#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7y s SER 2 N 0.00 5.42 0.00 7.83 0.15 -1.26 -4.56 113.70 121.28 1l7y s SER 2 Ca 0.00 -1.90 0.00 0.00 0.70 0.00 0.00 55.95 54.75 1l7y s SER 2 Cb 0.00 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1l7y s SER 2 CO 0.00 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1l7y n GLY 3 N 4.73 2.35 0.00 9.45 0.00 -1.26 -4.95 105.19 115.50 1l7y n GLY 3 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -1.75 3.88 -0.02 0.00 -1.26 -4.87 105.19 101.17 1l7y n GLY 4 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1l7y n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l7y s THR 5 N 0.00 5.10 -0.33 2.61 2.01 -1.26 -5.00 115.64 118.76 1l7y s THR 5 Ca 0.00 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.41 1l7y s THR 5 Cb 0.00 -3.64 0.45 0.00 0.01 0.00 0.00 72.50 69.32 1l7y s THR 5 CO 0.00 0.18 1.15 0.00 -0.69 0.00 0.00 174.62 175.27 1l7y n ALA 6 N 0.58 4.85 -2.33 7.40 0.00 -1.26 -4.35 120.51 125.40 1l7y n ALA 6 Ca -0.06 -3.87 -0.35 0.00 0.00 0.00 0.00 53.44 49.16 1l7y n ALA 6 Cb 0.52 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 1l7y n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l7y s ALA 7 N -3.58 2.38 0.09 0.00 0.00 -1.26 -4.76 121.76 114.63 1l7y s ALA 7 Ca 0.48 -2.19 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 1l7y s ALA 7 Cb 0.40 -4.60 -0.11 0.00 0.00 0.00 0.00 23.12 18.82 1l7y s ALA 7 CO -0.03 -4.20 1.38 1.15 0.00 0.00 0.00 175.76 174.06 1l7y h THR 8 N 6.50 1.31 -6.59 0.00 2.02 -1.94 -3.24 112.91 110.98 1l7y h THR 8 Ca 0.23 -1.50 -0.45 0.00 0.77 0.00 0.00 66.41 65.47 1l7y h THR 8 Cb 0.96 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1l7y h THR 8 CO 1.34 0.47 -0.96 0.41 0.37 0.00 0.00 175.52 177.15 1l7y n THR 9 N -4.28 -4.17 0.04 3.16 -1.04 -1.26 -2.82 114.28 103.91 1l7y n THR 9 Ca -0.05 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.05 61.70 1l7y n THR 9 Cb 0.48 -3.38 -0.13 0.00 -1.82 0.00 0.00 70.33 65.48 1l7y n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1l7y h ALA 10 N 1.22 0.44 0.12 2.41 0.00 -1.98 -3.34 119.26 118.12 1l7y h ALA 10 Ca -0.58 -1.11 -0.01 0.00 0.00 0.00 0.00 54.91 53.22 1l7y h ALA 10 Cb 1.36 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1l7y h ALA 10 CO 0.39 1.30 -0.06 0.78 0.00 0.00 0.00 179.25 181.66 1l7y h GLY 11 N 2.75 -0.16 -3.79 0.00 0.00 -2.04 -3.43 103.07 96.39 1l7y h GLY 11 Ca -0.15 0.06 -0.50 0.00 0.00 0.00 0.00 47.33 46.74 1l7y h GLY 11 CO 0.13 -0.06 0.28 -1.35 0.00 0.00 0.00 176.54 175.54 1l7y s SER 12 N -2.54 7.51 0.15 0.19 1.04 -1.26 -5.07 113.70 113.71 1l7y s SER 12 Ca -0.02 1.81 0.05 0.00 0.48 0.00 0.00 55.95 58.27 1l7y s SER 12 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 1l7y s SER 12 CO 0.07 0.15 -0.11 -0.54 0.98 0.00 0.00 173.24 173.79 1l7y s LYS 13 N -1.30 1.07 -0.11 4.02 1.02 -1.26 -4.28 119.74 118.90 1l7y s LYS 13 Ca 0.40 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1l7y s LYS 13 Cb -0.24 -0.67 -0.02 0.00 -0.52 0.00 0.00 37.83 36.39 1l7y s LYS 13 CO 0.29 0.09 -0.12 0.14 -0.92 0.00 0.00 175.35 174.82 1l7y s VAL 14 N -3.21 3.18 -0.03 3.17 -7.23 0.47 -4.94 120.40 111.81 1l7y s VAL 14 Ca 0.16 -0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.67 1l7y s VAL 14 Cb 0.02 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 1l7y s VAL 14 CO 0.01 0.54 0.16 -0.89 -0.31 0.00 0.00 175.10 174.61 1l7y s THR 15 N 0.07 5.36 -0.01 5.32 2.01 -1.26 -2.39 115.64 124.73 1l7y s THR 15 Ca -0.05 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.90 1l7y s THR 15 Cb -0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 1l7y s THR 15 CO 0.04 0.40 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.84 1l7y s PHE 16 N -1.24 1.50 -0.30 4.92 0.08 -0.21 -4.29 117.98 118.43 1l7y s PHE 16 Ca 0.24 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1l7y s PHE 16 Cb -0.12 -0.97 0.07 0.00 -0.57 0.00 0.00 43.02 41.43 1l7y s PHE 16 CO 0.15 -0.03 -0.01 0.21 -0.10 0.00 0.00 175.22 175.44 1l7y s LYS 17 N -0.37 2.16 -0.18 0.44 2.20 0.20 -0.71 119.74 123.47 1l7y s LYS 17 Ca 0.06 -1.46 -0.03 0.00 -0.36 0.00 0.00 55.97 54.19 1l7y s LYS 17 Cb -0.07 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1l7y s LYS 17 CO -0.01 -0.70 -0.07 0.42 -0.36 0.00 0.00 175.35 174.63 1l7y s ILE 18 N 1.13 3.41 -0.10 5.43 1.09 -0.59 -1.00 121.20 130.57 1l7y s ILE 18 Ca -0.02 -0.51 0.01 0.00 -1.10 0.00 0.00 60.65 59.03 1l7y s ILE 18 Cb -0.20 -2.50 -0.02 0.00 -1.06 0.00 0.00 42.46 38.68 1l7y s ILE 18 CO -0.04 0.47 -0.12 -0.89 -0.10 0.00 0.00 174.94 174.26 1l7y s THR 19 N 0.84 3.17 0.10 2.92 2.01 -1.08 -0.34 115.64 123.27 1l7y s THR 19 Ca -0.02 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 1l7y s THR 19 Cb -0.15 -2.30 -0.08 0.00 0.01 0.00 0.00 72.50 69.98 1l7y s THR 19 CO 0.01 0.55 1.47 -0.22 -0.69 0.00 0.00 174.62 175.74 1l7y s LEU 20 N -0.12 4.36 -0.04 4.42 0.20 -1.26 -0.82 118.68 125.41 1l7y s LEU 20 Ca -0.01 2.38 -0.10 0.00 0.69 0.00 0.00 54.13 57.10 1l7y s LEU 20 Cb -0.14 -3.58 -0.30 0.00 -0.43 0.00 0.00 46.19 41.74 1l7y s LEU 20 CO 0.03 -0.74 0.70 0.71 -0.29 0.00 0.00 176.35 176.77 1l7y h THR 21 N 4.39 0.97 -0.15 3.68 1.35 -1.66 -3.35 112.91 118.14 1l7y h THR 21 Ca -0.42 -2.56 -0.16 0.00 -0.55 0.00 0.00 66.41 62.72 1l7y h THR 21 Cb 1.20 2.76 -0.01 0.00 -1.73 0.00 0.00 68.15 70.38 1l7y h THR 21 CO 0.89 0.85 -0.59 0.28 -0.25 0.00 0.00 175.52 176.70 1l7y h SER 22 N 0.10 0.56 -3.63 5.36 0.02 -1.92 -3.41 113.55 110.64 1l7y h SER 22 Ca -0.33 -0.31 -0.67 0.00 -0.84 0.00 0.00 61.79 59.64 1l7y h SER 22 Cb 2.09 -0.16 -0.24 0.00 0.14 0.00 0.00 62.40 64.23 1l7y h SER 22 CO 0.18 1.02 -0.59 -0.62 -1.14 0.00 0.00 176.83 175.67 1l7y s ASP 23 N -6.93 5.32 0.11 3.07 -1.08 -1.26 -4.96 116.67 110.94 1l7y s ASP 23 Ca -0.07 -0.58 -0.04 0.00 -0.52 0.00 0.00 52.55 51.34 1l7y s ASP 23 Cb 0.11 -1.94 -0.18 0.00 -1.46 0.00 0.00 42.92 39.46 1l7y s ASP 23 CO 0.84 -0.18 1.23 1.55 0.52 0.00 0.00 175.17 179.13 1l7y h PRO 24 N 8.29 0.34 -0.02 4.34 0.13 -1.81 -3.33 132.00 139.94 1l7y h PRO 24 Ca -0.32 -0.45 -0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1l7y h PRO 24 Cb 1.14 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1l7y h PRO 24 CO 0.61 1.15 0.01 0.87 -0.23 0.00 0.00 178.00 180.41 1l7y h LYS 25 N 0.15 0.04 -6.23 0.86 1.57 -1.93 -3.42 116.57 107.61 1l7y h LYS 25 Ca -0.10 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 58.06 1l7y h LYS 25 Cb 1.76 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 34.07 1l7y h LYS 25 CO 0.18 0.21 1.18 1.28 -0.57 0.00 0.00 179.45 181.73 1l7y n LEU 26 N -4.98 3.39 -4.82 2.94 7.99 -1.25 -4.95 117.00 115.31 1l7y n LEU 26 Ca -0.07 0.84 -0.30 0.00 -0.01 0.00 0.00 56.01 56.47 1l7y n LEU 26 Cb 0.11 -1.39 0.09 0.00 -0.11 0.00 0.00 43.42 42.12 1l7y n LEU 26 CO 0.33 -0.15 0.73 -2.16 -1.51 0.00 0.00 177.39 174.64 1l7y s PRO 27 N 4.55 1.98 0.76 3.23 0.04 -1.26 -4.39 135.00 139.91 1l7y s PRO 27 Ca 0.95 0.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.31 1l7y s PRO 27 Cb -0.65 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.03 1l7y s PRO 27 CO 0.49 -1.65 1.18 -0.59 0.04 0.00 0.00 177.00 176.47 1l7y s PHE 28 N -3.27 2.04 -0.08 0.56 -0.12 -1.26 -4.60 117.98 111.24 1l7y s PHE 28 Ca 0.61 1.63 0.04 0.00 -0.05 0.00 0.00 56.93 59.16 1l7y s PHE 28 Cb -0.13 -3.41 -0.01 0.00 -0.63 0.00 0.00 43.02 38.84 1l7y s PHE 28 CO 0.53 -2.55 -0.23 0.15 -0.05 0.00 0.00 175.22 173.07 1l7y s LYS 29 N -4.10 2.87 -0.25 1.99 3.01 0.54 -4.93 119.74 118.86 1l7y s LYS 29 Ca 0.72 -0.86 -0.10 0.00 -1.01 0.00 0.00 55.97 54.71 1l7y s LYS 29 Cb -0.27 -2.28 -0.05 0.00 -1.01 0.00 0.00 37.83 34.22 1l7y s LYS 29 CO 0.48 0.28 0.15 0.08 0.51 0.00 0.00 175.35 176.85 1l7y s VAL 30 N 0.10 5.17 -0.25 3.17 1.01 -1.26 -1.53 120.40 126.81 1l7y s VAL 30 Ca -0.11 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1l7y s VAL 30 Cb -0.16 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.84 1l7y s VAL 30 CO 0.06 0.32 -0.10 -0.76 0.00 0.00 0.00 175.10 174.62 1l7y s LEU 31 N 1.32 3.20 -0.44 3.92 1.43 0.11 -4.94 118.68 123.29 1l7y s LEU 31 Ca 0.07 -1.11 -0.15 0.00 -1.03 0.00 0.00 54.13 51.91 1l7y s LEU 31 Cb -0.14 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1l7y s LEU 31 CO 0.06 -0.15 0.33 -0.94 0.23 0.00 0.00 176.35 175.89 1l7y s SER 32 N 1.21 6.07 0.08 2.29 1.04 -1.26 -1.04 113.70 122.09 1l7y s SER 32 Ca -0.04 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.27 1l7y s SER 32 Cb -0.18 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 1l7y s SER 32 CO -0.06 -0.54 -0.05 0.68 0.98 0.00 0.00 173.24 174.25 1l7y s VAL 33 N 1.64 0.53 0.65 5.02 -7.23 -1.01 -4.99 120.40 115.01 1l7y s VAL 33 Ca 0.04 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.24 1l7y s VAL 33 Cb -0.22 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1l7y s VAL 33 CO 0.08 -0.89 1.05 -2.16 -0.31 0.00 0.00 175.10 172.86 1l7y s PRO 34 N -3.75 3.19 0.65 4.82 0.04 -1.26 -0.40 135.00 138.29 1l7y s PRO 34 Ca 0.09 0.95 0.42 0.00 0.04 0.00 0.00 61.00 62.51 1l7y s PRO 34 Cb 0.05 -2.02 2.29 0.00 0.04 0.00 0.00 34.50 34.86 1l7y s PRO 34 CO -0.06 -0.90 2.33 0.93 0.04 0.00 0.00 177.00 179.34 1l7y h GLU 35 N -0.36 0.00 -0.74 4.56 3.07 -1.74 -2.25 114.58 117.12 1l7y h GLU 35 Ca -0.44 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.37 1l7y h GLU 35 Cb 1.21 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 1l7y h GLU 35 CO 0.58 0.00 0.30 0.66 -1.40 0.00 0.00 179.01 179.15 1l7y h SER 36 N 0.00 1.01 -3.04 1.42 4.64 -1.55 -3.31 113.55 112.73 1l7y h SER 36 Ca -0.00 -0.15 -0.53 0.00 -0.47 0.00 0.00 61.79 60.64 1l7y h SER 36 Cb 0.05 -0.26 0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1l7y h SER 36 CO 0.00 0.90 0.70 0.42 -0.87 0.00 0.00 176.83 177.98 1l7y s THR 37 N -5.50 3.39 0.78 2.95 -4.23 -0.85 -4.83 115.64 107.35 1l7y s THR 37 Ca -0.12 1.