#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 -7.77 -4.57 6.12 2.88 -1.26 -4.74 113.62 104.28 1l7y n SER 2 Ca 0.00 0.81 -0.44 0.00 -1.33 0.00 0.00 58.87 57.91 1l7y n SER 2 Cb 0.00 -4.95 -0.04 0.00 -0.75 0.00 0.00 64.21 58.48 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 0.15 0.89 0.00 0.46 0.00 -1.26 -3.01 105.19 102.42 1l7y n GLY 3 Ca 0.06 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 5.92 2.19 3.91 -0.02 0.00 -1.26 -5.05 105.19 110.87 1l7y n GLY 4 Ca 0.32 -0.74 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 4.62 0.05 2.61 -1.32 -1.16 -5.00 115.64 115.43 1l7y s THR 5 Ca 0.00 0.15 -0.10 0.00 -1.21 0.00 0.00 61.69 60.52 1l7y s THR 5 Cb 0.00 -3.77 -0.32 0.00 -1.51 0.00 0.00 72.50 66.91 1l7y s THR 5 CO 0.00 -0.76 1.08 0.00 -2.21 0.00 0.00 174.62 172.73 1l7y h ALA 6 N 0.14 -0.03 -6.59 11.08 0.00 -1.86 -3.41 119.26 118.59 1l7y h ALA 6 Ca -0.47 -0.86 -0.52 0.00 0.00 0.00 0.00 54.91 53.06 1l7y h ALA 6 Cb 1.22 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1l7y h ALA 6 CO 0.61 0.83 -0.87 0.00 0.00 0.00 0.00 179.25 179.82 1l7y n ALA 7 N -2.63 -1.75 -2.51 0.00 0.00 -1.26 -4.81 120.51 107.56 1l7y n ALA 7 Ca -0.13 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.71 1l7y n ALA 7 Cb 1.06 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 1l7y n ALA 7 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1l7y s THR 8 N -3.74 4.15 0.04 0.00 -4.23 -1.26 -4.88 115.64 105.71 1l7y s THR 8 Ca 0.26 1.23 -0.16 0.00 -1.18 0.00 0.00 61.69 61.83 1l7y s THR 8 Cb -0.14 -4.40 -0.28 0.00 1.34 0.00 0.00 72.50 69.03 1l7y s THR 8 CO 0.90 -0.78 1.09 0.71 -0.54 0.00 0.00 174.62 176.00 1l7y h THR 9 N 6.18 1.33 -3.21 3.99 1.35 -1.98 -3.45 112.91 117.11 1l7y h THR 9 Ca -0.24 -2.38 -0.64 0.00 -0.55 0.00 0.00 66.41 62.60 1l7y h THR 9 Cb 1.08 2.69 -0.13 0.00 -1.73 0.00 0.00 68.15 70.06 1l7y h THR 9 CO 1.09 0.72 -0.69 0.00 -0.25 0.00 0.00 175.52 176.38 1l7y s ALA 10 N -3.01 3.12 -0.02 6.62 0.00 -1.26 -5.06 121.76 122.16 1l7y s ALA 10 Ca -0.11 -1.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.40 1l7y s ALA 10 Cb 0.05 -0.99 -0.10 0.00 0.00 0.00 0.00 23.12 22.09 1l7y s ALA 10 CO 0.91 0.58 0.75 0.78 0.00 0.00 0.00 175.76 178.78 1l7y h GLY 11 N 3.17 -0.65 -7.08 0.00 0.00 -2.03 -3.42 103.07 93.06 1l7y h GLY 11 Ca -0.48 0.24 -0.62 0.00 0.00 0.00 0.00 47.33 46.47 1l7y h GLY 11 CO 0.56 -0.24 -0.18 -1.35 0.00 0.00 0.00 176.54 175.34 1l7y s SER 12 N -4.59 6.32 0.03 0.19 1.04 -1.26 -5.06 113.70 110.37 1l7y s SER 12 Ca -0.09 0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 1l7y s SER 12 Cb 0.01 -2.23 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 1l7y s SER 12 CO 0.27 -0.20 0.03 -1.59 0.98 0.00 0.00 173.24 172.74 1l7y s LYS 13 N 2.04 0.51 -0.04 4.02 -2.85 -1.26 -3.98 119.74 118.18 1l7y s LYS 13 Ca 0.17 -0.81 0.01 0.00 -1.00 0.00 0.00 55.97 54.33 1l7y s LYS 13 Cb -0.16 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.77 1l7y s LYS 13 CO 0.09 -0.11 -0.03 0.14 0.10 0.00 0.00 175.35 175.54 1l7y s VAL 14 N -2.56 3.95 0.04 1.79 -7.23 0.56 -4.93 120.40 112.02 1l7y s VAL 14 Ca -0.05 -0.50 -0.03 0.00 -1.81 0.00 0.00 