#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 6.37 -1.12 7.83 0.15 -1.26 -4.19 113.70 121.47 1l7y s SER 2 Ca 0.00 -2.12 -0.04 0.00 0.70 0.00 0.00 55.95 54.50 1l7y s SER 2 Cb 0.00 -2.20 0.19 0.00 -1.71 0.00 0.00 66.02 62.30 1l7y s SER 2 CO 0.00 -0.75 2.21 0.61 1.20 0.00 0.00 173.24 176.51 1l7y n GLY 3 N 4.78 5.47 2.29 9.45 0.00 -1.26 -4.79 105.19 121.13 1l7y n GLY 3 Ca -0.04 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 0.93 2.02 2.69 -0.02 0.00 -1.26 -4.07 105.19 105.48 1l7y n GLY 4 Ca 0.56 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 1l7y n GLY 4 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1l7y n THR 5 N 0.00 0.25 -3.80 2.61 -2.24 -1.26 -5.08 114.28 104.77 1l7y n THR 5 Ca 0.00 -1.85 -0.36 0.00 -2.27 0.00 0.00 64.05 59.57 1l7y n THR 5 Cb 0.00 0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 69.04 1l7y n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l7y s ALA 6 N -0.65 3.14 -0.66 6.98 0.00 -1.26 -5.04 121.76 124.27 1l7y s ALA 6 Ca 0.22 -2.55 -0.26 0.00 0.00 0.00 0.00 51.96 49.37 1l7y s ALA 6 Cb 0.42 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1l7y s ALA 6 CO -0.06 -1.80 1.81 0.00 0.00 0.00 0.00 175.76 175.71 1l7y s ALA 7 N 1.10 2.18 0.01 0.00 0.00 -1.26 -4.34 121.76 119.45 1l7y s ALA 7 Ca 0.09 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.11 1l7y s ALA 7 Cb -0.22 -4.33 0.01 0.00 0.00 0.00 0.00 23.12 18.57 1l7y s ALA 7 CO -0.05 -3.93 0.19 -0.08 0.00 0.00 0.00 175.76 171.89 1l7y s THR 8 N 8.80 0.09 0.08 0.00 -1.32 -1.26 -5.06 115.64 116.97 1l7y s THR 8 Ca 0.64 -0.72 -0.17 0.00 -1.21 0.00 0.00 61.69 60.22 1l7y s THR 8 Cb -0.11 -0.63 -0.10 0.00 -1.51 0.00 0.00 72.50 70.16 1l7y s THR 8 CO 0.17 -0.40 1.43 0.74 -2.21 0.00 0.00 174.62 174.36 1l7y h THR 9 N 3.93 1.30 0.00 5.08 2.02 -1.91 -3.44 112.91 119.89 1l7y h THR 9 Ca -0.31 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1l7y h THR 9 Cb 1.19 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1l7y h THR 9 CO 0.43 0.38 0.00 0.00 0.37 0.00 0.00 175.52 176.70 1l7y n ALA 10 N -2.43 3.00 -0.23 6.16 0.00 -1.26 -4.70 120.51 121.05 1l7y n ALA 10 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1l7y n ALA 10 Cb 0.36 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1l7y n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l7y n GLY 11 N 2.65 1.69 3.68 0.00 0.00 -1.26 -3.01 105.19 108.94 1l7y n GLY 11 Ca 0.00 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1l7y n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1l7y s SER 12 N -4.00 5.96 0.04 1.61 0.15 -1.26 -5.07 113.70 111.13 1l7y s SER 12 Ca 0.00 0.15 -0.02 0.00 0.70 0.00 0.00 55.95 56.78 1l7y s SER 12 Cb 0.00 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1l7y s SER 12 CO 0.00 0.16 -0.00 -1.59 1.20 0.00 0.00 173.24 173.01 1l7y s LYS 13 N 0.47 0.50 -0.06 5.44 -2.85 -1.26 -3.13 119.74 118.84 1l7y s LYS 13 Ca 0.06 -0.90 0.01 0.00 -1.00 0.00 0.00 55.97 54.14 1l7y s LYS 13 Cb -0.12 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.80 1l7y s LYS 13 CO -0.00 -0.10 -0.06 0.14 0.10 0.00 0.00 175.35 175.43 1l7y s VAL 14 N -2.77 