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.28 1l7y s THR 37 Cb 0.16 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.42 1l7y s THR 37 CO 0.83 0.08 1.12 -2.16 -0.54 0.00 0.00 174.62 173.95 1l7y s PRO 38 N 1.06 2.22 0.43 3.99 0.04 -1.26 -1.33 135.00 140.14 1l7y s PRO 38 Ca 0.64 0.42 0.30 0.00 0.04 0.00 0.00 61.00 62.39 1l7y s PRO 38 Cb -0.36 -1.95 1.42 0.00 0.04 0.00 0.00 34.50 33.65 1l7y s PRO 38 CO 0.30 -1.48 1.90 0.35 0.04 0.00 0.00 177.00 178.12 1l7y h PHE 39 N -0.98 0.00 -0.44 0.56 3.57 -1.00 -2.53 116.94 116.13 1l7y h PHE 39 Ca -0.46 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.02 1l7y h PHE 39 Cb 1.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1l7y h PHE 39 CO 0.42 0.00 0.22 1.79 -2.23 0.00 0.00 178.31 178.52 1l7y h THR 40 N 0.00 1.17 -0.08 4.41 1.35 -1.80 0.21 112.91 118.17 1l7y h THR 40 Ca 0.00 -0.47 -0.22 0.00 -0.55 0.00 0.00 66.41 65.17 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 0.18 -0.86 0.00 -0.25 0.00 0.00 175.52 174.60 1l7y h ALA 41 N 1.07 0.35 -0.05 6.62 0.00 -1.84 -2.11 119.26 123.30 1l7y h ALA 41 Ca 0.15 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1l7y h ALA 41 Cb 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1l7y h ALA 41 CO -0.02 0.73 0.02 0.28 0.00 0.00 0.00 179.25 180.26 1l7y h VAL 42 N 0.40 1.09 -0.63 0.00 2.07 -1.25 -0.97 116.25 116.96 1l7y h VAL 42 Ca -0.07 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1l7y h VAL 42 Cb 1.48 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 1l7y h VAL 42 CO 0.16 0.08 0.24 0.25 0.02 0.00 0.00 177.57 178.33 1l7y h LEU 43 N -0.03 0.85 0.08 2.57 6.46 -0.65 -1.68 115.31 122.92 1l7y h LEU 43 Ca 0.02 -0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1l7y h LEU 43 Cb 0.10 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1l7y h LEU 43 CO -0.00 0.77 -0.04 0.50 -0.62 0.00 0.00 178.44 179.04 1l7y h LYS 44 N 0.91 -0.11 -0.69 1.25 1.63 -1.02 0.38 116.57 118.92 1l7y h LYS 44 Ca 0.21 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.01 1l7y h LYS 44 Cb 0.19 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1l7y h LYS 44 CO -0.02 0.02 0.38 0.35 -3.45 0.00 0.00 179.45 176.73 1l7y h PHE 45 N -0.21 0.95 -0.36 1.91 3.57 -1.00 0.10 116.94 121.91 1l7y h PHE 45 Ca -0.01 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1l7y h PHE 45 Cb 0.17 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1l7y h PHE 45 CO -0.04 0.68 0.09 0.00 -2.23 0.00 0.00 178.31 176.80 1l7y h ALA 46 N 1.19 0.47 -0.40 2.41 0.00 -1.15 -1.23 119.26 120.54 1l7y h ALA 46 Ca 0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1l7y h ALA 46 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1l7y h ALA 46 CO -0.04 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1l7y h ALA 47 