#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 -2.26 -1.38 7.83 2.88 -1.26 -4.66 113.62 114.77 1l7y n SER 2 Ca 0.00 0.74 -0.04 0.00 -1.33 0.00 0.00 58.87 58.24 1l7y n SER 2 Cb 0.00 -3.30 0.02 0.00 -0.75 0.00 0.00 64.21 60.17 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 0.76 0.39 0.00 0.46 0.00 -1.26 -4.78 105.19 100.76 1l7y n GLY 3 Ca -0.17 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.96 0.13 3.50 -0.02 0.00 -1.26 -5.06 105.19 101.51 1l7y n GLY 4 Ca -0.04 -0.56 -0.49 0.00 0.00 0.00 0.00 46.02 44.93 1l7y n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l7y n THR 5 N 0.00 0.25 -3.08 2.61 -1.04 -1.26 -3.12 114.28 108.63 1l7y n THR 5 Ca 0.00 -0.30 -0.45 0.00 -2.04 0.00 0.00 64.05 61.26 1l7y n THR 5 Cb 0.00 -1.87 -0.02 0.00 -1.82 0.00 0.00 70.33 66.61 1l7y n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1l7y s ALA 6 N 7.30 3.67 -0.19 2.41 0.00 -1.26 -4.82 121.76 128.87 1l7y s ALA 6 Ca 1.06 -3.01 -0.17 0.00 0.00 0.00 0.00 51.96 49.85 1l7y s ALA 6 Cb -0.73 -3.85 -0.21 0.00 0.00 0.00 0.00 23.12 18.34 1l7y s ALA 6 CO 0.46 -2.70 0.23 0.00 0.00 0.00 0.00 175.76 173.74 1l7y n ALA 7 N 5.50 0.84 -0.10 0.00 0.00 -1.26 -4.69 120.51 120.81 1l7y n ALA 7 Ca 0.20 -0.55 -0.14 0.00 0.00 0.00 0.00 53.44 52.95 1l7y n ALA 7 Cb 0.48 -0.56 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 -4.13 1.49 -2.09 0.00 -2.24 -1.26 -4.98 114.28 101.07 1l7y n THR 8 Ca -0.33 0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.20 1l7y n THR 8 Cb 0.80 -2.22 0.13 0.00 -2.10 0.00 0.00 70.33 66.95 1l7y n THR 8 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1l7y s THR 9 N -2.52 2.07 -0.12 4.28 -4.23 -1.26 -4.99 115.64 108.87 1l7y s THR 9 Ca -0.26 -0.15 0.15 0.00 -1.18 0.00 0.00 61.69 60.25 1l7y s THR 9 Cb 0.06 -2.93 -0.07 0.00 1.34 0.00 0.00 72.50 70.91 1l7y s THR 9 CO 0.40 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.57 1l7y h ALA 10 N -1.16 0.64 -0.50 3.99 0.00 -1.94 -3.42 119.26 116.88 1l7y h ALA 10 Ca -0.43 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1l7y h ALA 10 Cb 1.27 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1l7y h ALA 10 CO 0.48 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.97 1l7y n GLY 11 N 1.33 1.29 3.85 0.00 0.00 -1.26 -4.69 105.19 105.71 1l7y n GLY 11 Ca -0.05 0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 1l7y n GLY 11 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1l7y s SER 12 N -4.00 6.55 0.07 1.61 1.04 -1.26 -5.10 113.70 112.61 1l7y s SER 12 Ca 0.00 0.66 0.09 0.00 0.48 0.00 0.00 55.95 57.18 1l7y s SER 12 Cb 0.00 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 63.94 1l7y s SER 12 CO 0.00 0.35 -0.25 -0.54 0.98 0.00 0.00 173.24 173.78 1l7y s LYS 13 N -0.89 1.55 -0.22 4.02 1.02 -1.26 -4.21 119.74 119.76 1l7y s LYS 13 Ca 0.18 -1.13 -0.12 0.00 0.02 0.00 0.00 55.97 54.92 1l7y s LYS 13 Cb -0.14 -1.80 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 1l7y s LYS 13 CO 0.07 0.45 0.23 0.14 -0.92 0.00 0.00 175.35 175.32 1l7y s VAL 14 N -0.89 5.32 -0.14 3.17 -7.23 0.38 -4.91 120.40 116.10 1l7y s VAL 14 Ca 0.11 0.35 -0.04 