#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qdl s PRO 11 N 0.00 1.01 0.12 2.12 0.04 -1.26 -4.78 135.00 132.25 2qdl s PRO 11 Ca 0.00 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 61.70 2qdl s PRO 11 Cb 0.00 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2qdl s PRO 11 CO 0.00 -2.45 0.92 0.15 0.04 0.00 0.00 177.00 175.67 2qdl s LYS 12 N -4.83 4.69 -0.46 4.56 -0.14 0.46 -4.77 119.74 119.24 2qdl s LYS 12 Ca 0.64 1.39 -0.16 0.00 -1.36 0.00 0.00 55.97 56.49 2qdl s LYS 12 Cb -0.19 -3.36 0.06 0.00 -1.68 0.00 0.00 37.83 32.65 2qdl s LYS 12 CO 0.58 0.27 0.39 0.15 -0.76 0.00 0.00 175.35 175.99 2qdl s LYS 13 N -0.19 2.99 -0.24 1.68 1.02 -1.26 0.20 119.74 123.94 2qdl s LYS 13 Ca 0.45 -1.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.13 2qdl s LYS 13 Cb -0.23 -4.09 -0.04 0.00 -0.52 0.00 0.00 37.83 32.95 2qdl s LYS 13 CO 0.29 -0.97 0.13 0.42 -0.92 0.00 0.00 175.35 174.30 2qdl s ILE 14 N 1.75 5.01 -0.34 2.17 -1.09 0.23 -0.83 121.20 128.12 2qdl s ILE 14 Ca 0.06 0.06 -0.29 0.00 -2.23 0.00 0.00 60.65 58.25 2qdl s ILE 14 Cb -0.22 -3.34 0.02 0.00 -1.58 0.00 0.00 42.46 37.33 2qdl s ILE 14 CO 0.08 0.34 1.06 -0.69 -1.23 0.00 0.00 174.94 174.50 2qdl s VAL 15 N 1.27 4.49 -0.05 2.92 1.01 0.12 -1.07 120.40 129.09 2qdl s VAL 15 Ca 0.06 1.63 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 2qdl s VAL 15 Cb -0.14 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2qdl s VAL 15 CO 0.05 -0.53 0.40 -0.69 0.00 0.00 0.00 175.10 174.33 2qdl s VAL 16 N 3.69 5.12 0.06 2.92 1.01 0.08 -1.52 120.40 131.77 2qdl s VAL 16 Ca 0.45 0.80 -0.07 0.00 0.00 0.00 0.00 61.98 63.16 2qdl s VAL 16 Cb -0.12 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2qdl s VAL 16 CO 0.17 0.50 0.14 0.72 0.00 0.00 0.00 175.10 176.62 2qdl s PHE 17 N -0.48 0.19 0.10 5.22 -0.12 -0.38 0.42 117.98 122.93 2qdl s PHE 17 Ca 0.23 -0.55 0.08 0.00 -0.05 0.00 0.00 56.93 56.63 2qdl s PHE 17 Cb -0.16 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 2qdl s PHE 17 CO 0.11 -0.45 -0.13 -1.54 -0.05 0.00 0.00 175.22 173.17 2qdl s SER 18 N -2.48 4.21 -0.14 1.98 1.04 -0.41 -0.39 113.70 117.51 2qdl s SER 18 Ca 0.00 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.98 2qdl s SER 18 Cb 0.02 -0.74 0.04 0.00 0.10 0.00 0.00 66.02 65.44 2qdl s SER 18 CO -0.07 0.18 -0.01 -0.76 0.98 0.00 0.00 173.24 173.56 2qdl s LEU 19 N -2.13 1.11 0.00 2.42 1.43 -0.84 -1.93 118.68 118.73 2qdl s LEU 19 Ca 0.20 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2qdl s LEU 19 Cb -0.11 -0.66 0.00 0.00 0.03 0.00 0.00 46.19 45.45 2qdl s LEU 19 CO 0.12 -0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.49 2qdl n ALA 20 N 5.02 0.00 -1.00 4.21 0.00 -1.26 -2.37 120.51 125.11 2qdl n ALA 20 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.41 2qdl n ALA 20 Cb 0.49 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.24 2qdl n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qdl n GLU 21 N 14.00 3.47 -4.29 0.00 -0.58 -1.26 -4.97 120.64 127.01 2qdl n GLU 21 Ca 0.00 -2.97 -0.22 0.00 -0.42 0.00 0.00 57.16 53.55 2qdl n GLU 21 Cb 0.00 -1.99 -0.13 0.00 -0.57 0.00 0.00 31.44 28.75 2qdl n GLU 21 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2qdl s GLU 22 N -2.85 1.03 0.05 3.49 2.02 -1.00 -5.14 118.70 116.30 2qdl s GLU 22 Ca 0.47 -1.02 -0.12 0.00 0.02 0.00 0.00 54.97 54.32 2qdl s GLU 22 Cb 0.37 -1.17 -0.06 0.00 0.10 0.00 0.00 34.13 33.38 2qdl s GLU 22 CO 0.11 0.27 0.41 -0.51 0.02 0.00 0.00 175.26 175.56 2qdl s LEU 23 N -1.68 4.39 0.09 1.80 1.43 -1.26 -1.99 118.68 121.45 2qdl s LEU 23 Ca 0.03 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2qdl s LEU 23 Cb -0.10 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2qdl s LEU 23 CO 0.03 0.22 0.01 -0.31 0.23 0.00 0.00 176.35 176.53 2qdl s TYR 24 N -1.29 0.67 0.08 0.29 1.51 0.48 -2.73 117.35 116.35 2qdl s TYR 24 Ca 0.30 -1.14 -0.09 0.00 -1.01 0.00 0.00 57.07 55.13 2qdl s TYR 24 Cb -0.15 -0.43 -0.00 0.00 -0.11 0.00 0.00 41.96 41.27 2qdl s TYR 24 CO 0.16 -0.44 0.19 0.20 -1.11 0.00 0.00 175.55 174.55 2qdl s GLY 25 N -2.98 0.07 0.04 0.71 0.00 0.14 -1.25 107.32 104.06 2qdl s GLY 25 Ca 0.14 -0.53 0.03 0.00 0.00 0.00 0.00 44.72 44.36 2qdl s GLY 25 CO -0.05 -0.72 -0.09 1.08 0.00 0.00 0.00 173.10 173.32 2qdl s LEU 26 N -2.67 2.21 0.18 0.66 1.43 -0.57 -1.87 118.68 118.05 2qdl s LEU 26 Ca 0.02 -0.49 -0.32 0.00 -1.03 0.00 0.00 54.13 52.32 2qdl s LEU 26 Cb 0.03 -0.29 -0.11 0.00 0.03 0.00 0.00 46.19 45.85 2qdl s LEU 26 CO -0.09 -0.11 1.67 -0.62 0.23 0.00 0.00 176.35 177.42 2qdl s ASP 27 N -1.35 6.46 0.53 2.29 -1.08 -1.26 0.14 116.67 122.40 2qdl s ASP 27 Ca -0.06 2.76 0.28 0.00 -0.52 0.00 0.00 52.55 55.02 2qdl s ASP 27 Cb -0.09 -2.59 1.43 0.00 -1.46 0.00 0.00 42.92 40.21 2qdl s ASP 27 CO 0.01 -0.92 1.95 -0.29 0.52 0.00 0.00 175.17 176.44 2qdl h ILE 28 N 3.95 0.65 -0.41 4.11 2.10 -1.34 0.97 117.51 127.55 2qdl h ILE 28 Ca -0.43 -0.00 0.12 0.00 1.08 0.00 0.00 64.86 65.63 2qdl h ILE 28 Cb 1.20 0.65 -0.02 0.00 -1.09 0.00 0.00 36.82 37.56 2qdl h ILE 28 CO 0.94 0.00 0.46 0.15 -1.08 0.00 0.00 178.15 