#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0q s GLN 3 N 0.00 0.01 -0.41 5.55 2.00 0.22 -4.97 119.66 122.06 1a0q s GLN 3 Ca 0.00 -0.01 0.04 0.00 -2.00 0.00 0.00 55.36 53.39 1a0q s GLN 3 Cb 0.00 0.00 0.18 0.00 0.80 0.00 0.00 33.01 33.99 1a0q s GLN 3 CO 0.00 -0.00 0.36 -0.11 -0.50 0.00 0.00 175.29 175.04 1a0q n LEU 4 N 3.04 -0.50 -4.55 3.68 7.94 -1.25 -1.57 117.00 123.79 1a0q n LEU 4 Ca -0.12 -4.37 -0.42 0.00 -1.11 0.00 0.00 56.01 49.98 1a0q n LEU 4 Cb 0.60 0.56 -0.03 0.00 0.53 0.00 0.00 43.42 45.08 1a0q n LEU 4 CO 0.26 1.88 1.02 -1.58 -1.11 0.00 0.00 177.39 177.86 1a0q s GLN 5 N -0.03 3.35 0.32 1.96 2.00 0.32 -3.92 119.66 123.66 1a0q s GLN 5 Ca 0.33 -0.09 -0.23 0.00 -2.00 0.00 0.00 55.36 53.37 1a0q s GLN 5 Cb 0.05 -4.09 -0.10 0.00 0.80 0.00 0.00 33.01 29.67 1a0q s GLN 5 CO -0.19 -1.81 0.89 -1.21 -0.50 0.00 0.00 175.29 172.47 1a0q s GLU 6 N 4.95 4.42 1.03 1.67 2.02 -1.26 -0.68 118.70 130.84 1a0q s GLU 6 Ca 0.36 1.16 -0.11 0.00 0.02 0.00 0.00 54.97 56.40 1a0q s GLU 6 Cb -0.09 -2.68 0.21 0.00 0.10 0.00 0.00 34.13 31.67 1a0q s GLU 6 CO 0.20 0.24 1.09 -1.54 0.02 0.00 0.00 175.26 175.26 1a0q s SER 7 N -1.76 2.02 0.78 -0.19 1.04 -0.68 -4.94 113.70 109.97 1a0q s SER 7 Ca 0.51 1.86 -0.14 0.00 0.48 0.00 0.00 55.95 58.66 1a0q s SER 7 Cb -0.16 -2.44 0.07 0.00 0.10 0.00 0.00 66.02 63.59 1a0q s SER 7 CO 0.21 -3.61 1.20 -1.81 0.98 0.00 0.00 173.24 170.21 1a0q s ASP 8 N -2.62 3.79 0.45 7.02 1.01 -1.26 -4.64 116.67 120.42 1a0q s ASP 8 Ca 0.67 2.35 -0.25 0.00 0.71 0.00 0.00 52.55 56.03 1a0q s ASP 8 Cb -0.24 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.02 1a0q s ASP 8 CO 0.61 -2.53 1.42 0.00 0.21 0.00 0.00 175.17 174.88 1a0q n ALA 9 N -3.14 2.00 -2.63 5.23 0.00 -1.26 -4.80 120.51 115.91 1a0q n ALA 9 Ca 0.13 0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 1a0q n ALA 9 Cb 0.50 -2.39 -0.15 0.00 0.00 0.00 0.00 19.45 17.42 1a0q n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a0q s GLU 10 N -2.42 0.94 -0.09 0.00 2.56 -0.50 -4.75 118.70 114.43 1a0q s GLU 10 Ca 0.61 -0.46 0.03 0.00 0.00 0.00 0.00 54.97 55.15 1a0q s GLU 10 Cb -0.45 -0.91 0.01 0.00 2.00 0.00 0.00 34.13 34.78 1a0q s GLU 10 CO 0.58 0.25 -0.19 -1.17 -0.56 0.00 0.00 175.26 174.16 1a0q s LEU 11 N -0.40 1.91 -0.03 2.70 2.96 -1.26 -1.12 118.68 123.44 1a0q s LEU 11 Ca 0.04 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.44 1a0q s LEU 11 Cb -0.05 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.46 1a0q s LEU 11 CO -0.00 0.10 0.12 -0.69 -1.32 0.00 0.00 176.35 174.56 1a0q s VAL 12 N 0.54 0.03 0.76 1.68 1.01 -0.44 -5.00 120.40 118.97 1a0q s VAL 12 Ca -0.16 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1a0q s VAL 12 Cb -0.17 -0.25 0.06 0.00 0.00 0.00 0.00 36.38 36.02 1a0q s VAL 12 CO 0.06 -0.12 1.22 -0.54 0.00 0.00 0.00 175.10 175.72 1a0q s LYS 13 N -0.37 1.92 0.25 2.72 -0.14 -1.24 -1.24 119.74 121.64 1a0q s LYS 13 Ca -0.04 1.81 -0.31 0.00 -1.36 0.00 0.00 55.97 56.07 1a0q s LYS 13 Cb -0.03 -1.80 -0.14 0.00 -1.68 0.00 0.00 37.83 34.18 1a0q s LYS 13 CO 0.00 -2.01 1.25 -2.30 -0.76 0.00 0.00 175.35 171.53 1a0q n PRO 14 N -2.91 1.70 0.00 -1.68 -0.02 -1.26 -3.13 135.00 127.70 1a0q n PRO 14 Ca 0.14 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1a0q n PRO 14 Cb 0.50 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1a0q n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a0q n GLY 15 N 1.74 3.08 2.46 -1.23 0.00 0.72 -4.88 105.19 107.09 1a0q n GLY 15 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 1a0q n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0q n ALA 16 N -0.67 -0.72 -2.41 4.61 0.00 -1.18 -4.06 120.51 116.07 1a0q n ALA 16 Ca 0.00 -1.14 -0.21 0.00 0.00 0.00 0.00 53.44 52.09 1a0q n ALA 16 Cb 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1a0q n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1a0q s SER 17 N -3.98 2.97 0.03 0.00 0.01 -1.26 -1.87 113.70 109.60 1a0q s SER 17 Ca 0.47 -1.08 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 1a0q s SER 17 Cb -0.02 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 1a0q s SER 17 CO 0.32 -0.16 -0.02 0.54 0.41 0.00 0.00 173.24 174.33 1a0q s VAL 18 N -2.83 0.16 -0.14 3.43 0.11 -0.61 -4.99 120.40 115.53 1a0q s VAL 18 Ca 0.27 -1.30 -0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1a0q s VAL 18 Cb -0.01 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1a0q s VAL 18 CO 0.11 -0.71 -0.07 -0.54 -3.33 0.00 0.00 175.10 170.55 1a0q s LYS 19 N -2.55 1.54 -0.04 1.54 1.02 -1.26 -1.37 119.74 118.62 1a0q s LYS 19 Ca -0.06 -0.38 -0.15 0.00 0.02 0.00 0.00 55.97 55.40 1a0q s LYS 19 Cb -0.02 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.45 1a0q s LYS 19 CO -0.05 -0.33 0.41 0.42 -0.92 0.00 0.00 175.35 174.87 1a0q s ILE 20 N 1.66 5.10 0.27 2.17 -1.09 -0.22 -4.96 121.20 124.13 1a0q s ILE 20 Ca 0.03 0.82 0.09 0.00 -2.23 0.00 0.00 60.65 59.37 1a0q s ILE 20 Cb -0.14 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1a0q s ILE 20 CO -0.08 0.51 0.00 -0.94 -1.23 0.00 0.00 174.94 173.19 1a0q s SER 21 N -0.55 4.57 -0.39 3.58 1.04 -1.26 -1.62 113.70 119.07 1a0q s SER 21 Ca 0.23 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 56.05 1a0q s SER 21 Cb -0.16 -0.86 0.16 0.00 0.10 0.00 0.00 66.02 65.26 1a0q s SER 21 CO 0.11 -0.00 0.32 0.00 0.98 0.00 0.00 173.24 174.66 1a0q s LYS 23 N 0.59 3.51 0.29 0.00 2.47 0.14 -2.01 119.74 124.73 1a0q s LYS 23 Ca 0.26 0.83 -0.17 0.00 -1.56 0.00 0.00 55.97 55.33 1a0q s LYS 23 Cb -0.07 -4.05 -0.09 0.00 -1.46 0.00 0.00 37.83 32.16 1a0q s LYS 23 CO -0.10 -1.65 0.73 0.00 0.16 0.00 0.00 175.35 174.49 1a0q s ALA 24 N 5.59 3.35 -0.15 3.13 0.00 -0.03 -0.52 121.76 133.13 1a0q s ALA 24 Ca 0.59 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1a0q s ALA 24 Cb -0.13 -2.79 0.11 0.00 0.00 0.00 0.00 23.12 20.31 1a0q s ALA 24 CO 0.31 0.33 0.89 0.45 0.00 0.00 0.00 175.76 177.74 1a0q s SER 25 N -2.05 -0.49 0.00 0.00 0.15 -0.61 -4.78 113.70 105.92 1a0q s SER 25 Ca 0.50 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1a0q s SER 25 Cb -0.13 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1a0q s SER 25 CO 0.19 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1a0q n GLY 26 N 1.11 2.12 3.42 9.45 0.00 -1.26 0.69 105.19 120.71 1a0q n GLY 26 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 1a0q n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a0q s TYR 27 N -2.33 1.23 -0.30 1.61 1.13 -1.26 -4.28 117.35 113.15 1a0q s TYR 27 Ca 0.00 -1.38 -0.26 0.00 -1.41 0.00 0.00 57.07 54.02 1a0q s TYR 27 Cb 0.00 -0.28 0.01 0.00 -1.10 0.00 0.00 41.96 40.59 1a0q s TYR 27 CO 0.00 -1.02 0.93 0.99 -2.51 0.00 0.00 175.55 173.94 1a0q s THR 28 N -3.29 4.67 0.20 -3.49 2.01 -1.26 -4.94 115.64 109.54 1a0q s THR 28 Ca 0.34 1.50 -0.13 0.00 0.31 0.00 0.00 61.69 63.71 1a0q s THR 28 Cb 0.01 -4.27 0.15 0.00 0.01 0.00 0.00 72.50 68.40 1a0q s THR 28 CO 0.21 -0.33 1.68 0.15 -0.69 0.00 0.00 174.62 175.64 1a0q h PHE 29 N 8.03 -0.03 0.00 4.92 3.57 -1.97 -1.31 116.94 130.15 1a0q h PHE 29 Ca -0.22 