0.00 -1.81 0.00 0.00 61.98 60.59 1l7y s VAL 14 Cb -0.10 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 1l7y s VAL 14 CO 0.03 0.34 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.26 1l7y s THR 15 N 0.97 4.17 -0.08 5.32 2.01 -1.26 -2.16 115.64 124.61 1l7y s THR 15 Ca 0.11 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1l7y s THR 15 Cb -0.13 -2.82 -0.00 0.00 0.01 0.00 0.00 72.50 69.55 1l7y s THR 15 CO 0.04 0.51 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.89 1l7y s PHE 16 N 0.07 2.45 -0.47 4.92 0.08 -0.38 -4.54 117.98 120.10 1l7y s PHE 16 Ca 0.01 -0.88 -0.09 0.00 0.12 0.00 0.00 56.93 56.09 1l7y s PHE 16 Cb -0.13 -1.63 0.12 0.00 -0.57 0.00 0.00 43.02 40.81 1l7y s PHE 16 CO 0.02 -0.32 0.34 -1.59 -0.10 0.00 0.00 175.22 173.57 1l7y s LYS 17 N 0.13 2.46 -0.05 0.44 -2.85 -0.12 -0.76 119.74 119.00 1l7y s LYS 17 Ca -0.12 -1.77 -0.18 0.00 -1.00 0.00 0.00 55.97 52.90 1l7y s LYS 17 Cb -0.16 -3.92 -0.05 0.00 -2.06 0.00 0.00 37.83 31.64 1l7y s LYS 17 CO 0.06 -1.19 0.49 0.42 0.10 0.00 0.00 175.35 175.24 1l7y s ILE 18 N 1.35 5.06 -0.24 3.79 1.09 -0.11 -1.67 121.20 130.46 1l7y s ILE 18 Ca 0.06 1.01 0.02 0.00 -1.10 0.00 0.00 60.65 60.64 1l7y s ILE 18 Cb -0.26 -3.82 0.05 0.00 -1.06 0.00 0.00 42.46 37.37 1l7y s ILE 18 CO -0.01 0.42 -0.11 -0.89 -0.10 0.00 0.00 174.94 174.25 1l7y s THR 19 N -0.08 1.98 0.36 2.92 2.01 0.05 -0.44 115.64 122.44 1l7y s THR 19 Ca 0.27 -1.39 -0.28 0.00 0.31 0.00 0.00 61.69 60.59 1l7y s THR 19 Cb -0.16 -2.07 -0.10 0.00 0.01 0.00 0.00 72.50 70.17 1l7y s THR 19 CO 0.13 0.06 1.36 -1.48 -0.69 0.00 0.00 174.62 174.00 1l7y s LEU 20 N 1.21 4.35 0.00 4.42 2.34 -1.26 -2.02 118.68 127.72 1l7y s LEU 20 Ca -0.06 2.79 0.15 0.00 0.06 0.00 0.00 54.13 57.07 1l7y s LEU 20 Cb -0.18 -3.71 0.07 0.00 -0.56 0.00 0.00 46.19 41.81 1l7y s LEU 20 CO -0.07 -0.70 0.90 1.07 -1.06 0.00 0.00 176.35 176.49 1l7y n THR 21 N 0.56 0.00 0.00 5.48 5.66 -1.02 -4.55 114.28 120.41 1l7y n THR 21 Ca 0.01 -0.44 -0.19 0.00 -3.05 0.00 0.00 64.05 60.38 1l7y n THR 21 Cb 0.41 1.26 -0.14 0.00 -1.55 0.00 0.00 70.33 70.31 1l7y n THR 21 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1l7y h SER 22 N 2.41 0.31 -3.41 1.09 0.02 -1.92 -3.44 113.55 108.61 1l7y h SER 22 Ca 0.00 -0.90 -0.66 0.00 -0.84 0.00 0.00 61.79 59.39 1l7y h SER 22 Cb 0.57 -0.10 -0.28 0.00 0.14 0.00 0.00 62.40 62.73 1l7y h SER 22 CO 0.00 1.38 -0.72 -0.62 -1.14 0.00 0.00 176.83 175.72 1l7y s ASP 23 N -6.82 4.31 0.16 3.07 -1.08 -1.26 -4.72 116.67 110.32 1l7y s ASP 23 Ca -0.17 -0.45 0.06 0.00 -0.52 0.00 0.00 52.55 51.47 1l7y s ASP 23 Cb 0.01 -1.73 -0.07 0.00 -1.46 0.00 0.00 42.92 39.67 1l7y s ASP 23 CO 0.77 -0.03 1.35 1.55 0.52 0.00 0.00 175.17 179.33 1l7y h PRO 24 N 8.11 0.04 -0.46 4.34 0.13 -1.87 -3.30 132.00 138.98 1l7y h PRO 24 Ca -0.41 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1l7y h PRO 24 Cb 1.15 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1l7y h PRO 24 CO 0.60 0.93 0.05 0.87 -0.23 0.00 0.00 178.00 180.22 1l7y h LYS 25 N 0.02 0.78 -6.71 0.86 1.57 -1.98 -3.43 116.57 107.68 1l7y h LYS 25 Ca -0.02 -0.22 -0.52 0.00 -1.87 0.00 0.00 