N 0.93 0.55 -0.68 0.00 0.00 -0.67 -0.29 119.26 119.10 1l7y h ALA 47 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1l7y h ALA 47 Cb 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1l7y h ALA 47 CO 0.00 0.33 0.45 0.93 0.00 0.00 0.00 179.25 180.96 1l7y h GLU 48 N 0.54 0.90 -0.24 0.00 3.07 -0.68 0.30 114.58 118.47 1l7y h GLU 48 Ca 0.11 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 1l7y h GLU 48 Cb 0.48 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1l7y h GLU 48 CO 0.02 0.59 -0.36 0.93 -1.40 0.00 0.00 179.01 178.79 1l7y h GLU 49 N 0.92 0.52 0.00 2.33 5.08 -1.07 -2.47 114.58 119.89 1l7y h GLU 49 Ca 0.25 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1l7y h GLU 49 Cb -0.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1l7y h GLU 49 CO -0.05 0.81 0.00 1.19 -1.00 0.00 0.00 179.01 179.95 1l7y n PHE 50 N -4.05 0.00 -3.11 4.33 3.72 -0.13 -4.89 117.46 113.33 1l7y n PHE 50 Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 1l7y n PHE 50 Cb 0.48 -0.09 0.04 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.09 -4.62 -4.15 -1.08 5.02 -0.36 -5.03 118.16 106.84 1l7y n LYS 51 Ca 0.19 0.52 -0.11 0.00 -2.02 0.00 0.00 58.31 56.89 1l7y n LYS 51 Cb 0.14 -4.59 -0.10 0.00 -0.02 0.00 0.00 35.03 30.45 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 -3.16 0.68 -0.08 -0.18 -7.23 -0.05 -5.03 120.40 105.36 1l7y s VAL 52 Ca 0.34 -1.77 -0.30 0.00 -1.81 0.00 0.00 61.98 58.44 1l7y s VAL 52 Cb -0.15 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 1l7y s VAL 52 CO 0.41 -0.77 1.18 -2.16 -0.31 0.00 0.00 175.10 173.45 1l7y s PRO 53 N -3.38 4.34 0.32 4.82 0.04 -1.26 -3.84 135.00 136.04 1l7y s PRO 53 Ca 0.08 1.63 0.17 0.00 0.04 0.00 0.00 61.00 62.91 1l7y s PRO 53 Cb 0.02 -3.58 0.34 0.00 0.04 0.00 0.00 34.50 31.32 1l7y s PRO 53 CO -0.04 -0.47 1.57 0.00 0.04 0.00 0.00 177.00 178.11 1l7y h ALA 54 N 7.51 0.80 -0.92 8.56 0.00 -1.89 -3.20 119.26 130.12 1l7y h ALA 54 Ca -0.32 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1l7y h ALA 54 Cb 1.15 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1l7y h ALA 54 CO 0.89 0.56 0.57 0.00 0.00 0.00 0.00 179.25 181.28 1l7y h ALA 55 N 1.55 1.17 -0.83 0.00 0.00 -1.97 -2.88 119.26 116.30 1l7y h ALA 55 Ca -0.00 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 54.23 1l7y h ALA 55 Cb 1.17 -0.37 -0.36 0.00 0.00 0.00 0.00 17.79 18.24 1l7y h ALA 55 CO 0.06 0.60 -0.09 -2.37 0.00 0.00 0.00 179.25 177.45 1l7y n THR 56 N -4.40 2.98 -4.25 0.00 5.66 -1.23 -5.00 114.28 108.04 1l7y n THR 56 Ca 0.10 -3.61 -0.14 0.00 -3.05 0.00 0.00 64.05 57.35 1l7y n THR 56 Cb 0.04 -1.10 -0.10 0.00 -1.55 0.00 0.00 70.33 67.62 1l7y n THR 56 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1l7y s SER 57 N -2.82 1.67 0.12 1.09 0.15 -1.09 -2.21 113.70 110.61 1l7y s SER 57 Ca 0.56 -1.