178.62 2qdl h PHE 29 N 0.00 0.00 -0.00 2.19 3.57 -1.90 -1.30 116.94 119.50 2qdl h PHE 29 Ca 0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2qdl h PHE 29 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2qdl h PHE 29 CO -0.00 0.00 -0.84 -0.25 -2.23 0.00 0.00 178.31 174.99 2qdl n ASP 30 N -3.69 1.12 -4.64 0.41 8.00 0.33 -4.89 116.55 113.20 2qdl n ASP 30 Ca 0.07 -1.06 -0.39 0.00 0.71 0.00 0.00 54.79 54.13 2qdl n ASP 30 Cb 0.63 0.90 -0.08 0.00 -0.02 0.00 0.00 41.12 42.56 2qdl n ASP 30 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qdl s VAL 31 N -2.77 5.16 -0.24 2.53 1.01 -0.49 -3.09 120.40 122.51 2qdl s VAL 31 Ca 0.09 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.82 2qdl s VAL 31 Cb 0.15 -3.74 -0.19 0.00 0.00 0.00 0.00 36.38 32.60 2qdl s VAL 31 CO 0.76 0.18 -0.13 1.41 0.00 0.00 0.00 175.10 177.32 2qdl n HIS 32 N 4.99 0.08 -3.52 5.22 8.25 0.13 -4.99 115.22 125.39 2qdl n HIS 32 Ca -0.07 0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 2qdl n HIS 32 Cb 0.51 -1.01 -0.05 0.00 1.12 0.00 0.00 29.99 30.56 2qdl n HIS 32 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2qdl s GLU 33 N -2.52 0.95 -0.14 -0.41 2.12 -1.15 -4.99 118.70 112.57 2qdl s GLU 33 Ca -0.29 0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.09 2qdl s GLU 33 Cb 0.08 0.45 0.00 0.00 0.26 0.00 0.00 34.13 34.92 2qdl s GLU 33 CO 0.65 -0.34 -0.20 0.08 -0.54 0.00 0.00 175.26 174.92 2qdl s VAL 34 N -1.84 2.32 0.15 3.70 1.01 -1.26 -0.28 120.40 124.21 2qdl s VAL 34 Ca -0.05 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.14 2qdl s VAL 34 Cb -0.00 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2qdl s VAL 34 CO 0.02 0.54 -0.24 0.68 0.00 0.00 0.00 175.10 176.10 2qdl s VAL 35 N 0.70 2.12 0.25 2.92 -7.23 -0.19 -4.99 120.40 113.98 2qdl s VAL 35 Ca -0.09 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2qdl s VAL 35 Cb -0.16 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 2qdl s VAL 35 CO 0.01 -0.06 0.09 -1.59 -0.31 0.00 0.00 175.10 173.25 2qdl s LYS 36 N -2.32 1.40 -0.58 4.82 -2.85 -1.26 -1.43 119.74 117.51 2qdl s LYS 36 Ca 0.15 -1.75 -0.09 0.00 -1.00 0.00 0.00 55.97 53.27 2qdl s LYS 36 Cb -0.09 -0.25 0.01 0.00 -2.06 0.00 0.00 37.83 35.45 2qdl s LYS 36 CO 0.07 -0.29 0.18 -0.40 0.10 0.00 0.00 175.35 175.00 2qdl n ASP 37 N -0.45 -0.90 -4.56 0.03 5.68 -1.26 -4.96 116.55 110.12 2qdl n ASP 37 Ca -0.00 -0.56 -0.34 0.00 -0.50 0.00 0.00 54.79 53.39 2qdl n ASP 37 Cb 0.66 -0.68 -0.12 0.00 -1.14 0.00 0.00 41.12 39.84 2qdl n ASP 37 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2qdl s VAL 38 N -4.06 3.62 -0.07 2.12 1.01 -1.26 -5.10 120.40 116.66 2qdl s VAL 38 Ca 0.13 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.35 2qdl s VAL 38 Cb -0.07 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2qdl s VAL 38 CO 0.43 0.59 0.77 -0.44 0.00 0.00 0.00 175.10 176.45 2qdl s SER 39 N -0.76 7.05 -0.02 3.32 0.01 -1.26 -5.04 113.70 117.00 2qdl s SER 39 Ca 0.12 1.27 -0.26 0.00 1.31 0.00 0.00 55.95 58.39 2qdl s SER 39 Cb -0.11 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2qdl s SER 39 CO 0.01 -0.19 0.80 -0.63 0.41 0.00 0.00 173.24 173.65 2qdl s ILE 40 N 1.05 4.92 -0.35 1.44 1.01 -1.26 -4.80 121.20 123.20 2qdl s ILE 40 Ca 0.40 1.67 -0.18 0.00 0.00 0.00 0.00 60.65 62.54 2qdl s ILE 40 Cb -0.18 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.14 2qdl s ILE 40 CO 0.19 0.25 0.52 -0.89 0.00 0.00 0.00 174.94 175.02 2qdl s THR 41 N 0.67 5.00 0.35 2.92 2.01 0.07 -4.90 115.64 121.76 2qdl s THR 41 Ca 0.42 0.36 -0.28 0.00 0.31 0.00 0.00 61.69 62.50 2qdl s THR 41 Cb -0.19 -3.97 -0.11 0.00 0.01 0.00 0.00 72.50 68.24 2qdl s THR 41 CO 0.22 -0.22 1.39 -0.54 -0.69 0.00 0.00 174.62 174.78 2qdl s LYS 42 N 2.42 4.24 -0.10 4.92 1.02 -1.25 -0.58 119.74 130.40 2qdl s LYS 42 Ca 0.19 2.38 0.03 0.00 0.02 0.00 0.00 55.97 58.59 2qdl s LYS 42 Cb -0.15 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.12 2qdl s LYS 42 CO 0.13 -0.36 -0.20 0.42 -0.92 0.00 0.00 175.35 174.43 2qdl s ILE 43 N -1.08 2.44 0.69 2.17 -1.09 -1.26 -4.89 121.20 118.16 2qdl s ILE 43 Ca 0.51 -0.89 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 2qdl s ILE 43 Cb -0.43 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 2qdl s ILE 43 CO 0.57 0.55 1.25 -2.84 -1.23 0.00 0.00 174.94 173.24 2qdl s PRO 44 N 0.24 2.36 -1.06 2.79 0.02 -1.26 -3.95 135.00 134.15 2qdl s PRO 44 Ca -0.13 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 62.79 2qdl s PRO 44 Cb -0.17 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2qdl s PRO 44 CO 0.07 -1.70 0.08 0.39 -0.33 0.00 0.00 177.00 175.50 2qdl n GLU 45 N -2.28 -1.42 -4.27 5.54 -0.58 -1.26 -5.02 120.64 111.35 2qdl n GLU 45 Ca 0.15 0.61 -0.27 0.00 -0.42 0.00 0.00 57.16 57.23 2qdl n GLU 45 Cb 0.49 -4.80 -0.09 0.00 -0.57 0.00 0.00 31.44 26.47 2qdl n GLU 45 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2qdl s THR 46 N -2.69 3.30 0.80 2.62 -4.23 -1.25 -5.12 115.64 109.07 2qdl s THR 46 Ca 0.04 -1.62 -0.14 0.00 -1.18 0.00 0.00 61.69 58.79 2qdl s THR 46 Cb -0.02 