60.65 58.02 1l7y h LYS 25 Cb 1.60 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 33.86 1l7y h LYS 25 CO 0.12 0.81 0.59 -0.51 -0.57 0.00 0.00 179.45 179.90 1l7y s LEU 26 N -9.49 4.45 0.85 2.94 1.43 -1.25 -5.02 118.68 112.59 1l7y s LEU 26 Ca -0.13 2.35 -0.12 0.00 -1.03 0.00 0.00 54.13 55.20 1l7y s LEU 26 Cb 0.11 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.82 1l7y s LEU 26 CO 0.80 -0.42 1.17 -2.16 0.23 0.00 0.00 176.35 175.98 1l7y s PRO 27 N -0.54 1.67 0.73 1.29 0.04 -1.26 -4.89 135.00 132.03 1l7y s PRO 27 Ca 0.53 0.14 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 1l7y s PRO 27 Cb -0.35 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1l7y s PRO 27 CO 0.40 -1.81 1.08 -0.59 0.04 0.00 0.00 177.00 176.12 1l7y s PHE 28 N -3.51 3.13 -0.04 0.56 -0.71 -1.26 -4.72 117.98 111.43 1l7y s PHE 28 Ca 0.63 1.20 0.07 0.00 -1.04 0.00 0.00 56.93 57.79 1l7y s PHE 28 Cb -0.12 -3.00 -0.02 0.00 -1.21 0.00 0.00 43.02 38.68 1l7y s PHE 28 CO 0.50 -1.35 -0.25 0.21 -1.34 0.00 0.00 175.22 172.99 1l7y s LYS 29 N -5.19 2.36 -0.13 1.99 2.36 0.42 -4.99 119.74 116.56 1l7y s LYS 29 Ca 0.59 -0.91 -0.04 0.00 -2.55 0.00 0.00 55.97 53.06 1l7y s LYS 29 Cb -0.13 -2.12 -0.03 0.00 -1.05 0.00 0.00 37.83 34.50 1l7y s LYS 29 CO 0.54 0.47 0.01 0.08 1.55 0.00 0.00 175.35 178.00 1l7y s VAL 30 N -0.39 4.38 -0.21 4.02 1.01 -1.26 -0.94 120.40 127.01 1l7y s VAL 30 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1l7y s VAL 30 Cb -0.12 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.41 1l7y s VAL 30 CO 0.01 0.54 -0.08 -0.76 0.00 0.00 0.00 175.10 174.82 1l7y s LEU 31 N -0.25 2.40 -0.38 3.92 1.43 0.07 -4.98 118.68 120.89 1l7y s LEU 31 Ca 0.06 -1.01 -0.13 0.00 -1.03 0.00 0.00 54.13 52.02 1l7y s LEU 31 Cb -0.12 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.92 1l7y s LEU 31 CO 0.02 -0.19 0.24 -0.94 0.23 0.00 0.00 176.35 175.71 1l7y s SER 32 N 1.40 5.90 0.06 2.29 1.04 -1.26 -1.25 113.70 121.88 1l7y s SER 32 Ca -0.03 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1l7y s SER 32 Cb -0.17 -2.09 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 1l7y s SER 32 CO -0.07 -0.37 -0.04 0.68 0.98 0.00 0.00 173.24 174.41 1l7y s VAL 33 N 1.63 0.35 0.58 5.02 -7.23 -0.92 -5.00 120.40 114.83 1l7y s VAL 33 Ca 0.04 -1.58 -0.15 0.00 -1.81 0.00 0.00 61.98 58.48 1l7y s VAL 33 Cb -0.19 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 1l7y s VAL 33 CO 0.08 -0.80 1.03 -2.16 -0.31 0.00 0.00 175.10 172.94 1l7y s PRO 34 N -3.16 3.52 -1.04 4.82 0.04 -1.26 -0.47 135.00 137.45 1l7y s PRO 34 Ca 0.02 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1l7y s PRO 34 Cb 0.02 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 1l7y s PRO 34 CO -0.06 -0.63 2.08 -1.21 0.04 0.00 0.00 177.00 177.22 1l7y s GLU 35 N -4.29 1.90 0.00 4.56 8.01 -1.26 -2.66 118.70 124.97 1l7y s GLU 35 Ca 0.60 -0.50 0.00 0.00 0.01 0.00 0.00 54.97 55.08 1l7y s GLU 35 Cb -0.13 -5.05 0.00 0.00 -4.31 0.00 0.00 34.13 24.64 1l7y s GLU 35 CO 0.39 -4.50 0.00 -1.13 0.01 0.00 0.00 175.26 170.03 1l7y n SER 36 N 16.88 0.00 -4.77 -0.19 3.41 -1.26 -4.74 113.62 122.94 