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.15 1l7y s SER 57 Cb 0.45 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 1l7y s SER 57 CO 0.02 -0.39 0.05 0.00 1.20 0.00 0.00 173.24 174.12 1l7y s ALA 58 N -3.40 0.77 -0.12 5.45 0.00 -0.60 -4.85 121.76 119.01 1l7y s ALA 58 Ca 0.18 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1l7y s ALA 58 Cb 0.04 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1l7y s ALA 58 CO 0.01 -0.48 -0.12 0.42 0.00 0.00 0.00 175.76 175.59 1l7y s ILE 59 N -4.03 1.34 0.45 0.00 1.01 -1.01 -1.01 121.20 117.96 1l7y s ILE 59 Ca 0.21 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.41 1l7y s ILE 59 Cb 0.07 -1.27 0.02 0.00 0.01 0.00 0.00 42.46 41.29 1l7y s ILE 59 CO -0.00 0.42 0.62 0.27 0.00 0.00 0.00 174.94 176.24 1l7y s ILE 60 N 1.28 2.89 0.44 2.92 -4.36 0.03 0.69 121.20 125.09 1l7y s ILE 60 Ca -0.01 -0.94 0.07 0.00 -0.26 0.00 0.00 60.65 59.50 1l7y s ILE 60 Cb -0.14 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.58 1l7y s ILE 60 CO -0.05 0.00 0.20 0.28 0.24 0.00 0.00 174.94 175.61 1l7y s THR 61 N -2.44 2.16 0.32 8.37 -1.32 -0.47 0.08 115.64 122.33 1l7y s THR 61 Ca 0.56 -1.68 0.38 0.00 -1.21 0.00 0.00 61.69 59.74 1l7y s THR 61 Cb -0.10 -2.83 0.40 0.00 -1.51 0.00 0.00 72.50 68.46 1l7y s THR 61 CO 0.34 0.00 2.14 -0.55 -2.21 0.00 0.00 174.62 174.34 1l7y h ASN 62 N 1.32 0.00 1.47 8.08 -1.07 -1.88 -2.25 115.58 121.25 1l7y h ASN 62 Ca -0.42 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.85 1l7y h ASN 62 Cb 1.26 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.50 1l7y h ASN 62 CO 0.68 0.00 -0.49 0.44 0.07 0.00 0.00 177.43 178.13 1l7y h ASP 63 N 0.00 0.00 0.00 6.14 3.32 -1.95 -3.47 116.42 120.46 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 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1l7y h ASP 63 CO 0.00 0.49 0.00 0.61 -1.72 0.00 0.00 179.24 178.62 1l7y n GLY 64 N 1.17 0.78 2.97 2.75 0.00 -0.84 -5.13 105.19 106.89 1l7y n GLY 64 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.98 1.00 -1.07 1.61 1.01 -1.26 -4.93 120.40 115.78 1l7y s VAL 65 Ca 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1l7y s VAL 65 Cb 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1l7y s VAL 65 CO 0.00 0.34 1.64 -0.83 0.00 0.00 0.00 175.10 176.25 1l7y s GLY 66 N 0.95 1.06 0.18 4.51 0.00 -1.26 -1.37 107.32 111.38 1l7y s GLY 66 Ca -0.09 -2.25 -0.31 0.00 0.00 0.00 0.00 44.72 42.06 1l7y s GLY 66 CO 0.00 2.91 1.48 0.14 0.00 0.00 0.00 173.10 177.63 1l7y s VAL 67 N 6.23 2.82 0.28 1.40 1.01 0.22 -4.88 120.40 127.48 1l7y s VAL 67 Ca 0.54 0.62 0.08 0.00 0.00 0.00 0.00 61.98 63.21 1l7y s VAL 67 Cb -0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1l7y s VAL 67 CO -0.03 0.06 0.18 0.20 0.00 0.00 0.00 175.10 175.51 1l7y s ASN 68 N 0.87 5.23 -1.33 3.32 -0.87 -1.26 -2.40 114.94 118.51 1l7y s ASN 68 Ca 0.65 -0.42 -0.15 0.00 -1.57 0.00 0.00 52.86 51.38 1l7y s ASN 68 Cb -0.41 -1.16 -0.02 0.00 -0.02 0.00 0.00 41.25 39.65 1l7y s ASN 68 CO 0.35 -0.12 2.25 -0.81 -2.57 0.00 0.00 177.10 176.20 1l7y n PRO 69 N -1.17 2.66 0.00 -0.60 -0.04 -1.26 -4.05 135.00 130.54 1l7y n PRO 69 Ca -0.06 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1l7y n PRO 69 Cb 0.59 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 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 6.01 2.34 -1.90 0.55 0.00 -1.26 -4.27 120.51 121.98 1l7y n ALA 70 Ca 0.54 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.68 1l7y n ALA 70 Cb 0.37 