3.75 -0.14 1.79 -7.23 0.79 -4.91 120.40 111.68 1l7y s VAL 14 Ca -0.04 -0.49 -0.05 0.00 -1.81 0.00 0.00 61.98 59.59 1l7y s VAL 14 Cb -0.00 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1l7y s VAL 14 CO -0.06 0.58 0.05 -0.89 -0.31 0.00 0.00 175.10 174.47 1l7y s THR 15 N -0.84 4.68 0.02 5.32 2.01 -1.26 -2.01 115.64 123.56 1l7y s THR 15 Ca 0.13 -0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.13 1l7y s THR 15 Cb -0.11 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1l7y s THR 15 CO 0.02 0.53 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.86 1l7y s PHE 16 N -0.18 2.33 -0.27 4.92 0.08 0.35 -4.39 117.98 120.82 1l7y s PHE 16 Ca 0.07 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.73 1l7y s PHE 16 Cb -0.12 -1.43 0.06 0.00 -0.57 0.00 0.00 43.02 40.96 1l7y s PHE 16 CO 0.01 0.07 -0.08 0.15 -0.10 0.00 0.00 175.22 175.28 1l7y s LYS 17 N -1.02 2.17 -0.31 0.44 1.02 0.43 -0.60 119.74 121.87 1l7y s LYS 17 Ca 0.11 -1.41 -0.10 0.00 0.02 0.00 0.00 55.97 54.60 1l7y s LYS 17 Cb -0.10 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1l7y s LYS 17 CO 0.01 -0.62 0.16 0.42 -0.92 0.00 0.00 175.35 174.40 1l7y s ILE 18 N 1.09 4.70 -0.11 2.17 1.09 -0.20 -0.62 121.20 129.32 1l7y s ILE 18 Ca -0.06 -0.33 -0.00 0.00 -1.10 0.00 0.00 60.65 59.15 1l7y s ILE 18 Cb -0.20 -3.37 -0.02 0.00 -1.06 0.00 0.00 42.46 37.81 1l7y s ILE 18 CO -0.05 0.10 -0.09 -0.89 -0.10 0.00 0.00 174.94 173.91 1l7y s THR 19 N 1.64 3.44 0.52 2.92 2.01 -0.76 -0.89 115.64 124.51 1l7y s THR 19 Ca 0.05 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.28 1l7y s THR 19 Cb -0.17 -2.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.85 1l7y s THR 19 CO 0.07 0.54 1.34 -0.22 -0.69 0.00 0.00 174.62 175.66 1l7y s LEU 20 N -0.10 3.91 0.39 4.42 2.96 -1.26 -1.07 118.68 127.93 1l7y s LEU 20 Ca -0.00 2.73 0.19 0.00 -0.22 0.00 0.00 54.13 56.83 1l7y s LEU 20 Cb -0.13 -4.22 0.78 0.00 0.50 0.00 0.00 46.19 43.12 1l7y s LEU 20 CO 0.03 -1.43 1.79 0.71 -1.32 0.00 0.00 176.35 176.13 1l7y h THR 21 N 1.62 0.90 -0.29 3.68 1.35 -1.92 -3.13 112.91 115.12 1l7y h THR 21 Ca -0.51 -1.36 -0.01 0.00 -0.55 0.00 0.00 66.41 63.98 1l7y h THR 21 Cb 1.29 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.52 1l7y h THR 21 CO 0.58 0.34 0.14 0.28 -0.25 0.00 0.00 175.52 176.61 1l7y h SER 22 N 0.00 0.38 -3.69 5.36 0.02 -1.90 -3.43 113.55 110.29 1l7y h SER 22 Ca -0.00 -0.13 -0.49 0.00 -0.84 0.00 0.00 61.79 60.33 1l7y h SER 22 Cb 0.79 -0.10 0.05 0.00 0.14 0.00 0.00 62.40 63.28 1l7y h SER 22 CO 0.04 0.40 0.17 1.51 -1.14 0.00 0.00 176.83 177.82 1l7y s ASP 23 N -5.65 5.98 -0.01 3.07 1.47 -1.18 -5.05 116.67 115.31 1l7y s ASP 23 Ca -0.13 0.89 -0.00 0.00 1.18 0.00 0.00 52.55 54.48 1l7y s ASP 23 Cb 0.09 -2.05 -0.00 0.00 -0.34 0.00 0.00 42.92 40.62 1l7y s ASP 23 CO 0.72 -0.81 0.16 1.55 0.68 0.00 0.00 175.17 177.47 1l7y h PRO 24 N 0.00 -0.01 -0.21 2.11 0.13 -1.84 -3.45 132.00 128.73 1l7y h PRO 24 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1l7y h PRO 24 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1l7y h PRO 24 CO 0.61 -0.01 -0.30 1.17 -0.23 0.00 0.00 178.00 