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.22 2qdl s THR 46 CO 0.05 -0.12 0.91 -2.65 -0.54 0.00 0.00 174.62 172.27 2qdl n PRO 47 N -0.03 0.16 -0.22 3.99 -0.02 -1.26 -4.90 135.00 132.72 2qdl n PRO 47 Ca -0.10 0.12 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 2qdl n PRO 47 Cb 0.55 -2.20 0.40 0.00 -0.02 0.00 0.00 33.50 32.24 2qdl n PRO 47 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qdl h GLU 48 N -0.83 0.62 0.00 -0.52 5.08 -2.00 -2.27 114.58 114.66 2qdl h GLU 48 Ca -0.46 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.85 2qdl h GLU 48 Cb 1.31 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2qdl h GLU 48 CO 0.43 0.41 -0.06 0.27 -1.00 0.00 0.00 179.01 179.07 2qdl h PHE 49 N 0.64 0.00 -2.44 4.33 -0.00 -1.90 -3.36 116.94 114.21 2qdl h PHE 49 Ca 0.40 0.00 -0.63 0.00 -0.00 0.00 0.00 57.97 57.73 2qdl h PHE 49 Cb 0.64 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 36.45 2qdl h PHE 49 CO -0.00 0.06 0.74 0.42 -0.00 0.00 0.00 178.31 179.52 2qdl s ILE 50 N -3.65 4.33 0.43 0.88 -1.09 -0.85 -0.00 121.20 121.24 2qdl s ILE 50 Ca 0.01 -0.61 0.22 0.00 -2.23 0.00 0.00 60.65 58.03 2qdl s ILE 50 Cb 0.09 -4.76 0.24 0.00 -1.58 0.00 0.00 42.46 36.45 2qdl s ILE 50 CO 0.57 -1.55 2.03 -0.33 -1.23 0.00 0.00 174.94 174.44 2qdl h GLU 51 N 9.46 0.00 0.00 2.79 4.39 -1.46 -3.45 114.58 126.31 2qdl h GLU 51 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2qdl h GLU 51 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2qdl h GLU 51 CO 1.19 0.16 0.00 0.41 -1.16 0.00 0.00 179.01 179.61 2qdl n GLY 52 N -0.81 0.54 3.41 -3.84 0.00 -1.22 -3.96 105.19 99.30 2qdl n GLY 52 Ca -0.02 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 2qdl n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qdl s ILE 53 N -4.00 1.72 0.11 -0.61 -5.25 0.25 -0.53 121.20 112.90 2qdl s ILE 53 Ca 0.00 -2.17 0.07 0.00 -0.99 0.00 0.00 60.65 57.56 2qdl s ILE 53 Cb 0.00 -2.32 -0.04 0.00 2.95 0.00 0.00 42.46 43.05 2qdl s ILE 53 CO 0.00 -0.39 -0.17 0.27 -1.79 0.00 0.00 174.94 172.86 2qdl s ILE 54 N -2.97 1.46 -0.44 8.37 -4.36 -0.45 -0.75 121.20 122.06 2qdl s ILE 54 Ca 0.27 -1.62 -0.10 0.00 -0.26 0.00 0.00 60.65 58.95 2qdl s ILE 54 Cb 0.02 -1.49 0.09 0.00 1.25 0.00 0.00 42.46 42.33 2qdl s ILE 54 CO 0.11 -0.26 0.31 0.21 0.24 0.00 0.00 174.94 175.54 2qdl s ASN 55 N -2.19 5.75 -0.32 4.36 2.47 -1.26 -1.49 114.94 122.26 2qdl s ASN 55 Ca 0.07 -1.60 -0.08 0.00 0.42 0.00 0.00 52.86 51.68 2qdl s ASN 55 Cb -0.07 -2.03 0.02 0.00 -1.45 0.00 0.00 41.25 37.72 2qdl s ASN 55 CO 0.04 -0.61 0.12 -0.22 -3.72 0.00 0.00 177.10 172.71 2qdl s LEU 56 N 1.45 4.16 -1.35 3.21 2.96 -0.65 -4.57 118.68 123.89 2qdl s LEU 56 Ca 0.04 -0.87 -0.08 0.00 -0.22 0.00 0.00 54.13 53.00 2qdl s LEU 56 Cb -0.24 -1.91 0.05 0.00 0.50 0.00 0.00 46.19 44.59 2qdl s LEU 56 CO 0.02 -0.27 0.50 0.54 -1.32 0.00 0.00 176.35 175.82 2qdl n ARG 57 N 4.88 -3.77 -0.73 1.98 1.74 -1.26 -1.39 116.66 118.12 2qdl n ARG 57 Ca -0.13 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 2qdl n ARG 57 Cb 0.47 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.56 2qdl n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qdl n GLY 58 N -1.25 0.67 3.40 -0.13 0.00 -1.26 -5.04 105.19 101.58 2qdl n GLY 58 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2qdl n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qdl s LYS 59 N -0.27 3.42 -0.38 1.61 -0.14 -0.49 -5.08 119.74 118.42 2qdl s LYS 59 Ca 0.00 -0.65 -0.29 0.00 -1.36 0.00 0.00 55.97 53.67 2qdl s LYS 59 Cb 0.00 -2.68 0.02 0.00 -1.68 0.00 0.00 37.83 33.49 2qdl s LYS 59 CO 0.00 0.23 1.13 0.42 -0.76 0.00 0.00 175.35 176.37 2qdl s ILE 60 N 0.32 4.35 -0.25 2.17 -1.09 -1.26 -1.64 121.20 123.79 2qdl s ILE 60 Ca -0.09 1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 59.81 2qdl s ILE 60 Cb -0.15 -4.45 0.03 0.00 -1.58 0.00 0.00 42.46 36.30 2qdl s ILE 60 CO 0.05 -0.67 -0.07 -0.63 -1.23 0.00 0.00 174.94 172.39 2qdl s ILE 61 N 4.05 2.77 0.31 2.92 1.01 -0.55 -4.97 121.20 126.73 2qdl s ILE 61 Ca 0.48 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 2qdl s ILE 61 Cb -0.11 -2.44 -0.10 0.00 0.01 0.00 0.00 42.46 39.83 2qdl s ILE 61 CO 0.22 0.16 1.18 -2.16 0.00 0.00 0.00 174.94 174.34 2qdl s PRO 62 N 1.29 4.47 -0.11 2.79 0.04 -1.26 -1.35 135.00 140.88 2qdl s PRO 62 Ca -0.01 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.01 2qdl s PRO 62 Cb -0.17 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.29 2qdl s PRO 62 CO -0.05 0.01 -0.18 0.08 0.04 0.00 0.00 177.00 176.90 2qdl s VAL 63 N -1.19 1.68 0.05 -0.36 1.01 0.31 -0.37 120.40 121.54 2qdl s VAL 63 Ca 0.47 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.73 2qdl s VAL 63 Cb -0.35 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2qdl s VAL 63 CO 0.45 0.48 -0.03 0.27 0.00 0.00 0.00 175.10 176.27 2qdl s ILE 64 N 0.77 3.87 -0.55 2.22 -4.36 -0.15 -1.61 121.20 121.38 2qdl s ILE 64 Ca -0.10 -0.90 -0.23 0.00 -0.26 0.00 0.00 60.65 59.15 2qdl s ILE 64 Cb -0.16 -2.78 0.05 0.00 1.25 0.00 0.00 42.46 40.82 2qdl s ILE 64 CO 0.01 0.23 0.91 -0.62 0.24 0.00 0.00 174.94 175.71 2qdl s ASP 65 N -1.94 6.31 0.25 4.36 2.15 1.00 -1.04 116.67 127.76 2qdl s ASP 65 Ca 0.22 -0.46 -0.06 0.00 0.43 0.00 0.00 52.55 52.68 2qdl s ASP 65 Cb -0.11 -2.42 0.28 0.00 -0.30 0.00 0.00 42.92 40.37 2qdl s ASP 65 CO 0.14 -1.20 1.91 -0.07 -0.17 0.00 0.00 175.17 175.77 2qdl h LEU 66 N 10.85 1.10 -0.57 -1.34 3.38 -1.85 -0.91 115.31 125.97 2qdl h LEU 66 Ca -0.26 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2qdl h LEU 66 Cb 1.