0.13 0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.51 3.31 0.60 0.00 -0.21 -1.26 -4.75 119.66 115.84 1l7y s GLN 71 Ca 0.00 0.60 -0.14 0.00 0.02 0.00 0.00 55.36 55.84 1l7y s GLN 71 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 1l7y s GLN 71 CO 0.00 -0.73 1.04 -1.25 -2.12 0.00 0.00 175.29 172.23 1l7y s PRO 72 N -5.22 3.42 0.30 2.91 0.04 -1.26 -0.43 135.00 134.76 1l7y s PRO 72 Ca 0.56 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1l7y s PRO 72 Cb -0.11 -2.05 0.59 0.00 0.04 0.00 0.00 34.50 32.97 1l7y s PRO 72 CO 0.52 -0.71 1.86 0.00 0.04 0.00 0.00 177.00 178.71 1l7y h ALA 73 N 0.13 1.57 -0.31 8.56 0.00 -1.31 -0.82 119.26 127.08 1l7y h ALA 73 Ca -0.46 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1l7y h ALA 73 Cb 1.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1l7y h ALA 73 CO 0.59 0.21 0.17 0.78 0.00 0.00 0.00 179.25 181.00 1l7y h GLY 74 N 0.96 0.43 1.22 0.00 0.00 -1.81 -0.84 103.07 103.02 1l7y h GLY 74 Ca 0.47 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.55 1l7y h GLY 74 CO -0.23 0.11 -0.18 -0.57 0.00 0.00 0.00 176.54 175.67 1l7y h ASN 75 N 0.35 0.91 -0.57 0.19 -0.73 -1.69 -0.89 115.58 113.15 1l7y h ASN 75 Ca 0.13 -0.32 -0.01 0.00 1.87 0.00 0.00 56.30 57.97 1l7y h ASN 75 Cb 0.02 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.33 1l7y h ASN 75 CO -0.07 1.07 0.32 0.40 -0.37 0.00 0.00 177.43 178.78 1l7y h ILE 76 N 0.79 1.18 -0.15 2.57 1.08 -0.78 -0.08 117.51 122.12 1l7y h ILE 76 Ca 0.11 -0.45 -0.17 0.00 -0.39 0.00 0.00 64.86 63.97 1l7y h ILE 76 Cb 0.72 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 1l7y h ILE 76 CO 0.06 0.19 -0.61 0.15 -0.69 0.00 0.00 178.15 177.25 1l7y h PHE 77 N 0.77 0.65 -0.52 1.37 3.04 -1.05 -0.14 116.94 121.07 1l7y h PHE 77 Ca 0.20 -0.25 -0.12 0.00 3.98 0.00 0.00 57.97 61.78 1l7y h PHE 77 Cb 0.03 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1l7y h PHE 77 CO -0.02 0.99 -0.15 -0.07 -2.02 0.00 0.00 178.31 177.04 1l7y h LEU 78 N 0.38 1.03 0.00 0.59 3.38 -0.80 -2.05 115.31 117.83 1l7y h LEU 78 Ca -0.01 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1l7y h LEU 78 Cb 1.16 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1l7y h LEU 78 CO 0.11 1.16 -0.15 0.11 0.09 0.00 0.00 178.44 179.77 1l7y h LYS 79 N 0.89 0.00 0.00 1.13 1.57 -1.01 -3.44 116.57 115.72 1l7y h LYS 79 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1l7y h LYS 79 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1l7y h LYS 79 CO 0.06 0.64 -0.64 0.72 -0.57 0.00 0.00 179.45 179.65 1l7y n HIS 80 N -4.65 0.00 0.00 -1.35 8.25 -0.13 -5.10 115.22 112.24 1l7y n HIS 80 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1l7y n HIS 80 Cb 0.34 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 1.53 0.18 0.08 -1.41 0.00 -0.77 -4.73 105.19 100.07 1l7y n GLY 81 Ca -0.09 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.50 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 1.44 -4.55 1.61 2.88 -1.26 -4.32 113.62 109.41 1l7y n SER 82 Ca 0.00 -0.01 -0.35 0.00 -1.33 0.00 0.00 58.87 57.18 1l7y n SER 82 Cb 0.00 0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 64.17 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 -2.36 2.21 0.21 -1.46 8.01 -1.26 -0.63 118.70 123.41 1l7y s GLU 83 Ca -0.09 1.12 0.00 0.00 0.01 0.00 0.00 54.97 56.01 1l7y s GLU 83 Cb 0.05 -4.56 -0.05 0.00 -4.31 0.00 0.00 34.13 25.26 1l7y s GLU 83 CO 0.59 -3.21 0.08 -0.51 0.01 0.00 0.00 175.26 172.22 1l7y s LEU 84 N 11.54 1.62 -0.00 1.80 1.43 -0.17 -2.99 118.68 131.89 1l7y s LEU 84 Ca 0.89 -1.