#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxd n LEU 7 N 0.00 0.62 -0.03 2.45 7.94 -1.26 -4.32 117.00 122.41 1xxd n LEU 7 Ca 0.00 0.26 -0.16 0.00 -1.11 0.00 0.00 56.01 55.00 1xxd n LEU 7 Cb 0.00 0.07 -0.08 0.00 0.53 0.00 0.00 43.42 43.94 1xxd n LEU 7 CO 0.00 0.07 0.35 -0.33 -1.11 0.00 0.00 177.39 176.37 1xxd h GLU 8 N 0.00 0.57 -1.43 1.96 3.07 -1.92 -3.18 114.58 113.65 1xxd h GLU 8 Ca -0.13 -0.46 0.48 0.00 -0.50 0.00 0.00 59.36 58.74 1xxd h GLU 8 Cb 1.41 0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 29.28 1xxd h GLU 8 CO 0.02 1.09 0.93 1.57 -1.40 0.00 0.00 179.01 181.22 1xxd h LYS 9 N 0.20 0.01 0.02 2.33 2.10 -2.02 1.13 116.57 120.34 1xxd h LYS 9 Ca -0.04 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.51 1xxd h LYS 9 Cb 1.19 -0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1xxd h LYS 9 CO 0.11 0.01 -0.42 0.82 -2.00 0.00 0.00 179.45 177.98 1xxd h ILE 10 N 0.01 1.53 -1.92 0.07 2.04 -1.80 -3.48 117.51 113.97 1xxd h ILE 10 Ca 0.88 -2.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.60 1xxd h ILE 10 Cb 2.89 2.85 -0.20 0.00 -0.74 0.00 0.00 36.82 41.62 1xxd h ILE 10 CO -0.43 0.59 0.25 0.00 0.00 0.00 0.00 178.15 178.56 1xxd s ALA 11 N -2.95 -1.81 0.00 1.87 0.00 0.39 -5.03 121.76 114.23 1xxd s ALA 11 Ca -0.15 1.51 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 1xxd s ALA 11 Cb 0.01 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.68 1xxd s ALA 11 CO 0.77 -0.35 1.30 -2.30 0.00 0.00 0.00 175.76 175.18 1xxd n PRO 12 N 1.26 0.54 -1.67 0.00 -0.02 -1.25 -4.07 135.00 129.79 1xxd n PRO 12 Ca -0.17 -0.25 -0.44 0.00 -2.02 0.00 0.00 63.50 60.63 1xxd n PRO 12 Cb 0.57 -1.61 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 1xxd n PRO 12 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xxd n TYR 13 N 2.72 2.50 -0.40 6.00 4.01 -1.26 -4.95 117.16 125.78 1xxd n TYR 13 Ca 0.11 -0.20 -0.22 0.00 -0.16 0.00 0.00 57.90 57.42 1xxd n TYR 13 Cb 0.25 -2.74 0.21 0.00 -0.31 0.00 0.00 39.34 36.74 1xxd n TYR 13 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xxd n PRO 14 N 6.59 -3.37 -3.90 -0.72 -0.04 -1.26 -4.93 135.00 127.37 1xxd n PRO 14 Ca 0.20 -1.00 -0.24 0.00 -0.04 0.00 0.00 63.50 62.42 1xxd n PRO 14 Cb 0.37 -1.65 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 1xxd n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xxd s GLN 15 N -4.12 2.32 0.09 0.54 -1.52 -1.26 -5.07 119.66 110.63 1xxd s GLN 15 Ca 0.48 -1.84 -0.20 0.00 -1.95 0.00 0.00 55.36 51.84 1xxd s GLN 15 Cb -0.09 -2.12 -0.07 0.00 -0.22 0.00 0.00 33.01 30.52 1xxd s GLN 15 CO 0.41 -0.33 0.60 0.00 -0.25 0.00 0.00 175.29 175.72 1xxd s ALA 16 N -2.64 3.56 0.22 6.09 0.00 -1.26 -5.01 121.76 122.72 1xxd s ALA 16 Ca 0.39 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 1xxd s ALA 16 Cb -0.00 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 1xxd s ALA 16 CO 0.23 0.37 0.44 -1.21 0.00 0.00 0.00 175.76 175.59 1xxd s GLU 17 N -1.09 3.57 -0.78 0.00 2.02 -1.24 -4.95 118.70 116.25 1xxd s GLU 17 Ca 0.30 -0.19 -0.25 0.00 0.02 0.00 0.00 54.97 54.85 1xxd s GLU 17 Cb -0.20 -2.78 -0.17 0.00 0.10 0.00 0.00 34.13 31.08 1xxd s GLU 17 CO 0.20 0.36 2.47 1.17 0.02 0.00 0.00 175.26 179.48 1xxd n LYS 18 N -0.59 0.48 0.00 1.61 4.81 -1.26 -0.70 118.16 122.50 1xxd n LYS 18 Ca -0.03 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1xxd n LYS 18 Cb 0.53 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.06 1xxd n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xxd n GLY 19 N 6.23 0.58 3.60 3.14 0.00 -1.26 -5.08 105.19 112.40 1xxd n GLY 19 Ca 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.47 1xxd n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxd s MET 20 N 0.00 0.39 0.46 1.61 -1.94 0.12 -3.34 119.30 116.60 1xxd s MET 20 Ca 0.00 0.12 0.04 0.00 -1.71 0.00 0.00 55.69 54.14 1xxd s MET 20 Cb 0.00 0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.98 1xxd s MET 20 CO 0.00 -0.12 0.01 -1.59 -0.01 0.00 0.00 175.02 173.32 1xxd s LYS 21 N -0.97 2.06 -0.22 2.03 -2.85 0.28 -3.58 119.74 116.49 1xxd s LYS 21 Ca 0.02 -2.25 -0.05 0.00 -1.00 0.00 0.00 55.97 52.69 1xxd s LYS 21 Cb -0.01 -1.51 -0.02 0.00 -2.06 0.00 0.00 37.83 34.23 1xxd s LYS 21 CO -0.03 -0.23 0.01 0.50 0.10 0.00 0.00 175.35 175.70 1xxd s ARG 22 N -3.80 3.54 -0.01 1.78 3.52 -1.26 -2.11 118.95 120.60 1xxd s ARG 22 Ca 0.20 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 1xxd s ARG 22 Cb 0.05 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.27 1xxd s ARG 22 CO 0.10 -0.14 -0.03 -0.65 -0.81 0.00 0.00 175.30 173.78 1xxd s GLN 23 N 1.39 2.71 -0.04 5.12 -1.52 0.24 -4.98 119.66 122.59 1xxd s GLN 23 Ca 0.05 -0.63 0.01 0.00 -1.95 0.00 0.00 55.36 52.83 1xxd s GLN 23 Cb -0.15 -2.61 0.02 0.00 -0.22 0.00 0.00 33.01 30.05 1xxd s GLN 23 CO 0.01 0.62 -0.04 0.08 -0.25 0.00 0.00 175.29 175.71 1xxd s VAL 24 N -1.02 0.50 -0.25 1.09 1.01 -1.26 -0.72 120.40 119.75 1xxd s VAL 24 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1xxd s VAL 24 Cb -0.11 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1xxd s VAL 24 CO 0.08 0.20 -0.08 -0.63 0.00 0.00 0.00 175.10 174.67 1xxd s ILE 25 N 0.75 2.67 -0.53 2.22 1.01 -0.09 -4.96 121.20 122.28 1xxd s ILE 25 Ca -0.10 -1.15 -0.09 0.00 0.00 0.00 0.00 60.65 59.31 1xxd s ILE 25 Cb -0.13 -2.38 0.14 0.00 0.01 0.00 0.00 42.46 40.10 1xxd s ILE 25 CO 0.00 0.18 0.41 -1.10 0.00 0.00 0.00 174.94 174.43 1xxd s GLN 26 N 1.28 2.63 0.90 2.79 -1.52 -1.26 -1.38 119.66 123.10 1xxd s GLN 26 Ca -0.01 -1.93 -0.11 0.00 -1.95 0.00 0.00 55.36 51.36 1xxd s GLN 26 Cb -0.17 -3.98 0.14 0.00 -0.22 0.00 0.00 33.01 28.78 1xxd s GLN 26 CO -0.05 -1.21 1.11 -0.51 -0.25 0.00 0.00 175.29 174.38 1xxd s LEU 27 N 1.07 2.62 -0.18 2.90 1.43 -1.26 -5.00 118.68 120.25 1xxd s LEU 27 Ca 0.08 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 55.00 1xxd s LEU 27 Cb -0.24 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 1xxd s LEU 27 CO -0.02 -2.92 0.29 0.42 0.23 0.00 0.00 176.35 174.36 1xxd s THR 28 N -2.72 5.29 -0.02 5.49 -4.23 -1.26 -4.86 115.64 113.34 1xxd s THR 28 Ca 0.65 0.52 -0.37 0.00 -1.18 0.00 0.00 61.69 61.31 1xxd s THR 28 Cb -0.21 -3.63 -0.16 0.00 1.34 0.00 0.00 72.50 69.84 1xxd s THR 28 CO 0.58 0.35 1.49 -2.65 -0.54 0.00 0.00 174.62 173.85 1xxd n PRO 29 N 3.90 1.25 -4.32 3.99 -0.02 -1.26 -4.94 135.00 133.60 1xxd n PRO 29 Ca -0.12 0.45 -0.23 0.00 -2.02 0.00 0.00 63.50 61.59 1xxd n PRO 29 Cb 0.52 -2.12 -0.12 0.00 -0.02 0.00 0.00 33.50 31.76 1xxd n PRO 29 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xxd s GLN 30 N 1.49 1.22 0.12 -0.52 -1.52 -1.26 -5.05 119.66 114.14 1xxd s GLN 30 Ca 0.88 -1.31 -0.24 0.00 -1.95 0.00 0.00 55.36 52.75 1xxd s GLN 30 Cb -0.96 -1.37 -0.04 0.00 -0.22 0.00 0.00 33.01 30.42 1xxd s GLN 30 CO 0.52 0.30 1.66 0.93 -0.25 0.00 0.00 175.29 178.44 1xxd h GLU 31 N 3.59 -0.27 -3.94 2.91 5.08 -2.06 -3.35 114.58 116.54 1xxd h GLU 31 Ca -0.44 0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.29 1xxd h GLU 31 Cb 1.20 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 30.10 1xxd h GLU 31 CO 0.46 -0.18 -0.66 0.34 -1.00 0.00 0.00 179.01 177.97 1xxd s ASP 32 N -4.98 4.54 0.20 1.42 -1.08 -1.26 -4.93 116.67 110.58 1xxd s ASP 32 Ca -0.15 -2.64 0.26 0.00 -0.52 0.00 0.00 52.55 49.50 1xxd s ASP 32 Cb 0.09 -1.65 0.71 0.00 -1.46 0.00 0.00 42.92 40.62 1xxd s ASP 32 CO 0.67 -0.30 1.69 -0.33 0.52 0.00 0.00 175.17 177.41 1xxd h GLU 33 N 6.99 0.00 -0.41 4.34 5.08 -1.89 -3.31 114.58 125.38 1xxd h GLU 33 Ca -0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1xxd h GLU 33 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1xxd h GLU 33 CO 0.62 0.00 0.01 0.66 -1.00 0.00 0.00 179.01 179.30 1xxd h SER 34 N 0.00 0.62 -0.29 1.42 4.64 -1.92 -1.98 113.55 116.05 1xxd h SER 34 Ca 0.00 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 1xxd h SER 34 Cb 0.75 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 62.62 1xxd h SER 34 CO 0.00 0.68 0.13 0.35 -0.87 0.00 0.00 176.83 177.12 1xxd n THR 35 N -4.25 1.42 -4.25 2.95 -2.24 -1.25 -4.84 114.28 101.82 1xxd n THR 35 Ca 0.02 -0.60 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 1xxd n THR 35 Cb 0.27 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 1xxd n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xxd s LEU 36 N -1.08 2.30 -0.09 3.22 1.43 -0.74 -1.40 118.68 122.31 1xxd s LEU 36 Ca 0.20 -1.11 -0.27 0.00 -1.03 0.00 0.00 54.13 51.91 1xxd s LEU 36 Cb 0.16 -0.19 0.06 0.00 0.03 0.00 0.00 46.19 46.26 1xxd s LEU 36 CO 0.05 -0.48 0.63 -0.54 0.23 0.00 0.00 176.35 176.24 1xxd s LYS 37 N -3.85 0.94 -0.19 1.70 1.02 -0.27 -3.63 119.74 115.47 1xxd s LYS 37 Ca 0.21 0.35 -0.09 0.00 0.02 0.00 0.00 55.97 56.47 1xxd s LYS 37 Cb 0.05 0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 37.76 1xxd s LYS 37 CO 0.03 -0.26 0.09 0.08 -0.92 0.00 0.00 175.35 174.37 1xxd s VAL 38 N -0.86 5.05 -0.38 3.17 1.01 -0.51 0.53 120.40 128.40 1xxd s VAL 38 Ca -0.09 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 1xxd s VAL 38 Cb -0.02 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1xxd s VAL 38 CO 0.07 0.45 0.22 -0.70 0.00 0.00 0.00 175.10 175.14 1xxd s GLU 39 N 0.41 2.81 0.90 2.72 2.12 0.78 -1.48 118.70 126.97 1xxd s GLU 39 Ca 0.05 -1.10 -0.11 0.00 0.36 0.00 0.00 54.97 54.17 1xxd s GLU 39 Cb -0.12 -3.76 0.14 0.00 0.26 0.00 0.00 34.13 