#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3exs n PRO 6 N 0.00 2.54 -1.78 3.23 -0.02 -1.26 -4.95 135.00 132.76 3exs n PRO 6 Ca 0.00 0.92 -0.39 0.00 -2.02 0.00 0.00 63.50 62.01 3exs n PRO 6 Cb 0.00 -2.74 0.03 0.00 -0.02 0.00 0.00 33.50 30.77 3exs n PRO 6 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3exs s ASN 7 N 1.26 5.56 -0.23 2.55 0.02 0.12 -4.80 114.94 119.42 3exs s ASN 7 Ca 0.77 2.85 -0.15 0.00 -1.02 0.00 0.00 52.86 55.31 3exs s ASN 7 Cb -0.57 -2.65 -0.04 0.00 0.02 0.00 0.00 41.25 38.02 3exs s ASN 7 CO 0.35 -1.38 0.39 -0.22 0.02 0.00 0.00 177.10 176.25 3exs s LEU 8 N -3.13 4.11 -0.05 0.60 2.96 -1.26 -0.08 118.68 121.82 3exs s LEU 8 Ca 0.66 0.42 0.06 0.00 -0.22 0.00 0.00 54.13 55.05 3exs s LEU 8 Cb -0.42 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 43.78 3exs s LEU 8 CO 0.52 -0.12 -0.24 -1.58 -1.32 0.00 0.00 176.35 173.62 3exs s GLN 9 N 1.61 2.51 -0.16 1.98 0.74 0.94 -0.24 119.66 127.05 3exs s GLN 9 Ca 0.17 -0.88 -0.04 0.00 0.05 0.00 0.00 55.36 54.66 3exs s GLN 9 Cb -0.15 -2.18 -0.03 0.00 1.10 0.00 0.00 33.01 31.75 3exs s GLN 9 CO 0.08 0.42 -0.01 0.54 -0.55 0.00 0.00 175.29 175.77 3exs s VAL 10 N -0.26 4.11 -0.25 1.34 0.11 -0.79 -0.09 120.40 124.57 3exs s VAL 10 Ca -0.00 -0.28 -0.10 0.00 -2.93 0.00 0.00 61.98 58.66 3exs s VAL 10 Cb -0.13 -2.81 -0.05 0.00 -1.53 0.00 0.00 36.38 31.87 3exs s VAL 10 CO 0.03 0.49 0.16 0.00 -3.33 0.00 0.00 175.10 172.45 3exs s ALA 11 N 0.27 3.56 -0.60 1.54 0.00 -0.58 -0.71 121.76 125.24 3exs s ALA 11 Ca -0.02 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 3exs s ALA 11 Cb -0.14 -2.34 0.12 0.00 0.00 0.00 0.00 23.12 20.77 3exs s ALA 11 CO 0.02 -0.29 0.64 -0.51 0.00 0.00 0.00 175.76 175.62 3exs s LEU 12 N 1.25 5.82 -0.41 0.00 1.43 0.15 -4.63 118.68 122.29 3exs s LEU 12 Ca 0.07 -1.69 0.05 0.00 -1.03 0.00 0.00 54.13 51.53 3exs s LEU 12 Cb -0.14 -2.26 0.60 0.00 0.03 0.00 0.00 46.19 44.42 3exs s LEU 12 CO 0.06 -0.97 1.77 0.47 0.23 0.00 0.00 176.35 177.91 3exs n ASP 13 N 5.72 3.56 -4.78 2.29 8.00 -1.26 -0.46 116.55 129.62 3exs n ASP 13 Ca -0.09 -3.69 -0.35 0.00 0.71 0.00 0.00 54.79 51.38 3exs n ASP 13 Cb 0.42 -0.77 -0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3exs n ASP 13 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3exs s HIS 14 N -3.32 2.71 -2.16 1.24 3.76 -1.26 -4.49 115.29 111.76 3exs s HIS 14 Ca 0.53 1.55 0.21 0.00 -0.15 0.00 0.00 55.06 57.20 3exs s HIS 14 Cb 0.46 -3.27 0.95 0.00 1.11 0.00 0.00 32.58 31.83 3exs s HIS 14 CO 0.06 -1.49 1.65 0.43 -0.85 0.00 0.00 174.74 174.54 3exs n SER 15 N -1.26 0.91 -4.03 1.40 7.64 -1.26 -3.30 113.62 113.71 3exs n SER 15 Ca 0.11 -1.55 -0.10 0.00 1.01 0.00 0.00 58.87 58.34 3exs n SER 15 Cb 0.51 -0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.58 3exs n SER 15 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3exs s ASN 16 N -1.61 0.13 0.12 6.43 2.20 -1.26 -4.86 114.94 116.08 3exs s ASN 16 Ca 0.31 -1.00 -0.19 0.00 -0.94 0.00 0.00 52.86 51.04 3exs s ASN 16 Cb 0.16 0.39 -0.05 0.00 -2.00 0.00 0.00 41.25 39.75 3exs s ASN 16 CO 0.25 -0.85 1.70 0.25 -2.94 0.00 0.00 177.10 175.52 3exs h LEU 17 N 2.64 0.33 -1.05 3.54 5.85 -1.93 -3.06 115.31 121.63 3exs h LEU 17 Ca -0.33 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 3exs h LEU 17 Cb 1.22 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3exs h LEU 17 CO 0.51 0.34 0.26 0.07 -0.34 0.00 0.00 178.44 179.29 3exs h LYS 18 N 0.30 0.94 -0.01 1.25 2.10 -1.99 -1.55 116.57 117.61 3exs h LYS 18 Ca 0.09 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3exs h LYS 18 Cb 0.09 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.25 3exs h LYS 18 CO -0.01 0.76 0.01 0.78 -2.00 0.00 0.00 179.45 178.99 3exs h GLY 19 N 1.02 0.02 0.97 0.07 0.00 -1.97 -0.37 103.07 102.80 3exs h GLY 19 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3exs h GLY 19 CO -0.02 0.01 0.22 0.00 0.00 0.00 0.00 176.54 176.75 3exs h ALA 20 N 0.93 0.56 -0.41 3.60 0.00 -1.37 -2.22 119.26 120.36 3exs h ALA 20 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3exs h ALA 20 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3exs h ALA 20 CO -0.00 0.11 -0.20 0.82 0.00 0.00 0.00 179.25 179.98 3exs h ILE 21 N 0.56 1.27 -0.29 0.00 2.04 -1.16 -1.57 117.51 118.37 3exs h ILE 21 Ca 0.15 -1.31 -0.07 0.00 1.00 0.00 0.00 64.86 64.63 3exs h ILE 21 Cb 0.10 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3exs h ILE 21 CO -0.02 0.44 -0.10 0.74 0.00 0.00 0.00 178.15 179.21 3exs h THR 22 N 0.70 1.29 -0.19 -0.27 2.02 -0.96 -1.40 112.91 114.09 3exs h THR 22 Ca 0.10 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 3exs h THR 22 Cb 0.71 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3exs h THR 22 CO 0.05 0.37 -0.04 0.00 0.37 0.00 0.00 175.52 176.27 3exs h ALA 23 N 0.77 0.26 -0.85 6.16 0.00 -1.40 -1.93 119.26 122.27 3exs h ALA 23 Ca 0.07 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3exs h ALA 23 Cb 0.59 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3exs h ALA 23 CO 0.03 0.03 0.50 0.00 0.00 0.00 0.00 179.25 179.82 3exs h ALA 24 N 0.74 1.22 -0.08 0.00 0.00 -1.25 -1.31 119.26 118.58 3exs h ALA 24 Ca 0.05 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3exs h ALA 24 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3exs h ALA 24 CO 0.02 0.15 -0.61 0.28 0.00 0.00 0.00 179.25 179.09 3exs h VAL 25 N 0.85 1.38 0.00 0.00 2.07 -1.16 0.27 116.25 119.66 3exs h VAL 25 Ca 0.40 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3exs h VAL 25 Cb 0.34 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3exs h VAL 25 CO -0.23 0.59 -0.04 0.77 0.02 0.00 0.00 177.57 178.68 3exs h SER 26 N 0.20 0.00 -0.00 0.57 4.64 -0.47 -3.32 113.55 115.16 3exs h SER 26 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3exs h SER 26 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3exs h SER 26 CO 0.10 0.00 -0.06 1.33 -0.87 0.00 0.00 176.83 177.33 3exs n VAL 27 N -2.72 0.00 -0.33 0.95 0.24 -0.59 -3.66 118.33 112.21 3exs n VAL 27 Ca 0.05 -0.47 -0.01 0.00 -2.04 0.00 0.00 64.34 61.87 3exs n VAL 27 Cb 0.49 1.00 0.05 0.00 -1.47 0.00 0.00 33.84 33.91 3exs n VAL 27 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3exs h GLY 28 N 0.32 0.17 2.00 7.63 0.00 -0.57 0.87 103.07 113.49 3exs h GLY 28 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3exs h GLY 28 CO 0.00 -0.24 0.00 3.43 0.00 0.00 0.00 176.54 179.73 3exs h ASN 29 N -0.03 0.00 0.55 0.19 2.35 -1.85 -2.91 115.58 113.88 3exs h ASN 29 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3exs h ASN 29 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3exs h ASN 29 CO -0.92 0.00 -0.20 -0.62 -1.65 0.00 0.00 177.43 174.04 3exs n GLU 30 N -2.55 0.33 -4.44 0.81 -0.58 0.29 -4.94 120.64 109.56 3exs n GLU 30 Ca 0.03 -0.13 -0.22 0.00 -0.42 0.00 0.00 57.16 56.43 3exs n GLU 30 Cb 0.34 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.61 3exs n GLU 30 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3exs s VAL 31 N -2.75 1.84 -0.13 2.62 -7.23 -1.10 -4.68 120.40 108.98 3exs s VAL 31 Ca 0.20 -2.18 0.08 0.00 -1.81 0.00 0.00 61.98 58.27 3exs s VAL 31 Cb 0.19 -2.40 -0.23 0.00 0.56 0.00 0.00 36.38 34.49 3exs s VAL 31 CO 0.55 -0.34 0.34 0.47 -0.31 0.00 0.00 175.10 175.81 3exs n ASP 32 N -0.59 1.10 -3.99 4.85 8.00 0.67 -4.95 116.55 121.63 3exs n ASP 32 Ca -0.06 0.20 -0.19 0.00 0.71 0.00 0.00 54.79 55.45 3exs n ASP 32 Cb 0.63 -0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.54 3exs n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3exs s VAL 33 N -2.55 0.68 -0.15 2.53 1.01 -0.65 -3.48 120.40 117.78 3exs s VAL 33 Ca -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3exs s VAL 33 Cb 0.07 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 3exs s VAL 33 CO 0.78 0.21 -0.15 -0.63 0.00 0.00 0.00 175.10 175.31 3exs s ILE 34 N 0.12 2.66 -0.24 2.22 1.01 -0.01 -1.88 121.20 125.08 3exs s ILE 34 Ca -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 3exs s ILE 34 Cb -0.07 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.30 3exs s ILE 34 CO 0.00 0.52 -0.06 -0.70 0.00 0.00 0.00 174.94 174.70 3exs s GLU 35 N 0.80 2.96 -0.48 2.79 2.12 0.11 -0.43 118.70 126.56 3exs s GLU 35 Ca -0.06 -0.89 -0.28 0.00 0.36 0.00 0.00 54.97 54.10 3exs s GLU 35 Cb -0.15 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.25 3exs s GLU 35 CO 0.00 -0.35 1.45 0.00 -0.54 0.00 0.00 175.26 175.82 3exs s ALA 36 N 1.36 2.90 0.73 6.30 0.00 0.19 0.31 121.76 133.55 3exs s ALA 36 Ca 0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.49 3exs s ALA 36 Cb -0.16 -4.03 0.03 0.00 0.00 0.00 0.00 23.12 18.96 3exs s ALA 36 CO -0.04 -2.70 1.07 0.20 0.00 0.00 0.00 175.76 174.29 3exs s GLY 37 N 4.42 1.66 0.03 0.00 0.00 0.39 -1.29 107.32 112.54 3exs s GLY 37 Ca 0.59 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 45.16 3exs s GLY 37 CO 0.29 0.43 1.47 -0.84 0.00 0.00 0.00 173.10 174.46 3exs h THR 38 N -0.88 1.07 -0.96 0.90 2.02 -1.81 -0.78 112.91 112.47 3exs h THR 38 Ca -0.44 -0.54 0.27 0.00 0.77 0.00 0.00 66.41 66.47 3exs h THR 38 Cb 1.22 1.42 -0.14 0.00 -1.74 0.00 0.00 68.15 68.92 3exs h THR 38 CO 0.56 0.13 0.48 0.58 0.37 0.00 0.00 175.52 177.64 3exs h VAL 39 N -0.35 0.39 -0.06 3.16 2.07 -1.88 -0.31 116.25 119.27 3exs h VAL 39 Ca -0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3exs h VAL 39 Cb 0.30 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3exs h VAL 39 CO 0.02 0.07 -0.09 0.00 0.02 0.00 0.00 177.57 177.58 3exs h LEU 41 N -0.29 1.13 -2.02 0.00 3.38 -0.30 0.36 115.31 117.57 3exs h LEU 41 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3exs h LEU 41 Cb 0.64 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3exs h LEU 41 CO 0.02 0.80 -0.07 -0.07 0.09 0.00 0.00 178.44 179.22 3exs h LEU 42 N 1.33 0.00 0.00 1.67 3.38 -1.16 0.27 115.31 120.80 3exs h LEU 42 Ca 0.38 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.18 3exs h LEU 42 Cb -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3exs h LEU 42 CO -0.10 0.07 -0.96 1.56 0.09 0.00 0.00 178.44 179.10 3exs h GLN 43 N 0.00 0.00 0.00 1.13 1.08 -1.09 -3.42 115.11 112.80 3exs h GLN 43 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3exs h GLN 43 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3exs h GLN 43 CO 0.01 0.97 -0.77 1.33 -0.95 0.00 0.00 178.83 179.42 3exs n VAL 44 N -4.48 0.00 -3.70 -0.54 0.24 -0.01 -5.05 118.33 104.80 3exs n VAL 44 Ca -0.27 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 3exs n VAL 44 Cb 0.62 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 3exs n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3exs n GLY 45 N 1.37 -2.08 0.06 7.63 0.00 0.94 -4.51 105.19 108.60 3exs n GLY 45 Ca 0.02 -1.48 0.14 0.00 0.00 0.00 0.00 46.02 44.70 3exs n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3exs n SER 46 N 0.92 0.35 0.25 1.61 3.41 -1.26 -3.71 113.62 115.20 3exs n SER 46 Ca 0.00 -0.20 0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3exs n SER 46 Cb 0.00 -0.11 0.67 0.00 -0.26 0.00 0.00 64.21 64.51 3exs n SER 46 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3exs h GLU 47 N 0.28 0.00 -0.94 4.33 4.81 -1.98 -1.55 114.58 119.52 3exs h GLU 47 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.37 3exs h GLU 47 Cb 0.43 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.73 3exs h GLU 47 CO 0.00 0.11 0.60 1.25 -0.73 0.00 0.00 179.01 180.24 3exs h LEU 48 N 0.00 0.75 -0.51 1.64 5.85 -1.86 0.68 115.31 121.87 3exs h LEU 48 Ca -0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3exs h LEU 48 Cb 0.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3exs h LEU 48 CO 0.01 0.37 0.15 0.58 -0.34 0.00 0.00 178.44 179.21 3exs h VAL 49 N 0.79 1.23 -0.23 1.05 2.07 -1.55 -1.67 116.25 117.94 3exs h VAL 49 Ca 0.48 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 3exs h VAL 49 Cb 0.68 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3exs h VAL 49 CO -0.25 0.29 -0.25 -0.08 0.02 0.00 0.00 177.57 177.30 3exs h GLU 50 N 0.69 0.45 0.16 1.57 4.81 -0.81 -1.22 114.58 120.23 3exs h GLU 50 Ca 0.16 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3exs h GLU 50 Cb 0.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3exs h GLU 50 CO -0.00 0.67 -0.08 0.28 -0.73 0.00 0.00 179.01 179.15 3exs h VAL 51 N 0.40 0.93 -0.88 0.32 2.07 -0.93 -1.86 116.25 116.29 3exs h VAL 51 Ca 0.06 -0.38 0.13 0.00 0.82 0.00 0.00 66.70 67.34 3exs h VAL 51 Cb 0.66 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3exs h VAL 51 CO 0.05 0.09 0.57 -0.07 0.02 0.00 0.00 177.57 178.23 3exs h LEU 52 N -0.39 0.67 -0.57 2.57 3.38 -1.13 -1.61 115.31 118.22 3exs h LEU 52 Ca -0.02 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3exs h LEU 52 Cb 0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3exs h LEU 52 CO 0.04 0.35 -0.07 -0.09 0.09 0.00 0.00 178.44 178.75 3exs h ARG 53 N 0.71 1.06 -0.22 1.13 9.65 -0.95 -1.40 114.38 124.37 3exs h ARG 53 Ca 0.44 -0.37 -0.10 0.00 -1.10 0.00 0.00 59.98 58.85 3exs h ARG 53 Cb 0.66 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 3exs h ARG 53 CO -0.20 1.07 -0.28 1.03 2.80 0.00 0.00 179.97 184.40 3exs h SER 54 N 0.95 0.43 1.35 -3.80 0.87 -0.79 -2.86 113.55 109.70 3exs h SER 54 Ca 0.15 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 3exs h SER 54 Cb 0.64 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3exs h SER 54 CO 0.04 0.70 -0.66 -0.07 -0.53 0.00 0.00 176.83 176.31 3exs h LEU 55 N 0.38 0.00 -6.14 2.23 3.38 -1.12 -3.39 115.31 110.64 3exs h LEU 55 Ca 0.05 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.45 3exs h LEU 55 Cb 0.68 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.04 3exs h LEU 55 CO 0.05 0.52 -1.03 0.49 0.09 0.00 0.00 178.44 178.57 3exs n PHE 56 N -3.17 -0.22 0.33 1.13 3.72 -0.54 -4.98 117.46 113.72 3exs n PHE 56 Ca 0.00 -3.54 0.13 0.00 -0.05 0.00 0.00 57.45 53.99 3exs n PHE 56 Cb 0.76 -0.19 0.58 0.00 -0.94 0.00 0.00 39.48 39.69 3exs n PHE 56 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3exs h PRO 57 N 4.52 0.00 0.00 -1.08 0.11 -1.72 -2.83 132.00 131.01 3exs h PRO 57 Ca 0.14 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.98 3exs h PRO 57 Cb 0.87 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 3exs h PRO 57 CO 0.46 0.00 -2.02 -0.25 -0.21 0.00 0.00 