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1l7y s LEU 84 Cb -0.15 0.14 0.01 0.00 0.03 0.00 0.00 46.19 46.21 1l7y s LEU 84 CO 0.23 -0.73 0.18 -0.13 0.23 0.00 0.00 176.35 176.13 1l7y s ARG 85 N -4.05 0.52 -0.22 1.70 0.52 0.11 -2.64 118.95 114.90 1l7y s ARG 85 Ca 0.34 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 55.13 1l7y s ARG 85 Cb 0.07 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.71 1l7y s ARG 85 CO 0.10 -0.13 0.14 -1.17 0.02 0.00 0.00 175.30 174.26 1l7y s LEU 86 N -1.30 4.14 -0.07 2.53 2.96 -0.01 -0.79 118.68 126.14 1l7y s LEU 86 Ca -0.14 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1l7y s LEU 86 Cb -0.07 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.55 1l7y s LEU 86 CO 0.02 0.12 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.57 1l7y s ILE 87 N 0.70 0.96 -0.25 6.68 2.07 -0.18 -1.56 121.20 129.61 1l7y s ILE 87 Ca 0.08 -0.35 -0.29 0.00 -1.41 0.00 0.00 60.65 58.68 1l7y s ILE 87 Cb -0.12 -0.92 -0.00 0.00 0.13 0.00 0.00 42.46 41.54 1l7y s ILE 87 CO 0.01 0.33 1.29 -2.16 -1.91 0.00 0.00 174.94 172.50 1l7y s PRO 88 N 0.98 4.03 -0.04 3.50 0.04 -1.26 -1.56 135.00 140.69 1l7y s PRO 88 Ca -0.09 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.11 1l7y s PRO 88 Cb -0.15 -3.84 -0.18 0.00 0.04 0.00 0.00 34.50 30.37 1l7y s PRO 88 CO 0.00 -0.98 1.06 0.00 0.04 0.00 0.00 177.00 177.12 1l7y h ARG 89 N 8.92 -0.13 -4.35 4.56 3.08 -1.77 -3.48 114.38 121.21 1l7y h ARG 89 Ca -0.26 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1l7y h ARG 89 Cb 1.10 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.14 1l7y h ARG 89 CO 1.01 0.35 -0.98 -3.47 -1.07 0.00 0.00 179.97 175.81 1l7y n ASP 90 N -4.89 -5.57 -0.08 7.04 -0.08 -1.18 -5.00 116.55 106.80 1l7y n ASP 90 Ca -0.08 1.38 -0.10 0.00 -1.51 0.00 0.00 54.79 54.48 1l7y n ASP 90 Cb 0.28 -4.46 -0.05 0.00 2.34 0.00 0.00 41.12 39.22 1l7y n ASP 90 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 1l7y h ARG 91 N 3.43 0.00 -5.36 -0.67 2.43 -1.96 -3.46 114.38 108.79 1l7y h ARG 91 Ca -0.16 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.35 1l7y h ARG 91 Cb 0.37 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.66 1l7y h ARG 91 CO 0.00 0.39 -0.75 0.14 -1.51 0.00 0.00 179.97 178.25 1l7y s VAL 92 N -2.14 3.22 0.11 0.20 -7.23 -1.26 -5.02 120.40 108.28 1l7y s VAL 92 Ca -0.16 -0.60 -0.23 0.00 -1.81 0.00 0.00 61.98 59.17 1l7y s VAL 92 Cb 0.02 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 1l7y s VAL 92 CO 0.33 0.52 1.70 1.23 -0.31 0.00 0.00 175.10 178.57 1l7y h GLY 93 N 6.63 -0.10 -1.63 2.32 0.00 -2.01 -3.55 103.07 104.73 1l7y h GLY 93 Ca -0.28 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1l7y h GLY 93 CO 0.57 -0.10 0.00 1.57 0.00 0.00 0.00 176.54 178.57