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1a0q h PHE 29 Cb 1.08 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1a0q h PHE 29 CO 0.80 -0.13 0.00 0.25 -2.23 0.00 0.00 178.31 177.00 1a0q n THR 30 N -5.25 0.00 0.75 4.41 -2.24 -1.26 -3.31 114.28 107.39 1a0q n THR 30 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 1a0q n THR 30 Cb 0.30 -0.49 0.39 0.00 -2.10 0.00 0.00 70.33 68.42 1a0q n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a0q n ASP 31 N -0.87 0.54 -3.97 3.42 8.00 -0.49 -4.87 116.55 118.31 1a0q n ASP 31 Ca 0.13 0.35 -0.08 0.00 0.71 0.00 0.00 54.79 55.91 1a0q n ASP 31 Cb 0.06 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.70 1a0q n ASP 31 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1a0q s HIS 32 N -3.08 0.35 0.49 1.24 3.76 -1.21 -5.09 115.29 111.75 1a0q s HIS 32 Ca 0.11 -0.81 -0.04 0.00 -0.15 0.00 0.00 55.06 54.17 1a0q s HIS 32 Cb 0.15 -0.20 -0.02 0.00 1.11 0.00 0.00 32.58 33.62 1a0q s HIS 32 CO 0.62 -0.50 0.76 0.14 -0.85 0.00 0.00 174.74 174.91 1a0q s VAL 33 N -3.90 4.43 -0.19 -0.90 -7.23 -1.26 -4.46 120.40 106.89 1a0q s VAL 33 Ca 0.08 -0.07 0.01 0.00 -1.81 0.00 0.00 61.98 60.19 1a0q s VAL 33 Cb 0.06 -3.68 0.02 0.00 0.56 0.00 0.00 36.38 33.34 1a0q s VAL 33 CO -0.09 -0.61 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.27 1a0q s ILE 34 N -2.72 2.12 0.10 -0.62 -1.09 -0.95 -1.44 121.20 116.59 1a0q s ILE 34 Ca 0.48 -0.97 -0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1a0q s ILE 34 Cb -0.10 -1.92 -0.05 0.00 -1.58 0.00 0.00 42.46 38.81 1a0q s ILE 34 CO 0.42 0.49 0.31 -1.00 -1.23 0.00 0.00 174.94 173.94 1a0q s HIS 35 N 1.28 3.50 -0.08 3.97 3.76 -0.18 -2.30 115.29 125.25 1a0q s HIS 35 Ca 0.04 0.48 0.04 0.00 -0.15 0.00 0.00 55.06 55.47 1a0q s HIS 35 Cb -0.14 -1.94 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 1a0q s HIS 35 CO -0.12 0.51 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.47 1a0q s TRP 36 N -1.56 2.54 0.12 1.40 0.52 -0.17 -0.50 118.94 121.29 1a0q s TRP 36 Ca 0.37 -0.74 0.09 0.00 0.02 0.00 0.00 56.10 55.84 1a0q s TRP 36 Cb -0.13 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.49 1a0q s TRP 36 CO 0.24 -0.23 -0.22 0.08 0.02 0.00 0.00 176.95 176.85 1a0q s VAL 37 N -0.02 1.85 -0.18 4.03 1.01 0.38 -1.03 120.40 126.44 1a0q s VAL 37 Ca -0.07 -1.64 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 1a0q s VAL 37 Cb -0.15 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1a0q s VAL 37 CO 0.05 -0.06 -0.02 -0.75 0.00 0.00 0.00 175.10 174.32 1a0q s LYS 38 N -2.06 3.61 -0.26 2.72 2.20 0.12 -1.45 119.74 124.61 1a0q s LYS 38 Ca 0.09 -0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1a0q s LYS 38 Cb -0.09 -3.00 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1a0q s LYS 38 CO 0.05 0.08 -0.01 -1.14 -0.36 0.00 0.00 175.35 173.97 1a0q s GLN 39 N 0.80 2.93 0.00 4.03 0.74 0.18 -0.66 119.66 127.67 1a0q s GLN 39 Ca -0.01 -0.93 0.00 0.00 0.05 0.00 0.00 55.36 54.47 1a0q s GLN 39 Cb -0.14 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.85 1a0q s GLN 39 CO 0.02 -0.41 0.00 1.63 -0.55 0.00 0.00 175.29 175.98 1a0q n LYS 40 N 4.74 0.00 -0.65 1.67 5.02 -0.07 -1.77 118.16 127.10 1a0q n LYS 40 Ca -0.16 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.82 1a0q n LYS 40 Cb 0.47 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.66 1a0q n LYS 40 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1a0q n PRO 41 N 13.34 -1.16 0.00 1.97 -0.02 -1.26 -4.71 135.00 143.16 1a0q n PRO 41 Ca 0.00 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 1a0q n PRO 41 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1a0q n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a0q n GLU 42 N -3.36 0.00 -3.55 -0.52 4.71 -1.26 -4.80 120.64 111.86 1a0q n GLU 42 Ca 0.06 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.06 1a0q n GLU 42 Cb 0.55 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.92 1a0q n GLU 42 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1a0q s GLN 43 N 0.00 0.87 0.00 3.49 0.74 -1.26 -5.14 119.66 118.36 1a0q s GLN 43 Ca 0.00 0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.72 1a0q s GLN 43 Cb 0.00 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.52 1a0q s GLN 43 CO 0.00 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.90 1a0q n GLY 44 N 1.08 2.43 3.55 2.59 0.00 -1.26 -4.55 105.19 109.03 1a0q n GLY 44 Ca -0.16 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1a0q n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a0q s LEU 45 N 0.00 3.03 -0.08 0.99 1.43 -1.26 -0.89 118.68 121.90 1a0q s LEU 45 Ca 0.00 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1a0q s LEU 45 Cb 0.00 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.59 1a0q s LEU 45 CO 0.00 0.35 -0.04 -0.70 0.23 0.00 0.00 176.35 176.19 1a0q s GLU 46 N -0.86 1.01 0.00 1.70 2.12 0.16 -4.92 118.70 117.92 1a0q s GLU 46 Ca 0.13 -0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.07 1a0q s GLU 46 Cb -0.11 -1.15 -0.05 0.00 0.26 0.00 0.00 34.13 33.08 1a0q s GLU 46 CO 0.02 -0.22 1.28 -0.46 -0.54 0.00 0.00 175.26 175.34 1a0q s TRP 47 N 1.56 3.14 -0.22 5.30 -0.00 -1.26 0.11 118.94 127.57 1a0q s TRP 47 Ca -0.00 1.09 -0.16 0.00 -0.00 0.00 0.00 56.10 57.03 1a0q s TRP 47 Cb -0.13 -3.52 -0.12 0.00 -0.00 0.00 0.00 33.47 29.70 1a0q s TRP 47 CO -0.04 -1.75 -0.17 -0.89 -0.00 0.00 0.00 176.95 174.11 1a0q n ILE 48 N 4.42 1.51 0.00 5.86 5.41 -0.19 -4.66 119.36 131.71 1a0q n ILE 48 Ca 0.11 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1a0q n ILE 48 Cb 0.45 -2.08 0.00 0.00 -0.71 0.00 0.00 39.64 37.30 1a0q n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1a0q n GLY 49 N 1.39 0.76 3.23 7.39 0.00 -1.21 -0.79 105.19 115.96 1a0q n GLY 49 Ca -0.35 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 1a0q n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a0q s TYR 50 N -2.00 1.14 0.04 1.61 -0.85 -0.59 -1.00 117.35 115.71 1a0q s TYR 50 Ca 0.00 -0.89 0.06 0.00 -0.52 0.00 0.00 57.07 55.72 1a0q s TYR 50 Cb 0.00 -0.63 -0.02 0.00 0.38 0.00 0.00 41.96 41.69 1a0q s TYR 50 CO 0.00 -0.09 -0.17 -1.50 -1.52 0.00 0.00 175.55 172.28 1a0q s ILE 51 N -3.53 1.35 -0.36 -3.49 2.07 -0.97 -1.60 121.20 114.68 1a0q s ILE 51 Ca 0.18 -1.09 -0.13 0.00 -1.41 0.00 0.00 60.65 58.20 1a0q s ILE 51 Cb 0.05 -1.20 -0.00 0.00 0.13 0.00 0.00 42.46 41.43 1a0q s ILE 51 CO 0.00 0.09 0.25 -0.44 -1.91 0.00 0.00 174.94 172.93 1a0q s SER 52 N -1.17 5.99 0.13 4.50 0.01 0.68 -2.25 113.70 121.59 1a0q s SER 52 Ca 0.04 -0.64 -0.31 0.00 1.31 0.00 0.00 55.95 56.35 1a0q s SER 52 Cb -0.08 -2.12 -0.10 0.00 0.21 0.00 0.00 66.02 63.93 1a0q s SER 52 CO 0.02 -0.31 1.73 -2.84 0.41 0.00 0.00 173.24 172.24 1a0q s PRO 52 N 1.68 4.16 0.00 12.44 0.02 -1.26 -0.69 135.00 151.36 1a0q s PRO 52 Ca 0.05 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.56 1a0q s PRO 52 Cb -0.18 -3.45 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1a0q s PRO 52 CO 0.10 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 1a0q n GLY 53 N 4.06 2.17 0.17 0.52 0.00 -1.26 -4.52 105.19 106.33 