61.98 59.58 1l7y s VAL 14 Cb -0.02 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1l7y s VAL 14 CO -0.05 0.51 0.24 0.42 -0.31 0.00 0.00 175.10 175.92 1l7y s THR 15 N -0.93 5.35 0.06 5.32 -4.23 -1.26 -2.41 115.64 117.55 1l7y s THR 15 Ca 0.15 -0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.60 1l7y s THR 15 Cb -0.11 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 1l7y s THR 15 CO 0.05 0.23 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.82 1l7y s PHE 16 N -1.43 1.54 -0.13 3.99 0.08 0.72 -4.21 117.98 118.54 1l7y s PHE 16 Ca 0.32 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.97 1l7y s PHE 16 Cb -0.13 -0.89 0.03 0.00 -0.57 0.00 0.00 43.02 41.46 1l7y s PHE 16 CO 0.22 0.10 -0.07 0.21 -0.10 0.00 0.00 175.22 175.58 1l7y s LYS 17 N -1.47 1.50 -0.10 0.44 2.20 0.43 -1.02 119.74 121.71 1l7y s LYS 17 Ca 0.04 -0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.37 1l7y s LYS 17 Cb -0.09 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 1l7y s LYS 17 CO 0.02 -0.31 -0.22 0.42 -0.36 0.00 0.00 175.35 174.90 1l7y s ILE 18 N 1.69 1.92 0.06 5.43 1.09 -0.61 -0.48 121.20 130.31 1l7y s ILE 18 Ca 0.04 -0.94 0.07 0.00 -1.10 0.00 0.00 60.65 58.72 1l7y s ILE 18 Cb -0.13 -1.67 -0.03 0.00 -1.06 0.00 0.00 42.46 39.57 1l7y s ILE 18 CO -0.08 0.53 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.21 1l7y s THR 19 N 0.42 1.52 0.32 2.92 2.01 -1.08 -0.82 115.64 120.93 1l7y s THR 19 Ca -0.18 -1.28 -0.29 0.00 0.31 0.00 0.00 61.69 60.25 1l7y s THR 19 Cb -0.18 -1.36 -0.10 0.00 0.01 0.00 0.00 72.50 70.87 1l7y s THR 19 CO 0.08 0.04 1.27 -0.22 -0.69 0.00 0.00 174.62 175.09 1l7y s LEU 20 N -1.46 4.45 -0.12 4.42 0.20 -1.26 -0.57 118.68 124.33 1l7y s LEU 20 Ca 0.05 2.61 -0.20 0.00 0.69 0.00 0.00 54.13 57.28 1l7y s LEU 20 Cb -0.09 -3.64 -0.26 0.00 -0.43 0.00 0.00 46.19 41.77 1l7y s LEU 20 CO 0.03 -0.46 0.57 0.71 -0.29 0.00 0.00 176.35 176.90 1l7y h THR 21 N 3.05 1.22 0.09 3.68 1.35 -1.80 -3.40 112.91 117.10 1l7y h THR 21 Ca -0.48 -2.36 -0.00 0.00 -0.55 0.00 0.00 66.41 63.01 1l7y h THR 21 Cb 1.22 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.46 1l7y h THR 21 CO 0.66 0.61 -0.04 0.28 -0.25 0.00 0.00 175.52 176.77 1l7y h SER 22 N -0.59 -0.10 -3.47 5.36 0.02 -1.61 -3.45 113.55 109.71 1l7y h SER 22 Ca -0.23 -0.41 -0.53 0.00 -0.84 0.00 0.00 61.79 59.78 1l7y h SER 22 Cb 1.50 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 1l7y h SER 22 CO 0.00 0.55 0.40 -0.62 -1.14 0.00 0.00 176.83 176.03 1l7y s ASP 23 N -5.66 7.38 -0.86 3.07 -1.08 -1.26 -4.97 116.67 113.28 1l7y s ASP 23 Ca -0.11 1.81 -0.25 0.00 -0.52 0.00 0.00 52.55 53.49 1l7y s ASP 23 Cb -0.01 -2.58 0.03 0.00 -1.46 0.00 0.00 42.92 38.90 1l7y s ASP 23 CO 0.39 -0.20 1.47 -2.16 0.52 0.00 0.00 175.17 175.20 1l7y s PRO 24 N 0.41 3.24 -0.23 4.34 0.04 -1.26 -4.41 135.00 137.12 1l7y s PRO 24 Ca 0.50 -0.53 -0.09 0.00 0.04 0.00 0.00 61.00 60.92 1l7y s PRO 24 Cb -0.24 -4.78 -0.04 0.00 0.04 0.00 0.00 34.50 29.48 1l7y s PRO 24 CO 0.30 -2.35 0.13 0.21 0.04 0.00 0.00 177.00 175.32 1l7y s LYS 25 N 5.68 3.96 0.02 4.56 2.20 -1.26 -5.00 119.74 129.90 1l7y s LYS 25 Ca 0.46 -0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 55.48 1l7y s LYS 25 Cb -0.05 -3.45 -0.16 0.00 -1.51 0.00 0.00 37.83 32.66 1l7y s LYS 25 CO 0.04 0.03 1.25 -0.07 -0.36 0.00 0.00 175.35 176.24 1l7y h LEU 26 N 7.58 -0.48-10.48 5.43 3.38 -2.00 -3.45 115.31 115.30 1l7y h LEU 26 Ca -0.37 -0.11 -0.49 0.00 0.09 0.00 0.00 57.88 57.00 1l7y h LEU 26 Cb 1.17 0.12 0.09 0.00 0.09 0.00 0.00 40.66 42.14 1l7y h LEU 26 CO 0.64 -0.13 0.39 -2.16 0.09 0.00 0.00 178.44 177.26 1l7y s PRO 27 N -4.83 2.45 0.11 1.13 0.04 -1.26 -5.10 135.00 127.54 1l7y s PRO 27 Ca -0.14 0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.36 1l7y s PRO 27 Cb 0.02 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1l7y s PRO 27 CO 0.53 -1.32 -0.03 -0.59 0.04 0.00 0.00 177.00 175.62 1l7y s PHE 28 N -3.33 0.89 -0.24 0.56 -0.12 -1.26 -4.88 117.98 109.60 1l7y s PHE 28 Ca 0.60 -0.99 -0.29 0.00 -0.05 0.00 0.00 56.93 56.20 1l7y s PHE 28 Cb -0.12 -0.53 0.01 0.00 -0.63 0.00 0.00 43.02 41.75 1l7y s PHE 28 CO 0.52 -0.24 1.03 0.21 -0.05 0.00 0.00 175.22 176.70 1l7y s LYS 29 N -3.88 4.23 -0.27 1.99 2.36 0.00 -4.85 119.74 119.31 1l7y s LYS 29 Ca 0.15 1.29 -0.11 0.00 -2.55 0.00 0.00 55.97 54.75 1l7y s LYS 29 Cb 0.06 -3.65 -0.05 0.00 -1.05 0.00 0.00 37.83 33.14 1l7y s LYS 29 CO -0.03 -0.66 0.18 0.08 1.55 0.00 0.00 175.35 176.47 1l7y s VAL 30 N 3.24 5.28 -0.27 4.02 1.01 -1.26 -1.57 120.40 130.85 1l7y s VAL 30 Ca 0.44 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1l7y s VAL 30 Cb -0.15 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1l7y s VAL 30 CO 0.07 0.27 -0.07 -0.76 0.00 0.00 0.00 175.10 174.61 1l7y s LEU 31 N 1.66 3.53 -0.48 3.92 1.43 -0.19 -4.93 118.68 123.63 1l7y s LEU 31 Ca 0.07 -1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 51.79 1l7y s LEU 31 Cb -0.16 -1.61 0.12 0.00 0.03 0.00 0.00 46.19 44.57 1l7y s LEU 31 CO 0.10 -0.20 0.36 -0.44 0.23 0.00 0.00 176.35 176.40 1l7y s SER 32 N 1.18 5.75 0.12 2.29 0.01 -1.26 -0.20 113.70 121.59 1l7y s SER 32 Ca -0.06 -1.88 0.03 0.00 1.31 0.00 0.00 55.95 55.35 1l7y s SER 32 Cb -0.19 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 1l7y s SER 32 CO -0.04 -0.70 -0.08 0.68 0.41 0.00 0.00 173.24 173.51 1l7y s VAL 33 N 1.39 0.89 0.78 3.43 -7.23 -1.01 -4.98 120.40 113.67 1l7y s VAL 33 Ca 0.05 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 1l7y s VAL 33 Cb -0.26 -1.75 0.06 0.00 0.56 0.00 0.00 36.38 34.98 1l7y s VAL 33 CO -0.00 -0.82 1.09 -2.16 -0.31 0.00 0.00 175.10 172.89 1l7y s PRO 34 N -3.80 2.24 0.53 4.82 0.04 -1.26 -0.32 135.00 137.25 1l7y s PRO 34 Ca 0.14 0.79 0.18 0.00 0.04 0.00 0.00 61.00 62.15 1l7y s PRO 34 Cb 0.04 -1.92 1.36 0.00 0.04 0.00 0.00 34.50 34.02 1l7y s PRO 34 CO -0.03 -1.55 2.16 0.93 0.04 0.00 0.00 177.00 178.56 1l7y h GLU 35 N -1.04 0.00 -0.68 4.56 3.07 -1.92 -1.84 114.58 116.72 1l7y h GLU 35 Ca -0.46 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.37 1l7y h GLU 35 Cb 1.25 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 1l7y h GLU 35 CO 0.57 0.00 0.32 0.77 -1.40 0.00 0.00 179.01 179.28 1l7y h SER 36 N 0.00 0.88 -2.62 1.42 0.02 -1.92 -3.23 113.55 108.11 1l7y h SER 36 Ca 0.01 -0.10 -0.53 