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2qdl h LEU 66 CO 1.08 0.78 0.34 0.11 0.09 0.00 0.00 178.44 180.84 2qdl h LYS 67 N 1.29 0.65 -0.61 1.13 1.57 -1.91 0.17 116.57 118.87 2qdl h LYS 67 Ca 0.37 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.05 2qdl h LYS 67 Cb -0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 2qdl h LYS 67 CO -0.10 0.43 0.13 0.87 -0.57 0.00 0.00 179.45 180.21 2qdl h LYS 68 N 0.67 0.98 -0.54 3.15 1.57 -1.70 0.25 116.57 120.96 2qdl h LYS 68 Ca 0.23 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 2qdl h LYS 68 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2qdl h LYS 68 CO -0.11 0.91 0.04 -0.09 -0.57 0.00 0.00 179.45 179.64 2qdl h ARG 69 N 0.89 0.88 -0.01 3.15 9.65 -0.86 -2.98 114.38 125.11 2qdl h ARG 69 Ca 0.19 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2qdl h ARG 69 Cb 0.38 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2qdl h ARG 69 CO 0.01 0.85 -0.04 1.19 2.80 0.00 0.00 179.97 184.78 2qdl n PHE 70 N -4.22 0.00 -1.45 2.20 3.72 0.58 -4.95 117.46 113.34 2qdl n PHE 70 Ca 0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 2qdl n PHE 70 Cb 0.29 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.76 2qdl n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qdl n GLY 71 N 1.20 1.14 3.78 1.37 0.00 -0.88 -4.73 105.19 107.08 2qdl n GLY 71 Ca 0.18 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2qdl n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qdl s ILE 72 N -2.46 3.84 -0.96 -0.61 -1.09 0.84 -5.01 121.20 115.75 2qdl s ILE 72 Ca 0.00 1.40 -0.10 0.00 -2.23 0.00 0.00 60.65 59.71 2qdl s ILE 72 Cb 0.00 -3.71 0.24 0.00 -1.58 0.00 0.00 42.46 37.41 2qdl s ILE 72 CO 0.00 -0.00 0.91 -0.83 -1.23 0.00 0.00 174.94 173.79 2qdl s GLY 73 N -1.62 2.95 0.00 6.18 0.00 -1.26 -4.56 107.32 109.01 2qdl s GLY 73 Ca 0.57 -3.60 0.00 0.00 0.00 0.00 0.00 44.72 41.69 2qdl s GLY 73 CO 0.26 1.28 0.00 0.28 0.00 0.00 0.00 173.10 174.92 2qdl n LYS 74 N 3.24 3.96 0.00 2.90 4.76 -1.26 -4.99 118.16 126.76 2qdl n LYS 74 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 2qdl n LYS 74 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 2qdl n LYS 74 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qdl n ARG 75 N 0.00 0.00 0.00 1.97 1.74 -1.26 -5.12 116.66 113.99 2qdl n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qdl n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2qdl n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qdl n GLY 76 N 4.44 0.50 0.00 -0.13 0.00 -1.26 -5.08 105.19 103.66 2qdl n GLY 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qdl n GLY 76 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qdl n LYS 77 N 0.00 1.92 -4.27 1.61 2.85 -1.26 -5.10 118.16 113.91 2qdl n LYS 77 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 2qdl n LYS 77 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 2qdl n LYS 77 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2qdl s SER 78 N -0.94 1.00 0.60 -5.58 0.15 -1.26 -5.02 113.70 102.66 2qdl s SER 78 Ca 0.00 -1.51 0.37 0.00 0.70 0.00 0.00 55.95 55.50 2qdl s SER 78 Cb 0.00 0.39 1.91 0.00 -1.71 0.00 0.00 66.02 66.62 2qdl s SER 78 CO 0.00 -0.89 2.21 0.50 1.20 0.00 0.00 173.24 176.27 2qdl h LYS 79 N 2.37 0.00 -0.01 5.44 3.64 -2.02 -2.09 116.57 123.90 2qdl h LYS 79 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 2qdl h LYS 79 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2qdl h LYS 79 CO 0.50 0.03 -0.06 -0.25 -2.27 0.00 0.00 179.45 177.40 2qdl n ASP 80 N -3.32 1.42 -4.76 4.20 9.92 -1.26 -4.95 116.55 117.80 2qdl n ASP 80 Ca -0.02 -1.36 -0.41 0.00 -0.53 0.00 0.00 54.79 52.46 2qdl n ASP 80 Cb 0.16 0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 40.66 2qdl n ASP 80 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2qdl s SER 81 N -2.12 6.50 0.09 -2.24 0.15 -0.79 -3.85 113.70 111.44 2qdl s SER 81 Ca 0.34 2.86 0.02 0.00 0.70 0.00 0.00 55.95 59.87 2qdl s SER 81 Cb 0.21 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 2qdl s SER 81 CO 0.38 -0.80 -0.08 -0.13 1.20 0.00 0.00 173.24 173.81 2qdl s ARG 82 N -0.94 0.80 -0.23 5.44 1.81 -0.63 -4.76 118.95 120.44 2qdl s ARG 82 Ca 0.58 -1.21 -0.06 0.00 -1.72 0.00 0.00 55.73 53.32 2qdl s ARG 82 Cb -0.45 -0.31 -0.02 0.00 -0.45 0.00 0.00 34.95 33.72 2qdl s ARG 82 CO 0.50 0.02 0.03 0.42 -0.68 0.00 0.00 175.30 175.59 2qdl s ILE 83 N -3.00 4.00 -0.22 1.52 1.01 -0.51 -1.07 121.20 122.94 2qdl s ILE 83 Ca 0.07 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.26 2qdl s ILE 83 Cb 0.01 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 2qdl s ILE 83 CO -0.03 