30.65 1xxd s GLU 39 CO -0.00 -0.72 1.11 -0.51 -0.54 0.00 0.00 175.26 174.59 1xxd s LEU 40 N 1.56 2.58 -0.45 2.70 1.43 -0.88 -0.47 118.68 125.15 1xxd s LEU 40 Ca 0.02 1.92 0.06 0.00 -1.03 0.00 0.00 54.13 55.10 1xxd s LEU 40 Cb -0.19 -4.33 0.19 0.00 0.03 0.00 0.00 46.19 41.88 1xxd s LEU 40 CO 0.07 -2.88 0.53 0.18 0.23 0.00 0.00 176.35 174.47 1xxd n LEU 41 N -4.08 -1.57 -4.67 1.79 4.77 0.26 -4.80 117.00 108.71 1xxd n LEU 41 Ca 0.09 -3.86 -0.39 0.00 -0.03 0.00 0.00 56.01 51.83 1xxd n LEU 41 Cb 0.53 0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 42.21 1xxd n LEU 41 CO 0.52 1.92 0.26 -0.63 -1.33 0.00 0.00 177.39 178.13 1xxd s ILE 42 N 0.23 5.10 0.00 -0.08 1.01 -1.26 -0.66 121.20 125.54 1xxd s ILE 42 Ca 0.32 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1xxd s ILE 42 Cb 0.06 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1xxd s ILE 42 CO -0.14 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1xxd n GLY 43 N 3.73 1.57 3.63 6.18 0.00 -1.02 -1.13 105.19 118.16 1xxd n GLY 43 Ca -0.04 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1xxd n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xxd s GLN 44 N 1.73 0.67 0.16 1.61 -2.07 -1.06 -1.46 119.66 119.24 1xxd s GLN 44 Ca 0.00 0.77 -0.31 0.00 -1.82 0.00 0.00 55.36 54.00 1xxd s GLN 44 Cb 0.00 0.33 -0.09 0.00 -1.09 0.00 0.00 33.01 32.15 1xxd s GLN 44 CO 0.00 -0.09 1.51 0.99 -1.32 0.00 0.00 175.29 176.38 1xxd s THR 45 N 0.25 2.83 0.05 3.63 2.01 -1.26 -3.39 115.64 119.76 1xxd s THR 45 Ca 0.01 0.60 -0.13 0.00 0.31 0.00 0.00 61.69 62.49 1xxd s THR 45 Cb -0.05 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.09 1xxd s THR 45 CO -0.02 0.05 0.28 -0.76 -0.69 0.00 0.00 174.62 173.48 1xxd s LEU 46 N 1.03 0.98 -0.87 4.42 1.43 -0.65 -4.96 118.68 120.05 1xxd s LEU 46 Ca 0.68 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 53.31 1xxd s LEU 46 Cb -0.42 1.29 0.14 0.00 0.03 0.00 0.00 46.19 47.24 1xxd s LEU 46 CO 0.32 -0.64 1.03 -1.61 0.23 0.00 0.00 176.35 175.68 1xxd s GLU 47 N -2.80 3.53 0.45 1.70 2.02 -1.26 -2.68 118.70 119.66 1xxd s GLU 47 Ca -0.03 -1.77 0.06 0.00 0.02 0.00 0.00 54.97 53.25 1xxd s GLU 47 Cb 0.00 -4.75 0.06 0.00 0.10 0.00 0.00 34.13 29.54 1xxd s GLU 47 CO -0.05 -1.69 0.51 1.33 0.02 0.00 0.00 175.26 175.39 1xxd n VAL 48 N 5.30 0.00 0.00 2.63 0.24 -0.51 -4.85 118.33 121.14 1xxd n VAL 48 Ca 0.18 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.88 1xxd n VAL 48 Cb 0.48 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1xxd n VAL 48 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1xxd n ASP 49 N -2.24 0.00 -1.11 -1.34 3.85 -1.26 -0.89 116.55 113.56 1xxd n ASP 49 Ca 0.07 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.27 1xxd n ASP 49 Cb 0.48 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 40.49 1xxd n ASP 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xxd n ASN 51 N 1.38 0.68 -4.65 0.00 5.03 -1.26 -4.88 115.26 111.56 1xxd n ASN 51 Ca 0.19 0.11 -0.43 0.00 0.87 0.00 0.00 54.58 55.33 1xxd n ASN 51 Cb 0.58 -0.26 -0.02 0.00 -1.02 0.00 0.00 39.78 39.05 1xxd n ASN 51 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1xxd s LEU 52 N -6.57 4.16 0.00 3.41 0.20 -1.26 -3.25 118.68 115.37 1xxd s LEU 52 Ca -0.09 1.80 0.00 0.00 0.69 0.00 0.00 54.13 56.53 1xxd s LEU 52 Cb 0.03 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.26 1xxd s LEU 52 CO 0.12 -0.91 0.00 1.41 -0.29 0.00 0.00 176.35 176.68 1xxd n HIS 53 N 7.12 0.00 -4.25 5.38 8.25 -1.26 -4.53 115.22 125.93 1xxd n HIS 53 Ca 0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.48 1xxd n HIS 53 Cb 0.44 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 1xxd n HIS 53 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1xxd s ARG 54 N -1.32 1.31 -0.01 -0.41 0.52 -1.26 -4.33 118.95 113.45 1xxd s ARG 54 Ca 0.00 -1.70 0.07 0.00 -0.52 0.00 0.00 55.73 53.57 1xxd s ARG 54 Cb 0.00 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.55 1xxd s ARG 54 CO 0.00 -0.38 -0.22 -0.51 0.02 0.00 0.00 175.30 174.21 1xxd s LEU 55 N -3.23 2.06 0.16 2.53 1.43 -0.60 -4.62 118.68 116.40 1xxd s LEU 55 Ca 0.39 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 1xxd s LEU 55 Cb 0.07 -1.11 -0.08 0.00 0.03 0.00 0.00 46.19 45.09 1xxd s LEU 55 CO 0.14 0.26 1.36 -0.83 0.23 0.00 0.00 176.35 177.51 1xxd s GLY 56 N -0.61 2.17 -0.26 -3.19 0.00 -1.09 -4.05 107.32 100.30 1xxd s GLY 56 Ca 0.08 1.13 -0.38 0.00 0.00 0.00 0.00 44.72 45.56 1xxd s GLY 56 CO -0.00 2.24 1.34 -0.32 0.00 0.00 0.00 173.10 176.35 1xxd s GLY 57 N 0.76 -0.23 -0.10 0.20 0.00 -0.93 -1.48 107.32 105.54 1xxd s GLY 57 Ca 0.61 1.82 -0.05 0.00 0.00 0.00 0.00 44.72 47.11 1xxd s GLY 57 CO 