178.00 175.98 3exs n ASP 58 N -2.40 1.48 -4.64 -2.05 8.00 -1.26 -5.02 116.55 110.67 3exs n ASP 58 Ca 0.01 -0.01 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 3exs n ASP 58 Cb 0.19 0.74 0.10 0.00 -0.02 0.00 0.00 41.12 42.13 3exs n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3exs n LYS 59 N -2.60 0.45 -2.58 -1.24 4.01 -1.07 -4.96 118.16 110.18 3exs n LYS 59 Ca -0.25 0.22 -0.42 0.00 -0.51 0.00 0.00 58.31 57.35 3exs n LYS 59 Cb 0.97 -2.29 -0.03 0.00 -0.51 0.00 0.00 35.03 33.16 3exs n LYS 59 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3exs s ILE 60 N -1.88 4.46 -0.15 -0.18 1.01 -1.23 -4.98 121.20 118.26 3exs s ILE 60 Ca 0.74 1.79 0.01 0.00 0.00 0.00 0.00 60.65 63.19 3exs s ILE 60 Cb -0.33 -4.15 0.01 0.00 0.01 0.00 0.00 42.46 38.00 3exs s ILE 60 CO 0.50 0.15 -0.19 -0.63 0.00 0.00 0.00 174.94 174.77 3exs s ILE 61 N 0.94 2.34 -0.21 2.92 1.01 -1.26 -0.83 121.20 126.12 3exs s ILE 61 Ca 0.55 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 3exs s ILE 61 Cb -0.25 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3exs s ILE 61 CO 0.29 0.53 0.10 -0.69 0.00 0.00 0.00 174.94 175.17 3exs s VAL 62 N 0.85 4.94 -0.52 2.92 1.01 0.42 -0.47 120.40 129.55 3exs s VAL 62 Ca -0.05 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 3exs s VAL 62 Cb -0.15 -3.26 0.12 0.00 0.00 0.00 0.00 36.38 33.08 3exs s VAL 62 CO -0.02 0.41 0.46 0.00 0.00 0.00 0.00 175.10 175.96 3exs s ALA 63 N 0.73 3.61 -1.36 5.51 0.00 0.28 -0.64 121.76 129.89 3exs s ALA 63 Ca 0.05 -2.45 -0.14 0.00 0.00 0.00 0.00 51.96 49.42 3exs s ALA 63 Cb -0.13 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 19.89 3exs s ALA 63 CO 0.02 -1.95 1.96 -3.47 0.00 0.00 0.00 175.76 172.32 3exs n ASP 64 N 5.21 4.52 0.12 0.00 2.03 -0.41 -2.55 116.55 125.47 3exs n ASP 64 Ca -0.13 -2.93 0.12 0.00 0.52 0.00 0.00 54.79 52.36 3exs n ASP 64 Cb 0.41 -1.63 0.13 0.00 -0.72 0.00 0.00 41.12 39.30 3exs n ASP 64 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3exs h THR 65 N 4.36 0.00 -6.42 5.18 1.35 -1.86 -3.16 112.91 112.36 3exs h THR 65 Ca 0.48 -0.81 -0.49 0.00 -0.55 0.00 0.00 66.41 65.04 3exs h THR 65 Cb 0.71 1.50 -0.07 0.00 -1.73 0.00 0.00 68.15 68.56 3exs h THR 65 CO 1.67 0.00 -0.82 0.29 -0.25 0.00 0.00 175.52 176.41 3exs n LYS 66 N -2.58 -4.33 -1.66 4.72 5.02 -0.77 -4.80 118.16 113.77 3exs n LYS 66 Ca 0.02 0.50 -0.50 0.00 -2.02 0.00 0.00 58.31 56.32 3exs n LYS 66 Cb 0.50 -5.12 -0.05 0.00 -0.02 0.00 0.00 35.03 30.34 3exs n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3exs n ALA 68 N 4.11 3.55 -3.66 0.00 0.00 -1.26 -1.02 120.51 122.24 3exs n ALA 68 Ca 0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 3exs n ALA 68 Cb 0.24 -0.47 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 3exs n ALA 68 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3exs s ASP 69 N -2.37 -0.16 -1.53 0.00 -1.08 -1.26 -4.49 116.67 105.78 3exs s ASP 69 Ca 0.04 -0.21 -0.09 0.00 -0.52 0.00 0.00 52.55 51.76 3exs s ASP 69 Cb 0.10 0.33 0.07 0.00 -1.46 0.00 0.00 42.92 41.96 3exs s ASP 69 CO 0.53 -0.60 0.66 0.00 0.52 0.00 0.00 175.17 176.28 3exs n ALA 70 N -0.40 -1.62 -0.24 3.66 0.00 -1.26 -4.77 120.51 115.89 3exs n ALA 70 Ca -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.27 3exs n ALA 70 Cb 0.61 -2.72 0.10 0.00 0.00 0.00 0.00 19.45 17.44 3exs n ALA 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3exs h GLY 71 N -1.75 1.00 1.20 0.00 0.00 -1.93 0.03 103.07 101.62 3exs h GLY 71 Ca -0.61 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 46.47 3exs h GLY 71 CO 0.69 0.16 0.52 -1.33 0.00 0.00 0.00 176.54 176.59 3exs h GLY 72 N 0.70 1.11 0.54 4.60 0.00 -1.80 0.87 103.07 109.10 3exs h GLY 72 Ca 0.30 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3exs h GLY 72 CO -0.18 0.39 -0.33 -0.84 0.00 0.00 0.00 176.54 175.58 3exs h THR 73 N 1.05 1.51 -0.01 4.70 2.02 -1.44 -1.69 112.91 119.06 3exs h THR 73 Ca 0.29 -1.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 3exs h THR 73 Cb -0.09 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 3exs h THR 73 CO -0.07 0.55 0.00 0.58 0.37 0.00 0.00 175.52 176.95 3exs h VAL 74 N -0.39 1.24 -0.56 3.16 2.07 -1.01 0.39 116.25 121.15 3exs h VAL 74 Ca -0.04 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 66.89 3exs h VAL 74 Cb 1.07 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.45 3exs h VAL 74 CO 0.07 0.18 0.08 0.00 0.02 0.00 0.00 177.57 177.92 3exs h ALA 75 N 0.71 0.62 -0.42 1.67 0.00 -0.95 -2.07 119.26 118.81 3exs h ALA 75 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3exs h ALA 75 Cb 0.30 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3exs h ALA 75 CO 0.00 -0.34 0.19 -0.22 0.00 0.00 0.00 179.25 178.89 3exs h LYS 76 N 0.20 0.62 -0.05 0.00 3.64 -1.12 -0.53 116.57 119.32 3exs h LYS 76 Ca 0.29 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3exs h LYS 76 Cb 0.44 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3exs h LYS 76 CO -0.41 0.55 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.37 3exs h ASN 77 N 0.54 0.07 0.39 4.20 2.35 -0.34 -2.12 115.58 120.67 3exs h ASN 77 Ca 0.14 -0.01 -0.31 0.00 -0.55 0.00 0.00 56.30 55.58 3exs h ASN 77 Cb 0.14 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 3exs h ASN 77 CO -0.02 0.12 -1.79 0.59 -1.65 0.00 0.00 177.43 174.69 3exs n ASN 78 N -4.45 1.21 -0.25 5.81 3.02 -0.83 -3.87 115.26 115.90 3exs n ASN 78 Ca -0.02 0.36 -0.06 0.00 -0.03 0.00 0.00 54.58 54.83 3exs n ASN 78 Cb 0.15 -0.28 0.05 0.00 -0.61 0.00 0.00 39.78 39.08 3exs n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3exs h ALA 79 N 0.75 0.89 0.00 5.41 0.00 -0.69 -1.81 119.26 123.81 3exs h ALA 79 Ca -0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3exs h ALA 79 Cb 2.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3exs h ALA 79 CO 0.08 0.48 -0.05 -0.39 0.00 0.00 0.00 179.25 179.37 3exs h VAL 80 N 0.97 0.24 -0.00 0.00 -1.51 -1.55 0.78 116.25 115.18 3exs h VAL 80 Ca 0.23 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 3exs h VAL 80 Cb 0.16 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 3exs h VAL 80 CO -0.03 0.05 -0.03 0.54 -1.23 0.00 0.00 177.57 176.88 3exs n ARG 81 N -3.32 0.28 0.00 5.19 5.12 -0.72 -4.92 116.66 118.30 3exs n ARG 81 Ca -0.01 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3exs n ARG 81 Cb 0.21 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 3exs n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3exs n GLY 82 N 1.37 0.82 3.77 -0.13 0.00 0.27 -2.98 105.19 108.31 3exs n GLY 82 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3exs n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exs s ALA 83 N -2.00 3.28 -0.23 4.61 0.00 -0.98 -4.83 121.76 121.62 3exs s ALA 83 Ca 0.00 1.41 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 3exs s ALA 83 Cb 0.00 -3.56 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 3exs s ALA 83 CO 0.00 -1.07 -0.10 -0.25 0.00 0.00 0.00 175.76 174.34 3exs n ASP 84 N -0.02 1.90 -4.43 0.00 8.00 0.38 -4.66 116.55 117.72 3exs n ASP 84 Ca 0.04 0.40 -0.32 0.00 0.71 0.00 0.00 54.79 55.62 3exs n ASP 84 Cb 0.42 -0.88 -0.14 0.00 -0.02 