1a0q n GLY 53 Ca 0.16 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.45 1a0q n GLY 53 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1a0q h ASN 54 N 0.00 0.07 0.00 1.61 -0.26 -1.94 -3.47 115.58 111.59 1a0q h ASN 54 Ca 0.00 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1a0q h ASN 54 Cb 0.00 0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1a0q h ASN 54 CO 0.00 0.07 0.00 0.61 -1.06 0.00 0.00 177.43 177.05 1a0q n GLY 55 N -1.24 1.40 3.69 2.83 0.00 0.14 -5.01 105.19 106.99 1a0q n GLY 55 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1a0q n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a0q s ASP 56 N -3.16 6.73 -0.10 1.61 -1.08 -1.25 -4.58 116.67 114.84 1a0q s ASP 56 Ca 0.00 2.33 0.02 0.00 -0.52 0.00 0.00 52.55 54.37 1a0q s ASP 56 Cb 0.00 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1a0q s ASP 56 CO 0.00 -0.79 -0.16 -0.63 0.52 0.00 0.00 175.17 174.11 1a0q s ILE 57 N 2.24 2.78 -0.03 4.11 1.01 -1.26 -0.23 121.20 129.81 1a0q s ILE 57 Ca 0.68 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1a0q s ILE 57 Cb -0.36 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 1a0q s ILE 57 CO 0.30 0.55 -0.23 -0.54 0.00 0.00 0.00 174.94 175.01 1a0q s LYS 58 N 0.09 2.26 0.18 2.79 -0.14 -0.62 -5.01 119.74 119.29 1a0q s LYS 58 Ca -0.07 -0.88 0.08 0.00 -1.36 0.00 0.00 55.97 53.74 1a0q s LYS 58 Cb -0.15 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 33.82 1a0q s LYS 58 CO 0.05 0.55 -0.15 0.71 -0.76 0.00 0.00 175.35 175.75 1a0q s TYR 59 N -0.57 1.69 0.14 3.18 2.02 -1.26 -1.54 117.35 121.00 1a0q s TYR 59 Ca 0.09 -0.55 -0.30 0.00 -0.37 0.00 0.00 57.07 55.94 1a0q s TYR 59 Cb -0.11 -0.81 -0.06 0.00 -0.40 0.00 0.00 41.96 40.58 1a0q s TYR 59 CO -0.00 0.32 1.00 1.21 -1.57 0.00 0.00 175.55 176.51 1a0q s ASN 60 N -3.03 7.45 0.41 2.29 3.84 0.03 -4.94 114.94 120.99 1a0q s ASN 60 Ca 0.19 1.88 0.14 0.00 0.21 0.00 0.00 52.86 55.27 1a0q s ASN 60 Cb -0.03 -2.59 0.99 0.00 -0.55 0.00 0.00 41.25 39.08 1a0q s ASN 60 CO 0.06 -0.09 1.93 1.05 -2.79 0.00 0.00 177.10 177.26 1a0q h GLU 61 N 5.37 0.46 -0.22 0.43 4.11 -1.95 -0.93 114.58 121.85 1a0q h GLU 61 Ca -0.43 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 1a0q h GLU 61 Cb 1.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1a0q h GLU 61 CO 0.72 0.30 0.02 -0.22 0.07 0.00 0.00 179.01 179.90 1a0q h LYS 62 N 0.47 0.31 -0.02 1.06 3.64 -1.96 -3.02 116.57 117.06 1a0q h LYS 62 Ca 0.35 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1a0q h LYS 62 Cb 0.72 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1a0q h LYS 62 CO -0.12 0.32 -0.25 1.19 -2.27 0.00 0.00 179.45 178.32 1a0q n PHE 63 N -4.38 0.00 -1.93 1.91 3.72 -0.40 -4.79 117.46 111.59 1a0q n PHE 63 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1a0q n PHE 63 Cb 0.18 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 1a0q n PHE 63 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1a0q s LYS 64 N -2.27 4.18 0.00 -1.08 1.02 -0.91 -0.76 119.74 119.92 1a0q s LYS 64 Ca 0.24 2.30 0.00 0.00 0.02 0.00 0.00 55.97 58.53 1a0q s LYS 64 Cb 0.19 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1a0q s LYS 64 CO 0.45 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1a0q n GLY 65 N 4.18 3.03 0.10 -3.33 0.00 -1.26 -4.78 105.19 103.13 1a0q n GLY 65 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1a0q n GLY 65 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1a0q h LYS 66 N 0.71 0.23 -6.54 1.61 1.63 -1.63 -3.44 116.57 109.13 1a0q h LYS 66 Ca 0.00 -0.40 -0.69 0.00 -0.85 0.00 0.00 60.65 58.71 1a0q h LYS 66 Cb 0.00 0.15 -0.25 0.00 -0.60 0.00 0.00 32.23 31.53 1a0q h LYS 66 CO 0.00 1.19 -0.83 0.00 -3.45 0.00 0.00 179.45 176.36 1a0q s ALA 67 N -2.38 2.46 -0.19 5.00 0.00 0.06 -1.44 121.76 125.27 1a0q s ALA 67 Ca -0.15 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 50.67 1a0q s ALA 67 Cb 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.46 1a0q s ALA 67 CO 0.80 0.55 -0.05 0.99 0.00 0.00 0.00 175.76 178.06 1a0q s THR 68 N -0.79 1.18 -0.06 0.00 2.01 0.01 -4.78 115.64 113.22 1a0q s THR 68 Ca 0.12 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.18 1a0q s THR 68 Cb -0.10 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 1a0q s THR 68 CO 0.02 0.03 0.38 -0.76 -0.69 0.00 0.00 174.62 173.60 1a0q s LEU 69 N 1.58 4.40 0.19 4.42 1.43 -1.26 -1.64 118.68 127.80 1a0q s LEU 69 Ca -0.01 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 1a0q s LEU 69 Cb -0.16 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 1a0q s LEU 69 CO -0.07 0.24 0.01 -0.89 0.23 0.00 0.00 176.35 175.87 1a0q s THR 70 N -0.55 0.72 -0.06 5.49 2.01 -0.59 -5.00 115.64 117.67 1a0q s THR 70 Ca 0.22 -1.99 -0.18 0.00 0.31 0.00 0.00 61.69 60.05 1a0q s THR 70 Cb -0.15 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.18 1a0q s THR 70 CO 0.10 -0.40 0.40 0.00 -0.69 0.00 0.00 174.62 174.03 1a0q s ALA 71 N -3.63 -1.02 -0.29 7.40 0.00 -1.26 -0.87 121.76 122.09 1a0q s ALA 71 Ca 0.26 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1a0q s ALA 71 Cb 0.06 -0.14 0.09 0.00 0.00 0.00 0.00 23.12 23.13 1a0q s ALA 71 CO 0.06 -0.26 0.06 0.34 0.00 0.00 0.00 175.76 175.95 1a0q s ASP 72 N -0.91 4.00 0.23 0.00 2.15 -0.33 -4.98 116.67 116.84 1a0q s ASP 72 Ca -0.10 -1.56 -0.07 0.00 0.43 0.00 0.00 52.55 51.25 1a0q s ASP 72 Cb -0.04 -1.01 0.27 0.00 -0.30 0.00 0.00 42.92 41.84 1a0q s ASP 72 CO 0.04 -0.37 1.88 0.11 -0.17 0.00 0.00 175.17 176.66 1a0q h LYS 73 N 8.01 1.04 -0.13 4.34 1.57 -1.97 -0.27 116.57 129.16 1a0q h LYS 73 Ca -0.13 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1a0q h LYS 73 Cb 1.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1a0q h LYS 73 CO 0.46 0.69 0.10 0.66 -0.57 0.00 0.00 179.45 180.78 1a0q h SER 74 N 1.07 0.00 -0.11 0.86 4.64 -1.98 -2.50 113.55 115.54 1a0q h SER 74 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1a0q h SER 74 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1a0q h SER 74 CO -0.12 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.30 1a0q n SER 75 N -4.36 2.05 -3.83 4.97 3.41 -1.06 -5.02 113.62 109.78 1a0q n SER 75 Ca 0.00 -1.61 -0.24 0.00 -0.26 0.00 0.00 58.87 56.76 1a0q n SER 75 Cb 0.22 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1a0q n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a0q n SER 76 N 0.30 -0.81 -3.74 4.04 7.64 -0.16 -4.81 113.62 116.08 1a0q n SER 76 Ca 0.06 -0.91 -0.21 0.00 1.01 0.00 0.00 58.87 58.81 1a0q n SER 76 Cb 0.26 -3.55 -0.18 0.00 -1.01 0.00 0.00 64.21 59.74 1a0q n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1a0q s THR 77 N -3.80 0.18 0.13 0.44 2.01 -0.92 -0.85 115.64 112.83 1a0q s THR 77 Ca 0.02 0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.06 1a0q s THR 77 Cb -0.01 -0.37 -0.07 0.00 0.01 0.00 0.00 72.50 72.05 1a0q s THR 77 CO 0.85 0.22 0.63 0.00 -0.69 0.00 0.00 174.62 175.64 1a0q s ALA 78 N 1.99 3.53 0.16 7.40 0.00 -0.85 -1.18 121.76 132.81 1a0q s ALA 78 Ca 0.04 0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1a0q s ALA 78 Cb -0.12 