0.34 0.61 0.22 1.25 0.00 0.00 0.00 173.10 175.51 1xxd s LYS 58 N -2.14 0.17 -0.12 2.90 2.20 -1.13 -4.77 119.74 116.84 1xxd s LYS 58 Ca 0.11 0.50 -0.17 0.00 -0.36 0.00 0.00 55.97 56.05 1xxd s LYS 58 Cb -0.01 -0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 1xxd s LYS 58 CO -0.03 -0.17 0.44 -1.17 -0.36 0.00 0.00 175.35 174.05 1xxd s LEU 59 N 1.33 4.28 -0.11 5.43 2.96 -1.26 -3.00 118.68 128.31 1xxd s LEU 59 Ca -0.08 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 1xxd s LEU 59 Cb -0.11 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 1xxd s LEU 59 CO -0.08 0.03 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.11 1xxd s GLU 60 N 0.53 3.20 -0.08 1.98 2.56 -0.65 -4.96 118.70 121.28 1xxd s GLU 60 Ca 0.24 -0.76 -0.18 0.00 0.00 0.00 0.00 54.97 54.27 1xxd s GLU 60 Cb -0.15 -2.49 -0.05 0.00 2.00 0.00 0.00 34.13 33.45 1xxd s GLU 60 CO 0.09 0.23 0.49 1.21 -0.56 0.00 0.00 175.26 176.72 1xxd s ASN 61 N 0.27 6.76 0.20 -1.70 3.84 -1.26 -0.69 114.94 122.36 1xxd s ASN 61 Ca -0.12 0.90 0.06 0.00 0.21 0.00 0.00 52.86 53.91 1xxd s ASN 61 Cb -0.16 -2.30 -0.05 0.00 -0.55 0.00 0.00 41.25 38.19 1xxd s ASN 61 CO 0.06 0.06 -0.11 -0.54 -2.79 0.00 0.00 177.10 173.79 1xxd s LYS 62 N 0.24 1.30 0.03 0.43 1.02 -0.74 -5.00 119.74 117.02 1xxd s LYS 62 Ca 0.27 -1.59 0.08 0.00 0.02 0.00 0.00 55.97 54.74 1xxd s LYS 62 Cb -0.16 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.16 1xxd s LYS 62 CO 0.12 0.11 -0.22 0.99 -0.92 0.00 0.00 175.35 175.43 1xxd s THR 63 N -3.11 2.46 -0.22 2.17 2.01 -1.26 -2.34 115.64 115.35 1xxd s THR 63 Ca 0.23 -1.25 -0.27 0.00 0.31 0.00 0.00 61.69 60.71 1xxd s THR 63 Cb 0.01 -1.99 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1xxd s THR 63 CO 0.06 0.38 0.94 -0.22 -0.69 0.00 0.00 174.62 175.09 1xxd s LEU 64 N -1.25 4.10 -0.24 4.42 2.96 -0.90 -4.95 118.68 122.82 1xxd s LEU 64 Ca 0.13 1.23 -0.37 0.00 -0.22 0.00 0.00 54.13 54.90 1xxd s LEU 64 Cb -0.10 -3.38 -0.13 0.00 0.50 0.00 0.00 46.19 43.08 1xxd s LEU 64 CO 0.03 -0.58 1.89 1.21 -1.32 0.00 0.00 176.35 177.58 1xxd n GLU 65 N 6.05 1.47 -1.73 1.98 2.13 -1.26 -1.26 120.64 128.02 1xxd n GLU 65 Ca 0.09 0.52 -0.10 0.00 0.66 0.00 0.00 57.16 58.32 1xxd n GLU 65 Cb 0.47 -2.36 -0.02 0.00 0.27 0.00 0.00 31.44 29.80 1xxd n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxd n GLY 66 N 4.80 0.56 1.56 8.31 0.00 -1.26 -4.85 105.19 114.31 1xxd n GLY 66 Ca 0.29 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1xxd n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xxd n TRP 67 N -3.35 -0.60 0.00 1.61 7.02 -0.39 -5.06 117.44 116.67 1xxd n TRP 67 Ca -0.11 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1xxd n TRP 67 Cb 0.45 0.30 0.00 0.00 -2.42 0.00 0.00 31.31 29.64 1xxd n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xxd n GLY 68 N 2.26 2.25 3.69 6.99 0.00 -0.96 -5.02 105.19 114.41 1xxd n GLY 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xxd n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xxd s TYR 69 N -2.53 2.08 0.12 1.61 1.51 -1.26 -4.78 117.35 114.11 1xxd s TYR 69 Ca 0.00 1.45 0.10 0.00 -1.01 0.00 0.00 57.07 57.61 1xxd s TYR 69 Cb 0.00 -3.17 -0.04 0.00 -0.11 0.00 0.00 41.96 38.64 1xxd s TYR 69 CO 0.00 -2.55 -0.23 -0.51 -1.11 0.00 0.00 175.55 171.15 1xxd s ASP 70 N -3.12 3.56 -0.15 2.29 1.01 -1.26 -2.13 116.67 116.88 1xxd s ASP 70 Ca 0.64 -0.66 -0.07 0.00 0.71 0.00 0.00 52.55 53.17 1xxd s ASP 70 Cb -0.20 -0.36 0.06 0.00 1.01 0.00 0.00 42.92 43.43 1xxd s ASP 70 CO 0.58 0.18 0.34 -0.72 0.21 0.00 0.00 175.17 175.76 1xxd s TYR 71 N -1.09 -0.51 0.19 4.23 -0.85 -0.99 -4.30 117.35 114.03 1xxd s TYR 71 Ca 0.16 1.11 -0.08 0.00 -0.52 0.00 0.00 57.07 57.74 1xxd s TYR 71 Cb -0.10 0.16 -0.07 0.00 0.38 0.00 0.00 41.96 42.33 1xxd s TYR 71 CO 0.08 -0.33 0.48 0.71 -1.52 0.00 0.00 175.55 174.97 1xxd s TYR 72 N 1.67 3.45 -0.10 -3.49 1.51 -0.17 -1.80 117.35 118.42 1xxd s TYR 72 Ca -0.07 0.76 0.00 0.00 -1.01 0.00 0.00 57.07 56.75 1xxd s TYR 72 Cb -0.10 -2.17 0.02 0.00 -0.11 0.00 0.00 41.96 39.60 1xxd s TYR 72 CO -0.11 0.34 -0.08 0.08 -1.11 0.00 0.00 175.55 174.68 1xxd s VAL 73 N -1.73 0.98 -0.26 0.71 1.01 0.13 -1.02 120.40 120.22 1xxd s VAL 73 Ca 0.44 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1xxd s VAL 73 Cb -0.12 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1xxd s VAL 73 CO 0.22 0.35 0.24 0.12 0.00 0.00 0.00 175.10 176.03 1xxd s PHE 74 N 1.48 3.27 0.00 5.22 5.36 0.30 -1.63 117.98 131.99 1xxd s PHE 74 Ca 0.00 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 1xxd s PHE 74 Cb -0.13 -2.40 0.00 0.00 -0.34 0.00 0.00 43.02 40.15 1xxd s PHE 74 CO -0.05 -0.09 0.00 -0.40 -1.46 0.00 