.00 0.00 178.15 177.15 1l7y h PHE 77 N 1.09 0.53 -0.26 1.37 3.57 -1.16 0.67 116.94 122.75 1l7y h PHE 77 Ca 0.28 -0.26 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1l7y h PHE 77 Cb -0.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1l7y h PHE 77 CO -0.00 1.05 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.83 1l7y h LEU 78 N 0.24 0.48 0.00 0.59 -0.00 -0.83 -1.74 115.31 114.04 1l7y h LEU 78 Ca -0.05 -0.15 -0.23 0.00 -0.00 0.00 0.00 57.88 57.44 1l7y h LEU 78 Cb 1.43 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.92 1l7y h LEU 78 CO 0.14 0.71 -1.39 0.29 -0.00 0.00 0.00 178.44 178.19 1l7y n LYS 79 N -4.14 0.55 -0.10 1.13 5.02 -0.44 -4.78 118.16 115.41 1l7y n LYS 79 Ca -0.00 0.49 -0.14 0.00 -2.02 0.00 0.00 58.31 56.65 1l7y n LYS 79 Cb 0.39 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1l7y n LYS 79 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1l7y n HIS 80 N -4.43 0.41 0.00 2.13 8.25 0.14 -5.07 115.22 116.66 1l7y n HIS 80 Ca -0.32 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1l7y n HIS 80 Cb 0.65 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 31.01 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 1.46 0.92 1.31 -1.41 0.00 -0.65 -4.28 105.19 102.54 1l7y n GLY 81 Ca -0.22 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 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 3.00 -3.88 1.61 2.88 -1.26 -4.46 113.62 111.51 1l7y n SER 82 Ca 0.00 -3.68 -0.29 0.00 -1.33 0.00 0.00 58.87 53.57 1l7y n SER 82 Cb 0.00 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 62.89 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 -3.26 2.12 0.31 -1.46 8.01 -1.26 -3.60 118.70 119.57 1l7y s GLU 83 Ca 0.43 -2.92 0.03 0.00 0.01 0.00 0.00 54.97 52.52 1l7y s GLU 83 Cb 0.39 -3.22 -0.04 0.00 -4.31 0.00 0.00 34.13 26.94 1l7y s GLU 83 CO -0.03 -1.21 0.11 -0.51 0.01 0.00 0.00 175.26 173.63 1l7y s LEU 84 N -0.81 1.82 0.07 1.80 1.43 0.15 -2.69 118.68 120.44 1l7y s LEU 84 Ca 0.22 -1.49 -0.14 0.00 -1.03 0.00 0.00 54.13 51.68 1l7y s LEU 84 Cb -0.14 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.08 1l7y s LEU 84 CO -0.09 -0.79 0.33 -0.13 0.23 0.00 0.00 176.35 175.90 1l7y s ARG 85 N -3.88 0.89 -0.24 1.70 0.52 0.17 -2.75 118.95 115.36 1l7y s ARG 85 Ca 0.34 -0.58 -0.09 0.00 -0.52 0.00 0.00 55.73 54.89 1l7y s ARG 85 Cb 0.06 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.88 1l7y s ARG 85 CO 0.15 -0.30 0.11 -1.17 0.02 0.00 0.00 175.30 174.11 1l7y s LEU 86 N -2.31 3.81 -0.01 2.53 2.96 -0.15 -1.23 118.68 124.27 1l7y s LEU 86 Ca -0.02 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1l7y s LEU 86 Cb 0.00 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1l7y s LEU 86 CO -0.06 0.04 -0.00 -0.51 -1.32 0.00 0.00 176.35 174.50 1l7y s ILE 87 N 1.19 0.09 -0.46 6.68 2.07 -0.44 -1.93 121.20 128.40 1l7y s ILE 87 Ca 0.06 0.04 -0.28 0.00 -1.41 0.00 0.00 60.65 59.05 1l7y s ILE 87 Cb -0.14 -0.14 0.01 0.00 0.13 0.00 0.00 42.46 42.31 1l7y s ILE 87 CO 0.05 0.07 1.47 -2.16 -1.91 0.00 0.00 174.94 172.46 1l7y s PRO 88 N 0.48 3.43 -1.07 3.50 0.04 -1.26 -0.46 135.00 139.67 1l7y s PRO 88 Ca -0.04 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 61.63 1l7y s PRO 88 Cb -0.07 -4.09 0.09 0.00 0.04 0.00 0.00 34.50 30.47 1l7y s PRO 88 CO -0.01 -1.75 1.42 0.50 0.04 0.00 0.00 177.00 177.19 1l7y s ARG 89 N 5.26 3.71 0.02 4.56 3.52 -1.18 -4.51 118.95 130.34 1l7y s ARG 89 Ca 0.61 -1.58 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 1l7y s ARG 89 Cb -0.14 -5.25 0.00 0.00 -1.56 0.00 0.00 34.95 28.00 1l7y s ARG 89 CO 0.30 -2.06 0.00 -0.25 -0.81 0.00 0.00 175.30 172.48 1l7y n ASP 90 N 7.89 0.03 -0.11 -2.12 9.92 -1.26 -4.71 116.55 126.18 1l7y n ASP 90 Ca 0.34 0.03 -0.21 0.00 -0.53 0.00 0.00 54.79 54.42 1l7y n ASP 90 Cb 0.49 0.01 -0.08 0.00 -0.64 0.00 0.00 41.12 40.90 1l7y n ASP 90 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1l7y n ARG 91 N -2.77 0.55 -3.11 -1.24 0.63 -1.26 -4.97 116.66 104.50 1l7y n ARG 91 Ca 0.00 0.38 -0.28 0.00 -0.92 0.00 0.00 57.85 57.03 1l7y n ARG 91 Cb 0.18 -1.58 -0.02 0.00 0.45 0.00 0.00 32.46 31.49 1l7y n ARG 91 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1l7y s VAL 92 N -2.50 4.97 -1.30 5.15 -7.23 -1.26 -4.99 120.40 113.24 1l7y s VAL 92 Ca -0.31 0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 59.87 1l7y s VAL 92 Cb 0.09 -3.79 0.15 0.00 0.56 0.00 0.00 36.38 33.39 1l7y s VAL 92 CO 0.47 -0.52 2.12 0.61 -0.31 0.00 0.00 175.10 177.47 1l7y n GLY 93 N -1.45 5.00 0.00 2.32 0.00 -1.26 -4.75 105.19 105.05 1l7y n GLY 93 Ca -0.01 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89