0.00 0.00 41.12 40.50 3exs n ASP 84 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3exs s TRP 85 N -2.46 2.66 -0.04 1.24 0.51 -0.86 -1.29 118.94 118.70 3exs s TRP 85 Ca -0.32 -0.31 0.07 0.00 -2.12 0.00 0.00 56.10 53.42 3exs s TRP 85 Cb 0.09 -1.65 -0.02 0.00 -0.81 0.00 0.00 33.47 31.09 3exs s TRP 85 CO 0.50 0.07 -0.25 1.41 -0.51 0.00 0.00 176.95 178.17 3exs s MET 86 N -0.51 2.25 0.16 4.98 1.75 -0.65 -0.56 119.30 126.72 3exs s MET 86 Ca 0.07 -0.89 -0.24 0.00 -1.25 0.00 0.00 55.69 53.37 3exs s MET 86 Cb -0.12 -2.04 -0.08 0.00 2.84 0.00 0.00 34.83 35.43 3exs s MET 86 CO 0.01 0.46 0.75 0.95 -0.65 0.00 0.00 175.02 176.55 3exs s THR 87 N -0.39 4.42 -0.07 10.11 -4.23 -1.06 -1.40 115.64 123.03 3exs s THR 87 Ca 0.04 1.63 0.03 0.00 -1.18 0.00 0.00 61.69 62.20 3exs s THR 87 Cb -0.12 -4.10 -0.02 0.00 1.34 0.00 0.00 72.50 69.60 3exs s THR 87 CO 0.01 0.52 -0.14 0.00 -0.54 0.00 0.00 174.62 174.47 3exs s ILE 89 N -0.51 3.40 0.41 0.00 1.10 -0.19 -0.59 121.20 124.82 3exs s ILE 89 Ca 0.07 1.11 0.39 0.00 -0.51 0.00 0.00 60.65 61.70 3exs s ILE 89 Cb -0.12 -3.59 0.39 0.00 0.15 0.00 0.00 42.46 39.30 3exs s ILE 89 CO 0.02 0.04 2.18 0.00 -2.11 0.00 0.00 174.94 175.07 3exs n SER 91 N -2.90 0.36 -4.75 0.00 3.41 -1.26 -4.80 113.62 103.68 3exs n SER 91 Ca -0.02 -0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 57.27 3exs n SER 91 Cb 0.09 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 3exs n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3exs s ALA 92 N -2.16 3.63 0.81 7.33 0.00 0.02 -4.98 121.76 126.41 3exs s ALA 92 Ca 0.40 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.62 3exs s ALA 92 Cb 0.21 -3.57 0.09 0.00 0.00 0.00 0.00 23.12 19.85 3exs s ALA 92 CO 0.39 -0.79 1.17 0.95 0.00 0.00 0.00 175.76 177.48 3exs s THR 93 N -0.22 2.28 0.16 0.00 -4.23 -1.26 -4.80 115.64 107.57 3exs s THR 93 Ca 0.58 0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 61.02 3exs s THR 93 Cb -0.43 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.04 3exs s THR 93 CO 0.47 -0.10 1.66 0.40 -0.54 0.00 0.00 174.62 176.51 3exs h ILE 94 N -1.06 0.57 -0.80 2.99 1.08 -1.96 -1.66 117.51 116.67 3exs h ILE 94 Ca -0.45 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.15 3exs h ILE 94 Cb 1.28 0.57 -0.09 0.00 -3.07 0.00 0.00 36.82 35.50 3exs h ILE 94 CO 0.46 0.00 0.38 -0.65 -0.69 0.00 0.00 178.15 177.65 3exs h PRO 95 N -0.05 0.54 -0.56 2.37 0.11 -1.99 0.23 132.00 132.65 3exs h PRO 95 Ca 0.18 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.28 3exs h PRO 95 Cb 0.32 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 3exs h PRO 95 CO -0.40 0.36 0.34 1.15 -0.21 0.00 0.00 178.00 179.24 3exs h THR 96 N 0.56 1.06 -0.30 -1.15 2.02 -1.80 -0.69 112.91 112.61 3exs h THR 96 Ca 0.43 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 3exs h THR 96 Cb 0.61 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3exs h THR 96 CO -0.36 0.12 -0.07 0.24 0.37 0.00 0.00 175.52 175.82 3exs h MET 97 N 0.67 0.49 0.07 6.66 2.86 -0.28 -0.66 114.93 124.74 3exs h MET 97 Ca 0.22 -0.12 -0.26 0.00 -2.06 0.00 0.00 59.70 57.48 3exs h MET 97 Cb 0.02 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.63 3exs h MET 97 CO -0.10 0.58 -1.11 0.87 1.06 0.00 0.00 176.91 178.20 3exs h LYS 98 N 0.47 0.40 -0.29 1.72 1.57 -0.68 0.03 116.57 119.79 3exs h LYS 98 Ca 0.09 -0.53 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 3exs h LYS 98 Cb 0.41 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3exs h LYS 98 CO 0.02 1.20 0.10 0.00 -0.57 0.00 0.00 179.45 180.20 3exs h ALA 99 N 0.59 0.38 -0.34 3.86 0.00 -0.88 0.15 119.26 123.02 3exs h ALA 99 Ca -0.12 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.66 3exs h ALA 99 Cb 1.79 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 3exs h ALA 99 CO 0.19 0.01 0.17 0.00 0.00 0.00 0.00 179.25 179.63 3exs h ALA 100 N 0.93 0.42 -0.30 0.00 0.00 -1.09 -2.35 119.26 116.88 3exs h ALA 100 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3exs h ALA 100 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3exs h ALA 100 CO -0.00 -0.20 0.14 -0.09 0.00 0.00 0.00 179.25 179.10 3exs h ARG 101 N 0.36 0.43 -0.24 0.00 2.43 -0.74 -2.20 114.38 114.43 3exs h ARG 101 Ca 0.14 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3exs h ARG 101 Cb 0.05 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.45 3exs h ARG 101 CO -0.09 0.41 -0.26 -0.22 -1.51 0.00 0.00 179.97 178.30 3exs h LYS 102 N 0.35 -0.26 -0.56 0.20 1.63 -0.91 -1.56 116.57 115.46 3exs h LYS 102 Ca 0.10 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 3exs h LYS 102 Cb 0.13 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 3exs h LYS 102 CO -0.01 -0.17 0.26 0.00 -3.45 0.00 0.00 179.45 176.07 3exs h ALA 103 N 0.74 0.72 0.00 5.00 0.00 -1.29 0.25 119.26 124.69 3exs h ALA 103 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3exs h ALA 103 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3exs h ALA 103 CO -0.39 0.29 -0.35 0.97 0.00 0.00 0.00 179.25 179.77 3exs h ILE 104 N 0.75 1.10 -0.07 0.00 2.10 -1.26 -2.46 117.51 117.67 3exs h ILE 104 Ca 0.19 -1.27 -0.22 0.00 1.08 0.00 0.00 64.86 64.65 3exs h ILE 104 Cb 0.14 1.71 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 3exs h ILE 104 CO -0.02 0.34 -0.84 -0.33 -1.08 0.00 0.00 178.15 176.23 3exs h GLU 105 N 0.00 0.55 -0.25 2.19 5.08 -0.71 -0.33 114.58 121.11 3exs h GLU 105 Ca -0.00 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3exs h GLU 105 Cb 0.68 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3exs h GLU 105 CO 0.05 1.13 0.14 -0.44 -1.00 0.00 0.00 179.01 178.88 3exs h ASP 106 N 0.35 0.30 0.47 1.42 5.19 -0.67 -2.91 116.42 120.57 3exs h ASP 106 Ca -0.06 -0.08 -0.30 0.00 -0.62 0.00 0.00 57.03 55.97 3exs h ASP 106 Cb 1.45 -0.08 0.02 0.00 0.18 0.00 0.00 39.33 40.90 3exs h ASP 106 CO 0.15 0.29 -1.36 0.40 -3.12 0.00 0.00 179.24 175.60 3exs h ILE 107 N 0.29 1.39 -2.81 0.35 1.08 -1.51 -3.40 117.51 112.90 3exs h ILE 107 Ca 0.09 -2.90 -0.61 0.00 -0.39 0.00 0.00 64.86 61.05 3exs h ILE 107 Cb 0.05 2.98 -0.41 0.00 -3.07 0.00 0.00 36.82 36.37 3exs h ILE 107 CO -0.01 0.86 -0.69 -3.20 -0.69 0.00 0.00 178.15 174.41 3exs n ASN 108 N -3.60 2.10 0.16 1.72 2.85 -0.13 -4.92 115.26 113.44 3exs n ASN 108 Ca -0.12 -3.00 0.13 0.00 -0.11 0.00 0.00 54.58 51.47 3exs n ASN 108 Cb 1.06 -0.70 0.35 0.00 1.24 0.00 0.00 39.78 41.74 3exs n ASN 108 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3exs h PRO 109 N 5.33 0.00 -0.24 1.20 0.13 -1.72 -0.19 132.00 136.51 3exs h PRO 109 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 3exs h PRO 109 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 3exs h PRO 109 CO 0.63 0.00 0.06 0.22 -0.23 0.00 0.00 178.00 178.68 3exs h ASP 110 N 0.00 0.36 0.00 1.44 1.82 -1.91 -3.42 116.42 114.71 3exs h ASP 110 Ca 0.00 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 3exs h ASP 110 Cb 0.78 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.69 3exs h ASP 110 CO 0.00 0.49 0.00 0.29 -1.61 0.00 0.00 179.24 178.41 3exs n LYS 111 N -4.74 0.00 -1.68 0.28 5.02 -1.18 -5.10 118.16 110.77 3exs n LYS 111 Ca -0.03 