0.00 175.22 173.22 1xxd n ASP 75 N 4.81 0.42 -3.86 6.13 3.85 -1.16 -4.39 116.55 122.35 1xxd n ASP 75 Ca -0.13 -0.76 -0.32 0.00 -0.71 0.00 0.00 54.79 52.87 1xxd n ASP 75 Cb 0.52 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.30 1xxd n ASP 75 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1xxd n LYS 76 N 0.00 -1.03 -3.86 0.11 4.76 -1.26 -2.86 118.16 114.01 1xxd n LYS 76 Ca 0.00 0.52 -0.35 0.00 -2.87 0.00 0.00 58.31 55.60 1xxd n LYS 76 Cb 0.00 -2.60 -0.10 0.00 -1.84 0.00 0.00 35.03 30.49 1xxd n LYS 76 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xxd s VAL 77 N -3.21 4.96 0.09 -0.18 1.01 -1.22 -2.20 120.40 119.64 1xxd s VAL 77 Ca 0.21 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.29 1xxd s VAL 77 Cb -0.11 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1xxd s VAL 77 CO 0.92 0.42 -0.11 -0.44 0.00 0.00 0.00 175.10 175.88 1xxd s SER 78 N 0.67 4.30 -0.07 3.32 0.01 -0.55 -4.91 113.70 116.47 1xxd s SER 78 Ca 0.05 -0.39 0.10 0.00 1.31 0.00 0.00 55.95 57.02 1xxd s SER 78 Cb -0.13 -0.80 0.16 0.00 0.21 0.00 0.00 66.02 65.46 1xxd s SER 78 CO 0.01 0.19 1.08 -1.20 0.41 0.00 0.00 173.24 173.74 1xxd n SER 79 N 0.86 1.22 -2.71 2.44 7.64 -1.26 -2.65 113.62 119.15 1xxd n SER 79 Ca -0.14 -2.57 -0.09 0.00 1.01 0.00 0.00 58.87 57.07 1xxd n SER 79 Cb 0.52 -0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.44 1xxd n SER 79 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1xxd n ASN 80 N -0.73 0.85 -4.16 6.43 2.04 -1.26 -5.03 115.26 113.40 1xxd n ASN 80 Ca 0.08 -2.72 -0.38 0.00 -0.44 0.00 0.00 54.58 51.13 1xxd n ASN 80 Cb 0.67 -0.28 -0.10 0.00 -2.53 0.00 0.00 39.78 37.54 1xxd n ASN 80 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 1xxd s ASP 81 N -2.76 5.44 0.08 0.53 1.01 -1.26 -5.06 116.67 114.64 1xxd s ASP 81 Ca 0.27 -1.96 -0.00 0.00 0.71 0.00 0.00 52.55 51.57 1xxd s ASP 81 Cb 0.44 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.43 1xxd s ASP 81 CO 0.01 -0.60 -0.02 0.72 0.21 0.00 0.00 175.17 175.49 1xxd s PHE 82 N 1.24 0.68 0.82 4.23 -0.71 -1.26 -4.14 117.98 118.83 1xxd s PHE 82 Ca 0.07 -1.06 -0.14 0.00 -1.04 0.00 0.00 56.93 54.76 1xxd s PHE 82 Cb -0.24 -0.44 0.20 0.00 -1.21 0.00 0.00 43.02 41.33 1xxd s PHE 82 CO -0.03 -0.35 0.78 0.25 -1.34 0.00 0.00 175.22 174.53 1xxd n THR 83 N 0.03 0.00 -1.88 -4.49 -2.24 -1.20 -4.96 114.28 99.54 1xxd n THR 83 Ca -0.12 -0.38 -0.26 0.00 -2.27 0.00 0.00 64.05 61.01 1xxd n THR 83 Cb 0.61 -1.24 0.03 0.00 -2.10 0.00 0.00 70.33 67.64 1xxd n THR 83 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xxd n ARG 84 N -3.68 3.42 -3.93 -0.78 5.12 -1.26 -4.93 116.66 110.63 1xxd n ARG 84 Ca 0.11 -3.99 -0.31 0.00 -1.93 0.00 0.00 57.85 51.73 1xxd n ARG 84 Cb 0.40 -2.28 -0.04 0.00 -1.16 0.00 0.00 32.46 29.38 1xxd n ARG 84 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xxd s VAL 85 N -4.66 5.35 0.39 1.55 1.01 -1.26 -5.09 120.40 117.69 1xxd s VAL 85 Ca 0.54 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.99 1xxd s VAL 85 Cb 0.43 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 1xxd s VAL 85 CO 0.03 0.17 0.83 0.54 0.00 0.00 0.00 175.10 176.67 1xxd s VAL 86 N -1.47 4.60 -0.11 2.92 0.11 -1.26 -4.91 120.40 120.28 1xxd s VAL 86 Ca 0.33 1.07 -0.23 0.00 -2.93 0.00 0.00 61.98 60.23 1xxd s VAL 86 Cb -0.13 -3.64 0.05 0.00 -1.53 0.00 0.00 36.38 31.13 1xxd s VAL 86 CO 0.26 -0.35 0.55 0.00 -3.33 0.00 0.00 175.10 172.22 1xxd n PRO 88 N 1.78 -3.18 -4.35 0.00 -0.04 -1.26 -5.06 135.00 122.89 1xxd n PRO 88 Ca -0.17 -0.64 -0.22 0.00 -0.04 0.00 0.00 63.50 62.42 1xxd n PRO 88 Cb 0.56 -0.82 -0.11 0.00 -0.04 0.00 0.00 33.50 33.09 1xxd n PRO 88 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1xxd s ASP 89 N -2.50 2.78 -0.08 3.54 1.47 -1.26 -4.79 116.67 115.82 1xxd s ASP 89 Ca 0.29 -0.90 -0.00 0.00 1.18 0.00 0.00 52.55 53.13 1xxd s ASP 89 Cb -0.05 -0.17 0.00 0.00 -0.34 0.00 0.00 42.92 42.36 1xxd s ASP 89 CO 0.24 -0.04 0.02 0.61 0.68 0.00 0.00 175.17 176.69 1xxd n GLY 90 N 0.14 0.55 0.56 2.12 0.00 -1.26 -4.93 105.19 102.35 1xxd n GLY 90 Ca -0.12 -0.76 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 1xxd n GLY 90 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xxd n LYS 91 N -0.96 0.00 -1.72 1.61 -0.00 -1.26 -5.11 118.16 110.72 1xxd n LYS 91 Ca -0.01 -0.52 -0.43 0.00 -0.00 0.00 0.00 58.31 57.36 1xxd n LYS 91 Cb 0.51 -0.18 -0.03 0.00 -0.00 0.00 0.00 35.03 35.33 1xxd n LYS 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1xxd n LYS 92 N 0.02 2.65 -2.69 -1.58 4.76 -1.26 -4.99 118.16 115.07 1xxd n LYS 92 Ca -0.01 0.95 -0.21 0.00 -2.87 0.00 0.00 58.31 56.17 1xxd n LYS 92 Cb 0.61 -2.76 0.04 0.00 -1.84 0.00 0.00 35.03 