0.37 0.50 -0.63 0.00 0.00 0.00 174.94 175.16 2qdl s ILE 84 N 1.49 5.11 -0.29 2.92 1.01 0.30 -1.02 121.20 130.71 2qdl s ILE 84 Ca 0.06 0.89 -0.22 0.00 0.00 0.00 0.00 60.65 61.39 2qdl s ILE 84 Cb -0.15 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2qdl s ILE 84 CO 0.01 0.17 0.69 -0.63 0.00 0.00 0.00 174.94 175.18 2qdl s ILE 85 N 1.75 4.89 0.45 2.92 -1.09 0.62 -0.50 121.20 130.25 2qdl s ILE 85 Ca 0.22 1.05 0.04 0.00 -2.23 0.00 0.00 60.65 59.73 2qdl s ILE 85 Cb -0.15 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 2qdl s ILE 85 CO 0.09 -0.15 0.02 0.68 -1.23 0.00 0.00 174.94 174.35 2qdl s VAL 86 N 2.73 1.39 -0.18 2.92 -7.23 -0.46 0.23 120.40 119.80 2qdl s VAL 86 Ca 0.28 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2qdl s VAL 86 Cb -0.15 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2qdl s VAL 86 CO 0.11 0.00 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.11 2qdl s GLU 87 N -3.81 3.33 -0.12 4.82 2.12 -1.18 -1.84 118.70 122.03 2qdl s GLU 87 Ca 0.19 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.85 2qdl s GLU 87 Cb 0.05 -2.81 0.02 0.00 0.26 0.00 0.00 34.13 31.65 2qdl s GLU 87 CO 0.10 -0.05 -0.11 0.42 -0.54 0.00 0.00 175.26 175.08 2qdl s ILE 88 N 1.03 1.29 -1.55 -3.70 1.01 0.13 -4.78 121.20 114.64 2qdl s ILE 88 Ca -0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 2qdl s ILE 88 Cb -0.15 -1.24 0.09 0.00 0.01 0.00 0.00 42.46 41.17 2qdl s ILE 88 CO -0.01 0.41 0.92 0.18 0.00 0.00 0.00 174.94 176.44 2qdl n LEU 89 N 4.70 -2.42 0.00 2.97 4.77 -1.26 -0.38 117.00 125.38 2qdl n LEU 89 Ca -0.16 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 2qdl n LEU 89 Cb 0.50 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 2qdl n LEU 89 CO 0.20 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 2qdl n GLY 90 N -1.64 0.34 3.45 -0.72 0.00 -1.26 -5.00 105.19 100.36 2qdl n GLY 90 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2qdl n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qdl s GLN 91 N -0.63 1.69 0.20 1.61 -1.52 0.49 -5.11 119.66 116.39 2qdl s GLN 91 Ca 0.00 -1.21 -0.30 0.00 -1.95 0.00 0.00 55.36 51.90 2qdl s GLN 91 Cb 0.00 -2.05 -0.08 0.00 -0.22 0.00 0.00 33.01 30.66 2qdl s GLN 91 CO 0.00 0.48 1.01 0.15 -0.25 0.00 0.00 175.29 176.68 2qdl s LYS 92 N -2.01 4.72 0.03 2.91 1.02 -1.26 0.19 119.74 125.34 2qdl s LYS 92 Ca 0.16 1.60 -0.01 0.00 0.02 0.00 0.00 55.97 57.74 2qdl s LYS 92 Cb -0.10 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2qdl s LYS 92 CO 0.08 0.29 -0.02 0.00 -0.92 0.00 0.00 175.35 174.77 2qdl s ALA 93 N -0.69 0.25 -0.06 5.17 0.00 -0.76 -4.39 121.76 121.27 2qdl s ALA 93 Ca 0.45 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2qdl s ALA 93 Cb -0.27 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2qdl s ALA 93 CO 0.34 -0.24 -0.10 0.20 0.00 0.00 0.00 175.76 175.96 2qdl s GLY 94 N -2.02 1.63 -0.18 0.00 0.00 0.49 -1.35 107.32 105.90 2qdl s GLY 94 Ca -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.74 2qdl s GLY 94 CO -0.04 -0.68 -0.17 1.08 0.00 0.00 0.00 173.10 173.29 2qdl s LEU 95 N -0.73 2.10 -0.07 0.66 1.43 0.35 -0.98 118.68 121.44 2qdl s LEU 95 Ca 0.11 -0.68 -0.28 0.00 -1.03 0.00 0.00 54.13 52.25 2qdl s LEU 95 Cb -0.11 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 2qdl s LEU 95 CO 0.01 -0.05 0.91 -0.63 0.23 0.00 0.00 176.35 176.83 2qdl s ILE 96 N 1.35 4.88 0.09 -0.59 1.01 -0.20 -0.54 121.20 127.19 2qdl s ILE 96 Ca 0.03 1.87 0.06 0.00 0.00 0.00 0.00 60.65 62.61 2qdl s ILE 96 Cb -0.14 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 2qdl s ILE 96 CO -0.11 0.11 -0.16 0.68 0.00 0.00 0.00 174.94 175.45 2qdl s VAL 97 N 1.48 1.35 0.45 2.92 -7.23 -0.23 -3.22 120.40 115.91 2qdl s VAL 97 Ca 0.46 -1.45 0.11 0.00 -1.81 0.00 0.00 61.98 59.29 2qdl s VAL 97 Cb -0.19 -1.30 0.24 0.00 0.56 0.00 0.00 36.38 35.69 2qdl s VAL 97 CO 0.20 -0.20 2.06 0.44 -0.31 0.00 0.00 175.10 177.29 2qdl h ASP 98 N 4.09 0.22 -2.67 4.85 3.32 -1.69 -1.67 116.42 122.88 2qdl h ASP 98 Ca -0.42 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 56.74 2qdl h ASP 98 Cb 1.19 -0.06 -0.29 0.00 0.22 0.00 0.00 39.33 40.39 2qdl h ASP 98 CO 0.42 0.22 0.64 0.00 -1.72 0.00 0.00 179.24 178.79 2qdl s ALA 99 N -5.13 -2.13 -0.14 3.45 0.00 -1.22 -2.82 121.76 113.78 2qdl s ALA 99 Ca -0.06 1.82 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 2qdl s ALA 99 Cb 0.17 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 2qdl s ALA 99 CO 0.71 -0.19 0.31 0.08 0.00 0.00 0.00 175.76 176.67 2qdl s VAL 100 N 0.26 5.28 0.00 0.00 1.01 -1.26 -1.29 120.40 124.40 2qdl s VAL 100 Ca 0.04 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2qdl s VAL 100 Cb -0.05 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.69 2qdl s VAL 100 CO -0.11 0.42 0.00 1.41 0.00 0.00 0.00 175.10 176.82 2qdl n HIS 101 N 3.31 0.00 -3.33 5.22 8.25 0.17 -4.97 115.22 123.87 2qdl n HIS 101 Ca -0.12 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.13 2qdl n HIS 101 Cb 0.52 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.65 2qdl n HIS 101 