179.25 1l7y n LYS 25 N -2.19 0.43 0.07 0.86 3.00 -1.26 -4.99 118.16 114.07 1l7y n LYS 25 Ca -0.00 -1.32 0.00 0.00 -0.00 0.00 0.00 58.31 56.99 1l7y n LYS 25 Cb 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 35.03 34.20 1l7y n LYS 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1l7y n LEU 26 N 2.00 -0.57 -4.57 3.14 4.77 -1.26 -5.00 117.00 115.51 1l7y n LEU 26 Ca 0.09 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.91 1l7y n LEU 26 Cb 0.64 0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 42.40 1l7y n LEU 26 CO -0.05 -0.48 1.65 -2.16 -1.33 0.00 0.00 177.39 175.01 1l7y s PRO 27 N -1.39 3.67 0.23 3.23 0.04 -1.26 -4.96 135.00 134.57 1l7y s PRO 27 Ca 0.00 -1.39 0.06 0.00 0.04 0.00 0.00 61.00 59.70 1l7y s PRO 27 Cb 0.00 -5.41 -0.05 0.00 0.04 0.00 0.00 34.50 29.08 1l7y s PRO 27 CO 0.00 -2.29 -0.07 -0.59 0.04 0.00 0.00 177.00 174.09 1l7y s PHE 28 N 4.99 1.70 -0.09 0.56 -0.12 -1.26 -4.13 117.98 119.62 1l7y s PHE 28 Ca 0.50 -0.73 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 1l7y s PHE 28 Cb 0.01 -0.92 -0.03 0.00 -0.63 0.00 0.00 43.02 41.45 1l7y s PHE 28 CO -0.03 0.19 -0.09 0.15 -0.05 0.00 0.00 175.22 175.39 1l7y s LYS 29 N -3.74 2.98 -0.21 1.99 3.01 -0.07 -4.94 119.74 118.75 1l7y s LYS 29 Ca 0.26 -0.60 -0.06 0.00 -1.01 0.00 0.00 55.97 54.56 1l7y s LYS 29 Cb 0.03 -2.61 -0.03 0.00 -1.01 0.00 0.00 37.83 34.21 1l7y s LYS 29 CO 0.08 0.50 0.03 0.08 0.51 0.00 0.00 175.35 176.55 1l7y s VAL 30 N -0.38 4.19 -0.19 3.17 1.01 -1.26 -1.03 120.40 125.91 1l7y s VAL 30 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1l7y s VAL 30 Cb -0.12 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1l7y s VAL 30 CO 0.02 0.41 -0.16 -0.76 0.00 0.00 0.00 175.10 174.61 1l7y s LEU 31 N 1.02 2.37 -0.31 3.92 1.43 0.23 -4.94 118.68 122.41 1l7y s LEU 31 Ca 0.03 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.42 1l7y s LEU 31 Cb -0.14 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.56 1l7y s LEU 31 CO 0.02 -0.02 0.08 -0.44 0.23 0.00 0.00 176.35 176.23 1l7y s SER 32 N 1.32 5.14 0.10 2.29 0.01 -1.26 -0.49 113.70 120.81 1l7y s SER 32 Ca 0.04 -0.86 0.03 0.00 1.31 0.00 0.00 55.95 56.48 1l7y s SER 32 Cb -0.14 -1.87 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1l7y s SER 32 CO -0.11 -0.23 -0.10 0.68 0.41 0.00 0.00 173.24 173.90 1l7y s VAL 33 N 1.46 0.91 0.52 3.43 -7.23 -0.85 -4.96 120.40 113.68 1l7y s VAL 33 Ca 0.01 -1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 1l7y s VAL 33 Cb -0.18 -1.41 -0.07 0.00 0.56 0.00 0.00 36.38 35.28 1l7y s VAL 33 CO 0.02 -0.61 1.03 -2.16 -0.31 0.00 0.00 175.10 173.08 1l7y s PRO 34 N -2.96 3.67 -1.04 4.82 0.04 -1.26 -0.15 135.00 138.12 1l7y s PRO 34 Ca 0.07 1.25 -0.25 0.00 0.04 0.00 0.00 61.00 62.11 1l7y s PRO 34 Cb -0.02 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 1l7y s PRO 34 CO -0.01 -0.52 2.08 -1.21 0.04 0.00 0.00 177.00 177.38 1l7y s GLU 35 N -3.60 1.85 0.00 4.56 8.01 -1.18 -2.61 118.70 125.72 1l7y s GLU 35 Ca 0.65 -0.50 0.00 0.00 0.01 0.00 0.00 54.97 55.13 1l7y s GLU 35 Cb -0.15 -5.04 0.00 0.00 -4.31 0.00 0.00 34.13 24.62 1l7y s GLU 35 CO 0.26 -4.57 0.00 -1.13 0.01 0.00 0.00 175.26 169.83 1l7y n SER 36 N 17.08 0.00 -4.77 -0.19 3.41 -1.26 -4.75 113.62 123.14 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 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.94 2.42 0.55 6.66 -4.23 -1.07 -4.72 115.64 114.30 1l7y s THR 37 Ca 0.00 0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 60.77 1l7y s THR 37 Cb 0.00 -3.27 -0.06 0.00 1.34 0.00 0.00 72.50 70.51 1l7y s THR 37 CO 0.00 0.10 1.02 -2.16 -0.54 0.00 0.00 174.62 173.03 1l7y s PRO 38 N -1.94 3.69 0.57 3.99 0.04 -1.26 -0.84 135.00 139.24 1l7y s PRO 38 Ca 0.51 1.05 0.37 0.00 0.04 0.00 0.00 61.00 62.97 1l7y s PRO 38 Cb -0.43 -2.09 1.80 0.00 0.04 0.00 0.00 34.50 33.81 1l7y s PRO 38 CO 0.57 -0.49 2.12 0.35 0.04 0.00 0.00 177.00 179.59 1l7y h PHE 39 N 0.69 0.00 -0.58 0.56 3.57 -0.72 -2.45 116.94 118.02 1l7y h PHE 39 Ca -0.47 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 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 0.62 0.00 0.34 1.79 -2.23 0.00 0.00 178.31 178.83 1l7y h THR 40 N 0.00 1.18 -0.09 4.41 1.35 -1.81 0.21 112.91 118.16 1l7y h THR 40 Ca 0.00 -0.42 -0.23 0.00 -0.55 0.00 0.00 66.41 65.21 1l7y h THR 40 Cb 0.25 0.41 0.01 0.00 -1.73 0.00 0.00 68.15 67.09 1l7y h THR 40 CO 0.00 0.19 -0.87 0.00 -0.25 0.00 0.00 175.52 174.59 1l7y h ALA 41 N 1.16 0.29 -0.01 6.62 0.00 -1.84 -2.02 119.26 123.47 1l7y h ALA 41 Ca 0.21 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1l7y h ALA 41 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1l7y h ALA 41 CO -0.04 0.70 0.00 0.28 0.00 0.00 0.00 179.25 180.20 1l7y h VAL 42 N 0.45 1.06 -0.43 0.00 2.07 -1.24 -1.40 116.25 116.75 1l7y h VAL 42 Ca -0.08 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1l7y h VAL 42 Cb 1.50 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1l7y h VAL 42 CO 0.17 0.04 0.09 0.25 0.02 0.00 0.00 177.57 178.14 1l7y h LEU 43 N -0.06 0.60 -0.31 2.57 6.46 -0.66 -1.79 115.31 122.12 1l7y h LEU 43 Ca 0.00 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1l7y h LEU 43 Cb 0.07 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 1l7y h LEU 43 CO -0.00 0.61 0.14 0.50 -0.62 0.00 0.00 178.44 179.07 1l7y h LYS 44 N 0.63 0.45 -0.33 1.25 3.64 -0.93 0.73 116.57 122.02 1l7y h LYS 44 Ca 0.14 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1l7y h LYS 44 Cb 0.26 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1l7y h LYS 44 CO -0.00 0.44 -0.01 0.35 -2.27 0.00 0.00 179.45 177.96 1l7y h PHE 45 N 0.36 0.64 -0.33 1.91 3.57 -1.00 0.40 116.94 122.50 1l7y h PHE 45 Ca 0.11 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1l7y h PHE 45 Cb 0.14 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1l7y h PHE 45 CO -0.01 0.71 0.19 0.00 -2.23 0.00 0.00 178.31 176.96 1l7y h ALA 46 N 0.85 0.42 -0.42 2.41 0.00 -1.20 -2.01 119.26 119.31 1l7y h ALA 46 Ca 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1l7y h ALA 46 Cb 0.46 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1l7y h ALA 46 CO 0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.13 1l7y h ALA 47 N 1.06 1.08 -0.47 0.00 0.00 -0.77 -1.35 119.26 118.81 1l7y h