#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkw n GLU 2 N 0.00 0.46 0.00 3.17 1.02 -1.26 -4.62 120.64 119.41 3dkw n GLU 2 Ca 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3dkw n GLU 2 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 3dkw n GLU 2 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3dkw n PHE 3 N -2.19 0.00 0.00 -0.32 3.72 -1.26 -4.90 117.46 112.51 3dkw n PHE 3 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3dkw n PHE 3 Cb 0.50 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 3dkw n PHE 3 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3dkw n GLN 4 N -0.87 0.00 -0.00 -1.08 -0.06 -1.26 -3.29 117.38 110.82 3dkw n GLN 4 Ca 0.00 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.05 3dkw n GLN 4 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 3dkw n GLN 4 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3dkw n ARG 5 N 0.00 0.68 0.06 3.69 1.74 -1.26 -4.51 116.66 117.06 3dkw n ARG 5 Ca 0.00 -0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 3dkw n ARG 5 Cb 0.00 -1.20 0.47 0.00 -1.02 0.00 0.00 32.46 30.72 3dkw n ARG 5 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3dkw n VAL 6 N -1.77 0.51 0.01 1.55 3.14 -1.21 -3.20 118.33 117.36 3dkw n VAL 6 Ca -0.01 -0.01 0.10 0.00 -2.96 0.00 0.00 64.34 61.46 3dkw n VAL 6 Cb 0.24 -0.73 -0.14 0.00 -1.06 0.00 0.00 33.84 32.15 3dkw n VAL 6 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 3dkw n HIS 7 N -1.88 0.18 1.17 1.45 -0.00 -1.26 -4.18 115.22 110.70 3dkw n HIS 7 Ca 0.05 0.05 0.13 0.00 -0.00 0.00 0.00 57.72 57.95 3dkw n HIS 7 Cb 0.32 -0.60 0.64 0.00 -0.00 0.00 0.00 29.99 30.35 3dkw n HIS 7 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3dkw n GLN 8 N -2.35 0.32 -0.06 1.57 6.02 -1.19 -3.68 117.38 118.00 3dkw n GLN 8 Ca -0.04 0.05 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 3dkw n GLN 8 Cb 0.59 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.22 3dkw n GLN 8 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3dkw n GLN 9 N -1.31 0.65 0.18 -1.09 -0.06 -1.26 -4.01 117.38 110.48 3dkw n GLN 9 Ca 0.11 0.43 0.06 0.00 -2.00 0.00 0.00 57.00 55.60 3dkw n GLN 9 Cb 0.22 -1.72 0.23 0.00 -4.06 0.00 0.00 30.24 24.91 3dkw n GLN 9 CO 0.00 0.00 0.00 1.37 -0.20 0.00 0.00 177.06 178.23 3dkw h LEU 10 N -0.53 0.00 -0.78 1.69 -0.00 -1.79 -3.09 115.31 110.81 3dkw h LEU 10 Ca -0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.44 3dkw h LEU 10 Cb 1.64 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.29 3dkw h LEU 10 CO -0.09 0.37 -0.20 -0.07 -0.00 0.00 0.00 178.44 178.44 3dkw h LEU 11 N 0.00 0.00 -0.82 0.17 3.38 -1.75 -3.02 115.31 113.27 3dkw h LEU 11 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dkw h LEU 11 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dkw h LEU 11 CO 0.05 0.20 0.00 1.67 0.09 0.00 0.00 178.44 180.45 3dkw n GLN 12 N -3.26 0.16 0.07 1.13 7.27 -1.17 -1.60 117.38 119.98 3dkw n GLN 12 Ca 0.01 0.47 0.04 0.00 0.07 0.00 0.00 57.00 57.59 3dkw n GLN 12 Cb 0.48 -1.86 -0.04 0.00 2.41 0.00 0.00 30.24 31.23 3dkw n GLN 12 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3dkw h SER 13 N 0.00 0.00 -3.99 1.69 4.64 -1.71 -3.42 113.55 110.76 3dkw h SER 13 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3dkw h SER 13 Cb 0.25 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3dkw h SER 13 CO 0.00 0.39 0.38 -2.28 -0.87 0.00 0.00 176.83 174.46 3dkw s HIS 14 N -3.06 3.29 0.32 4.77 5.65 -0.63 -4.97 115.29 120.67 3dkw s HIS 14 Ca -0.01 1.65 0.08 0.00 0.25 0.00 0.00 55.06 57.02 