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1a0q s ALA 78 CO -0.04 0.38 -0.18 0.71 0.00 0.00 0.00 175.76 176.62 1a0q s TYR 79 N -1.25 1.81 -0.05 0.00 1.51 -0.05 -0.14 117.35 119.17 1a0q s TYR 79 Ca 0.34 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1a0q s TYR 79 Cb -0.19 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1a0q s TYR 79 CO 0.21 0.32 -0.04 1.41 -1.11 0.00 0.00 175.55 176.34 1a0q s MET 80 N -2.79 0.87 -0.15 -0.62 1.75 -0.64 -1.55 119.30 116.17 1a0q s MET 80 Ca 0.15 -0.10 -0.05 0.00 -1.25 0.00 0.00 55.69 54.44 1a0q s MET 80 Cb -0.06 -0.91 -0.04 0.00 2.84 0.00 0.00 34.83 36.66 1a0q s MET 80 CO 0.06 -0.11 0.04 -1.14 -0.65 0.00 0.00 175.02 173.22 1a0q s GLN 81 N 1.07 3.63 -0.06 4.11 0.74 -0.65 -1.06 119.66 127.44 1a0q s GLN 81 Ca -0.09 -0.36 0.05 0.00 0.05 0.00 0.00 55.36 55.01 1a0q s GLN 81 Cb -0.14 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 1a0q s GLN 81 CO -0.01 0.43 -0.22 -0.51 -0.55 0.00 0.00 175.29 174.43 1a0q s LEU 82 N -0.10 2.25 0.29 3.68 1.43 -0.47 -0.81 118.68 124.95 1a0q s LEU 82 Ca 0.06 -0.44 0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1a0q s LEU 82 Cb -0.12 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1a0q s LEU 82 CO 0.01 0.26 -0.10 0.20 0.23 0.00 0.00 176.35 176.95 1a0q s ASN 82 N -0.22 3.97 -1.03 2.29 -0.87 -0.52 -1.57 114.94 116.98 1a0q s ASN 82 Ca -0.01 -0.92 -0.22 0.00 -1.57 0.00 0.00 52.86 50.14 1a0q s ASN 82 Cb -0.13 -0.50 0.03 0.00 -0.02 0.00 0.00 41.25 40.63 1a0q s ASN 82 CO 0.03 -0.03 0.62 -1.20 -2.57 0.00 0.00 177.10 173.96 1a0q n SER 82 N -0.76 -4.13 -4.71 -1.22 7.64 -1.19 -4.80 113.62 104.44 1a0q n SER 82 Ca -0.05 -1.15 -0.42 0.00 1.01 0.00 0.00 58.87 58.26 1a0q n SER 82 Cb 0.60 -1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.26 1a0q n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a0q s LEU 82 N -6.52 4.37 0.43 -3.43 1.43 -0.78 -4.63 118.68 109.55 1a0q s LEU 82 Ca 0.31 2.24 0.06 0.00 -1.03 0.00 0.00 54.13 55.71 1a0q s LEU 82 Cb -0.17 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 1a0q s LEU 82 CO 0.91 -0.60 0.02 0.42 0.23 0.00 0.00 176.35 177.32 1a0q s THR 83 N 1.09 1.88 -0.01 5.49 -4.23 -1.26 -0.20 115.64 118.40 1a0q s THR 83 Ca 0.63 -1.98 0.31 0.00 -1.18 0.00 0.00 61.69 59.47 1a0q s THR 83 Cb -0.35 -2.86 0.35 0.00 1.34 0.00 0.00 72.50 70.97 1a0q s THR 83 CO 0.30 0.00 1.94 0.77 -0.54 0.00 0.00 174.62 177.09 1a0q h SER 84 N 1.68 0.00 0.85 3.99 4.64 -1.96 -1.64 113.55 121.11 1a0q h SER 84 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1a0q h SER 84 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1a0q h SER 84 CO 0.79 0.00 -0.15 -0.33 -0.87 0.00 0.00 176.83 176.28 1a0q h GLU 85 N 0.00 0.00 -0.00 4.77 4.39 -1.96 -1.67 114.58 120.11 1a0q h GLU 85 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a0q h GLU 85 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1a0q h GLU 85 CO 0.00 0.15 -0.02 -0.25 -1.16 0.00 0.00 179.01 177.72 1a0q n ASP 86 N -3.34 0.10 -4.64 1.42 8.00 -0.62 -4.71 116.55 112.76 1a0q n ASP 86 Ca -0.00 -0.35 -0.43 0.00 0.71 0.00 0.00 54.79 54.72 1a0q n ASP 86 Cb 0.36 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1a0q n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1a0q s SER 87 N -2.47 6.59 0.03 -2.24 0.01 -0.63 -4.84 113.70 110.14 1a0q s SER 87 Ca 0.31 1.71 -0.28 0.00 1.31 0.00 0.00 55.95 59.00 1a0q s SER 87 Cb 0.20 -2.53 0.10 0.00 0.21 0.00 0.00 66.02 64.00 1a0q s SER 87 CO 0.45 -1.07 1.22 0.00 0.41 0.00 0.00 173.24 174.26 1a0q s ALA 88 N 4.52 -2.20 -0.15 1.44 0.00 -0.80 -4.79 121.76 119.79 1a0q s ALA 88 Ca 0.66 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 1a0q s ALA 88 Cb -0.25 0.70 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1a0q s ALA 88 CO 0.26 -1.10 0.28 0.08 0.00 0.00 0.00 175.76 175.27 1a0q s VAL 89 N -2.22 5.30 -0.21 0.00 1.01 -0.73 -1.27 120.40 122.28 1a0q s VAL 89 Ca 0.23 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 1a0q s VAL 89 Cb 0.01 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1a0q s VAL 89 CO -0.00 0.43 -0.02 -0.31 0.00 0.00 0.00 175.10 175.20 1a0q s TYR 90 N 0.20 2.99 -0.17 5.22 2.02 -0.13 0.47 117.35 127.95 1a0q s TYR 90 Ca 0.16 -0.71 -0.05 0.00 -0.37 0.00 0.00 57.07 56.11 1a0q s TYR 90 Cb -0.13 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1a0q s TYR 90 CO 0.04 -0.41 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.09 1a0q s LEU 91 N 1.31 3.36 0.13 -1.29 1.43 -0.53 -1.76 118.68 121.33 1a0q s LEU 91 Ca 0.04 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1a0q s LEU 91 Cb -0.14 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1a0q s LEU 91 CO -0.00 0.14 0.37 0.00 0.23 0.00 0.00 176.35 177.09 1a0q s LYS 93 N -2.58 0.68 -0.21 0.00 2.20 0.34 -0.42 119.74 119.75 1a0q s LYS 93 Ca 0.40 -0.89 -0.17 0.00 -0.36 0.00 0.00 55.97 54.96 1a0q s LYS 93 Cb -0.12 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.64 1a0q s LYS 93 CO 0.24 0.10 0.43 0.50 -0.36 0.00 0.00 175.35 176.26 1a0q s ARG 94 N -1.82 4.17 -0.11 4.03 3.52 -0.40 -1.01 118.95 127.33 1a0q s ARG 94 Ca -0.05 0.25 -0.38 0.00 -0.13 0.00 0.00 55.73 55.43 1a0q s ARG 94 Cb -0.09 -3.55 -0.15 0.00 -1.56 0.00 0.00 34.95 29.60 1a0q s ARG 94 CO 0.01 -0.09 1.65 0.41 -0.81 0.00 0.00 175.30 176.47 1a0q n GLY 95 N 3.97 0.89 3.22 8.12 0.00 -0.52 -4.56 105.19 116.30 1a0q n GLY 95 Ca -0.07 0.83 -0.42 0.00 0.00 0.00 0.00 46.02 46.37 1a0q n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a0q s TYR 96 N 2.60 3.41 -0.47 1.61 2.02 -1.26 -4.77 117.35 120.50 1a0q s TYR 96 Ca 0.92 -1.83 0.11 0.00 -0.37 0.00 0.00 57.07 55.91 1a0q s TYR 96 Cb -0.94 -3.54 0.31 0.00 -0.40 0.00 0.00 41.96 37.39 1a0q s TYR 96 CO 0.56 -0.99 1.24 2.48 -1.57 0.00 0.00 175.55 177.27 1a0q n TYR 97 N 4.88 0.46 0.00 2.71 0.18 -1.26 -5.18 117.16 118.95 1a0q n TYR 97 Ca -0.08 -0.66 0.00 0.00 1.88 0.00 0.00 57.90 59.05 1a0q n TYR 97 Cb 0.41 -0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.24 1a0q n TYR 97 CO 0.00 0.00 0.00 1.55 -2.08 0.00 0.00 176.86 176.33 1a0q n VAL 100 N -0.15 0.00 -3.96 -3.48 3.14 -1.26 -5.28 118.33 107.34 1a0q n VAL 100 Ca 0.13 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.16 1a0q n VAL 100 Cb 0.54 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.18 1a0q n VAL 100 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1a0q s ASP 101 N 0.00 4.16 -0.18 6.55 2.15 -1.26 -5.10 116.67 122.99 1a0q s ASP 101 Ca 0.00 -0.42 -0.07 0.00 0.43 0.00 0.00 52.55 52.49 1a0q s ASP 101 Cb 0.00 -1.71 -0.04 0.00 -0.30 0.00 0.00 42.92 40.87 1a0q s ASP 101 CO 0.00 -0.01 0.05 -0.31 -0.17 0.00 0.00 175.17 174.73 1a0q s TYR 102 N 1.42 3.24 0.26 -5.34 1.51 -1.26 -5.05 117.35 112.12 1a0q s TYR 102 Ca 0.05 0.05 0.12 0.00 -1.01 0.00 0.00 57.07 56.28 1a0q s TYR 102 Cb -0.14 -2.07 -0.05 0.00 -0.11 0.00 0.00 41.96 39.59 1a0q s TYR 102 CO -0.04 0.15 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.76 1a0q s TRP 103 N 0.36 2.24 1.04 2.71 0.52 -1.26 -1.27 118.94 123.28 1a0q s TRP 103 Ca 0.03 -0.35 -0.17 0.00 0.02 0.00 0.00 56.10 55.63 1a0q s TRP 103 