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2qdl s GLU 102 N 3.01 2.42 -0.29 -0.41 1.03 -1.26 -4.81 118.70 118.39 2qdl s GLU 102 Ca 0.00 -1.65 -0.06 0.00 0.03 0.00 0.00 54.97 53.29 2qdl s GLU 102 Cb 0.00 -2.48 0.01 0.00 -0.80 0.00 0.00 34.13 30.86 2qdl s GLU 102 CO 0.00 -0.58 0.07 0.08 -1.33 0.00 0.00 175.26 173.49 2qdl s VAL 103 N -2.61 3.86 -0.13 1.83 1.01 -1.26 -0.74 120.40 122.37 2qdl s VAL 103 Ca 0.51 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2qdl s VAL 103 Cb -0.05 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2qdl s VAL 103 CO 0.32 0.08 -0.15 -0.63 0.00 0.00 0.00 175.10 174.72 2qdl s ILE 104 N 1.48 2.85 -0.07 2.22 1.01 -0.23 -4.87 121.20 123.59 2qdl s ILE 104 Ca 0.02 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 2qdl s ILE 104 Cb -0.17 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 2qdl s ILE 104 CO 0.02 0.53 1.10 -2.16 0.00 0.00 0.00 174.94 174.43 2qdl s PRO 105 N 0.43 4.40 -0.09 2.79 0.04 -1.26 -0.60 135.00 140.72 2qdl s PRO 105 Ca -0.11 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2qdl s PRO 105 Cb -0.16 -3.53 0.02 0.00 0.04 0.00 0.00 34.50 30.87 2qdl s PRO 105 CO 0.05 -0.35 -0.07 0.42 0.04 0.00 0.00 177.00 177.09 2qdl s ILE 106 N 1.97 0.93 0.36 0.56 1.01 0.54 -4.90 121.20 121.67 2qdl s ILE 106 Ca 0.52 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 2qdl s ILE 106 Cb -0.22 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 2qdl s ILE 106 CO 0.21 0.34 1.14 1.51 0.00 0.00 0.00 174.94 178.14 2qdl s ASP 107 N 1.43 6.79 0.50 3.58 1.47 -1.26 -0.41 116.67 128.77 2qdl s ASP 107 Ca -0.01 2.30 0.42 0.00 1.18 0.00 0.00 52.55 56.44 2qdl s ASP 107 Cb -0.13 -2.62 1.61 0.00 -0.34 0.00 0.00 42.92 41.44 2qdl s ASP 107 CO -0.04 -0.49 1.54 1.21 0.68 0.00 0.00 175.17 178.07 2qdl n GLU 108 N 0.42 -0.02 0.18 2.11 4.07 -1.26 -0.40 120.64 125.74 2qdl n GLU 108 Ca 0.03 1.15 0.12 0.00 -0.06 0.00 0.00 57.16 58.39 2qdl n GLU 108 Cb 0.46 -2.46 0.26 0.00 -0.06 0.00 0.00 31.44 29.64 2qdl n GLU 108 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2qdl h ASN 109 N 0.00 0.00 -0.12 4.31 2.35 -2.01 -3.07 115.58 117.04 2qdl h ASN 109 Ca 0.90 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.65 2qdl h ASN 109 Cb 3.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 41.69 2qdl h ASN 109 CO -0.21 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.37 2qdl n SER 110 N -2.80 1.30 -4.17 5.81 7.64 0.47 -4.73 113.62 117.13 2qdl n SER 110 Ca 0.05 -1.62 -0.34 0.00 1.01 0.00 0.00 58.87 57.96 2qdl n SER 110 Cb 0.49 -0.07 -0.14 0.00 -1.01 0.00 0.00 64.21 63.48 2qdl n SER 110 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qdl s ILE 111 N -1.85 2.86 0.23 0.44 1.01 -1.16 -2.48 121.20 120.24 2qdl s ILE 111 Ca 0.32 -1.29 0.05 0.00 0.00 0.00 0.00 60.65 59.74 2qdl s ILE 111 Cb 0.17 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2qdl s ILE 111 CO 0.26 0.01 0.29 -1.83 0.00 0.00 0.00 174.94 173.67 2qdl s GLU 112 N 1.26 3.27 0.75 2.79 -1.05 -0.91 -4.89 118.70 119.92 2qdl s GLU 112 Ca -0.04 -0.83 -0.15 0.00 -0.15 0.00 0.00 54.97 53.80 2qdl s GLU 112 Cb -0.19 -2.79 0.04 0.00 -0.44 0.00 0.00 34.13 30.75 2qdl s GLU 112 CO -0.03 0.43 1.16 -2.30 0.95 0.00 0.00 175.26 175.48 2qdl n PRO 113 N -1.21 0.49 -2.34 -4.83 -0.02 -1.26 -1.59 135.00 124.25 2qdl n PRO 113 Ca -0.08 0.23 -0.34 0.00 -2.02 0.00 0.00 63.50 61.29 2qdl n PRO 113 Cb 0.57 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 2qdl n PRO 113 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2qdl s PRO 114 N -3.74 3.51 0.91 0.52 0.02 -1.26 -4.59 135.00 130.37 2qdl s PRO 114 Ca 0.76 1.46 -0.11 0.00 0.02 0.00 0.00 61.00 63.13 2qdl s PRO 114 Cb -0.33 -2.04 0.14 0.00 0.02 0.00 0.00 34.50 32.29 2qdl s PRO 114 CO 0.48 -0.69 1.11 -1.25 -0.33 0.00 0.00 177.00 176.32 2qdl s PRO 115 N -3.37 1.07 0.37 5.54 0.04 -1.26 -4.93 135.00 132.47 2qdl s PRO 115 Ca 0.69 1.25 0.11 0.00 0.04 0.00 0.00 61.00 63.09 2qdl s PRO 115 Cb -0.20 -1.76 0.87 0.00 0.04 0.00 0.00 34.50 33.46 2qdl s PRO 115 CO 0.25 -2.49 1.88 -1.35 0.04 0.00 0.00 177.00 175.33 2qdl h PRO 116 N -1.75 0.61 -4.89 0.56 0.11 -2.03 -3.36 132.00 121.24 2qdl h PRO 116 Ca -0.47 -0.04 -0.63 0.00 0.11 0.00 0.00 66.00 64.97 2qdl h PRO 116 Cb 1.27 -0.14 -0.35 0.00 0.11 0.00 0.00 31.00 31.89 2qdl h PRO 116 CO 0.47 0.40 -0.85 0.08 -0.21 0.00 0.00 178.00 177.90 2qdl s VAL 117 N -5.62 1.80 0.58 3.15 1.01 -1.26 -4.90 120.40 115.16 2qdl s VAL 117 Ca -0.09 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.19 2qdl s VAL 117 Cb 0.22 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 35.04 2qdl s VAL 117 CO 0.78 0.50 0.72 0.42 0.00 0.00 0.00 175.10 177.52 2qdl s THR 118 N 1.27 1.97 0.17 3.92 -4.23 -1.26 -5.03 115.64 112.45 2qdl s THR 118 Ca 0.02 -1.11 -0.07 0.00 -1.18 0.00 0.00 61.69 59.35 2qdl s THR 118 Cb -0.13 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.59 2qdl s THR 118 CO -0.09 0.00 1.51 0.71 -0.54 0.00 0.00 174.62 176.21 2qdl h THR 119 N 0.27 1.29 -5.23 3.99 1.35 -2.00 -3.44 112.91 109.14 2qdl h THR 119 Ca -0.31 -1.60 -0.32 0.00 -0.55 0.00 0.00 66.41 