ALA 47 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1l7y h ALA 47 Cb 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1l7y h ALA 47 CO -0.02 0.57 0.30 1.49 0.00 0.00 0.00 179.25 181.59 1l7y h GLU 48 N 0.67 0.60 0.00 0.00 4.22 -0.50 -0.74 114.58 118.83 1l7y h GLU 48 Ca 0.12 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.41 1l7y h GLU 48 Cb 0.52 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1l7y h GLU 48 CO 0.03 0.40 -0.53 0.93 -2.18 0.00 0.00 179.01 177.66 1l7y h GLU 49 N 0.62 0.00 -0.01 1.92 3.07 -1.18 -2.92 114.58 116.08 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 -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1l7y h GLU 49 CO -0.05 0.53 0.00 1.19 -1.40 0.00 0.00 179.01 179.28 1l7y n PHE 50 N -3.62 0.01 -2.82 4.33 3.72 -0.53 -4.90 117.46 113.65 1l7y n PHE 50 Ca -0.00 -0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1l7y n PHE 50 Cb 0.60 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.16 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 -0.66 -3.58 -4.21 -1.08 4.01 -0.64 -5.02 118.16 106.98 1l7y n LYS 51 Ca 0.22 0.63 -0.16 0.00 -0.51 0.00 0.00 58.31 58.48 1l7y n LYS 51 Cb 0.17 -4.91 -0.11 0.00 -0.51 0.00 0.00 35.03 29.67 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1l7y s VAL 52 N -3.00 1.14 -0.00 -0.18 -7.23 -0.38 -5.05 120.40 105.71 1l7y s VAL 52 Ca 0.23 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1l7y s VAL 52 Cb -0.10 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1l7y s VAL 52 CO 0.28 -0.48 1.12 -2.16 -0.31 0.00 0.00 175.10 173.55 1l7y s PRO 53 N -2.71 4.44 0.31 4.82 0.04 -1.26 -4.04 135.00 136.61 1l7y s PRO 53 Ca 0.07 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.75 1l7y s PRO 53 Cb -0.04 -3.46 0.53 0.00 0.04 0.00 0.00 34.50 31.57 1l7y s PRO 53 CO 0.02 -0.26 1.81 0.00 0.04 0.00 0.00 177.00 178.61 1l7y h ALA 54 N 7.01 1.26 -0.82 8.56 0.00 -1.89 -2.45 119.26 130.92 1l7y h ALA 54 Ca -0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1l7y h ALA 54 Cb 1.19 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1l7y h ALA 54 CO 0.82 0.49 0.48 0.00 0.00 0.00 0.00 179.25 181.03 1l7y h ALA 55 N 1.42 1.30 -0.86 0.00 0.00 -1.98 -2.56 119.26 116.59 1l7y h ALA 55 Ca 0.09 -0.10 -0.58 0.00 0.00 0.00 0.00 54.91 54.32 1l7y h ALA 55 Cb 0.47 -0.33 -0.32 0.00 0.00 0.00 0.00 17.79 17.61 1l7y h ALA 55 CO 0.03 0.59 0.21 2.41 0.00 0.00 0.00 179.25 182.49 1l7y n THR 56 N -4.36 3.14 -4.13 0.00 -1.04 -1.03 -4.97 114.28 101.89 1l7y n THR 56 Ca 0.09 -3.29 -0.13 0.00 -2.04 0.00 0.00 64.05 58.68 1l7y n THR 56 Cb 0.08 -1.03 -0.11 0.00 -1.82 0.00 0.00 70.33 67.44 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 -2.46 1.11 0.22 8.00 0.01 -0.95 -2.57 113.70 117.05 1l7y s SER 57 Ca 0.58 -0.77 -0.08 0.00 1.31 0.00 0.00 55.95 56.99 1l7y s SER 57 Cb 0.47 0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.73 1l7y s SER 57 CO 0.01 -0.31 0.33 0.00 0.41 0.00 0.00 173.24 173.68 1l7y s ALA 58 N -2.42 0.29 -0.08 1.44 0.00 0.15 -4.41 121.76 116.72 1l7y s ALA 58 Ca 0.01 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1l7y s ALA 58 Cb -0.03 