Cb -0.12 -1.00 0.22 0.00 -1.15 0.00 0.00 33.47 31.42 1a0q s TRP 103 CO 0.00 0.66 1.22 0.20 0.02 0.00 0.00 176.95 179.05 1a0q s GLY 104 N -3.36 1.68 0.21 0.98 0.00 0.44 -4.74 107.32 102.53 1a0q s GLY 104 Ca 0.28 -1.02 0.18 0.00 0.00 0.00 0.00 44.72 44.15 1a0q s GLY 104 CO 0.14 -0.24 1.19 0.06 0.00 0.00 0.00 173.10 174.25 1a0q h GLN 105 N -1.95 0.00 0.00 2.90 -0.00 -1.89 -3.45 115.11 110.72 1a0q h GLN 105 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 1a0q h GLN 105 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1a0q h GLN 105 CO 0.40 0.30 0.00 0.41 -0.00 0.00 0.00 178.83 179.93 1a0q n GLY 106 N 1.26 3.05 2.69 0.06 0.00 -1.26 -5.04 105.19 105.95 1a0q n GLY 106 Ca -0.02 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 1a0q n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0q s THR 107 N -2.35 0.11 -0.35 2.61 2.01 -0.72 -4.84 115.64 112.11 1a0q s THR 107 Ca 0.00 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.79 1a0q s THR 107 Cb 0.00 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 72.02 1a0q s THR 107 CO 0.00 0.01 0.85 -0.89 -0.69 0.00 0.00 174.62 173.90 1a0q s THR 108 N 2.07 4.68 -0.18 -0.82 2.01 -1.26 -0.95 115.64 121.18 1a0q s THR 108 Ca 0.03 1.11 -0.07 0.00 0.31 0.00 0.00 61.69 63.07 1a0q s THR 108 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1a0q s THR 108 CO -0.06 -0.44 0.06 -0.22 -0.69 0.00 0.00 174.62 173.27 1a0q s LEU 109 N 3.24 3.81 -0.09 4.42 2.96 -0.39 -1.42 118.68 131.21 1a0q s LEU 109 Ca 0.35 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.38 1a0q s LEU 109 Cb -0.13 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.60 1a0q s LEU 109 CO 0.17 0.17 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.24 1a0q s THR 110 N 0.37 2.04 -0.33 3.68 2.01 -0.27 -1.90 115.64 121.25 1a0q s THR 110 Ca 0.03 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 60.97 1a0q s THR 110 Cb -0.12 -1.76 0.06 0.00 0.01 0.00 0.00 72.50 70.68 1a0q s THR 110 CO 0.00 0.56 0.08 -0.69 -0.69 0.00 0.00 174.62 173.88 1a0q s VAL 111 N 0.22 3.36 -0.03 3.82 1.01 -1.26 -1.33 120.40 126.19 1a0q s VAL 111 Ca -0.15 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.15 1a0q s VAL 111 Cb -0.17 -2.98 0.10 0.00 0.00 0.00 0.00 36.38 33.33 1a0q s VAL 111 CO 0.08 -0.23 0.83 -0.55 0.00 0.00 0.00 175.10 175.22 1a0q s SER 112 N 1.42 -0.47 0.39 3.32 0.15 -0.38 -4.54 113.70 113.59 1a0q s SER 112 Ca -0.02 0.28 0.24 0.00 0.70 0.00 0.00 55.95 57.15 1a0q s SER 112 Cb -0.20 0.43 0.43 0.00 -1.71 0.00 0.00 66.02 64.97 1a0q s SER 112 CO -0.00 -0.59 1.63 0.28 1.20 0.00 0.00 173.24 175.76 1a0q h SER 113 N 2.39 0.00 -3.94 5.45 0.02 -1.94 -3.28 113.55 112.24 1a0q h SER 113 Ca -0.24 -0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.21 1a0q h SER 113 Cb 1.21 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.95 1a0q h SER 113 CO 0.34 0.00 0.09 0.00 -1.14 0.00 0.00 176.83 176.12 1a0q n ALA 114 N -2.04 -1.47 -2.25 3.77 0.00 -1.26 -5.04 120.51 112.22 1a0q n ALA 114 Ca 0.04 -0.72 -0.19 0.00 0.00 0.00 0.00 53.44 52.57 1a0q n ALA 114 Cb 0.51 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.83 1a0q n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a0q s LYS 115 N -4.49 2.79 0.03 0.00 1.02 -1.26 -5.02 119.74 112.80 1a0q s LYS 115 Ca 0.66 -1.28 -0.26 0.00 0.02 0.00 0.00 55.97 55.12 1a0q s LYS 115 Cb -0.23 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.41 1a0q s LYS 115 CO 0.60 -0.12 0.80 0.95 -0.92 0.00 0.00 175.35 176.66 1a0q s THR 116 N -2.34 4.78 -0.19 2.17 -4.23 -1.26 -4.70 115.64 109.87 1a0q s THR 116 Ca 0.49 1.68 0.01 0.00 -1.18 0.00 0.00 61.69 62.69 1a0q s THR 116 Cb -0.07 -4.14 0.03 0.00 1.34 0.00 0.00 72.50 69.66 1a0q s THR 116 CO 0.30 0.32 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.65 1a0q s THR 117 N 0.22 1.90 0.59 3.99 2.01 -0.75 -4.95 115.64 118.64 1a0q s THR 117 Ca 0.41 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.20 1a0q s THR 117 Cb -0.20 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1a0q s THR 117 CO 0.23 0.36 1.27 -0.81 -0.69 0.00 0.00 174.62 174.98 1a0q n PRO 118 N 4.63 1.36 -2.33 4.92 -0.04 -1.26 -1.05 135.00 141.23 1a0q n PRO 118 Ca -0.18 0.51 -0.34 0.00 -0.04 0.00 0.00 63.50 63.45 1a0q n PRO 118 Cb 0.48 -2.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.44 1a0q n PRO 118 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1a0q s PRO 119 N -3.03 3.52 -0.34 0.54 0.04 -1.26 -4.60 135.00 129.87 1a0q s PRO 119 Ca 0.76 1.41 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 1a0q s PRO 119 Cb -0.41 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1a0q s PRO 119 CO 0.46 -0.67 0.41 -1.12 0.04 0.00 0.00 177.00 176.12 1a0q s SER 120 N -2.09 6.22 -0.37 6.66 0.01 -0.14 -4.90 113.70 119.09 1a0q s SER 120 Ca 0.68 -0.17 -0.19 0.00 1.31 0.00 0.00 55.95 57.59 1a0q s SER 120 Cb -0.19 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1a0q s SER 120 CO 0.26 -0.38 0.55 -0.69 0.41 0.00 0.00 173.24 173.39 1a0q s VAL 121 N 2.14 4.97 -0.20 3.43 1.01 -1.26 -1.51 120.40 128.98 1a0q s VAL 121 Ca 0.14 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1a0q s VAL 121 Cb -0.16 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1a0q s VAL 121 CO 0.12 -0.31 0.06 -0.31 0.00 0.00 0.00 175.10 174.66 1a0q s TYR 122 N 2.50 3.19 0.19 5.22 2.02 0.05 -4.92 117.35 125.60 1a0q s TYR 122 Ca 0.20 -0.07 -0.31 0.00 -0.37 0.00 0.00 57.07 56.52 1a0q s TYR 122 Cb -0.15 -2.12 -0.10 0.00 -0.40 0.00 0.00 41.96 39.19 1a0q s TYR 122 CO 0.15 0.00 1.49 -1.25 -1.57 0.00 0.00 175.55 174.36 1a0q s PRO 123 N 0.74 4.25 -0.43 -1.71 0.04 -1.26 -1.10 135.00 135.53 1a0q s PRO 123 Ca 0.03 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 1a0q s PRO 123 Cb -0.13 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.37 1a0q s PRO 123 CO 0.02 -0.50 0.21 -0.51 0.04 0.00 0.00 177.00 176.26 1a0q s LEU 124 N 0.48 5.10 0.00 -3.56 1.43 -0.09 -4.93 118.68 117.11 1a0q s LEU 124 Ca 0.65 -2.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 1a0q s LEU 124 Cb -0.42 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1a0q s LEU 124 CO 0.36 -0.47 0.08 0.00 0.23 0.00 0.00 176.35 176.55 1a0q s ALA 125 N 0.83 3.56 0.00 4.21 0.00 -1.26 -1.57 121.76 127.52 1a0q s ALA 125 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1a0q s ALA 125 Cb -0.22 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1a0q s ALA 125 CO -0.05 0.69 0.00 -0.35 0.00 0.00 0.00 175.76 176.06 1a0q n PRO 126 N 1.12 1.04 0.00 0.00 -0.04 -1.26 -5.06 135.00 130.80 1a0q n PRO 126 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1a0q n PRO 126 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1a0q n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a0q n SER 134 N 0.00 0.00 -4.12 3.54 2.88 -1.26 -5.21 113.62 109.45 1a0q n SER 134 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1a0q n SER 134 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1a0q n SER 134 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1a0q s MET 135 N -2.08 2.40 0.05 -1.46 1.00 -1.26 -1.65 