31.08 1xxd n LYS 92 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1xxd s GLU 93 N 0.56 2.49 -0.42 1.97 2.12 -0.07 -4.91 118.70 120.44 1xxd s GLU 93 Ca 0.72 -0.89 0.02 0.00 0.36 0.00 0.00 54.97 55.18 1xxd s GLU 93 Cb -0.53 -2.51 0.13 0.00 0.26 0.00 0.00 34.13 31.48 1xxd s GLU 93 CO 0.39 -0.73 0.21 0.21 -0.54 0.00 0.00 175.26 174.79 1xxd s LYS 94 N -4.75 1.27 0.52 4.30 2.20 -1.26 -1.43 119.74 120.59 1xxd s LYS 94 Ca 0.58 -1.91 0.05 0.00 -0.36 0.00 0.00 55.97 54.33 1xxd s LYS 94 Cb -0.10 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 1xxd s LYS 94 CO 0.38 -1.12 0.27 0.21 -0.36 0.00 0.00 175.35 174.74 1xxd s LYS 95 N 0.52 2.24 -0.89 4.03 2.20 -1.09 -4.94 119.74 121.81 1xxd s LYS 95 Ca 0.16 -2.08 -0.06 0.00 -0.36 0.00 0.00 55.97 53.63 1xxd s LYS 95 Cb -0.23 -1.94 0.22 0.00 -1.51 0.00 0.00 37.83 34.37 1xxd s LYS 95 CO -0.04 -0.48 0.80 0.12 -0.36 0.00 0.00 175.35 175.40 1xxd s PHE 96 N -2.77 3.88 0.17 4.03 5.36 -1.26 -1.64 117.98 125.75 1xxd s PHE 96 Ca 0.28 -2.70 -0.31 0.00 -0.96 0.00 0.00 56.93 53.23 1xxd s PHE 96 Cb -0.00 -3.49 -0.10 0.00 -0.34 0.00 0.00 43.02 39.09 1xxd s PHE 96 CO 0.17 -0.86 1.54 0.14 -1.46 0.00 0.00 175.22 174.75 1xxd s VAL 97 N -0.84 2.70 0.45 3.12 -7.23 -1.22 -4.82 120.40 112.56 1xxd s VAL 97 Ca 0.25 0.51 0.06 0.00 -1.81 0.00 0.00 61.98 60.99 1xxd s VAL 97 Cb -0.11 -3.33 -0.03 0.00 0.56 0.00 0.00 36.38 33.48 1xxd s VAL 97 CO -0.09 0.04 0.23 0.42 -0.31 0.00 0.00 175.10 175.39 1xxd s THR 98 N 1.03 2.10 0.36 5.32 -4.23 -1.26 -2.55 115.64 116.41 1xxd s THR 98 Ca 0.68 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1xxd s THR 98 Cb -0.43 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 1xxd s THR 98 CO 0.32 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.96 1xxd s ALA 99 N -2.65 3.75 -0.59 3.99 0.00 -0.28 -1.56 121.76 124.41 1xxd s ALA 99 Ca 0.37 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 1xxd s ALA 99 Cb 0.02 -2.07 0.07 0.00 0.00 0.00 0.00 23.12 21.14 1xxd s ALA 99 CO 0.21 -0.08 0.82 -0.47 0.00 0.00 0.00 175.76 176.24 1xxd s TYR 100 N -2.34 2.86 -0.24 0.00 5.04 -1.26 -4.83 117.35 116.58 1xxd s TYR 100 Ca 0.42 -0.60 0.23 0.00 -2.44 0.00 0.00 57.07 54.67 1xxd s TYR 100 Cb -0.10 -4.03 -0.01 0.00 0.35 0.00 0.00 41.96 38.17 1xxd s TYR 100 CO 0.36 -1.38 1.02 1.28 -1.34 0.00 0.00 175.55 175.48 1xxd n LEU 101 N 6.96 0.79 0.00 6.97 4.77 -1.26 -4.92 117.00 130.31 1xxd n LEU 101 Ca -0.05 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1xxd n LEU 101 Cb 0.45 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1xxd n LEU 101 CO 0.60 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1xxd n GLY 102 N 1.19 2.66 0.07 -0.72 0.00 -1.26 -2.72 105.19 104.41 1xxd n GLY 102 Ca -0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1xxd n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xxd h ASP 103 N 0.71 0.00 0.18 1.61 3.32 -1.96 -3.15 116.42 117.13 1xxd h ASP 103 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xxd h ASP 103 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xxd h ASP 103 CO 0.00 0.97 0.00 0.00 -1.72 0.00 0.00 179.24 178.49 1xxd h ALA 104 N 1.03 1.00 0.00 3.45 0.00 -1.94 -2.25 119.26 120.54 1xxd h ALA 104 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1xxd h ALA 104 Cb 1.77 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1xxd h ALA 104 CO 0.12 0.00 -0.54 0.78 0.00 0.00 0.00 179.25 179.61 1xxd h GLY 105 N 0.45 0.00 -6.19 0.00 0.00 -1.56 -3.43 103.07 92.34 1xxd h GLY 105 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1xxd h GLY 105 CO 0.00 0.00 0.40 1.06 0.00 0.00 0.00 176.54 178.00 1xxd s MET 106 N -3.32 4.02 0.18 4.80 -1.94 -0.85 -2.07 119.30 120.12 1xxd s MET 106 Ca 0.01 0.66 0.10 0.00 -1.71 0.00 0.00 55.69 54.75 1xxd s MET 106 Cb 0.10 -3.70 -0.04 0.00 2.01 0.00 0.00 34.83 33.20 1xxd s MET 106 CO 0.73 -0.63 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.45 1xxd s LEU 107 N 2.91 2.76 0.38 -0.03 1.43 -0.55 -4.98 118.68 120.60 1xxd s LEU 107 Ca 0.32 -0.68 -0.27 0.00 -1.03 0.00 0.00 54.13 52.48 1xxd s LEU 107 Cb -0.14 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.51 1xxd s LEU 107 CO 0.11 0.12 1.28 -0.60 0.23 0.00 0.00 176.35 177.49 1xxd s ARG 108 N -2.70 4.13 -0.34 1.70 3.52 -1.26 -1.43 118.95 122.58 1xxd s ARG 108 Ca 0.23 2.12 -0.29 0.00 -0.13 0.00 0.00 55.73 57.66 1xxd s ARG 108 Cb -0.09 -2.87 0.02 0.00 -1.56 0.00 0.00 34.95 30.45 1xxd s ARG 108 CO 0.13 -0.34 1.07 -0.47 -0.81 0.00 0.00 175.30 174.88 1xxd s TYR 109 N -1.24 3.12 -0.31 5.12 6.14 -1.24 -4.68 117.35 124.26 1xxd s TYR 109 Ca 0.54 1.14 -0.02 0.00 0.64 0.00 0.00 57.07 59.37 1xxd s TYR 109 Cb -0.37 -3.76 0.12 