0.00 -0.84 0.00 0.00 61.79 60.33 1l7y h SER 36 Cb 0.03 -0.23 0.03 0.00 0.14 0.00 0.00 62.40 62.37 1l7y h SER 36 CO -0.00 0.75 1.05 -0.89 -1.14 0.00 0.00 176.83 176.60 1l7y s THR 37 N -5.54 2.78 0.72 -2.27 2.01 -0.69 -4.76 115.64 107.88 1l7y s THR 37 Ca -0.11 0.27 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 1l7y s THR 37 Cb 0.16 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.52 1l7y s THR 37 CO 0.80 -0.00 1.08 -2.16 -0.69 0.00 0.00 174.62 173.66 1l7y s PRO 38 N 2.65 2.76 0.43 4.92 0.04 -1.26 -0.64 135.00 143.89 1l7y s PRO 38 Ca 0.77 0.60 0.30 0.00 0.04 0.00 0.00 61.00 62.71 1l7y s PRO 38 Cb -0.43 -2.00 1.37 0.00 0.04 0.00 0.00 34.50 33.49 1l7y s PRO 38 CO 0.34 -1.14 1.90 0.35 0.04 0.00 0.00 177.00 178.49 1l7y h PHE 39 N -0.73 0.00 -0.37 0.56 3.57 -1.02 -2.67 116.94 116.27 1l7y h PHE 39 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1l7y h PHE 39 Cb 1.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1l7y h PHE 39 CO 0.53 0.00 0.24 1.79 -2.23 0.00 0.00 178.31 178.64 1l7y h THR 40 N 0.00 1.10 -0.07 4.41 1.35 -1.80 0.22 112.91 118.12 1l7y h THR 40 Ca 0.00 -0.20 -0.22 0.00 -0.55 0.00 0.00 66.41 65.44 1l7y h THR 40 Cb 0.28 0.56 0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1l7y h THR 40 CO 0.00 0.10 -0.86 0.00 -0.25 0.00 0.00 175.52 174.51 1l7y h ALA 41 N 1.13 0.37 0.14 6.62 0.00 -1.87 -1.90 119.26 123.75 1l7y h ALA 41 Ca 0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1l7y h ALA 41 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1l7y h ALA 41 CO -0.03 0.74 -0.07 0.28 0.00 0.00 0.00 179.25 180.18 1l7y h VAL 42 N 0.36 0.88 -0.26 0.00 2.07 -1.24 -1.36 116.25 116.70 1l7y h VAL 42 Ca -0.07 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1l7y h VAL 42 Cb 1.48 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1l7y h VAL 42 CO 0.16 0.02 -0.01 0.25 0.02 0.00 0.00 177.57 178.01 1l7y h LEU 43 N -0.21 0.37 0.18 2.57 6.46 -0.63 -1.86 115.31 122.18 1l7y h LEU 43 Ca -0.02 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1l7y h LEU 43 Cb 0.17 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1l7y h LEU 43 CO 0.03 0.44 -0.09 0.50 -0.62 0.00 0.00 178.44 178.70 1l7y h LYS 44 N 0.39 -0.24 -0.63 1.25 1.63 -0.70 0.30 116.57 118.57 1l7y h LYS 44 Ca 0.09 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.82 1l7y h LYS 44 Cb 0.28 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1l7y h LYS 44 CO 0.01 -0.16 0.07 0.74 -3.45 0.00 0.00 179.45 176.65 1l7y h PHE 45 N -0.25 1.14 -0.17 1.91 0.04 -1.04 -0.71 116.94 117.87 1l7y h PHE 45 Ca -0.02 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.57 1l7y h PHE 45 Cb 0.20 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1l7y h PHE 45 CO -0.07 0.98 0.10 0.00 -0.60 0.00 0.00 178.31 178.72 1l7y h ALA 46 N 1.02 0.22 -0.21 2.45 0.00 -1.13 -2.11 119.26 119.49 1l7y h ALA 46 Ca 0.19 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1l7y h ALA 46 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1l7y h ALA 46 CO 0.02 -0.27 -0.20 0.00 0.00 0.00 0.00 179.25 178.80 1l7y h ALA 47 N 1.01 1.27 -0.01 0.00 0.00 -0.82 -1.75 119.26 118.96 1l7y h ALA 47 