119.30 116.29 1a0q s MET 135 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 55.69 55.05 1a0q s MET 135 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 34.83 32.90 1a0q s MET 135 CO 0.00 0.08 0.14 0.54 0.00 0.00 0.00 175.02 175.77 1a0q s VAL 136 N 0.58 4.96 -0.11 -6.03 0.11 0.27 -4.78 120.40 115.41 1a0q s VAL 136 Ca -0.15 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 58.41 1a0q s VAL 136 Cb -0.17 -3.37 -0.01 0.00 -1.53 0.00 0.00 36.38 31.30 1a0q s VAL 136 CO 0.05 0.19 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.95 1a0q s THR 137 N -1.39 2.74 0.49 5.04 2.01 -1.26 -1.02 115.64 122.24 1a0q s THR 137 Ca 0.30 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.54 1a0q s THR 137 Cb -0.12 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 1a0q s THR 137 CO 0.22 0.55 0.08 -0.76 -0.69 0.00 0.00 174.62 174.02 1a0q s LEU 138 N 0.15 2.52 0.25 4.42 1.43 -0.21 -4.64 118.68 122.60 1a0q s LEU 138 Ca -0.09 -1.50 -0.21 0.00 -1.03 0.00 0.00 54.13 51.30 1a0q s LEU 138 Cb -0.15 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.22 1a0q s LEU 138 CO 0.06 -0.81 0.87 -0.83 0.23 0.00 0.00 176.35 175.87 1a0q s GLY 139 N -3.92 0.02 -0.01 -3.19 0.00 -0.61 -2.06 107.32 97.55 1a0q s GLY 139 Ca 0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 44.72 44.59 1a0q s GLY 139 CO 0.10 0.37 0.03 0.00 0.00 0.00 0.00 173.10 173.59 1a0q s LEU 141 N 0.48 3.44 -0.75 0.00 2.96 -0.26 -1.30 118.68 123.25 1a0q s LEU 141 Ca -0.04 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.28 1a0q s LEU 141 Cb -0.06 -1.85 0.20 0.00 0.50 0.00 0.00 46.19 44.98 1a0q s LEU 141 CO -0.01 -0.09 0.68 -0.69 -1.32 0.00 0.00 176.35 174.92 1a0q s VAL 142 N 1.53 5.33 -0.08 1.68 1.01 0.27 -0.77 120.40 129.37 1a0q s VAL 142 Ca 0.05 -2.33 -0.01 0.00 0.00 0.00 0.00 61.98 59.69 1a0q s VAL 142 Cb -0.16 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1a0q s VAL 142 CO 0.01 -0.98 -0.04 -0.75 0.00 0.00 0.00 175.10 173.35 1a0q s LYS 143 N 0.43 2.88 -1.04 2.72 2.20 -0.57 -1.36 119.74 125.00 1a0q s LYS 143 Ca 0.15 -0.48 -0.06 0.00 -0.36 0.00 0.00 55.97 55.22 1a0q s LYS 143 Cb -0.15 -2.69 -0.07 0.00 -1.51 0.00 0.00 37.83 33.41 1a0q s LYS 143 CO -0.06 0.67 0.91 0.41 -0.36 0.00 0.00 175.35 176.92 1a0q n GLY 144 N 2.22 -1.15 3.64 5.54 0.00 -0.15 -0.97 105.19 114.32 1a0q n GLY 144 Ca -0.18 0.58 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 1a0q n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a0q s TYR 145 N -3.38 2.56 -0.26 1.61 1.13 -0.25 -4.56 117.35 114.19 1a0q s TYR 145 Ca 0.45 -0.46 -0.19 0.00 -1.41 0.00 0.00 57.07 55.46 1a0q s TYR 145 Cb -0.06 -1.56 0.07 0.00 -1.10 0.00 0.00 41.96 39.31 1a0q s TYR 145 CO 0.73 0.44 0.66 0.12 -2.51 0.00 0.00 175.55 175.00 1a0q s PHE 146 N -2.54 -0.89 0.29 -3.49 5.36 -0.21 -0.85 117.98 115.65 1a0q s PHE 146 Ca 0.36 1.93 0.02 0.00 -0.96 0.00 0.00 56.93 58.28 1a0q s PHE 146 Cb 0.01 0.44 0.05 0.00 -0.34 0.00 0.00 43.02 43.18 1a0q s PHE 146 CO 0.20 -0.44 0.41 -0.35 -1.46 0.00 0.00 175.22 173.57 1a0q n PRO 147 N 3.60 0.57 -1.61 10.12 -0.04 -1.26 -1.81 135.00 144.56 1a0q n PRO 147 Ca -0.18 -1.33 -0.34 0.00 -0.04 0.00 0.00 63.50 61.61 1a0q n PRO 147 Cb 0.57 -0.20 0.07 0.00 -0.04 0.00 0.00 33.50 33.90 1a0q n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a0q s GLU 148 N -3.39 2.44 0.66 0.54 0.41 -1.26 -4.75 118.70 113.34 1a0q s GLU 148 Ca 0.29 1.68 0.04 0.00 -0.41 0.00 0.00 54.97 56.57 1a0q s GLU 148 Cb -0.02 -1.88 0.11 0.00 -1.78 0.00 0.00 34.13 30.56 1a0q s GLU 148 CO 0.19 -1.59 0.90 -1.25 -0.49 0.00 0.00 175.26 173.02 1a0q s PRO 149 N -3.85 1.95 0.03 0.39 0.04 -1.26 -4.86 135.00 127.44 1a0q s PRO 149 Ca 0.73 -1.38 0.03 0.00 0.04 0.00 0.00 61.00 60.42 1a0q s PRO 149 Cb -0.27 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 1a0q s PRO 149 CO 0.42 -1.19 -0.10 0.08 0.04 0.00 0.00 177.00 176.26 1a0q s VAL 150 N -2.92 0.72 -0.07 -0.36 1.01 -1.26 -4.20 120.40 113.32 1a0q s VAL 150 Ca 0.64 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1a0q s VAL 150 Cb -0.05 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1a0q s VAL 150 CO 0.42 -0.11 -0.14 0.42 0.00 0.00 0.00 175.10 175.69 1a0q s THR 151 N -0.86 1.28 -0.17 3.92 -4.23 -0.34 -4.96 115.64 110.28 1a0q s THR 151 Ca -0.03 -0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 59.89 1a0q s THR 151 Cb -0.07 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.59 1a0q s THR 151 CO 0.01 0.39 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.74 1a0q s VAL 152 N 0.66 3.70 0.34 2.29 1.01 -1.26 -0.98 120.40 126.16 1a0q s VAL 152 Ca -0.14 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1a0q s VAL 152 Cb -0.16 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 1a0q s VAL 152 CO 0.04 0.48 -0.05 0.42 0.00 0.00 0.00 175.10 175.98 1a0q s THR 153 N 0.61 1.97 -0.08 3.92 -4.23 0.20 -4.97 115.64 113.06 1a0q s THR 153 Ca -0.03 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 58.37 1a0q s THR 153 Cb -0.15 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.02 1a0q s THR 153 CO 0.03 -0.17 -0.13 0.26 -0.54 0.00 0.00 174.62 174.06 1a0q s TRP 154 N -2.78 1.67 -1.58 3.99 0.52 -1.26 -0.48 118.94 119.02 1a0q s TRP 154 Ca 0.33 -0.70 -0.14 0.00 0.02 0.00 0.00 56.10 55.61 1a0q s TRP 154 Cb 0.05 -1.22 0.10 0.00 -1.15 0.00 0.00 33.47 31.25 1a0q s TRP 154 CO 0.16 -0.37 0.86 0.09 0.02 0.00 0.00 176.95 177.71 1a0q n ASN 155 N 4.04 -3.78 -3.35 2.95 4.13 -0.26 -1.93 115.26 117.05 1a0q n ASN 155 Ca -0.20 -0.88 -0.23 0.00 1.68 0.00 0.00 54.58 54.94 1a0q n ASN 155 Cb 0.51 -3.42 0.06 0.00 -1.54 0.00 0.00 39.78 35.40 1a0q n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1a0q n SER 156 N -2.79 -6.31 0.00 6.41 7.64 -1.26 -2.27 113.62 115.04 1a0q n SER 156 Ca 0.02 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.46 1a0q n SER 156 Cb 0.53 -5.02 0.00 0.00 -1.01 0.00 0.00 64.21 58.71 1a0q n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a0q n GLY 157 N -1.81 0.76 0.14 0.23 0.00 -0.81 -4.95 105.19 98.74 1a0q n GLY 157 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1a0q n GLY 157 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a0q h SER 158 N 0.00 0.00 -3.27 1.61 0.02 -1.28 -3.44 113.55 107.18 1a0q h SER 158 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 1a0q h SER 158 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 1a0q h SER 158 CO 0.00 0.46 -0.61 -0.76 -1.14 0.00 0.00 176.83 174.78 1a0q s LEU 159 N -6.30 3.64 0.13 5.07 1.43 -1.07 -4.96 118.68 116.62 1a0q s LEU 159 Ca 0.03 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1a0q s LEU 159 Cb 0.08 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1a0q s LEU 159 CO 0.75 0.37 0.00 -0.24 0.23 0.00 0.00 176.35 177.46 1a0q n SER 160 N 2.05 -1.03 0.21 2.29 2.88 -1.26 -4.38 113.62 114.37 1a0q n SER 160 Ca -0.18 0.25 0.07 0.00 -1.33 0.00 0.00 58.87 57.68 1a0q n SER 160 Cb 0.54 1.25 0.47 0.00 -0.75 0.00 0.00 64.21 65.72 1a0q n SER 160 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1a0q h SER 161 N 0.00 0.00 -0.48 -3.46 4.64 -1.97 -1.96 113.55 110.33 1a0q h SER 161 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a0q h SER 161 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1a0q h SER 161 CO 0.00 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1a0q n GLY 162 N -0.22 1.25 3.86 -0.77 0.00 -1.26 -4.92 105.19 103.12 1a0q n GLY 162 Ca -0.01 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1a0q n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a0q s VAL 163 N -1.37 5.21 -0.22 1.61 1.01 -0.74 -1.16 120.40 124.75 1a0q s VAL 163 Ca 0.32 0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 1a0q s VAL 163 Cb 0.17 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 33.03 1a0q s VAL 163 CO 0.22 0.54 0.11 -1.00 0.00 0.00 0.00 175.10 174.97 1a0q s HIS 164 N -1.12 0.22 -0.15 5.22 3.76 -0.07 -5.00 115.29 118.14 1a0q s HIS 164 Ca 0.22 -0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 54.54 1a0q s HIS 164 Cb -0.15 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 1a0q s HIS 164 CO 0.11 -0.64 0.12 0.99 -0.85 0.00 0.00 174.74 174.47 1a0q s THR 165 N 2.13 5.31 -0.17 1.30 2.01 -1.26 -1.11 115.64 123.85 1a0q s THR 165 Ca 0.05 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 1a0q s THR 165 Cb -0.16 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1a0q s THR 165 CO -0.20 0.54 0.21 -0.36 -0.69 0.00 0.00 174.62 174.12 1a0q s PHE 166 N -0.39 3.45 -0.17 4.92 0.08 0.22 -5.01 117.98 121.08 1a0q s PHE 166 Ca 0.11 0.48 -0.40 0.00 0.12 0.00 0.00 56.93 57.24 1a0q s PHE 166 Cb -0.12 -2.23 -0.17 0.00 -0.57 0.00 0.00 43.02 39.94 1a0q s PHE 166 CO 0.01 0.30 1.56 -2.30 -0.10 0.00 0.00 175.22 174.70 1a0q n PRO 167 N 3.40 0.95 -1.74 0.24 -0.02 -1.26 -4.12 135.00 132.46 1a0q n PRO 167 Ca -0.14 0.35 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1a0q n PRO 167 Cb 0.52 -1.99 0.04 0.00 -0.02 0.00 0.00 33.50 32.06 1a0q n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a0q n ALA 168 N 4.11 1.53 -3.48 3.55 0.00 -1.26 -4.83 120.51 120.13 1a0q n ALA 168 Ca 0.24 0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.52 1a0q n ALA 168 Cb 0.12 -2.35 -0.17 0.00 0.00 0.00 0.00 19.45 17.06 1a0q n ALA 168 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a0q s VAL 169 N -1.30 1.51 -0.32 0.00 1.01 -0.72 -4.93 120.40 115.65 1a0q s VAL 169 Ca 0.72 -0.68 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 1a0q s VAL 169 Cb -0.42 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1a0q s VAL 169 CO 0.49 0.44 0.86 -0.22 0.00 0.00 0.00 175.10 176.67 1a0q s LEU 170 N 0.72 4.05 -0.05 3.92 2.96 -1.26 -2.10 118.68 126.92 1a0q s LEU 170 Ca -0.12 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.51 1a0q s LEU 170 Cb -0.16 -3.19 0.02 0.00 0.50 0.00 0.00 46.19 43.37 1a0q s LEU 170 CO 0.03 -0.70 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.22 1a0q s GLN 171 N 3.15 0.85 -1.24 1.98 -0.21 -0.15 -4.88 119.66 119.16 1a0q s GLN 171 Ca 0.35 -0.09 -0.19 0.00 0.02 0.00 0.00 55.36 55.45 1a0q s GLN 171 Cb -0.13 -0.89 0.01 0.00 1.00 0.00 0.00 33.01 32.99 1a0q s GLN 171 CO 0.14 -0.11 0.63 0.43 -2.12 0.00 0.00 175.29 174.26 1a0q n SER 172 N 4.19 -3.52 -0.50 5.90 7.64 -1.26 -2.59 113.62 123.48 1a0q n SER 172 Ca -0.22 -1.10 -0.06 0.00 1.01 0.00 0.00 58.87 58.49 1a0q n SER 172 Cb 0.51 -2.77 -0.03 0.00 -1.01 0.00 0.00 64.21 60.91 1a0q n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1a0q n ASP 173 N -2.62 -5.36 -4.15 6.43 8.00 -1.26 -4.98 116.55 112.61 1a0q n ASP 173 Ca -0.16 0.16 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1a0q n ASP 173 Cb 0.61 -3.43 -0.11 0.00 -0.02 0.00 0.00 41.12 38.17 1a0q n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a0q s LEU 174 N -1.48 2.37 0.02 0.64 1.43 -1.07 -4.89 118.68 115.71 1a0q s LEU 174 Ca 0.00 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1a0q s LEU 174 Cb 0.00 -0.25 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 1a0q s LEU 174 CO 0.00 -0.27 0.10 -0.31 0.23 0.00 0.00 176.35 176.11 1a0q s TYR 175 N -2.27 3.32 -0.05 0.29 2.02 -0.03 -0.98 117.35 119.64 1a0q s TYR 175 Ca 0.02 0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.90 1a0q s TYR 175 Cb -0.04 -1.73 0.04 0.00 -0.40 0.00 0.00 41.96 39.83 1a0q s TYR 175 CO -0.00 0.56 0.10 0.99 -1.57 0.00 0.00 175.55 175.63 1a0q s THR 176 N -1.28 -0.08 0.14 -0.71 2.01 -0.89 -0.98 115.64 113.85 1a0q s THR 176 Ca 0.26 0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.53 1a0q s THR 176 Cb -0.12 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1a0q s THR 176 CO 0.17 0.09 -0.11 -1.48 -0.69 0.00 0.00 174.62 172.61 1a0q s LEU 177 N 1.33 2.50 0.23 4.42 0.05 -0.46 -1.75 118.68 125.01 1a0q s LEU 177 Ca -0.07 -0.96 0.05 0.00 0.05 0.00 0.00 54.13 53.20 1a0q s LEU 177 Cb -0.12 -0.37 -0.05 0.00 -2.05 0.00 0.00 46.19 43.60 1a0q s LEU 177 CO -0.05 -0.30 -0.05 -0.94 -0.55 0.00 0.00 176.35 174.47 1a0q s SER 178 N -3.00 2.17 -0.03 1.48 1.04 -1.26 -0.56 113.70 113.54 1a0q s SER 178 Ca 0.14 -1.16 -0.01 0.00 0.48 0.00 0.00 55.95 55.40 1a0q s SER 178 Cb 0.01 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.09 1a0q s SER 178 CO 0.01 -0.40 0.06 -0.55 0.98 0.00 0.00 173.24 173.34 1a0q s SER 179 N -3.33 -0.01 -0.02 7.02 0.15 -0.42 -0.61 113.70 116.49 1a0q s SER 179 Ca 0.26 0.12 0.05 0.00 0.70 0.00 0.00 55.95 57.08 1a0q s SER 179 Cb 0.04 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1a0q s SER 179 CO 0.08 -0.10 -0.16 -0.94 1.20 0.00 0.00 173.24 173.32 1a0q s SER 180 N 0.78 3.88 0.00 5.45 1.04 -0.27 -1.15 113.70 123.42 1a0q s SER 180 Ca -0.06 -0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.16 1a0q s SER 180 Cb -0.09 -0.74 -0.02 0.00 0.10 0.00 0.00 66.02 65.28 1a0q s SER 180 CO -0.03 0.32 -0.24 0.54 0.98 0.00 0.00 173.24 174.81 1a0q s VAL 181 N -0.78 1.91 -0.30 5.02 0.11 -0.88 -0.89 120.40 124.59 1a0q s VAL 181 Ca 0.12 -1.12 0.02 0.00 -2.93 0.00 0.00 61.98 58.08 1a0q s VAL 181 Cb -0.11 -1.60 0.07 0.00 -1.53 0.00 0.00 36.38 33.22 1a0q s VAL 181 CO 0.02 0.46 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.34 1a0q s THR 182 N -0.64 2.45 0.32 5.04 2.01 -0.31 -1.05 115.64 123.47 1a0q s THR 182 Ca 0.10 -1.82 0.08 0.00 0.31 0.00 0.00 61.69 60.35 1a0q s THR 182 Cb -0.09 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1a0q s THR 182 CO 0.00 -0.26 0.23 0.68 -0.69 0.00 0.00 174.62 174.59 1a0q s VAL 183 N 1.08 3.54 0.48 3.82 -7.23 -0.19 -4.58 120.40 117.32 1a0q s VAL 183 Ca -0.01 -1.47 -0.23 0.00 -1.81 0.00 0.00 61.98 58.46 1a0q s VAL 183 Cb -0.20 -3.15 -0.07 0.00 0.56 0.00 0.00 36.38 33.52 1a0q s VAL 183 CO -0.05 -0.21 1.28 -2.16 -0.31 0.00 0.00 175.10 173.66 1a0q s PRO 184 N -3.93 3.54 0.55 4.82 0.04 -1.26 -0.57 135.00 138.19 1a0q s PRO 184 Ca 0.39 2.07 0.23 0.00 0.04 0.00 0.00 61.00 63.73 1a0q s PRO 184 Cb -0.05 -2.42 1.49 0.00 0.04 0.00 0.00 34.50 33.55 1a0q s PRO 184 CO 0.25 -0.82 2.14 0.77 0.04 0.00 0.00 177.00 179.38 1a0q h SER 185 N 1.93 0.00 -0.05 6.66 0.02 -1.61 -1.18 113.55 119.32 1a0q h SER 185 Ca -0.50 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1a0q h SER 185 