1l7y n SER 36 Ca 0.43 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.64 1l7y n SER 36 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.76 2.13 0.47 6.66 -4.23 -1.09 -4.63 115.64 114.19 1l7y s THR 37 Ca 0.00 0.13 -0.20 0.00 -1.18 0.00 0.00 61.69 60.44 1l7y s THR 37 Cb 0.00 -3.08 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 1l7y s THR 37 CO 0.00 0.03 0.99 -2.16 -0.54 0.00 0.00 174.62 172.94 1l7y s PRO 38 N -2.17 4.00 0.49 3.99 0.04 -1.26 -0.56 135.00 139.53 1l7y s PRO 38 Ca 0.55 1.20 0.33 0.00 0.04 0.00 0.00 61.00 63.12 1l7y s PRO 38 Cb -0.45 -2.14 1.54 0.00 0.04 0.00 0.00 34.50 33.49 1l7y s PRO 38 CO 0.60 -0.24 1.99 0.35 0.04 0.00 0.00 177.00 179.74 1l7y h PHE 39 N 1.61 0.00 -0.52 0.56 3.57 -0.96 -2.61 116.94 118.59 1l7y h PHE 39 Ca -0.49 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.00 1l7y h PHE 39 Cb 1.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1l7y h PHE 39 CO 0.60 0.00 0.29 1.79 -2.23 0.00 0.00 178.31 178.76 1l7y h THR 40 N 0.00 1.17 -0.08 4.41 1.35 -1.83 0.21 112.91 118.14 1l7y h THR 40 Ca 0.00 -0.42 -0.24 0.00 -0.55 0.00 0.00 66.41 65.20 1l7y h THR 40 Cb 0.29 0.51 0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1l7y h THR 40 CO 0.00 0.18 -0.89 0.00 -0.25 0.00 0.00 175.52 174.56 1l7y h ALA 41 N 1.13 0.27 0.09 6.62 0.00 -1.86 -2.10 119.26 123.40 1l7y h ALA 41 Ca 0.18 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1l7y h ALA 41 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1l7y h ALA 41 CO -0.03 0.70 -0.04 0.28 0.00 0.00 0.00 179.25 180.16 1l7y h VAL 42 N 0.45 0.95 -0.46 0.00 2.07 -1.25 -0.71 116.25 117.28 1l7y h VAL 42 Ca -0.08 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1l7y h VAL 42 Cb 1.53 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1l7y h VAL 42 CO 0.18 0.03 0.18 0.25 0.02 0.00 0.00 177.57 178.22 1l7y h LEU 43 N -0.16 0.60 0.06 2.57 6.46 -0.65 -2.16 115.31 122.04 1l7y h LEU 43 Ca -0.01 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1l7y h LEU 43 Cb 0.13 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1l7y h LEU 43 CO 0.02 0.56 -0.03 0.11 -0.62 0.00 0.00 178.44 178.47 1l7y h LYS 44 N 0.66 -0.08 -0.70 1.25 1.57 -0.90 -0.06 116.57 118.30 1l7y h LYS 44 Ca 0.16 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1l7y h LYS 44 Cb 0.15 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1l7y h LYS 44 CO -0.01 0.14 0.45 0.74 -0.57 0.00 0.00 179.45 180.19 1l7y h PHE 45 N -0.30 0.84 -0.27 -1.35 0.04 -0.92 0.79 116.94 115.77 1l7y h PHE 45 Ca -0.01 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1l7y h PHE 45 Cb 0.26 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 1l7y h PHE 45 CO -0.00 0.50 0.04 0.00 -0.60 0.00 0.00 178.31 178.24 1l7y h ALA 46 N 1.29 0.36 -0.05 2.45 0.00 -1.30 -2.67 119.26 119.32 1l7y h ALA 46 Ca 0.27 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1l7y h ALA 46 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1l7y h ALA 46 CO -0.09 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.08 1l7y h ALA 47 N 0.86 1.70 -0.05 0.00 0.00 -0.60 -2.00 119.26 119.17 1l7y h ALA 47 