63.63 2qdl h THR 119 Cb 1.29 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.19 2qdl h THR 119 CO 0.44 0.52 -0.12 2.30 -0.25 0.00 0.00 175.52 178.41 2qdl n ILE 120 N -4.03 0.00 -1.76 6.82 -5.35 -1.26 -5.07 119.36 108.70 2qdl n ILE 120 Ca -0.02 -1.24 -0.41 0.00 -0.27 0.00 0.00 62.75 60.80 2qdl n ILE 120 Cb 0.55 -0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 38.07 2qdl n ILE 120 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2qdl n ASP 121 N -2.12 3.89 0.16 7.28 -0.08 -1.26 -4.88 116.55 119.55 2qdl n ASP 121 Ca 0.02 1.17 0.18 0.00 -1.51 0.00 0.00 54.79 54.65 2qdl n ASP 121 Cb 0.36 -1.61 0.79 0.00 2.34 0.00 0.00 41.12 43.01 2qdl n ASP 121 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2qdl h THR 122 N 3.23 0.48 0.00 5.18 1.35 -1.90 -1.01 112.91 120.24 2qdl h THR 122 Ca -0.48 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 2qdl h THR 122 Cb 1.23 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.43 2qdl h THR 122 CO 0.74 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.98 2qdl h ALA 123 N 1.70 1.14 -0.30 6.62 0.00 -1.99 -3.20 119.26 123.23 2qdl h ALA 123 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qdl h ALA 123 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2qdl h ALA 123 CO -0.00 0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.49 2qdl n PHE 124 N -3.33 0.40 -4.45 0.00 3.72 -0.38 -4.63 117.46 108.79 2qdl n PHE 124 Ca -0.02 -0.31 -0.33 0.00 -0.05 0.00 0.00 57.45 56.74 2qdl n PHE 124 Cb 0.18 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.55 2qdl n PHE 124 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2qdl s VAL 125 N -1.10 2.40 -0.15 -4.37 1.01 -1.21 -0.83 120.40 116.14 2qdl s VAL 125 Ca 0.27 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 2qdl s VAL 125 Cb 0.15 -2.00 -0.23 0.00 0.00 0.00 0.00 36.38 34.29 2qdl s VAL 125 CO 0.21 0.52 0.33 -0.08 0.00 0.00 0.00 175.10 176.08 2qdl h GLU 126 N 7.50 0.15 -2.44 2.72 4.57 0.84 -3.42 114.58 124.49 2qdl h GLU 126 Ca -0.36 -0.26 0.16 0.00 -1.18 0.00 0.00 59.36 57.73 2qdl h GLU 126 Cb 1.18 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 29.79 2qdl h GLU 126 CO 0.58 1.12 0.44 0.20 -1.18 0.00 0.00 179.01 180.18 2qdl s GLY 127 N -5.17 -0.22 -0.24 1.92 0.00 -1.04 -4.33 107.32 98.24 2qdl s GLY 127 Ca -0.25 0.08 0.02 0.00 0.00 0.00 0.00 44.72 44.57 2qdl s GLY 127 CO 0.69 -0.00 -0.10 -0.42 0.00 0.00 0.00 173.10 173.27 2qdl s ILE 128 N -3.38 1.89 -0.17 0.90 -1.09 -0.62 -1.16 121.20 117.57 2qdl s ILE 128 Ca 0.12 -1.37 -0.09 0.00 -2.23 0.00 0.00 60.65 57.08 2qdl s ILE 128 Cb -0.02 -2.02 -0.05 0.00 -1.58 0.00 0.00 42.46 38.79 2qdl s ILE 128 CO 0.03 0.02 0.14 0.00 -1.23 0.00 0.00 174.94 173.90 2qdl s ALA 129 N 1.24 3.76 -0.13 9.38 0.00 0.29 -2.13 121.76 134.18 2qdl s ALA 129 Ca -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2qdl s ALA 129 Cb -0.19 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2qdl s ALA 129 CO -0.06 0.34 -0.13 0.15 0.00 0.00 0.00 175.76 176.05 2qdl s LYS 130 N -0.18 2.07 -0.08 0.00 1.02 -1.03 -0.04 119.74 121.49 2qdl s LYS 130 Ca 0.11 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 2qdl s LYS 130 Cb -0.11 -1.90 0.10 0.00 -0.52 0.00 0.00 37.83 35.39 2qdl s LYS 130 CO 0.00 -0.19 0.82 -0.08 -0.92 0.00 0.00 175.35 174.98 2qdl s THR 131 N 1.38 0.00 -1.51 2.17 -1.32 -0.45 -4.89 115.64 111.02 2qdl s THR 131 Ca 0.01 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.47 2qdl s THR 131 Cb -0.13 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.88 2qdl s THR 131 CO -0.07 0.00 0.25 0.47 -2.21 0.00 0.00 174.62 173.06 2qdl n ASP 132 N 0.71 0.05 -0.20 8.08 8.00 -1.26 0.60 116.55 132.53 2qdl n ASP 132 Ca -0.15 -1.15 -0.02 0.00 0.71 0.00 0.00 54.79 54.19 2qdl n ASP 132 Cb 0.58 -2.28 -0.01 0.00 -0.02 0.00 0.00 41.12 39.39 2qdl n ASP 132 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qdl n ASP 133 N -2.90 -4.14 -4.90 -2.24 -0.08 -1.26 -4.96 116.55 96.08 2qdl n ASP 133 Ca -0.28 0.05 -0.32 0.00 -1.51 0.00 0.00 54.79 52.73 2qdl n ASP 133 Cb 0.67 -2.73 -0.05 0.00 2.34 0.00 0.00 41.12 41.36 2qdl n ASP 133 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2qdl s LYS 134 N -1.65 3.55 -0.13 -0.67 1.02 0.20 -5.11 119.74 116.95 2qdl s LYS 134 Ca 0.00 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.80 2qdl s LYS 134 Cb 0.00 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.34 2qdl s LYS 134 CO 0.00 0.56 -0.18 1.41 -0.92 0.00 0.00 175.35 176.21 2qdl s MET 135 N -2.40 3.18 -0.10 1.68 -2.45 -1.26 -1.34 119.30 116.61 2qdl s MET 135 Ca 0.36 -0.79 0.03 0.00 -1.25 0.00 0.00 55.69 54.03 2qdl s MET 135 Cb -0.13 -2.50 0.01 0.00 1.25 0.00 0.00 34.83 33.47 2qdl s MET 135 CO 0.24 0.11 -0.17 0.42 1.05 0.00 0.00 175.02 176.67 2qdl s ILE 136 N 0.55 1.59 -0.35 10.11 1.01 0.94 -4.53 121.20 130.51 2qdl s ILE 136 Ca -0.11 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 2qdl s ILE 136 Cb -0.16 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.90 2qdl s ILE 136 CO 0.04 0.46 0.83 -0.63 0.00 0.00 0.00 174.94 175.64 2qdl s ILE 137 N 0.70 