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.76 3exs n LYS 111 Cb 0.17 -0.11 -0.05 0.00 -0.02 0.00 0.00 35.03 35.02 3exs n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3exs n GLY 112 N 0.00 1.30 3.27 0.72 0.00 -0.09 -4.63 105.19 105.76 3exs n GLY 112 Ca 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 46.02 46.81 3exs n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3exs s GLU 113 N 4.15 1.01 0.01 1.61 2.02 -0.41 -4.62 118.70 122.47 3exs s GLU 113 Ca 0.95 -1.10 0.03 0.00 0.02 0.00 0.00 54.97 54.87 3exs s GLU 113 Cb -0.76 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.79 3exs s GLU 113 CO 0.54 -0.35 -0.05 0.42 0.02 0.00 0.00 175.26 175.85 3exs s ILE 114 N -3.93 3.78 -0.00 -1.63 -1.09 -1.26 -1.64 121.20 115.44 3exs s ILE 114 Ca 0.12 -0.78 0.07 0.00 -2.23 0.00 0.00 60.65 57.84 3exs s ILE 114 Cb 0.04 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.23 3exs s ILE 114 CO -0.05 0.35 -0.23 -1.10 -1.23 0.00 0.00 174.94 172.69 3exs s GLN 115 N -1.57 1.77 -0.22 2.79 -0.21 -0.49 -4.20 119.66 117.53 3exs s GLN 115 Ca 0.19 -0.87 -0.16 0.00 0.02 0.00 0.00 55.36 54.53 3exs s GLN 115 Cb -0.11 -1.77 -0.04 0.00 1.00 0.00 0.00 33.01 32.09 3exs s GLN 115 CO 0.09 0.48 0.42 0.08 -2.12 0.00 0.00 175.29 174.24 3exs s VAL 116 N -0.61 5.17 -0.24 1.09 1.01 0.31 -1.49 120.40 125.63 3exs s VAL 116 Ca 0.09 0.73 -0.26 0.00 0.00 0.00 0.00 61.98 62.54 3exs s VAL 116 Cb -0.09 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3exs s VAL 116 CO -0.00 0.20 0.91 -1.61 0.00 0.00 0.00 175.10 174.60 3exs s GLU 117 N 1.63 4.20 -0.50 2.72 0.41 0.24 0.28 118.70 127.68 3exs s GLU 117 Ca 0.19 1.08 -0.19 0.00 -0.41 0.00 0.00 54.97 55.64 3exs s GLU 117 Cb -0.15 -3.65 0.06 0.00 -1.78 0.00 0.00 34.13 28.61 3exs s GLU 117 CO 0.09 -0.57 0.60 -0.51 -0.49 0.00 0.00 175.26 174.38 3exs s LEU 118 N 2.99 4.99 -0.00 1.80 1.43 -0.76 -1.51 118.68 127.62 3exs s LEU 118 Ca 0.38 -0.91 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3exs s LEU 118 Cb -0.15 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 3exs s LEU 118 CO 0.07 -0.86 -0.14 -0.31 0.23 0.00 0.00 176.35 175.35 3exs s TYR 119 N 2.55 1.22 0.00 0.29 2.02 -1.26 -4.37 117.35 117.80 3exs s TYR 119 Ca 0.15 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 3exs s TYR 119 Cb -0.19 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 3exs s TYR 119 CO 0.12 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 3exs n GLY 120 N 2.59 0.87 3.55 0.71 0.00 -1.26 -4.50 105.19 107.14 3exs n GLY 120 Ca -0.15 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3exs n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3exs s ASP 121 N -4.00 6.37 0.39 1.61 1.01 -1.26 -4.99 116.67 115.81 3exs s ASP 121 Ca 0.00 -1.10 0.08 0.00 0.71 0.00 0.00 52.55 52.24 3exs s ASP 121 Cb 0.00 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 3exs s ASP 121 CO 0.00 -1.60 0.49 -1.66 0.21 0.00 0.00 175.17 172.60 3exs s TRP 122 N 5.11 2.87 0.14 4.23 1.48 -1.26 -5.12 118.94 126.38 3exs s TRP 122 Ca 0.40 -0.37 0.05 0.00 -1.06 0.00 0.00 56.10 55.12 3exs s TRP 122 Cb -0.04 -2.20 -0.04 0.00 -1.16 0.00 0.00 33.47 30.03 3exs s TRP 122 CO -0.00 -0.22 -0.11 0.95 -4.06 0.00 0.00 176.95 173.51 3exs s THR 123 N -2.33 1.20 0.44 0.66 -4.23 -1.26 -5.04 115.64 105.08 3exs s THR 123 Ca 0.50 -1.92 0.21 0.00 -1.18 0.00 0.00 61.69 59.31 3exs s THR 123 Cb -0.08 -1.70 0.24 0.00 1.34 0.00 0.00 72.50 72.30 3exs s THR 123 CO 0.31 -0.63 2.05 1.88 -0.54 0.00 0.00 174.62 177.69 3exs h TYR 124 N 3.07 0.00 -0.48 3.99 0.05 -2.00 -0.17 116.97 121.42 3exs h TYR 124 Ca -0.37 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.30 3exs h TYR 124 Cb 1.19 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 3exs h TYR 124 CO 0.65 0.14 -0.13 -0.44 -1.05 0.00 0.00 178.16 177.33 3exs h ASP 125 N 0.00 0.94 0.11 3.88 3.45 -1.99 0.16 116.42 122.98 3exs h ASP 125 Ca -0.00 -0.37 -0.01 0.00 0.43 0.00 0.00 57.03 57.09 3exs h ASP 125 Cb 0.31 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3exs h ASP 125 CO 0.02 1.09 -0.05 1.56 -1.57 0.00 0.00 179.24 180.29 3exs h GLN 126 N 0.78 -0.14 -0.77 3.56 4.20 -1.80 -1.82 115.11 119.12 3exs h GLN 126 Ca 0.12 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.01 3exs h GLN 126 Cb 0.69 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.39 3exs h GLN 126 CO 0.05 -0.07 0.22 0.00 -0.67 0.00 0.00 178.83 178.36 3exs h ALA 127 N 0.71 1.05 -0.70 3.87 0.00 -0.81 0.22 119.26 123.59 3exs h ALA 127 Ca -0.01 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3exs h ALA 127 Cb 0.14 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3exs h ALA 127 CO 0.02 -0.33 0.43 0.37 0.00 0.00 0.00 179.25 179.74 3exs h GLN 128 N 0.30 0.94 -0.55 0.00 5.75 -0.40 -2.74 115.11 118.41 3exs h GLN 128 Ca 0.44 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.84 3exs h GLN 128 Cb 0.77 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 3exs h GLN 128 CO -0.51 0.65 0.24 1.96 -2.65 0.00 0.00 178.83 178.52 3exs h GLN 129 N 0.96 0.81 -0.15 1.69 4.20 0.25 0.14 115.11 123.01 3exs h GLN 129 Ca 0.25 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.86 3exs h GLN 129 Cb -0.06 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 3exs h GLN 129 CO -0.05 0.69 -0.06 -1.49 -0.67 0.00 0.00 178.83 177.25 3exs h TRP 130 N 0.75 -0.13 -0.31 2.96 6.55 -1.06 -0.33 115.95 124.38 3exs h TRP 130 Ca 0.19 0.02 0.05 0.00 0.95 0.00 0.00 58.89 60.09 3exs h TRP 130 Cb 0.16 0.08 -0.04 0.00 -0.86 0.00 0.00 29.16 28.50 3exs h TRP 130 CO 0.00 -0.09 0.03 -0.07 -1.05 0.00 0.00 178.44 177.26 3exs h LEU 131 N -0.03 -0.05 -1.57 -4.49 3.38 -1.22 -0.08 115.31 111.24 3exs h LEU 131 Ca 0.08 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3exs h LEU 131 Cb 0.15 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3exs h LEU 131 CO -0.17 0.01 0.00 0.44 0.09 0.00 0.00 178.44 178.80 3exs h ASP 132 N 0.13 0.00 -0.48 -0.43 3.32 -0.36 -0.70 116.42 117.90 3exs h ASP 132 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3exs h ASP 132 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3exs h ASP 132 CO -0.22 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.30 3exs n ALA 133 N -1.87 2.43 -0.38 3.45 0.00 -0.12 -4.93 120.51 119.07 3exs n ALA 133 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3exs n ALA 133 Cb 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3exs n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3exs n GLY 134 N 1.42 0.73 3.33 0.00 0.00 -0.27 -4.85 105.19 105.55 3exs n GLY 134 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3exs n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3exs s ILE 135 N -2.48 3.82 -0.09 -0.61 1.01 -0.72 -4.97 121.20 117.15 3exs s ILE 135 Ca 0.00 -0.70 0.14 0.00 0.00 0.00 0.00 60.65 60.08 3exs s ILE 135 Cb 0.00 -2.95 0.28 0.00 0.01 0.00 0.00 42.46 39.80 3exs s ILE 135 CO 0.00 0.12 1.13 -1.54 0.00 0.00 0.00 174.94 174.65 3exs n SER 136 N 4.84 1.29 -4.58 3.58 3.41 -1.26 -2.76 113.62 118.14 3exs n SER 136 Ca -0.15 -2.76 -0.33 0.00 -0.26 0.00 0.00 58.87 55.37 3exs n SER 136 Cb 0.48 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.96 