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1l7y h ALA 47 Cb 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1l7y h ALA 47 CO 0.01 0.22 0.03 0.93 0.00 0.00 0.00 179.25 180.44 1l7y h GLU 48 N 0.08 0.07 -0.38 0.00 5.08 -0.50 0.59 114.58 119.51 1l7y h GLU 48 Ca 0.02 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1l7y h GLU 48 Cb 0.27 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1l7y h GLU 48 CO 0.02 0.05 -0.34 1.49 -1.00 0.00 0.00 179.01 179.22 1l7y h GLU 49 N 0.06 0.89 0.00 2.33 4.22 -1.40 -2.76 114.58 117.92 1l7y h GLU 49 Ca 0.02 -0.44 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1l7y h GLU 49 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l7y h GLU 49 CO -0.00 1.09 0.00 0.74 -2.18 0.00 0.00 179.01 178.65 1l7y h PHE 50 N 0.74 0.00 -1.03 0.92 0.04 -1.11 -3.46 116.94 113.04 1l7y h PHE 50 Ca 0.07 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 1l7y h PHE 50 Cb 0.92 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.07 1l7y h PHE 50 CO 0.06 0.00 -0.11 1.17 -0.60 0.00 0.00 178.31 178.83 1l7y n LYS 51 N -2.80 -0.71 -4.38 1.51 4.81 0.08 -4.83 118.16 111.84 1l7y n LYS 51 Ca 0.00 0.17 -0.23 0.00 -0.87 0.00 0.00 58.31 57.38 1l7y n LYS 51 Cb 0.22 -3.60 -0.11 0.00 0.02 0.00 0.00 35.03 31.56 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1l7y s VAL 52 N -2.51 2.05 -0.11 3.15 -7.23 -0.47 -4.85 120.40 110.43 1l7y s VAL 52 Ca 0.04 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1l7y s VAL 52 Cb -0.02 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1l7y s VAL 52 CO 0.05 -0.30 1.15 -2.16 -0.31 0.00 0.00 175.10 173.53 1l7y s PRO 53 N -2.93 4.33 0.38 4.82 0.04 -1.26 -4.35 135.00 136.02 1l7y s PRO 53 Ca 0.20 1.57 0.14 0.00 0.04 0.00 0.00 61.00 62.95 1l7y s PRO 53 Cb -0.06 -3.60 0.75 0.00 0.04 0.00 0.00 34.50 31.63 1l7y s PRO 53 CO 0.09 -0.49 1.83 0.00 0.04 0.00 0.00 177.00 178.47 1l7y h ALA 54 N 7.52 1.33 -1.00 8.56 0.00 -1.91 -2.94 119.26 130.83 1l7y h ALA 54 Ca -0.30 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.31 1l7y h ALA 54 Cb 1.14 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1l7y h ALA 54 CO 0.90 0.46 0.66 0.00 0.00 0.00 0.00 179.25 181.27 1l7y h ALA 55 N 1.63 1.31 -1.17 0.00 0.00 -1.98 -2.85 119.26 116.21 1l7y h ALA 55 Ca -0.00 -0.05 -0.62 0.00 0.00 0.00 0.00 54.91 54.23 1l7y h ALA 55 Cb 0.67 -0.36 -0.38 0.00 0.00 0.00 0.00 17.79 17.72 1l7y h ALA 55 CO 0.05 0.57 -0.23 0.25 0.00 0.00 0.00 179.25 179.88 1l7y n THR 56 N -4.44 2.78 -4.21 0.00 -2.24 -1.12 -5.01 114.28 100.05 1l7y n THR 56 Ca 0.13 -4.42 -0.12 0.00 -2.27 0.00 0.00 64.05 57.37 1l7y n THR 56 Cb 0.08 -1.22 -0.10 0.00 -2.10 0.00 0.00 70.33 66.99 1l7y n THR 56 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1l7y s SER 57 N -2.90 1.40 0.11 3.42 0.01 -1.08 -0.94 113.70 113.73 1l7y s SER 57 Ca 0.51 -1.02 -0.06 0.00 1.31 0.00 0.00 55.95 56.69 1l7y s SER 57 Cb 0.42 0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 1l7y s SER 57 CO -0.16 -0.42 0.16 0.00 0.41 0.00 0.00 173.24 173.23 1l7y s ALA 58 N -3.51 0.16 -0.10 1.44 0.00 -0.15 -4.82 121.76 114.78 1l7y s ALA 58 Ca 