1.15 0.02 0.00 0.00 0.00 0.00 23.12 24.26 1l7y s ALA 58 CO -0.02 -0.73 -0.08 0.42 0.00 0.00 0.00 175.76 175.35 1l7y s ILE 59 N -4.06 0.92 0.44 0.00 1.01 -1.04 -0.70 121.20 117.77 1l7y s ILE 59 Ca 0.27 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.72 1l7y s ILE 59 Cb 0.03 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1l7y s ILE 59 CO 0.09 0.33 0.47 0.27 0.00 0.00 0.00 174.94 176.10 1l7y s ILE 60 N 1.26 2.63 0.43 2.92 -4.36 0.08 0.62 121.20 124.78 1l7y s ILE 60 Ca -0.04 -1.23 0.08 0.00 -0.26 0.00 0.00 60.65 59.20 1l7y s ILE 60 Cb -0.14 -2.86 0.01 0.00 1.25 0.00 0.00 42.46 40.73 1l7y s ILE 60 CO -0.03 0.00 0.58 0.42 0.24 0.00 0.00 174.94 176.15 1l7y s THR 61 N -2.48 2.93 0.27 8.37 -4.23 0.21 0.02 115.64 120.74 1l7y s THR 61 Ca 0.50 -1.01 0.26 0.00 -1.18 0.00 0.00 61.69 60.26 1l7y s THR 61 Cb -0.05 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 71.11 1l7y s THR 61 CO 0.30 0.00 1.95 -1.13 -0.54 0.00 0.00 174.62 175.20 1l7y h ASN 62 N 0.63 0.00 0.00 3.99 -0.73 -1.90 -3.17 115.58 114.40 1l7y h ASN 62 Ca -0.39 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 57.78 1l7y h ASN 62 Cb 1.28 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.87 1l7y h ASN 62 CO 0.45 0.17 -0.00 0.44 -0.37 0.00 0.00 177.43 178.12 1l7y h ASP 63 N 0.00 -0.01 0.00 1.15 5.19 -1.94 -3.48 116.42 117.33 1l7y h ASP 63 Ca -0.00 -0.82 0.00 0.00 -0.62 0.00 0.00 57.03 55.59 1l7y h ASP 63 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1l7y h ASP 63 CO 0.02 0.89 0.00 0.61 -3.12 0.00 0.00 179.24 177.64 1l7y n GLY 64 N 1.55 0.00 3.05 2.75 0.00 -1.20 -5.15 105.19 106.20 1l7y n GLY 64 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 1.80 -1.05 1.61 1.01 -1.26 -4.90 120.40 117.62 1l7y s VAL 65 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1l7y s VAL 65 Cb 0.00 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1l7y s VAL 65 CO 0.00 0.39 1.66 -0.83 0.00 0.00 0.00 175.10 176.33 1l7y s GLY 66 N 1.37 0.96 0.12 4.51 0.00 -1.26 -0.61 107.32 112.40 1l7y s GLY 66 Ca 0.03 -2.17 -0.31 0.00 0.00 0.00 0.00 44.72 42.27 1l7y s GLY 66 CO -0.11 2.97 1.37 0.14 0.00 0.00 0.00 173.10 177.48 1l7y s VAL 67 N 6.66 3.32 0.31 1.40 1.01 0.20 -4.92 120.40 128.38 1l7y s VAL 67 Ca 0.55 0.96 0.08 0.00 0.00 0.00 0.00 61.98 63.58 1l7y s VAL 67 Cb -0.01 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1l7y s VAL 67 CO -0.03 0.08 0.11 0.20 0.00 0.00 0.00 175.10 175.46 1l7y s ASN 68 N 1.02 4.75 -1.41 3.32 -0.87 -1.26 -2.50 114.94 117.99 1l7y s ASN 68 Ca 0.64 -0.67 -0.12 0.00 -1.57 0.00 0.00 52.86 51.13 1l7y s ASN 68 Cb -0.37 -0.84 -0.04 0.00 -0.02 0.00 0.00 41.25 39.98 1l7y s ASN 68 CO 0.31 -0.18 2.49 -0.81 -2.57 0.00 0.00 177.10 176.34 1l7y n PRO 69 N -1.08 2.99 -2.00 -0.60 -0.04 -1.26 -4.28 135.00 128.72 1l7y n PRO 69 Ca -0.04 -2.24 0.01 0.00 -0.04 0.00 0.00 63.50 61.18 1l7y n PRO 69 Cb 0.60 -2.97 0.03 0.00 -0.04 0.00 0.00 33.50 31.13 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 4.99 2.66 -3.23 0.55 0.00 -1.26 -4.40 120.51 119.83 1l7y n ALA 70 Ca 0.62 -2.15 -0.10 0.00 0.00 0.00 0.00 53.44 51.81 1l7y n ALA 70 Cb 0.30 