3exs n SER 136 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3exs s GLN 137 N -1.58 2.58 -0.01 4.33 -0.21 -1.26 -0.58 119.66 122.93 3exs s GLN 137 Ca 0.26 -0.69 -0.07 0.00 0.02 0.00 0.00 55.36 54.88 3exs s GLN 137 Cb 0.25 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.76 3exs s GLN 137 CO -0.05 0.62 0.15 0.00 -2.12 0.00 0.00 175.29 173.89 3exs s ALA 138 N -0.93 -0.35 -0.21 6.09 0.00 -1.07 -0.53 121.76 124.76 3exs s ALA 138 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.12 3exs s ALA 138 Cb -0.11 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.08 3exs s ALA 138 CO 0.05 -0.19 -0.16 0.42 0.00 0.00 0.00 175.76 175.89 3exs s ILE 139 N -1.10 2.19 -0.27 0.00 1.01 0.14 -1.35 121.20 121.82 3exs s ILE 139 Ca -0.12 -1.10 -0.10 0.00 0.00 0.00 0.00 60.65 59.34 3exs s ILE 139 Cb -0.06 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3exs s ILE 139 CO 0.01 0.38 0.15 -0.47 0.00 0.00 0.00 174.94 175.01 3exs s TYR 140 N 1.25 3.17 -0.19 3.97 5.04 0.24 -1.83 117.35 129.01 3exs s TYR 140 Ca 0.01 -0.12 -0.16 0.00 -2.44 0.00 0.00 57.07 54.36 3exs s TYR 140 Cb -0.15 -2.33 -0.04 0.00 0.35 0.00 0.00 41.96 39.79 3exs s TYR 140 CO -0.10 -0.25 0.42 -1.01 -1.34 0.00 0.00 175.55 173.26 3exs s HIS 141 N 1.70 3.39 0.19 4.97 3.76 -1.26 -1.60 115.29 126.44 3exs s HIS 141 Ca 0.07 0.67 -0.33 0.00 -0.15 0.00 0.00 55.06 55.31 3exs s HIS 141 Cb -0.16 -2.54 -0.14 0.00 1.11 0.00 0.00 32.58 30.85 3exs s HIS 141 CO 0.08 0.01 1.46 0.94 -0.85 0.00 0.00 174.74 176.39 3exs n GLN 142 N 4.38 1.96 -1.72 1.40 7.27 0.15 -4.89 117.38 125.92 3exs n GLN 142 Ca -0.08 0.70 -0.42 0.00 0.07 0.00 0.00 57.00 57.27 3exs n GLN 142 Cb 0.51 -2.40 -0.03 0.00 2.41 0.00 0.00 30.24 30.73 3exs n GLN 142 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3exs s SER 143 N 0.57 6.42 -0.83 1.69 0.15 -1.26 -4.89 113.70 115.54 3exs s SER 143 Ca 0.75 2.78 -0.06 0.00 0.70 0.00 0.00 55.95 60.12 3exs s SER 143 Cb -0.70 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.02 3exs s SER 143 CO 0.44 -0.99 2.86 0.54 1.20 0.00 0.00 173.24 177.29 3exs n ARG 144 N 5.21 3.21 0.00 5.44 1.74 -1.26 -5.16 116.66 125.85 3exs n ARG 144 Ca 0.17 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 3exs n ARG 144 Cb 0.37 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 3exs n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3exs n GLY 154 N 1.91 1.47 0.19 -0.13 0.00 -1.26 -5.30 105.19 102.07 3exs n GLY 154 Ca 0.57 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 44.44 3exs n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3exs h GLU 155 N 0.00 0.00 -0.78 1.61 4.39 -2.03 -2.86 114.58 114.91 3exs h GLU 155 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 3exs h GLU 155 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 3exs h GLU 155 CO 0.00 0.35 0.50 0.87 -1.16 0.00 0.00 179.01 179.57 3exs h LYS 156 N 0.00 0.94 0.19 2.33 6.56 -2.06 -2.44 116.57 122.09 3exs h LYS 156 Ca -0.00 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 3exs h LYS 156 Cb 0.91 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 3exs h LYS 156 CO 0.05 0.62 -0.09 -0.44 -2.06 0.00 0.00 179.45 177.53 3exs h ASP 157 N 0.97 -0.22 -0.97 0.86 3.32 -1.96 -3.06 116.42 115.36 3exs h ASP 157 Ca 0.31 -0.25 0.18 0.00 0.02 0.00 0.00 57.03 57.29 3exs h ASP 157 Cb 0.00 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 39.52 3exs h ASP 157 CO -0.11 0.16 0.61 -0.07 -1.72 0.00 0.00 179.24 178.11 3exs h LEU 158 N -0.63 0.69 -0.34 1.55 3.38 -1.53 -1.00 115.31 117.43 3exs h LEU 158 Ca -0.03 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3exs h LEU 158 Cb 0.46 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3exs h LEU 158 CO 0.04 0.28 -0.20 0.78 0.09 0.00 0.00 178.44 179.43 3exs h ASN 159 N 0.69 0.76 -0.42 -0.43 -0.26 -1.48 0.12 115.58 114.56 3exs h ASN 159 Ca 0.53 -0.42 0.04 0.00 -0.56 0.00 0.00 56.30 55.88 3exs h ASN 159 Cb 0.90 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.91 3exs h ASN 159 CO -0.29 1.02 0.19 0.11 -1.06 0.00 0.00 177.43 177.40 3exs h LYS 160 N 0.51 0.38 0.12 0.81 6.56 -1.28 0.69 116.57 124.36 3exs h LYS 160 Ca 0.07 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.64 3exs h LYS 160 Cb 0.75 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.31 3exs h LYS 160 CO 0.06 0.25 -0.12 0.28 -2.06 0.00 0.00 179.45 177.86 3exs h VAL 161 N 0.39 0.74 -0.96 0.50 2.07 -1.01 -1.44 116.25 116.55 3exs h VAL 161 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.77 3exs h VAL 161 Cb 0.12 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 3exs h VAL 161 CO -0.15 0.00 0.61 0.11 0.02 0.00 0.00 177.57 178.16 3exs h LYS 162 N -0.26 1.06 -0.44 1.57 1.57 -0.56 -1.21 116.57 118.30 3exs h LYS 162 Ca 0.00 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 3exs h LYS 162 Cb 0.25 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3exs h LYS 162 CO -0.03 0.70 -0.29 -0.22 -0.57 0.00 0.00 179.45 179.04 3exs h LYS 163 N 1.09 0.97 -0.55 3.15 3.64 -0.68 0.01 116.57 124.20 3exs h LYS 163 Ca 0.42 -0.46 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3exs h LYS 163 Cb 0.20 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3exs h LYS 163 CO -0.18 1.12 0.11 -0.07 -2.27 0.00 0.00 179.45 178.16 3exs h LEU 164 N 0.81 0.82 0.15 5.20 3.38 -0.97 -0.85 115.31 123.85 3exs h LEU 164 Ca 0.09 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3exs h LEU 164 Cb 0.88 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3exs h LEU 164 CO 0.08 0.82 -0.07 0.40 0.09 0.00 0.00 178.44 179.75 3exs h ILE 165 N 0.83 0.94 -0.95 1.22 2.04 -1.08 -1.50 117.51 119.02 3exs h ILE 165 Ca 0.18 -0.42 0.24 0.00 1.00 0.00 0.00 64.86 65.86 3exs h ILE 165 Cb 0.34 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3exs h ILE 165 CO 0.00 0.10 0.64 -0.08 0.00 0.00 0.00 178.15 178.82 3exs h GLU 166 N -0.41 0.25 0.00 2.37 4.81 -0.64 0.34 114.58 121.30 3exs h GLU 166 Ca -0.02 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3exs h GLU 166 Cb 0.32 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3exs h GLU 166 CO 0.03 0.16 0.00 0.52 -0.73 0.00 0.00 179.01 179.00 3exs h MET 167 N 0.26 0.00 0.00 1.92 2.86 -1.04 -3.47 114.93 115.46 3exs h MET 167 Ca 0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 3exs h MET 167 Cb 1.