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1l7y h ALA 47 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1l7y h ALA 47 CO -0.01 0.48 0.01 0.93 0.00 0.00 0.00 179.25 180.66 1l7y h GLU 48 N 0.34 0.02 -0.05 0.00 5.08 -0.65 -0.22 114.58 119.10 1l7y h GLU 48 Ca 0.06 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1l7y h GLU 48 Cb 0.55 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1l7y h GLU 48 CO 0.04 0.02 -0.44 1.49 -1.00 0.00 0.00 179.01 179.12 1l7y h GLU 49 N 0.00 0.11 -0.00 2.33 4.22 -1.27 -2.64 114.58 117.34 1l7y h GLU 49 Ca 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1l7y h GLU 49 Cb 0.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1l7y h GLU 49 CO -0.00 0.53 -0.03 1.19 -2.18 0.00 0.00 179.01 178.52 1l7y n PHE 50 N -4.00 0.00 -2.98 0.92 3.01 -0.67 -4.91 117.46 108.82 1l7y n PHE 50 Ca -0.02 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.27 1l7y n PHE 50 Cb 0.48 -0.20 0.04 0.00 -0.01 0.00 0.00 39.48 39.79 1l7y n PHE 50 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1l7y n LYS 51 N -1.12 -4.40 -4.23 -1.08 5.02 -0.23 -5.02 118.16 107.09 1l7y n LYS 51 Ca 0.16 0.66 -0.16 0.00 -2.02 0.00 0.00 58.31 56.95 1l7y n LYS 51 Cb 0.23 -5.05 -0.11 0.00 -0.02 0.00 0.00 35.03 30.08 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 -3.09 1.21 -0.03 -0.18 -7.23 -0.38 -5.04 120.40 105.66 1l7y s VAL 52 Ca 0.29 -1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 1l7y s VAL 52 Cb -0.13 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1l7y s VAL 52 CO 0.36 -0.56 1.12 -2.16 -0.31 0.00 0.00 175.10 173.55 1l7y s PRO 53 N -3.07 4.42 0.25 4.82 0.04 -1.26 -4.25 135.00 135.95 1l7y s PRO 53 Ca 0.11 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1l7y s PRO 53 Cb -0.02 -3.50 0.31 0.00 0.04 0.00 0.00 34.50 31.34 1l7y s PRO 53 CO 0.02 -0.31 1.67 0.00 0.04 0.00 0.00 177.00 178.42 1l7y h ALA 54 N 7.13 0.99 -0.27 8.56 0.00 -1.88 -2.52 119.26 131.27 1l7y h ALA 54 Ca -0.36 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1l7y h ALA 54 Cb 1.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1l7y h ALA 54 CO 0.84 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 180.66 1l7y h ALA 55 N 1.20 1.46 -0.72 0.00 0.00 -1.97 -2.63 119.26 116.60 1l7y h ALA 55 Ca 0.06 -0.19 -0.44 0.00 0.00 0.00 0.00 54.91 54.35 1l7y h ALA 55 Cb 0.75 -0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.16 1l7y h ALA 55 CO 0.06 0.38 0.19 2.41 0.00 0.00 0.00 179.25 182.29 1l7y n THR 56 N -4.30 2.96 -3.78 0.00 -1.04 -1.07 -4.97 114.28 102.08 1l7y n THR 56 Ca 0.01 -2.86 -0.13 0.00 -2.04 0.00 0.00 64.05 59.03 1l7y n THR 56 Cb 0.24 -0.69 -0.09 0.00 -1.82 0.00 0.00 70.33 67.97 1l7y n THR 56 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1l7y s SER 57 N -2.27 -0.15 0.27 8.00 0.01 -0.97 -3.63 113.70 114.95 1l7y s SER 57 Ca 0.53 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.80 1l7y s SER 57 Cb 0.45 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.93 1l7y s SER 57 CO 0.03 -0.47 0.08 0.00 0.41 0.00 0.00 173.24 173.29 1l7y s ALA 58 N -1.56 1.84 -0.14 1.44 0.00 -0.04 -4.67 121.76 118.62 1l7y s ALA 58 Ca -0.12 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 49.96 1l7y s ALA 58 Cb -0.05 0.94 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1l7y s ALA 58 CO 0.03 -0.42 -0.17 0.42 0.00 0.00 0.00 175.76 175.62 1l7y s ILE 59 N -3.65 1.72 0.51 0.00 1.01 -0.98 -0.66 121.20 119.14 1l7y s ILE 59 Ca 0.37 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 60.34 1l7y s ILE 59 Cb 0.08 -1.57 0.05 0.00 0.01 0.00 0.00 42.46 41.02 1l7y s ILE 59 CO 0.14 0.48 0.70 0.27 0.00 0.00 0.00 174.94 176.53 1l7y s ILE 60 N 1.22 2.62 0.47 2.92 -4.36 -0.02 0.57 121.20 124.63 1l7y s ILE 60 Ca 0.00 -0.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.50 1l7y s ILE 60 Cb -0.14 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 1l7y s ILE 60 CO -0.07 0.00 0.07 0.28 0.24 0.00 0.00 174.94 175.45 1l7y s THR 61 N -2.56 1.63 0.34 8.37 -1.32 -0.59 -0.03 115.64 121.49 1l7y s THR 61 Ca 0.58 -1.91 0.34 0.00 -1.21 0.00 0.00 61.69 59.50 1l7y s THR 61 Cb -0.08 -2.54 0.37 0.00 -1.51 0.00 0.00 72.50 68.74 1l7y s THR 61 CO 0.36 0.00 2.10 -1.13 -2.21 0.00 0.00 174.62 173.74 1l7y h ASN 62 N 1.43 0.00 1.68 8.08 -0.73 -1.92 -2.41 115.58 121.71 1l7y h ASN 62 Ca -0.43 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 57.69 1l7y h ASN 62 Cb 1.28 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.86 1l7y h ASN 62 CO 0.74 0.05 -0.23 0.44 -0.37 0.00 0.00 177.43 178.07 1l7y h ASP 63 N 0.00 0.00 0.00 1.15 3.32 -1.95 -3.47 116.42 115.47 1l7y h ASP 63 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1l7y h ASP 63 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1l7y h ASP 63 CO 0.01 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 178.36 1l7y n GLY 64 N 1.05 0.78 3.06 2.75 0.00 -0.91 -5.12 105.19 106.80 1l7y n GLY 64 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.31 1.40 -1.08 1.61 1.01 -1.26 -4.92 120.40 115.84 1l7y s VAL 65 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1l7y s VAL 65 Cb 0.00 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.17 1l7y s VAL 65 CO 0.00 0.42 1.52 -0.83 0.00 0.00 0.00 175.10 176.20 1l7y s GLY 66 N 0.75 1.33 0.15 4.51 0.00 -1.26 -1.54 107.32 111.26 1l7y s GLY 66 Ca -0.12 -2.39 -0.31 0.00 0.00 0.00 0.00 44.72 41.90 1l7y s GLY 66 CO 0.03 2.71 1.45 0.14 0.00 0.00 0.00 173.10 177.42 1l7y s VAL 67 N 4.90 2.99 0.32 1.40 1.01 0.19 -4.88 120.40 126.33 1l7y s VAL 67 Ca 0.48 0.73 0.08 0.00 0.00 0.00 0.00 61.98 63.27 1l7y s VAL 67 Cb 0.01 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1l7y s VAL 67 CO -0.06 0.07 0.22 0.54 0.00 0.00 0.00 175.10 175.86 1l7y s ASN 68 N 0.96 5.12 -1.34 3.32 2.20 -1.26 -2.32 114.94 121.62 1l7y s ASN 68 Ca 0.65 -0.53 -0.14 0.00 -0.94 0.00 0.00 52.86 51.90 1l7y s ASN 68 Cb -0.40 -0.98 -0.03 0.00 -2.00 0.00 0.00 41.25 37.85 1l7y s ASN 68 CO 0.33 -0.26 2.32 -0.81 -2.94 0.00 0.00 177.10 175.74 1l7y n PRO 69 N -1.25 2.74 0.00 3.55 -0.04 -1.26 -4.05 135.00 134.69 1l7y n PRO 69 Ca -0.04 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1l7y n PRO 69 Cb 0.60 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 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 5.70 2.34 -1.59 0.55 