0.15 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 1l7y s ALA 58 Cb 0.04 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1l7y s ALA 58 CO -0.02 -0.52 -0.06 0.42 0.00 0.00 0.00 175.76 175.58 1l7y s ILE 59 N -3.93 0.84 0.42 0.00 1.01 -1.03 -0.60 121.20 117.91 1l7y s ILE 59 Ca 0.12 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.64 1l7y s ILE 59 Cb 0.05 -0.89 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1l7y s ILE 59 CO -0.05 0.33 0.58 0.27 0.00 0.00 0.00 174.94 176.07 1l7y s ILE 60 N 1.65 3.25 0.43 2.92 -4.36 0.69 0.68 121.20 126.46 1l7y s ILE 60 Ca 0.03 -0.92 0.07 0.00 -0.26 0.00 0.00 60.65 59.57 1l7y s ILE 60 Cb -0.13 -3.12 -0.04 0.00 1.25 0.00 0.00 42.46 40.42 1l7y s ILE 60 CO -0.06 -0.06 0.24 0.28 0.24 0.00 0.00 174.94 175.58 1l7y s THR 61 N -2.39 2.31 0.30 8.37 -1.32 -0.46 0.26 115.64 122.72 1l7y s THR 61 Ca 0.53 -1.61 0.37 0.00 -1.21 0.00 0.00 61.69 59.77 1l7y s THR 61 Cb -0.10 -2.92 0.40 0.00 -1.51 0.00 0.00 72.50 68.37 1l7y s THR 61 CO 0.34 0.00 2.13 -1.13 -2.21 0.00 0.00 174.62 173.74 1l7y h ASN 62 N 1.29 0.00 1.41 8.08 -1.24 -1.87 -2.18 115.58 121.06 1l7y h ASN 62 Ca -0.42 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.48 1l7y h ASN 62 Cb 1.26 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.30 1l7y h ASN 62 CO 0.66 0.00 -0.50 0.44 -1.29 0.00 0.00 177.43 176.75 1l7y h ASP 63 N 0.00 0.00 0.00 1.15 3.32 -1.91 -3.47 116.42 115.51 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 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1l7y h ASP 63 CO 0.00 0.50 0.00 0.61 -1.72 0.00 0.00 179.24 178.63 1l7y n GLY 64 N 1.11 0.77 2.96 2.75 0.00 -0.82 -5.13 105.19 106.83 1l7y n GLY 64 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.92 0.98 -1.05 1.61 1.01 -1.26 -4.93 120.40 115.84 1l7y s VAL 65 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 1l7y s VAL 65 Cb 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1l7y s VAL 65 CO 0.00 0.33 1.62 -0.83 0.00 0.00 0.00 175.10 176.22 1l7y s GLY 66 N 1.00 1.05 0.14 4.51 0.00 -1.26 -1.35 107.32 111.41 1l7y s GLY 66 Ca -0.09 -2.22 -0.31 0.00 0.00 0.00 0.00 44.72 42.11 1l7y s GLY 66 CO -0.00 2.90 1.57 0.14 0.00 0.00 0.00 173.10 177.71 1l7y s VAL 67 N 6.19 2.78 0.27 1.40 1.01 0.21 -4.89 120.40 127.38 1l7y s VAL 67 Ca 0.53 0.51 0.07 0.00 0.00 0.00 0.00 61.98 63.09 1l7y s VAL 67 Cb -0.01 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1l7y s VAL 67 CO -0.04 0.03 0.25 0.20 0.00 0.00 0.00 175.10 175.54 1l7y s ASN 68 N 1.40 5.63 -1.37 3.32 0.01 -1.26 -2.47 114.94 120.20 1l7y s ASN 68 Ca 0.70 -0.24 -0.11 0.00 -0.71 0.00 0.00 52.86 52.50 1l7y s ASN 68 Cb -0.42 -1.40 -0.06 0.00 0.41 0.00 0.00 41.25 39.78 1l7y s ASN 68 CO 0.31 -0.11 2.52 -0.81 -1.51 0.00 0.00 177.10 177.50 1l7y n PRO 69 N -1.27 2.97 -1.32 -0.60 -0.04 -1.26 -4.03 135.00 129.45 1l7y n PRO 69 Ca -0.07 -2.12 -0.03 0.00 -0.04 0.00 0.00 63.50 61.24 1l7y n PRO 69 Cb 0.58 -2.