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.13 3exs h MET 167 CO -0.14 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.24 3exs n GLY 168 N 0.89 1.35 3.79 8.32 0.00 0.11 -5.10 105.19 114.54 3exs n GLY 168 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3exs n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3exs s PHE 169 N -2.00 3.87 -0.40 1.61 0.08 -0.58 -4.92 117.98 115.65 3exs s PHE 169 Ca 0.00 1.51 -0.28 0.00 0.12 0.00 0.00 56.93 58.28 3exs s PHE 169 Cb 0.00 -2.68 0.02 0.00 -0.57 0.00 0.00 43.02 39.80 3exs s PHE 169 CO 0.00 0.54 1.06 1.03 -0.10 0.00 0.00 175.22 177.74 3exs s ARG 170 N -1.15 3.86 -0.25 0.44 0.52 0.25 -4.34 118.95 118.29 3exs s ARG 170 Ca 0.34 0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 56.16 3exs s ARG 170 Cb -0.22 -3.82 -0.05 0.00 0.52 0.00 0.00 34.95 31.38 3exs s ARG 170 CO 0.24 -1.11 0.17 0.08 0.02 0.00 0.00 175.30 174.70 3exs s VAL 171 N 3.91 5.35 -0.06 3.52 1.01 -1.26 -2.60 120.40 130.27 3exs s VAL 171 Ca 0.44 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.54 3exs s VAL 171 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3exs s VAL 171 CO 0.23 0.32 0.20 -0.44 0.00 0.00 0.00 175.10 175.41 3exs s SER 172 N 1.19 6.45 0.07 3.32 0.01 -0.46 -1.52 113.70 122.77 3exs s SER 172 Ca 0.08 0.51 0.09 0.00 1.31 0.00 0.00 55.95 57.94 3exs s SER 172 Cb -0.14 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 63.98 3exs s SER 172 CO 0.06 0.34 -0.23 0.68 0.41 0.00 0.00 173.24 174.50 3exs s VAL 173 N -1.14 1.89 0.19 3.43 -7.23 -0.77 -0.59 120.40 116.17 3exs s VAL 173 Ca 0.21 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 58.80 3exs s VAL 173 Cb -0.13 -1.66 0.02 0.00 0.56 0.00 0.00 36.38 35.18 3exs s VAL 173 CO 0.10 0.17 0.48 0.28 -0.31 0.00 0.00 175.10 175.81 3exs s THR 174 N -0.92 0.03 0.00 5.32 -1.32 -0.63 -1.97 115.64 116.16 3exs s THR 174 Ca 0.09 -0.91 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 3exs s THR 174 Cb -0.10 -1.64 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 3exs s THR 174 CO 0.03 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 3exs n GLY 175 N -0.32 1.94 2.13 6.08 0.00 -1.26 0.30 105.19 114.07 3exs n GLY 175 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3exs n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3exs n GLY 176 N 0.86 0.00 3.44 -0.02 0.00 -1.26 -4.63 105.19 103.58 3exs n GLY 176 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3exs n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3exs s LEU 177 N -0.20 2.53 0.06 0.99 1.43 -1.26 -5.08 118.68 117.15 3exs s LEU 177 Ca 0.00 -0.97 -0.07 0.00 -1.03 0.00 0.00 54.13 52.05 3exs s LEU 177 Cb 0.00 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 3exs s LEU 177 CO 0.00 0.05 0.15 -0.44 0.23 0.00 0.00 176.35 176.34 3exs s SER 178 N -3.21 0.14 0.64 2.29 0.01 -1.26 -4.73 113.70 107.58 3exs s SER 178 Ca 0.26 -0.56 0.37 0.00 1.31 0.00 0.00 55.95 57.33 3exs s SER 178 Cb -0.06 0.28 2.07 0.00 0.21 0.00 0.00 66.02 68.52 3exs s SER 178 CO 0.13 -0.61 2.23 1.62 0.41 0.00 0.00 173.24 177.02 3exs h VAL 179 N 3.24 0.17 -0.00 3.43 3.04 -1.94 -1.54 116.25 122.64 3exs h VAL 179 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3exs h VAL 179 Cb 1.19 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3exs h VAL 179 CO 0.53 0.00 -0.73 0.47 -1.01 0.00 0.00 177.57 176.83 3exs n ASP 180 N -3.30 0.96 -1.23 3.17 8.00 -1.26 -4.14 116.55 118.74 3exs n ASP 180 Ca -0.02 -0.82 0.08 0.00 0.71 0.00 0.00 54.79 54.74 3exs n ASP 180 Cb 0.17 0.65 0.30 0.00 -0.02 0.00 0.00 41.12 42.22 3exs n ASP 180 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3exs n THR 181 N -1.27 2.12 0.04 -3.53 -2.24 -0.58 -4.35 114.28 104.47 3exs n THR 181 Ca 0.06 -1.51 -0.14 0.00 -2.27 0.00 0.00 64.05 60.19 3exs n THR 181 Cb 0.35 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.37 3exs n THR 181 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3exs h LEU 182 N 2.82 0.25 -2.63 3.22 -0.00 -1.72 -3.31 115.31 113.94 3exs h LEU 182 Ca 0.00 -0.37 0.01 0.00 -0.00 0.00 0.00 57.88 57.51 3exs h LEU 182 Cb 1.47 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 42.05 3exs h LEU 182 CO 0.26 1.32 0.07 0.07 -0.00 0.00 0.00 178.44 180.15 3exs h LYS 183 N 0.04 0.00 0.00 1.13 2.10 -1.86 0.17 116.57 118.16 3exs h LYS 183 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3exs h LYS 183 Cb 1.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 3exs h LYS 183 CO 0.13 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 178.86 3exs n LEU 184 N -3.39 0.57 -0.67 7.07 4.77 -1.25 -1.88 117.00 122.22 3exs n LEU 184 Ca -0.02 0.75 0.07 0.00 -0.03 0.00 0.00 56.01 56.78 3exs n LEU 184 Cb 0.15 -0.81 0.12 0.00 -2.33 0.00 0.00 43.42 40.55 3exs n LEU 184 CO 0.23 -0.91 0.56 0.49 -1.33 0.00 0.00 177.39 176.42 3exs n PHE 185 N -2.25 0.26 -1.47 -1.77 3.72 0.05 -5.03 117.46 110.98 3exs n PHE 185 Ca -0.01 -0.23 -0.49 0.00 -0.05 0.00 0.00 57.45 56.67 3exs n PHE 185 Cb 0.05 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 3exs n PHE 185 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3exs n GLU 186 N 0.78 0.37 -0.94 -1.08 2.13 -0.79 -0.90 120.64 120.21 3exs n GLU 186 Ca 0.11 0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.06 3exs n GLU 186 Cb 0.41 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.79 3exs n GLU 186 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3exs n GLY 187 N 1.80 0.29 3.59 8.31 0.00 -1.26 -4.99 105.19 112.93 3exs n GLY 187 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3exs n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3exs s VAL 188 N -1.69 4.37 -0.71 1.61 1.01 -0.08 -5.02 120.40 119.89 3exs s VAL 188 Ca 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 3exs s VAL 188 Cb 0.00 -2.93 -0.15 0.00 0.00 0.00 0.00 36.38 33.31 3exs s VAL 188 CO 0.00 0.50 2.88 -0.67 0.00 0.00 0.00 175.10 177.81 3exs n ASP 189 N 3.26 5.95 -4.72 3.32 2.03 -1.26 -4.93 116.55 120.21 3exs n ASP 189 Ca -0.17 -2.40 -0.42 0.00 0.52 0.00 0.00 54.79 52.31 3exs n ASP 189 Cb 0.53 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.60 3exs n ASP 189 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3exs s VAL 190 N 2.00 3.35 0.04 5.18 1.01 -1.26 -4.71 120.40 126.01 3exs s VAL 190 Ca 0.58 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.37 3exs s VAL 190 Cb 0.21 -3.63 -0.25 0.00 0.00 0.00 0.00 36.38 32.71 3exs s VAL 190 CO -0.03 0.08 1.12 0.15 0.00 0.00 0.00 175.10 176.42 3exs h PHE 191 N 6.73 0.85 -2.78 5.22 3.57 -1.63 -3.36 116.94 125.53 3exs h PHE 191 Ca -0.42 -0.48 -0.14 0.00 3.53 0.00 0.00 57.97 60.46 3exs h PHE 191 Cb 1.21 -0.09 -0.26 0.00 2.79 0.00 0.00 35.95 39.60 3exs h PHE 191 CO 0.66 1.32 -0.33 0.99 -2.23 0.00 0.00 178.31 178.72 3exs s THR 192 N -3.16 -0.02 -0.23 4.41 2.01 -1.22 0.15 115.64 117.58 3exs s THR 192 Ca -0.11 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 3exs s THR 192 Cb 0.05 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 3exs s THR 192 CO 0.88 0.03 0.19 -0.36 -0.69 0.00 0.00 174.62 174.67 3exs s PHE 193 N 0.96 3.34 -0.39 4.92 0.08 0.88 -1.85 117.98 125.93 3exs s PHE 193 Ca -0.06 0.31 -0.15 0.00 0.12 0.00 0.00 56.93 57.15 3exs s PHE 193 Cb -0.07 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.10 3exs s PHE 193 CO -0.07 0.09 0.31 0.42 -0.10 0.00 0.00 175.22 175.87 3exs s ILE 194 N 0.98 5.23 -0.18 0.64 1.01 -0.83 -0.04 121.20 128.01 3exs s ILE 194 Ca 0.09 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.23 3exs s ILE 194 Cb -0.13 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3exs s ILE 194 CO 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 174.94 174.81 3exs s ALA 195 N 1.79 3.42 0.00 9.38 0.00 0.88 -4.39 121.76 132.83 3exs s ALA 195 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3exs s ALA 195 Cb -0.18 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.03 3exs s ALA 195 CO 0.11 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.48 