4.70 -0.34 2.92 1.01 -1.11 -0.54 121.20 128.54 2qdl s ILE 137 Ca -0.12 1.05 -0.27 0.00 0.00 0.00 0.00 60.65 61.31 2qdl s ILE 137 Cb -0.16 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.09 2qdl s ILE 137 CO 0.03 -0.43 0.98 -0.63 0.00 0.00 0.00 174.94 174.89 2qdl s ILE 138 N 3.19 4.57 0.30 2.92 -1.09 -0.31 0.27 121.20 131.05 2qdl s ILE 138 Ca 0.34 1.45 -0.22 0.00 -2.23 0.00 0.00 60.65 59.99 2qdl s ILE 138 Cb -0.13 -4.35 -0.09 0.00 -1.58 0.00 0.00 42.46 36.31 2qdl s ILE 138 CO 0.16 -0.48 0.84 0.27 -1.23 0.00 0.00 174.94 174.51 2qdl s ILE 139 N 3.51 4.41 -0.11 2.92 -4.36 -0.78 0.13 121.20 126.92 2qdl s ILE 139 Ca 0.41 1.49 -0.17 0.00 -0.26 0.00 0.00 60.65 62.12 2qdl s ILE 139 Cb -0.12 -3.86 -0.04 0.00 1.25 0.00 0.00 42.46 39.68 2qdl s ILE 139 CO 0.16 0.07 0.45 -0.75 0.24 0.00 0.00 174.94 175.12 2qdl s LYS 140 N -2.26 4.28 0.09 0.37 2.20 -0.01 -4.40 119.74 120.01 2qdl s LYS 140 Ca 0.49 0.41 0.09 0.00 -0.36 0.00 0.00 55.97 56.60 2qdl s LYS 140 Cb -0.16 -3.41 -0.20 0.00 -1.51 0.00 0.00 37.83 32.56 2qdl s LYS 140 CO 0.21 0.24 1.13 -0.07 -0.36 0.00 0.00 175.35 176.50 2qdl h LEU 141 N 6.43 0.00 -0.74 5.43 3.38 -1.90 -3.41 115.31 124.51 2qdl h LEU 141 Ca -0.42 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.71 2qdl h LEU 141 Cb 1.18 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 2qdl h LEU 141 CO 0.74 0.96 -0.07 -0.74 0.09 0.00 0.00 178.44 179.42 2qdl h HIS 142 N 0.00 -0.18 -0.46 1.13 2.76 -1.94 -2.42 115.15 114.04 2qdl h HIS 142 Ca -0.08 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2qdl h HIS 142 Cb 1.80 0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.96 2qdl h HIS 142 CO 0.00 -0.27 0.00 1.19 -1.30 0.00 0.00 177.93 177.55 2qdl n PHE 143 N -5.40 0.60 -0.11 5.26 3.72 -1.26 -4.62 117.46 115.64 2qdl n PHE 143 Ca 0.12 -0.33 0.08 0.00 -0.05 0.00 0.00 57.45 57.28 2qdl n PHE 143 Cb 0.43 -0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.40 2qdl n PHE 143 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2qdl h LEU 144 N 4.09 0.51 -2.32 4.37 3.38 -1.68 -1.56 115.31 122.11 2qdl h LEU 144 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qdl h LEU 144 Cb 0.94 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2qdl h LEU 144 CO 0.00 0.33 0.00 0.49 0.09 0.00 0.00 178.44 179.35 2qdl n PHE 145 N -4.48 0.47 -3.09 1.13 3.72 -1.26 -4.92 117.46 109.03 2qdl n PHE 145 Ca 0.09 -0.24 -0.43 0.00 -0.05 0.00 0.00 57.45 56.82 2qdl n PHE 145 Cb 0.25 -0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 2qdl n PHE 145 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2qdl s GLU 146 N -1.49 3.34 -0.40 -1.08 2.12 -0.59 -0.25 118.70 120.36 2qdl s GLU 146 Ca 0.38 -0.29 -0.06 0.00 0.36 0.00 0.00 54.97 55.35 2qdl s GLU 146 Cb 0.22 -3.93 0.08 0.00 0.26 0.00 0.00 34.13 30.76 2qdl s GLU 146 CO 0.31 -0.99 0.20 0.08 -0.54 0.00 0.00 175.26 174.33 2qdl s VAL 147 N 2.86 3.80 -1.21 3.70 1.01 0.65 -4.67 120.40 126.54 2qdl s VAL 147 Ca 0.24 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.51 2qdl s VAL 147 Cb -0.14 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 2qdl s VAL 147 CO 0.19 -0.49 0.70 -3.20 0.00 0.00 0.00 175.10 172.30 2qdl n ASN 148 N 4.79 -3.82 0.00 3.32 5.15 -1.26 -2.05 115.26 121.39 2qdl n ASN 148 Ca -0.09 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 2qdl n ASN 148 Cb 0.43 -3.30 0.00 0.00 -0.53 0.00 0.00 39.78 36.38 2qdl n ASN 148 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qdl n GLY 149 N -1.76 3.01 3.54 8.20 0.00 -1.26 -5.03 105.19 111.90 2qdl n GLY 149 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2qdl n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qdl s LYS 150 N -0.24 3.55 -0.28 1.61 1.02 -0.87 -5.05 119.74 119.48 2qdl s LYS 150 Ca 0.00 -0.49 -0.28 0.00 0.02 0.00 0.00 55.97 55.22 2qdl s LYS 150 Cb 0.00 -2.91 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 2qdl s LYS 150 CO 0.00 0.34 1.95 -1.21 -0.92 0.00 0.00 175.35 175.51 2qdl s GLU 151 N 0.11 3.28 -0.24 1.68 0.41 -1.26 -0.25 118.70 122.43 2qdl s GLU 151 Ca -0.00 1.67 -0.24 0.00 -0.41 0.00 0.00 54.97 55.99 2qdl s GLU 151 Cb -0.13 -4.26 -0.01 0.00 -1.78 0.00 0.00 34.13 27.95 2qdl s GLU 151 CO 0.02 -1.93 0.79 1.41 -0.49 0.00 0.00 175.26 175.06 2qdl s MET 152 N 5.88 4.18 0.00 1.61 -2.45 0.65 -4.24 119.30 124.93 2qdl s MET 152 Ca 0.87 0.86 0.00 0.00 -1.25 0.00 0.00 55.69 56.18 2qdl s MET 152 Cb -0.27 -3.64 0.00 0.00 1.25 0.00 0.00 34.83 32.17 2qdl s MET 152 CO 0.34 -0.48 0.00 1.28 1.05 0.00 0.00 175.02 177.21 2qdl n LEU 153 N 5.89 0.00 -4.79 4.11 4.77 -1.26 -4.91 117.00 120.81 2qdl n LEU 153 Ca 0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.65 2qdl n LEU 153 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2qdl n LEU 153 CO 0.46 0.00 0.58 -0.22 -1.33 0.00 0.00 177.39 176.89 2qdl s LEU 154 N 0.00 4.35 0.00 2.23 2.96 -1.26 -4.89 118.68 122.07 2qdl s LEU 154 Ca 0.00 1.72 0.26 0.00 -0.22 0.00 0.00 54.13 55.90 2qdl s LEU 154 Cb 0.00 -3.88 0.71 0.00 0.50 0.00 0.00 46.19 43.52 2qdl s LEU 154 CO 0.00 -0.03 1.56 -3.20 -1.32 0.00 0.00 176.35 173.35