0.00 0.42 0.00 0.00 41.96 38.37 1xxd s TYR 109 CO 0.49 -0.81 0.20 1.21 0.64 0.00 0.00 175.55 177.27 1xxd s ASN 110 N 1.74 2.85 0.25 4.32 3.84 -1.26 -4.68 114.94 122.00 1xxd s ASN 110 Ca 0.45 -1.41 0.21 0.00 0.21 0.00 0.00 52.86 52.32 1xxd s ASN 110 Cb -0.12 -0.12 0.98 0.00 -0.55 0.00 0.00 41.25 41.45 1xxd s ASN 110 CO 0.17 -0.39 1.65 -1.54 -2.79 0.00 0.00 177.10 174.21 1xxd n SER 111 N 4.90 0.57 0.22 -4.21 3.41 -1.26 -2.45 113.62 114.81 1xxd n SER 111 Ca 0.00 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.36 1xxd n SER 111 Cb 0.42 -0.79 0.51 0.00 -0.26 0.00 0.00 64.21 64.09 1xxd n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xxd h LYS 112 N 0.00 0.00 -4.96 4.33 1.57 -1.93 -3.43 116.57 112.15 1xxd h LYS 112 Ca 0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.36 1xxd h LYS 112 Cb 0.23 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.25 1xxd h LYS 112 CO 0.00 0.23 -0.79 -0.51 -0.57 0.00 0.00 179.45 177.81 1xxd s LEU 113 N -8.10 2.04 0.08 2.94 1.43 -1.02 -5.12 118.68 110.93 1xxd s LEU 113 Ca -0.03 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1xxd s LEU 113 Cb 0.14 -0.56 -0.06 0.00 0.03 0.00 0.00 46.19 45.75 1xxd s LEU 113 CO 0.68 0.12 1.16 -2.16 0.23 0.00 0.00 176.35 176.38 1xxd s PRO 114 N -0.36 4.48 -0.43 1.29 0.04 -1.26 -4.81 135.00 133.95 1xxd s PRO 114 Ca 0.04 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1xxd s PRO 114 Cb -0.05 -3.34 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1xxd s PRO 114 CO -0.00 -0.17 1.26 0.42 0.04 0.00 0.00 177.00 178.55 1xxd s ILE 115 N 0.75 4.10 -0.18 0.56 1.01 -0.48 -4.83 121.20 122.12 1xxd s ILE 115 Ca 0.56 1.14 -0.09 0.00 0.00 0.00 0.00 60.65 62.26 1xxd s ILE 115 Cb -0.29 -4.40 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 1xxd s ILE 115 CO 0.31 -0.83 0.14 -0.69 0.00 0.00 0.00 174.94 173.86 1xxd s VAL 116 N 4.79 5.43 -0.01 2.92 1.01 -1.26 -0.91 120.40 132.38 1xxd s VAL 116 Ca 0.54 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1xxd s VAL 116 Cb -0.11 -3.46 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 1xxd s VAL 116 CO 0.30 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 175.13 1xxd s VAL 117 N 0.03 0.50 -0.13 2.92 1.01 0.10 -1.00 120.40 123.84 1xxd s VAL 117 Ca 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1xxd s VAL 117 Cb -0.11 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1xxd s VAL 117 CO -0.00 0.14 -0.08 -0.31 0.00 0.00 0.00 175.10 174.85 1xxd s TYR 118 N -0.11 2.93 0.07 5.22 1.51 -0.19 0.80 117.35 127.58 1xxd s TYR 118 Ca 0.02 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 55.64 1xxd s TYR 118 Cb -0.03 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1xxd s TYR 118 CO -0.00 -0.02 0.19 0.95 -1.11 0.00 0.00 175.55 175.56 1xxd s THR 119 N 0.11 0.13 0.95 -0.71 -4.23 -0.90 -0.53 115.64 110.47 1xxd s THR 119 Ca -0.03 -1.08 -0.14 0.00 -1.18 0.00 0.00 61.69 59.26 1xxd s THR 119 Cb -0.14 -1.21 -0.00 0.00 1.34 0.00 0.00 72.50 72.49 1xxd s THR 119 CO 0.03 -0.60 0.16 -2.65 -0.54 0.00 0.00 174.62 171.03 1xxd n PRO 120 N 0.17 -0.22 -0.16 3.99 -0.02 -1.26 0.10 135.00 137.60 1xxd n PRO 120 Ca -0.16 -0.03 -0.02 0.00 -2.02 0.00 0.00 63.50 61.27 1xxd n PRO 120 Cb 0.61 -1.68 0.07 0.00 -0.02 0.00 0.00 33.50 32.48 1xxd n PRO 120 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xxd h ASP 121 N -1.42 0.00 -0.51 2.55 3.32 -1.83 -2.44 116.42 116.09 1xxd h ASP 121 Ca -0.44 0.09 -0.32 0.00 0.02 0.00 0.00 57.03 56.38 1xxd h ASP 121 Cb 1.29 0.12 -0.15 0.00 0.22 0.00 0.00 39.33 40.81 1xxd h ASP 121 CO 0.32 0.03 0.42 -0.46 -1.72 0.00 0.00 179.24 177.82 1xxd n ASN 122 N -5.11 5.63 -3.79 6.45 2.04 -1.26 -4.81 115.26 114.41 1xxd n ASN 122 Ca 0.06 -3.03 -0.24 0.00 -0.44 0.00 0.00 54.58 50.93 1xxd n ASN 122 Cb 0.25 -0.94 -0.17 0.00 -2.53 0.00 0.00 39.78 36.38 1xxd n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1xxd s VAL 123 N -2.24 0.48 0.35 3.53 1.01 -0.92 -4.82 120.40 117.79 1xxd s VAL 123 Ca 0.32 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1xxd s VAL 123 Cb 0.26 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1xxd s VAL 123 CO 0.01 0.25 0.52 -1.81 0.00 0.00 0.00 175.10 174.08 1xxd s ASP 124 N 1.93 6.13 -0.18 3.32 1.01 -0.53 -4.69 116.67 123.65 1xxd s ASP 124 Ca 0.05 0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.52 1xxd s ASP 124 Cb -0.13 -1.72 0.04 0.00 1.01 0.00 0.00 42.92 42.12 1xxd s ASP 124 CO -0.06 -0.37 -0.09 -0.69 0.21 0.00 0.00 175.17 174.17 1xxd s VAL 125 N -2.28 1.49 0.53 -1.27 1.01 -1.26 -2.42 120.40 116.20 1xxd s VAL 125 Ca 0.42 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1xxd s VAL 125 Cb -0.10 