3exs n GLY 196 N 3.44 0.28 0.38 0.00 0.00 -1.26 -1.52 105.19 106.51 3exs n GLY 196 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.02 3exs n GLY 196 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3exs h ARG 197 N 0.00 0.25 0.00 1.61 -0.00 -1.92 0.12 114.38 114.44 3exs h ARG 197 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 3exs h ARG 197 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 29.91 3exs h ARG 197 CO 0.00 0.16 0.00 0.78 -0.00 0.00 0.00 179.97 180.91 3exs h GLY 198 N 0.26 0.00 0.00 0.08 0.00 -1.85 0.21 103.07 101.77 3exs h GLY 198 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.40 3exs h GLY 198 CO -0.07 0.00 -1.84 1.39 0.00 0.00 0.00 176.54 176.02 3exs n ILE 199 N -2.82 0.83 1.67 2.60 5.41 -0.14 -4.70 119.36 122.22 3exs n ILE 199 Ca -0.02 -0.25 0.13 0.00 1.00 0.00 0.00 62.75 63.61 3exs n ILE 199 Cb 0.06 -1.45 0.79 0.00 -0.71 0.00 0.00 39.64 38.33 3exs n ILE 199 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3exs n THR 200 N -3.40 0.00 -4.73 1.39 -2.24 -0.20 -3.77 114.28 101.33 3exs n THR 200 Ca -0.28 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.21 3exs n THR 200 Cb 0.73 -0.58 -0.17 0.00 -2.10 0.00 0.00 70.33 68.22 3exs n THR 200 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3exs s GLU 201 N -2.00 2.29 0.00 -0.78 1.03 0.71 -4.95 118.70 115.01 3exs s GLU 201 Ca 0.40 -0.61 0.00 0.00 0.03 0.00 0.00 54.97 54.79 3exs s GLU 201 Cb 0.18 -1.85 0.00 0.00 -0.80 0.00 0.00 34.13 31.67 3exs s GLU 201 CO 0.31 0.04 0.00 0.00 -1.33 0.00 0.00 175.26 174.28 3exs n ALA 202 N 3.86 0.00 -3.00 -0.84 0.00 -1.25 -4.61 120.51 114.68 3exs n ALA 202 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3exs n ALA 202 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3exs n ALA 202 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3exs n LYS 203 N 0.00 0.00 -4.12 0.00 5.02 -1.26 -4.97 118.16 112.83 3exs n LYS 203 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 3exs n LYS 203 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 3exs n LYS 203 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3exs n ASN 204 N -0.53 0.32 -0.31 4.39 5.15 -1.26 -4.71 115.26 118.31 3exs n ASN 204 Ca 0.00 -1.15 0.26 0.00 -0.60 0.00 0.00 54.58 53.09 3exs n ASN 204 Cb 0.00 -1.42 0.48 0.00 -0.53 0.00 0.00 39.78 38.31 3exs n ASN 204 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3exs n PRO 205 N -4.27 -0.06 -0.22 1.20 -0.02 -1.26 0.22 135.00 130.59 3exs n PRO 205 Ca -0.27 1.33 0.02 0.00 -2.02 0.00 0.00 63.50 62.56 3exs n PRO 205 Cb 0.61 -2.31 0.13 0.00 -0.02 0.00 0.00 33.50 31.91 3exs n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3exs h ALA 206 N 1.89 0.83 -0.13 3.55 0.00 -1.91 0.10 119.26 123.58 3exs h ALA 206 Ca 0.74 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 55.59 3exs h ALA 206 Cb 1.86 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.80 3exs h ALA 206 CO -0.77 -0.27 -0.63 0.78 0.00 0.00 0.00 179.25 178.37 3exs h GLY 207 N 0.33 0.72 -0.11 0.00 0.00 0.23 -0.87 103.07 103.36 3exs h GLY 207 Ca 0.35 -1.01 0.18 0.00 0.00 0.00 0.00 47.33 46.85 3exs h GLY 207 CO -0.40 0.90 0.27 0.00 0.00 0.00 0.00 176.54 177.31 3exs h ALA 208 N 0.51 1.15 -0.08 3.60 0.00 -0.18 0.22 119.26 124.47 3exs h ALA 208 Ca -0.04 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3exs h ALA 208 Cb 1.26 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3exs h ALA 208 CO 0.13 -0.33 -0.61 0.00 0.00 0.00 0.00 179.25 178.44 3exs h ALA 209 N 1.65 0.80 -0.21 0.00 0.00 -0.54 -1.82 119.26 119.14 3exs h ALA 209 Ca 0.47 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3exs h ALA 209 Cb 0.84 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3exs h ALA 209 CO -0.51 0.73 -0.46 -0.09 0.00 0.00 0.00 179.25 178.92 3exs h ARG 210 N 0.21 0.54 0.13 0.00 2.43 -0.36 -1.75 114.38 115.58 3exs h ARG 210 Ca -0.01 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3exs h ARG 210 Cb 1.13 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3exs h ARG 210 CO 0.10 0.89 -0.25 0.00 -1.51 0.00 0.00 179.97 179.20 3exs h ALA 211 N 1.06 -0.83 -0.81 2.80 0.00 -0.38 0.44 119.26 121.53 3exs h ALA 211 Ca 0.03 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3exs h ALA 211 Cb 0.97 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 19.21 3exs h ALA 211 CO 0.09 -0.88 -0.24 0.74 0.00 0.00 0.00 179.25 178.96 3exs h PHE 212 N -0.41 -0.56 -0.11 0.00 -1.00 -1.33 0.17 116.94 113.71 3exs h PHE 212 Ca -0.01 0.08 -0.09 0.00 2.81 0.00 0.00 57.97 60.75 3exs h PHE 212 Cb 0.39 0.37 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 3exs h PHE 212 CO -0.29 -0.36 -0.36 -0.22 -1.61 0.00 0.00 178.31 175.47 3exs h LYS 213 N -0.02 0.22 -0.33 1.51 1.63 -0.93 -2.50 116.57 116.16 3exs h LYS 213 Ca 0.37 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 60.04 3exs h LYS 213 Cb 0.59 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 3exs h LYS 213 CO -0.84 0.55 0.05 -0.44 -3.45 0.00 0.00 179.45 175.32 3exs h ASP 214 N 0.19 0.52 -0.00 4.20 3.32 0.18 -2.12 116.42 122.71 3exs h ASP 214 Ca 0.02 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.82 3exs h ASP 214 Cb 0.72 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3exs h ASP 214 CO 0.05 0.66 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.07 3exs h GLU 215 N 0.37 -0.13 -0.79 3.56 4.57 -1.01 -0.67 114.58 120.48 3exs h GLU 215 Ca 0.10 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.46 3exs h GLU 215 Cb 0.36 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 28.86 3exs h GLU 215 CO 0.01 -0.09 0.24 0.82 -1.18 0.00 0.00 179.01 178.81 3exs h ILE 216 N -0.13 0.50 -0.00 2.32 2.04 -1.43 0.22 117.51 121.02 3exs h ILE 216 Ca 0.03 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3exs h ILE 216 Cb 0.17 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3exs h ILE 216 CO -0.08 0.06 0.00 0.50 0.00 0.00 0.00 178.15 178.63 3exs h LYS 217 N 0.31 0.00 -0.42 2.37 3.64 -0.91 -0.54 116.57 121.01 3exs h LYS 217 Ca 0.46 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.92 3exs h LYS 217 Cb 0.81 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 3exs h LYS 217 CO -0.52 0.18 -0.03 -0.09 -2.27 0.00 0.00 179.45 176.72 3exs h ARG 218 N -0.18 0.08 0.00 1.90 2.43 -0.37 0.68 114.38 118.92 3exs h ARG 218 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3exs h ARG 218 Cb 0.18 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3exs h ARG 218 CO -0.00 0.05 -0.20 -0.89 -1.51 0.00 0.00 179.97 177.42 3exs n ILE 219 N -5.23 0.32 -0.53 1.20 5.41 -0.01 -4.20 119.36 116.32 3exs n ILE 219 Ca 0.03 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3exs n ILE 219 Cb 0.23 -0.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 3exs n ILE 219 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 3exs n TRP 220 N -1.94 0.00 0.44 1.39 8.01 -0.23 -4.79 117.44 120.31 3exs n TRP 220 Ca 0.05 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.28 3exs n TRP 220 Cb 0.40 0.00 0.21 0.00 -2.01 0.00 0.00 31.31 29.91 3exs n TRP 220 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09