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 1a0q h SER 185 CO 0.59 0.00 0.22 -1.28 -1.14 0.00 0.00 176.83 175.22 1a0q h SER 186 N 0.00 0.00 0.00 3.07 0.87 -1.91 -3.13 113.55 112.45 1a0q h SER 186 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1a0q h SER 186 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1a0q h SER 186 CO -0.00 0.00 -0.87 0.35 -0.53 0.00 0.00 176.83 175.78 1a0q n THR 187 N -3.13 0.00 -4.25 2.23 -2.24 -0.45 -4.78 114.28 101.66 1a0q n THR 187 Ca -0.01 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 1a0q n THR 187 Cb 0.29 0.67 -0.16 0.00 -2.10 0.00 0.00 70.33 69.03 1a0q n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1a0q s TRP 188 N -2.18 0.78 -2.07 4.78 -0.00 -1.18 -0.79 118.94 118.27 1a0q s TRP 188 Ca 0.00 -0.20 0.14 0.00 -0.00 0.00 0.00 56.10 56.04 1a0q s TRP 188 Cb 0.06 -0.61 0.66 0.00 -0.00 0.00 0.00 33.47 33.58 1a0q s TRP 188 CO 0.36 -0.13 1.45 -0.35 -0.00 0.00 0.00 176.95 178.27 1a0q n PRO 189 N 3.61 1.28 -0.33 5.86 -0.04 -1.26 -4.75 135.00 139.37 1a0q n PRO 189 Ca -0.21 -0.43 0.01 0.00 -0.04 0.00 0.00 63.50 62.82 1a0q n PRO 189 Cb 0.53 -1.25 0.14 0.00 -0.04 0.00 0.00 33.50 32.89 1a0q n PRO 189 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1a0q h SER 190 N 0.80 0.93 -2.84 3.54 4.64 -1.87 -3.41 113.55 115.34 1a0q h SER 190 Ca 0.00 0.01 -0.60 0.00 -0.47 0.00 0.00 61.79 60.73 1a0q h SER 190 Cb 0.18 -0.19 -0.10 0.00 -0.31 0.00 0.00 62.40 61.98 1a0q h SER 190 CO 0.00 0.61 -0.63 -1.61 -0.87 0.00 0.00 176.83 174.32 1a0q s GLU 191 N -6.07 2.54 0.20 4.77 2.02 0.03 -5.11 118.70 117.08 1a0q s GLU 191 Ca -0.13 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 1a0q s GLU 191 Cb 0.18 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.90 1a0q s GLU 191 CO 0.80 0.47 0.98 0.99 0.02 0.00 0.00 175.26 178.51 1a0q s THR 192 N -1.72 4.12 -0.11 3.63 2.01 -1.26 -4.42 115.64 117.89 1a0q s THR 192 Ca 0.28 1.98 0.02 0.00 0.31 0.00 0.00 61.69 64.28 1a0q s THR 192 Cb -0.10 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.17 1a0q s THR 192 CO 0.20 0.41 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.69 1a0q s VAL 193 N -0.74 1.52 -0.05 3.82 1.01 -1.26 -5.00 120.40 119.71 1a0q s VAL 193 Ca 0.44 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1a0q s VAL 193 Cb -0.26 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1a0q s VAL 193 CO 0.33 0.45 -0.09 -0.89 0.00 0.00 0.00 175.10 174.89 1a0q s THR 194 N 0.99 0.83 0.00 3.92 2.01 -1.26 -1.29 115.64 120.84 1a0q s THR 194 Ca -0.06 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 1a0q s THR 194 Cb -0.15 -0.78 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 1a0q s THR 194 CO -0.02 0.28 0.25 0.00 -0.69 0.00 0.00 174.62 174.44 1a0q s ASN 196 N -1.71 3.19 -0.12 0.00 -0.87 0.37 -1.69 114.94 114.11 1a0q s ASN 196 Ca 0.27 -0.62 0.02 0.00 -1.57 0.00 0.00 52.86 50.96 1a0q s ASN 196 Cb -0.13 -1.48 0.01 0.00 -0.02 0.00 0.00 41.25 39.63 1a0q s ASN 196 CO 0.16 0.03 -0.19 -0.69 -2.57 0.00 0.00 177.10 173.84 1a0q s VAL 197 N 1.12 1.80 -0.07 1.60 1.01 0.14 -0.63 120.40 125.36 1a0q s VAL 197 Ca 0.01 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1a0q s VAL 197 Cb -0.14 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 1a0q s VAL 197 CO -0.08 0.50 -0.17 0.00 0.00 0.00 0.00 175.10 175.34 1a0q s ALA 198 N 0.87 2.50 -0.40 5.51 0.00 -0.15 -0.87 121.76 129.22 1a0q s ALA 198 Ca -0.07 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1a0q s ALA 198 Cb -0.15 -0.95 0.12 0.00 0.00 0.00 0.00 23.12 22.13 1a0q s ALA 198 CO -0.01 0.43 0.16 -1.58 0.00 0.00 0.00 175.76 174.76 1a0q s HIS 199 N -0.25 2.61 0.27 0.00 2.46 -0.50 -1.20 115.29 118.68 1a0q s HIS 199 Ca 0.01 -2.57 -0.01 0.00 0.47 0.00 0.00 55.06 52.96 1a0q s HIS 199 Cb -0.13 -2.30 0.47 0.00 -0.13 0.00 0.00 32.58 30.49 1a0q s HIS 199 CO 0.03 -0.84 1.86 -1.00 -2.47 0.00 0.00 174.74 172.32 1a0q h PRO 200 N 7.22 1.07 0.00 2.88 0.13 -1.81 -1.84 132.00 139.65 1a0q h PRO 200 Ca -0.06 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1a0q h PRO 200 Cb 0.96 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1a0q h PRO 200 CO 0.53 0.71 0.00 0.00 -0.23 0.00 0.00 178.00 179.01 1a0q h ALA 201 N 1.49 1.00 -0.07 -0.56 0.00 -1.85 -1.68 119.26 117.59 1a0q h ALA 201 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1a0q h ALA 201 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a0q h ALA 201 CO -0.21 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.91 1a0q n SER 202 N -2.44 1.90 -3.96 0.00 3.41 -0.94 -4.98 113.62 106.62 1a0q n SER 202 Ca 0.01 -1.66 -0.31 0.00 -0.26 0.00 0.00 58.87 56.65 1a0q n SER 202 Cb 0.18 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1a0q n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a0q n SER 203 N -0.02 -4.10 -4.58 4.04 7.64 -0.63 -4.98 113.62 110.99 1a0q n SER 203 Ca 0.03 -0.83 -0.33 0.00 1.01 0.00 0.00 58.87 58.75 1a0q n SER 203 Cb 0.22 -3.66 -0.11 0.00 -1.01 0.00 0.00 64.21 59.65 1a0q n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a0q s THR 204 N -3.35 3.58 -0.18 0.44 -4.23 -1.09 -5.02 115.64 105.78 1a0q s THR 204 Ca 0.61 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 60.39 1a0q s THR 204 Cb -0.31 -2.51 0.06 0.00 1.34 0.00 0.00 72.50 71.07 1a0q s THR 204 CO 0.85 0.47 0.02 -0.54 -0.54 0.00 0.00 174.62 174.88 1a0q s LYS 205 N -1.18 0.76 -0.08 3.99 1.02 -1.26 -1.41 119.74 121.58 1a0q s LYS 205 Ca 0.15 -0.42 0.04 0.00 0.02 0.00 0.00 55.97 55.77 1a0q s LYS 205 Cb -0.11 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1a0q s LYS 205 CO 0.05 -0.60 -0.23 0.08 -0.92 0.00 0.00 175.35 173.73 1a0q s VAL 206 N 1.82 1.97 -0.06 3.17 1.01 -0.05 -4.97 120.40 123.29 1a0q s VAL 206 Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1a0q s VAL 206 Cb -0.17 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1a0q s VAL 206 CO -0.08 0.54 -0.12 -1.81 0.00 0.00 0.00 175.10 173.64 1a0q s ASP 207 N 0.21 4.24 -0.10 3.32 1.01 -1.26 -0.68 116.67 123.41 1a0q s ASP 207 Ca -0.14 -0.14 -0.02 0.00 0.71 0.00 0.00 52.55 52.97 1a0q s ASP 207 Cb -0.16 -0.97 0.04 0.00 1.01 0.00 0.00 42.92 42.83 1a0q s ASP 207 CO 0.07 0.35 0.02 -0.54 0.21 0.00 0.00 175.17 175.27 1a0q s LYS 208 N -0.74 0.55 0.06 8.23 -0.14 -0.68 -4.97 119.74 122.04 1a0q s LYS 208 Ca 0.11 0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.44 1a0q s LYS 208 Cb -0.11 -1.19 -0.05 0.00 -1.68 0.00 0.00 37.83 34.80 1a0q s LYS 208 CO 0.01 -0.38 1.06 0.21 -0.76 0.00 0.00 175.35 175.48 1a0q s LYS 209 N 1.97 4.55 -0.43 1.68 2.20 -1.26 -2.03 119.74 126.42 1a0q s LYS 209 Ca 0.04 1.57 -0.22 0.00 -0.36 0.00 0.00 55.97 56.99 1a0q s LYS 209 Cb -0.13 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1a0q s LYS 209 CO -0.06 -0.05 0.74 0.42 -0.36 0.00 0.00 175.35 176.04 1a0q s ILE 210 N 0.67 4.72 -1.96 5.43 -1.09 -0.41 -4.91 121.20 123.65 1a0q s ILE 210 Ca 0.53 0.41 0.16 0.00 -2.23 0.00 0.00 60.65 59.52 1a0q s ILE 210 Cb -0.25 -4.26 0.12 0.00 -1.58 0.00 0.00 42.46 36.49 1a0q s ILE 210 CO 0.30 -0.62 1.00 -0.62 -1.23 0.00 0.00 174.94 173.76