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1xxd s VAL 125 CO 0.34 0.19 0.30 -0.54 0.00 0.00 0.00 175.10 175.39 1xxd s LYS 126 N 1.47 2.24 0.06 2.72 1.02 0.17 -4.93 119.74 122.49 1xxd s LYS 126 Ca 0.00 -2.10 -0.21 0.00 0.02 0.00 0.00 55.97 53.68 1xxd s LYS 126 Cb -0.16 -1.96 0.05 0.00 -0.52 0.00 0.00 37.83 35.25 1xxd s LYS 126 CO -0.08 -0.53 0.48 1.52 -0.92 0.00 0.00 175.35 175.81 1xxd s TYR 127 N -2.79 -0.36 -0.03 3.18 1.13 -1.26 0.93 117.35 118.14 1xxd s TYR 127 Ca 0.27 0.34 -0.00 0.00 -1.41 0.00 0.00 57.07 56.27 1xxd s TYR 127 Cb -0.01 0.31 0.03 0.00 -1.10 0.00 0.00 41.96 41.18 1xxd s TYR 127 CO 0.17 -0.63 0.02 0.50 -2.51 0.00 0.00 175.55 173.09 1xxd s ARG 128 N -2.62 0.15 0.32 -3.49 3.52 0.38 -4.94 118.95 112.27 1xxd s ARG 128 Ca -0.04 0.17 -0.26 0.00 -0.13 0.00 0.00 55.73 55.46 1xxd s ARG 128 Cb -0.00 -0.45 -0.10 0.00 -1.56 0.00 0.00 34.95 32.84 1xxd s ARG 128 CO -0.03 -0.19 0.98 0.08 -0.81 0.00 0.00 175.30 175.32 1xxd s VAL 129 N 1.31 4.05 -0.05 7.11 1.01 -1.26 -0.16 120.40 132.40 1xxd s VAL 129 Ca -0.06 1.74 0.06 0.00 0.00 0.00 0.00 61.98 63.72 1xxd s VAL 129 Cb -0.13 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 1xxd s VAL 129 CO -0.03 0.17 -0.24 0.26 0.00 0.00 0.00 175.10 175.26 1xxd s TRP 130 N -1.54 2.44 -0.06 5.22 0.52 0.19 -4.93 118.94 120.78 1xxd s TRP 130 Ca 0.50 -0.65 0.05 0.00 0.02 0.00 0.00 56.10 56.02 1xxd s TRP 130 Cb -0.21 -1.59 -0.00 0.00 -1.15 0.00 0.00 33.47 30.52 1xxd s TRP 130 CO 0.27 -0.17 -0.21 0.21 0.02 0.00 0.00 176.95 177.07 1xxd s LYS 131 N -0.26 2.21 -0.10 4.98 2.20 -1.26 -1.11 119.74 126.39 1xxd s LYS 131 Ca -0.01 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 1xxd s LYS 131 Cb -0.13 -1.86 -0.01 0.00 -1.51 0.00 0.00 37.83 34.32 1xxd s LYS 131 CO 0.03 0.28 1.02 0.00 -0.36 0.00 0.00 175.35 176.31 1xxd s ALA 132 N 0.03 3.41 1.06 3.13 0.00 -0.50 -5.03 121.76 123.86 1xxd s ALA 132 Ca -0.06 0.39 -0.13 0.00 0.00 0.00 0.00 51.96 52.16 1xxd s ALA 132 Cb -0.13 -3.44 0.18 0.00 0.00 0.00 0.00 23.12 19.73 1xxd s ALA 132 CO 0.04 -0.61 0.80 0.39 0.00 0.00 0.00 175.76 176.37 1xxd n GLU 133 N 5.01 -1.43 0.09 0.00 -0.58 -1.26 -4.96 120.64 117.51 1xxd n GLU 133 Ca 0.09 -0.38 -0.23 0.00 -0.42 0.00 0.00 57.16 56.22 1xxd n GLU 133 Cb 0.49 -2.11 -0.15 0.00 -0.57 0.00 0.00 31.44 29.10 1xxd n GLU 133 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1xxd h GLU 134 N -2.20 0.43 -7.28 3.49 4.39 -2.02 -3.47 114.58 107.92 1xxd h GLU 134 Ca -0.52 -0.74 -0.52 0.00 0.34 0.00 0.00 59.36 57.92 1xxd h GLU 134 Cb 1.31 0.27 0.18 0.00 -0.10 0.00 0.00 28.75 30.41 1xxd h GLU 134 CO 0.43 1.35 0.25 0.21 -1.16 0.00 0.00 179.01 180.09 1xxd s LYS 135 N -2.58 1.35 -0.18 2.33 2.20 -1.26 -5.05 119.74 116.56 1xxd s LYS 135 Ca -0.14 1.41 -0.07 0.00 -0.36 0.00 0.00 55.97 56.81 1xxd s LYS 135 Cb 0.05 -1.78 0.08 0.00 -1.51 0.00 0.00 37.83 34.67 1xxd s LYS 135 CO 0.88 -2.35 0.39 0.42 -0.36 0.00 0.00 175.35 174.32 1xxd s ILE 136 N -2.73 -0.52 0.47 5.43 -1.09 -1.26 -5.17 121.20 116.32 1xxd s ILE 136 Ca 0.65 0.18 0.07 0.00 -2.23 0.00 0.00 60.65 59.32 1xxd s ILE 136 Cb -0.21 -0.61 -0.00 0.00 -1.58 0.00 0.00 42.46 40.05 1xxd s ILE 136 CO 0.57 0.08 0.33 -1.81 -1.23 0.00 0.00 174.94 172.88 1xxd s ASP 137 N 2.42 4.70 -0.18 3.58 1.01 -1.26 -5.12 116.67 121.81 1xxd s ASP 137 Ca -0.02 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.19 1xxd s ASP 137 Cb -0.12 -0.13 0.01 0.00 1.01 0.00 0.00 42.92 43.70 1xxd s ASP 137 CO -0.12 -0.81 -0.18 0.20 0.21 0.00 0.00 175.17 174.48 1xxd s ASN 138 N -4.13 3.32 0.97 0.27 0.01 -1.26 -5.10 114.94 109.02 1xxd s ASN 138 Ca 0.40 -0.60 -0.16 0.00 -0.71 0.00 0.00 52.86 51.79 1xxd s ASN 138 Cb -0.01 -1.52 -0.10 0.00 0.41 0.00 0.00 41.25 40.03 1xxd s ASN 138 CO 0.23 0.00 -0.44 0.00 -1.51 0.00 0.00 177.10 175.38 1xxd n ALA 139 N 4.62 -4.60 -2.87 0.60 0.00 -1.26 -4.96 120.51 112.04 1xxd n ALA 139 Ca -0.20 -0.64 -0.28 0.00 0.00 0.00 0.00 53.44 52.32 1xxd n ALA 139 Cb 0.50 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1xxd n ALA 139 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xxd s VAL 140 N -2.10 4.98 -0.46 0.00 1.01 -1.26 -5.07 120.40 117.49 1xxd s VAL 140 Ca 0.45 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1xxd s VAL 140 Cb -0.20 -3.51 0.09 0.00 0.00 0.00 0.00 36.38 32.76 1xxd s VAL 140 CO 0.78 -0.02 0.34 -0.69 0.00 0.00 0.00 175.10 175.51 1xxd s VAL 141 N -1.65 4.61 0.00 2.92 1.01 -1.26 -5.36 120.40 120.68 1xxd s VAL 141 Ca 0.33 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1xxd s VAL 141 Cb -0.11 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1xxd s VAL 141 CO 0.26 -0.63 0.00 -2.11 0.00 0.00 0.00 175.10 172.62