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.15 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 4.68 3.28 -2.47 0.55 0.00 -1.26 -4.22 120.51 121.07 1l7y n ALA 70 Ca 0.63 -1.24 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 1l7y n ALA 70 Cb 0.27 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.12 0.62 0.40 0.00 -0.21 -1.26 -4.97 119.66 114.12 1l7y s GLN 71 Ca 0.11 -1.04 -0.24 0.00 0.02 0.00 0.00 55.36 54.22 1l7y s GLN 71 Cb 0.15 -0.08 -0.09 0.00 1.00 0.00 0.00 33.01 33.99 1l7y s GLN 71 CO -0.06 -0.03 1.01 -1.25 -2.12 0.00 0.00 175.29 172.85 1l7y s PRO 72 N -2.86 4.23 0.28 2.91 0.04 -1.26 -0.29 135.00 138.04 1l7y s PRO 72 Ca 0.00 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1l7y s PRO 72 Cb -0.01 -2.51 0.61 0.00 0.04 0.00 0.00 34.50 32.64 1l7y s PRO 72 CO -0.04 -0.07 1.78 0.00 0.04 0.00 0.00 177.00 178.72 1l7y h ALA 73 N 2.47 1.48 -0.35 8.56 0.00 -1.09 -0.00 119.26 130.33 1l7y h ALA 73 Ca -0.48 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1l7y h ALA 73 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1l7y h ALA 73 CO 0.62 0.00 0.21 0.78 0.00 0.00 0.00 179.25 180.87 1l7y h GLY 74 N 0.77 0.48 1.57 0.00 0.00 -1.84 -2.24 103.07 101.80 1l7y h GLY 74 Ca 0.51 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.58 1l7y h GLY 74 CO -0.35 0.15 -0.30 -0.57 0.00 0.00 0.00 176.54 175.47 1l7y h ASN 75 N 0.43 0.51 -0.88 0.19 -0.73 -1.61 -1.61 115.58 111.87 1l7y h ASN 75 Ca 0.14 -0.19 0.01 0.00 1.87 0.00 0.00 56.30 58.13 1l7y h ASN 75 Cb -0.01 -0.14 -0.05 0.00 0.27 0.00 0.00 38.32 38.40 1l7y h ASN 75 CO -0.06 0.79 0.58 0.40 -0.37 0.00 0.00 177.43 178.77 1l7y h ILE 76 N 0.43 1.21 0.06 2.57 1.08 -0.54 0.20 117.51 122.52 1l7y h ILE 76 Ca 0.06 -0.40 -0.28 0.00 -0.39 0.00 0.00 64.86 63.84 1l7y h ILE 76 Cb 0.74 -0.07 0.02 0.00 -3.07 0.00 0.00 36.82 34.45 1l7y h ILE 76 CO 0.06 0.21 -1.14 0.15 -0.69 0.00 0.00 178.15 176.74 1l7y h PHE 77 N 1.17 0.99 -0.47 1.37 3.04 -1.26 0.24 116.94 122.02 1l7y h PHE 77 Ca 0.33 -0.58 -0.12 0.00 3.98 0.00 0.00 57.97 61.58 1l7y h PHE 77 Cb -0.11 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.29 1l7y h PHE 77 CO -0.01 1.42 -0.18 -0.07 -2.02 0.00 0.00 178.31 177.45 1l7y h LEU 78 N 0.32 0.93 0.00 0.59 3.38 -0.99 -2.39 115.31 117.15 1l7y h LEU 78 Ca -0.15 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 1l7y h LEU 78 Cb 1.80 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1l7y h LEU 78 CO 0.22 1.09 -0.80 0.50 0.09 0.00 0.00 178.44 179.54 1l7y h LYS 79 N 0.81 0.00 0.00 1.13 3.64 -0.69 -3.44 116.57 118.02 1l7y h LYS 79 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1l7y h LYS 79 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1l7y h LYS 79 CO 0.06 0.73 -0.48 0.72 -2.27 0.00 0.00 179.45 178.21 1l7y n HIS 80 N -4.53 0.46 0.00 1.91 8.25 -0.10 -5.08 115.22 116.13 1l7y n HIS 80 Ca -0.21 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1l7y n HIS 80 Cb 0.52 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1l7y n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1l7y n GLY 81 N 1.59 0.30 0.48 -1.41 0.00 -0.20 -4.89 105.19 101.06 1l7y n GLY 81 Ca -0.07 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 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 1.62 -4.62 1.61 3.41 -1.26 -4.05 113.62 