0.00 -1.26 -4.16 120.51 122.09 1l7y n ALA 70 Ca 0.57 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.69 1l7y n ALA 70 Cb 0.34 0.09 0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.45 3.01 0.60 0.00 -0.21 -1.26 -4.70 119.66 115.64 1l7y s GLN 71 Ca 0.00 0.99 -0.14 0.00 0.02 0.00 0.00 55.36 56.23 1l7y s GLN 71 Cb 0.00 -2.00 -0.04 0.00 1.00 0.00 0.00 33.01 31.97 1l7y s GLN 71 CO 0.00 -1.05 1.03 -1.25 -2.12 0.00 0.00 175.29 171.91 1l7y s PRO 72 N -4.91 3.47 0.32 2.91 0.04 -1.26 -0.45 135.00 135.12 1l7y s PRO 72 Ca 0.59 1.00 0.04 0.00 0.04 0.00 0.00 61.00 62.66 1l7y s PRO 72 Cb -0.14 -2.06 0.65 0.00 0.04 0.00 0.00 34.50 32.99 1l7y s PRO 72 CO 0.52 -0.67 1.88 0.00 0.04 0.00 0.00 177.00 178.77 1l7y h ALA 73 N 0.19 1.64 -0.33 8.56 0.00 -0.90 -0.51 119.26 127.90 1l7y h ALA 73 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1l7y h ALA 73 Cb 1.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1l7y h ALA 73 CO 0.59 0.15 0.20 0.78 0.00 0.00 0.00 179.25 180.97 1l7y h GLY 74 N 0.88 0.48 1.23 0.00 0.00 -1.80 -1.18 103.07 102.69 1l7y h GLY 74 Ca 0.44 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.44 1l7y h GLY 74 CO -0.20 0.19 -0.26 -0.57 0.00 0.00 0.00 176.54 175.70 1l7y h ASN 75 N 0.42 0.89 -0.43 0.19 -0.73 -1.68 -0.71 115.58 113.54 1l7y h ASN 75 Ca 0.12 -0.35 -0.01 0.00 1.87 0.00 0.00 56.30 57.93 1l7y h ASN 75 Cb 0.01 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 1l7y h ASN 75 CO -0.02 1.10 0.24 0.40 -0.37 0.00 0.00 177.43 178.78 1l7y h ILE 76 N 0.74 1.15 -0.20 2.57 1.08 -0.85 -0.29 117.51 121.72 1l7y h ILE 76 Ca 0.09 -0.39 -0.17 0.00 -0.39 0.00 0.00 64.86 64.00 1l7y h ILE 76 Cb 0.81 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.19 1l7y h ILE 76 CO 0.07 0.16 -0.58 0.15 -0.69 0.00 0.00 178.15 177.26 1l7y h PHE 77 N 0.56 0.80 -0.68 1.37 3.04 -1.15 0.29 116.94 121.17 1l7y h PHE 77 Ca 0.15 -0.30 -0.08 0.00 3.98 0.00 0.00 57.97 61.73 1l7y h PHE 77 Cb 0.04 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 1l7y h PHE 77 CO -0.02 1.06 0.13 -0.07 -2.02 0.00 0.00 178.31 177.39 1l7y h LEU 78 N 0.48 1.06 0.00 0.59 -0.00 -0.85 -2.09 115.31 114.50 1l7y h LEU 78 Ca 0.00 -0.25 -0.05 0.00 -0.00 0.00 0.00 57.88 57.58 1l7y h LEU 78 Cb 1.15 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.52 1l7y h LEU 78 CO 0.11 1.04 -0.37 0.50 -0.00 0.00 0.00 178.44 179.73 1l7y h LYS 79 N 1.04 0.00 0.00 1.13 3.64 -1.04 -3.44 116.57 117.90 1l7y h LYS 79 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1l7y h LYS 79 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1l7y h LYS 79 CO 0.01 0.48 -0.72 0.72 -2.27 0.00 0.00 179.45 177.67 1l7y n HIS 80 N -4.63 0.20 0.00 1.91 8.25 0.00 -5.10 115.22 115.86 1l7y n HIS 80 Ca -0.11 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1l7y n HIS 80 Cb 0.33 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.95 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 1.51 0.13 0.09 -1.41 0.00 -0.67 -4.75 105.19 100.09 1l7y n GLY 81 Ca -0.10 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 1.95 -4.57 1.61 2.88 -1.26 -4.25 113.62 109.98 1l7y n SER 82 Ca 0.00 -0.07 -0.40 0.00 -1.33 0.00 0.00 58.87 57.07 1l7y n SER 82 Cb 0.00 0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1l7y n SER 82 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1l7y n GLU 83 N -2.89 1.52 -4.15 -1.46 0.00 -1.26 -0.42 120.64 111.97 1l7y n GLU 83 Ca -0.32 0.29 -0.11 0.00 0.00 0.00 0.00 57.16 57.03 1l7y n GLU 83 Cb 0.93 -3.28 -0.10 0.00 0.00 0.00 0.00 31.44 28.99 1l7y n GLU 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1l7y s LEU 84 N 9.95 1.37 0.06 4.31 1.43 0.37 -3.62 118.68 132.54 1l7y s LEU 84 Ca 1.01 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1l7y s LEU 84 Cb -0.30 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.35 1l7y s LEU 84 CO 0.32 -0.81 -0.04 -0.13 0.23 0.00 0.00 176.35 175.92 1l7y s ARG 85 N -4.09 0.65 -0.18 1.70 0.52 0.96 -2.63 118.95 115.88 1l7y s ARG 85 Ca 0.30 -1.19 -0.05 0.00 -0.52 0.00 0.00 55.73 54.27 1l7y s ARG 85 Cb 0.07 0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.57 1l7y s ARG 85 CO 0.07 -0.07 0.00 -1.17 0.02 0.00 0.00 175.30 174.14 1l7y s LEU 86 N -2.80 3.40 0.14 2.53 0.20 0.27 -0.84 118.68 121.59 1l7y s LEU 86 Ca 0.06 -0.10 0.07 0.00 0.69 0.00 0.00 54.13 54.85 1l7y s LEU 86 Cb 0.05 -1.84 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1l7y s LEU 86 CO -0.07 0.14 -0.15 0.27 -0.29 0.00 0.00 176.35 176.24 1l7y s ILE 87 N 0.57 1.52 -0.86 6.68 -4.36 0.17 -2.97 121.20 121.95 1l7y s ILE 87 Ca -0.01 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 58.47 1l7y s ILE 87 Cb -0.14 -1.69 -0.16 0.00 1.25 0.00 0.00 42.46 41.72 1l7y s ILE 87 CO 0.02 -0.41 3.13 -0.81 0.24 0.00 0.00 174.94 177.11 1l7y n PRO 88 N 0.36 2.80 -1.08 0.37 -0.04 -1.26 -0.86 135.00 135.29 1l7y n PRO 88 Ca -0.14 -1.60 0.14 0.00 -0.04 0.00 0.00 63.50 61.86 1l7y n PRO 88 Cb 0.57 -2.41 -0.06 0.00 -0.04 0.00 0.00 33.50 31.57 1l7y n PRO 88 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1l7y n ARG 89 N 3.16 -2.37 -0.83 0.54 3.00 -1.24 -4.80 116.66 114.12 1l7y n ARG 89 Ca 0.60 1.82 0.03 0.00 -0.00 0.00 0.00 57.85 60.29 1l7y n ARG 89 Cb 0.51 -2.82 -0.02 0.00 0.00 0.00 0.00 32.46 30.13 1l7y n ARG 89 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1l7y n ASP 90 N -3.83 -4.48 -4.56 6.15 2.03 -1.26 -4.66 116.55 105.94 1l7y n ASP 90 Ca -0.04 0.95 -0.41 0.00 0.52 0.00 0.00 54.79 55.82 1l7y n ASP 90 Cb 0.50 -2.41 -0.03 0.00 -0.72 0.00 0.00 41.12 38.47 1l7y n ASP 90 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1l7y s ARG 91 N -4.47 3.13 -0.00 -0.67 6.06 -1.26 -4.97 118.95 116.78 1l7y s ARG 91 Ca 0.00 0.05 0.01 0.00 -2.50 0.00 0.00 55.73 53.28 1l7y s ARG 91 Cb 0.00 -4.20 -0.00 0.00 0.06 0.00 0.00 34.95 30.81 1l7y s ARG 91 CO 0.00 -2.19 -0.02 0.14 -2.50 0.00 0.00 175.30 170.73 1l7y s VAL 92 N 6.31 0.18 0.00 7.11 -7.23 -1.26 -5.09 120.40 120.42 1l7y s VAL 92 Ca 0.44 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 1l7y s VAL 92 Cb -0.09 -0.16 0.00 0.00 0.56 0.00 0.00 36.38 36.69 1l7y s VAL 92 CO 0.18 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 1l7y n GLY 93 N 2.98 -0.57 0.58 2.32 0.00 -1.26 -4.99 105.19 104.26 1l7y n GLY 93 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89