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.28 1.28 0.54 0.00 -2.07 -1.26 -5.02 119.66 111.86 1l7y s GLN 71 Ca 0.25 -0.78 -0.17 0.00 -1.82 0.00 0.00 55.36 52.84 1l7y s GLN 71 Cb 0.32 0.51 -0.06 0.00 -1.09 0.00 0.00 33.01 32.70 1l7y s GLN 71 CO -0.10 -0.54 1.03 -1.25 -1.32 0.00 0.00 175.29 173.11 1l7y s PRO 72 N -3.84 3.63 0.26 9.60 0.04 -1.26 -0.01 135.00 143.42 1l7y s PRO 72 Ca 0.07 1.15 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 1l7y s PRO 72 Cb -0.00 -2.08 0.31 0.00 0.04 0.00 0.00 34.50 32.77 1l7y s PRO 72 CO -0.06 -0.55 1.94 0.00 0.04 0.00 0.00 177.00 178.36 1l7y h ALA 73 N 0.84 1.32 -0.59 8.56 0.00 -1.28 -1.52 119.26 126.60 1l7y h ALA 73 Ca -0.47 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1l7y h ALA 73 Cb 1.21 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1l7y h ALA 73 CO 0.59 0.63 0.30 0.78 0.00 0.00 0.00 179.25 181.56 1l7y h GLY 74 N 1.30 0.84 1.61 0.00 0.00 -1.85 -1.55 103.07 103.42 1l7y h GLY 74 Ca 0.36 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 1l7y h GLY 74 CO -0.08 0.12 -0.43 -0.57 0.00 0.00 0.00 176.54 175.58 1l7y h ASN 75 N 0.57 0.46 -0.59 0.19 -1.24 -1.81 -1.17 115.58 111.99 1l7y h ASN 75 Ca 0.26 -0.21 -0.00 0.00 0.71 0.00 0.00 56.30 57.06 1l7y h ASN 75 Cb 0.17 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 1l7y h ASN 75 CO -0.18 0.83 0.36 0.40 -1.29 0.00 0.00 177.43 177.56 1l7y h ILE 76 N 0.36 1.17 -0.01 2.57 1.08 -0.36 0.40 117.51 122.71 1l7y h ILE 76 Ca 0.03 -0.37 -0.25 0.00 -0.39 0.00 0.00 64.86 63.88 1l7y h ILE 76 Cb 0.90 0.35 0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1l7y h ILE 76 CO 0.08 0.17 -0.99 0.15 -0.69 0.00 0.00 178.15 176.87 1l7y h PHE 77 N 0.80 0.91 -0.38 1.37 3.04 -1.24 0.15 116.94 121.58 1l7y h PHE 77 Ca 0.21 -0.49 -0.07 0.00 3.98 0.00 0.00 57.97 61.60 1l7y h PHE 77 Cb -0.03 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.35 1l7y h PHE 77 CO -0.02 1.32 -0.07 -0.07 -2.02 0.00 0.00 178.31 177.45 1l7y h LEU 78 N 0.36 0.62 0.00 0.59 3.38 -0.98 -2.40 115.31 116.88 1l7y h LEU 78 Ca -0.11 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1l7y h LEU 78 Cb 1.63 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 1l7y h LEU 78 CO 0.19 0.74 -1.16 1.17 0.09 0.00 0.00 178.44 179.47 1l7y n LYS 79 N -4.21 0.52 -0.07 1.13 4.81 0.11 -4.79 118.16 115.67 1l7y n LYS 79 Ca 0.01 0.39 -0.05 0.00 -0.87 0.00 0.00 58.31 57.80 1l7y n LYS 79 Cb 0.31 -1.59 -0.03 0.00 0.02 0.00 0.00 35.03 33.75 1l7y n LYS 79 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1l7y h HIS 80 N -1.00 0.00 0.00 5.64 3.86 -0.94 -3.51 115.15 119.20 1l7y h HIS 80 Ca -0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1l7y h HIS 80 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 1l7y h HIS 80 CO -0.20 0.22 0.00 0.41 0.86 0.00 0.00 177.93 179.21 1l7y n GLY 81 N 1.66 0.07 0.31 2.45 0.00 -0.20 -4.81 105.19 104.67 1l7y n GLY 81 Ca -0.07 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 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 2.41 -4.59 1.61 3.41 -1.26 -4.13 113.62 111.06 1l7y n SER 82 Ca 0.00 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 