110.33 1l7y n SER 82 Ca 0.00 0.05 -0.43 0.00 -0.26 0.00 0.00 58.87 58.23 1l7y n SER 82 Cb 0.00 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 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 -2.16 3.53 0.12 4.33 -6.30 -1.26 -0.95 118.70 116.00 1l7y s GLU 83 Ca -0.12 1.84 0.02 0.00 -2.50 0.00 0.00 54.97 54.21 1l7y s GLU 83 Cb 0.04 -4.19 -0.04 0.00 0.00 0.00 0.00 34.13 29.93 1l7y s GLU 83 CO 0.17 -1.63 -0.05 -0.51 0.02 0.00 0.00 175.26 173.26 1l7y s LEU 84 N 6.44 2.39 0.06 2.70 1.43 -0.67 -2.80 118.68 128.23 1l7y s LEU 84 Ca 0.85 -1.05 0.07 0.00 -1.03 0.00 0.00 54.13 52.97 1l7y s LEU 84 Cb -0.29 -0.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 1l7y s LEU 84 CO 0.34 -0.50 -0.20 -0.13 0.23 0.00 0.00 176.35 176.09 1l7y s ARG 85 N -3.86 1.31 -0.18 1.70 3.00 0.14 -0.77 118.95 120.29 1l7y s ARG 85 Ca 0.15 -0.98 -0.06 0.00 0.00 0.00 0.00 55.73 54.84 1l7y s ARG 85 Cb 0.05 -1.45 -0.04 0.00 0.00 0.00 0.00 34.95 33.52 1l7y s ARG 85 CO -0.02 0.36 0.03 -1.17 0.00 0.00 0.00 175.30 174.50 1l7y s LEU 86 N -1.33 3.62 -0.07 2.53 0.20 -0.86 -0.22 118.68 122.55 1l7y s LEU 86 Ca 0.07 -0.00 0.00 0.00 0.69 0.00 0.00 54.13 54.89 1l7y s LEU 86 Cb -0.09 -1.91 0.02 0.00 -0.43 0.00 0.00 46.19 43.78 1l7y s LEU 86 CO 0.02 0.16 -0.06 -0.51 -0.29 0.00 0.00 176.35 175.67 1l7y s ILE 87 N 0.46 0.78 0.06 6.68 2.07 0.23 -2.42 121.20 129.05 1l7y s ILE 87 Ca 0.01 -0.20 -0.30 0.00 -1.41 0.00 0.00 60.65 58.75 1l7y s ILE 87 Cb -0.13 -0.80 -0.05 0.00 0.13 0.00 0.00 42.46 41.61 1l7y s ILE 87 CO 0.01 0.30 1.06 -2.16 -1.91 0.00 0.00 174.94 172.24 1l7y s PRO 88 N 1.29 4.55 -0.08 3.50 0.04 -1.26 -0.98 135.00 142.06 1l7y s PRO 88 Ca -0.04 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1l7y s PRO 88 Cb -0.14 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1l7y s PRO 88 CO -0.03 -0.05 0.41 0.00 0.04 0.00 0.00 177.00 177.37 1l7y h ARG 89 N 6.39 -0.17 -3.03 4.56 3.08 -1.36 -3.40 114.38 120.45 1l7y h ARG 89 Ca -0.42 0.01 -0.65 0.00 0.07 0.00 0.00 59.98 58.99 1l7y h ARG 89 Cb 1.22 0.04 -0.39 0.00 0.08 0.00 0.00 29.97 30.91 1l7y h ARG 89 CO 0.76 0.07 -0.35 -0.25 -1.07 0.00 0.00 179.97 179.13 1l7y n ASP 90 N -4.88 3.69 -3.71 7.04 9.92 -1.19 -5.04 116.55 122.39 1l7y n ASP 90 Ca -0.04 -3.23 -0.12 0.00 -0.53 0.00 0.00 54.79 50.87 1l7y n ASP 90 Cb 0.16 -0.87 -0.06 0.00 -0.64 0.00 0.00 41.12 39.71 1l7y n ASP 90 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1l7y s ARG 91 N -1.64 0.90 0.23 -1.24 1.81 -1.26 -4.98 118.95 112.76 1l7y s ARG 91 Ca 0.28 -0.53 0.11 0.00 -1.72 0.00 0.00 55.73 53.88 1l7y s ARG 91 Cb -0.02 0.40 0.12 0.00 -0.45 0.00 0.00 34.95 34.99 1l7y s ARG 91 CO -0.12 -0.31 1.46 -0.39 -0.68 0.00 0.00 175.30 175.26 1l7y h VAL 92 N 2.94 1.36 0.00 3.52 -1.51 -1.96 -3.48 116.25 117.12 1l7y h VAL 92 Ca -0.32 -2.58 0.00 0.00 -1.23 0.00 0.00 66.70 62.57 1l7y h VAL 92 Cb 1.21 2.45 0.00 0.00 -2.13 0.00 0.00 31.29 32.83 1l7y h VAL 92 CO 0.46 0.70 0.00 0.61 -1.23 0.00 0.00 177.57 178.11 1l7y n GLY 93 N 0.88 0.80 0.00 5.19 0.00 -1.26 -5.08 105.19 105.72 1l7y n GLY 93 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89