1l7y n SER 82 Cb 0.00 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.12 3.03 0.21 4.33 2.56 -1.26 -0.43 118.70 125.02 1l7y s GLU 83 Ca -0.08 1.69 -0.00 0.00 0.00 0.00 0.00 54.97 56.58 1l7y s GLU 83 Cb 0.03 -4.35 -0.04 0.00 2.00 0.00 0.00 34.13 31.76 1l7y s GLU 83 CO 0.13 -2.22 0.11 -0.51 -0.56 0.00 0.00 175.26 172.22 1l7y s LEU 84 N 8.43 1.34 0.13 2.70 1.43 0.21 -3.61 118.68 129.30 1l7y s LEU 84 Ca 0.92 -1.37 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1l7y s LEU 84 Cb -0.27 0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 1l7y s LEU 84 CO 0.33 -0.80 -0.09 -0.13 0.23 0.00 0.00 176.35 175.89 1l7y s ARG 85 N -4.11 0.99 -0.16 1.70 0.52 0.10 -1.83 118.95 116.16 1l7y s ARG 85 Ca 0.37 -1.41 -0.04 0.00 -0.52 0.00 0.00 55.73 54.14 1l7y s ARG 85 Cb 0.07 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 35.01 1l7y s ARG 85 CO 0.12 0.05 -0.03 -1.17 0.02 0.00 0.00 175.30 174.29 1l7y s LEU 86 N -3.10 3.32 0.17 2.53 0.20 -0.23 -0.74 118.68 120.81 1l7y s LEU 86 Ca 0.15 -0.10 0.06 0.00 0.69 0.00 0.00 54.13 54.93 1l7y s LEU 86 Cb 0.03 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 1l7y s LEU 86 CO -0.01 0.17 -0.13 0.27 -0.29 0.00 0.00 176.35 176.36 1l7y s ILE 87 N 0.35 1.49 -1.08 6.68 -4.36 0.12 -2.99 121.20 121.41 1l7y s ILE 87 Ca -0.03 -2.06 -0.22 0.00 -0.26 0.00 0.00 60.65 58.08 1l7y s ILE 87 Cb -0.14 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 41.72 1l7y s ILE 87 CO 0.03 -0.60 1.65 -2.16 0.24 0.00 0.00 174.94 174.10 1l7y s PRO 88 N -3.45 3.40 0.26 0.37 0.04 -1.26 -0.67 135.00 133.68 1l7y s PRO 88 Ca 0.18 -1.17 0.00 0.00 0.04 0.00 0.00 61.00 60.04 1l7y s PRO 88 Cb -0.01 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1l7y s PRO 88 CO 0.04 -2.59 0.00 -2.13 0.04 0.00 0.00 177.00 172.36 1l7y n ARG 89 N 8.72 -2.02 -2.96 4.56 3.00 -1.06 -4.86 116.66 122.03 1l7y n ARG 89 Ca 0.39 1.53 -0.21 0.00 -0.00 0.00 0.00 57.85 59.57 1l7y n ARG 89 Cb 0.49 -1.80 0.08 0.00 0.00 0.00 0.00 32.46 31.22 1l7y n ARG 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1l7y s ASP 90 N -3.27 4.87 -1.96 6.15 -1.08 -1.26 -4.49 116.67 115.63 1l7y s ASP 90 Ca 0.00 -0.84 0.00 0.00 -0.52 0.00 0.00 52.55 51.19 1l7y s ASP 90 Cb 0.00 0.40 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 1l7y s ASP 90 CO 0.00 -1.53 0.00 0.54 0.52 0.00 0.00 175.17 174.70 1l7y n ARG 91 N -2.41 -1.39 -2.80 4.34 1.74 -1.15 -4.87 116.66 110.12 1l7y n ARG 91 Ca 0.17 1.12 -0.14 0.00 -0.77 0.00 0.00 57.85 58.23 1l7y n ARG 91 Cb 0.62 -5.51 0.01 0.00 -1.02 0.00 0.00 32.46 26.56 1l7y n ARG 91 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1l7y n VAL 92 N -2.81 0.91 0.00 1.55 0.24 -1.26 -4.92 118.33 112.03 1l7y n VAL 92 Ca -0.20 -3.79 0.00 0.00 -2.04 0.00 0.00 64.34 58.31 1l7y n VAL 92 Cb 0.65 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 1l7y n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1l7y n GLY 93 N -0.02 3.10 0.00 7.63 0.00 -1.26 -5.10 105.19 109.54 1l7y n GLY 93 Ca 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1l7y n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74