3dkw s HIS 14 Cb 0.09 -3.03 0.55 0.00 -1.18 0.00 0.00 32.58 29.00 3dkw s HIS 14 CO 0.79 -0.44 1.76 1.12 -0.65 0.00 0.00 174.74 177.32 3dkw h HIS 15 N 2.32 0.25 0.00 3.88 2.07 -1.90 -2.85 115.15 118.92 3dkw h HIS 15 Ca -0.48 -0.06 -0.12 0.00 -2.85 0.00 0.00 60.37 56.86 3dkw h HIS 15 Cb 1.21 -0.06 -0.02 0.00 2.57 0.00 0.00 27.41 31.11 3dkw h HIS 15 CO 0.59 0.54 -0.59 -0.07 -3.07 0.00 0.00 177.93 175.33 3dkw h LEU 16 N 0.19 0.00 -2.92 6.12 3.38 -1.93 -3.20 115.31 116.95 3dkw h LEU 16 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dkw h LEU 16 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3dkw h LEU 16 CO 0.05 0.59 0.00 0.49 0.09 0.00 0.00 178.44 179.66 3dkw n PHE 17 N -3.69 0.75 -0.06 1.13 3.01 -1.17 -4.58 117.46 112.85 3dkw n PHE 17 Ca -0.01 -0.55 -0.15 0.00 1.01 0.00 0.00 57.45 57.76 3dkw n PHE 17 Cb 0.62 -0.07 -0.13 0.00 -0.01 0.00 0.00 39.48 39.89 3dkw n PHE 17 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3dkw h GLU 18 N 2.79 0.03 0.00 -1.08 5.08 -1.50 -3.33 114.58 116.57 3dkw h GLU 18 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3dkw h GLU 18 Cb 0.95 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3dkw h GLU 18 CO 0.05 1.02 0.00 -0.35 -1.00 0.00 0.00 179.01 178.73 3dkw n PRO 19 N -4.57 0.94 -3.39 2.33 -0.04 -1.26 -4.82 135.00 124.19 3dkw n PRO 19 Ca -0.10 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.99 3dkw n PRO 19 Cb 0.51 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 3dkw n PRO 19 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dkw s LEU 20 N -1.52 4.42 0.40 1.53 1.43 -1.25 -4.92 118.68 118.77 3dkw s LEU 20 Ca 0.23 1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 54.18 3dkw s LEU 20 Cb 0.11 -3.00 -0.10 0.00 0.03 0.00 0.00 46.19 43.24 3dkw s LEU 20 CO 0.18 0.20 1.00 -0.94 0.23 0.00 0.00 176.35 177.02 3dkw s SER 21 N -1.43 6.86 0.43 2.29 1.04 -1.26 -4.85 113.70 116.79 3dkw s SER 21 Ca 0.32 1.89 0.19 0.00 0.48 0.00 0.00 55.95 58.82 3dkw s SER 21 Cb -0.16 -2.57 1.12 0.00 0.10 0.00 0.00 66.02 64.51 3dkw s SER 21 CO 0.18 -0.41 1.87 -0.65 0.98 0.00 0.00 173.24 175.21 3dkw h PRO 22 N 2.34 0.35 -0.09 4.02 0.11 -1.97 0.37 132.00 137.13 3dkw h PRO 22 Ca -0.48 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.40 3dkw h PRO 22 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dkw h PRO 22 CO 0.62 0.23 -0.78 0.28 -0.21 0.00 0.00 178.00 178.14 3dkw h VAL 23 N 0.36 1.35 0.00 3.15 2.07 -2.01 -2.90 116.25 118.27 3dkw h VAL 23 Ca 0.44 -2.14 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 3dkw h VAL 23 Cb 1.16 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 3dkw h VAL 23 CO -0.15 0.65 -0.17 1.56 0.02 0.00 0.00 177.57 179.48 3dkw h GLN 24 N 0.35 0.00 -0.06 1.57 4.20 -1.34 -3.24 115.11 116.59 3dkw h GLN 24 Ca -0.05 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.43 3dkw h GLN 24 Cb 1.38 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.18 3dkw h GLN 24 CO 0.14 0.13 -0.90 1.25 -0.67 0.00 0.00 178.83 178.78 3dkw h LEU 25 N 0.00 0.79 -1.09 1.46 5.85 -0.33 -3.10 115.31 118.90 3dkw h LEU 25 Ca -0.00 -0.58 -0.09 0.00 0.84 0.00 0.00 57.88 58.04 3dkw h LEU 25 Cb 1.10 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3dkw h LEU 25 CO 0.02 1.38 -0.37 -0.61 -0.34 0.00 0.00 178.44 178.52 3dkw h GLN 26 N 0.39 0.16 -0.38 1.25 4.15 -1.57 -1.43 115.11 117.68 3dkw h GLN 26 Ca -0.08 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.16 3dkw h GLN 26 Cb 1.54 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.20 3dkw h GLN 26 CO 0.17 0.51 -0.20 1.49 -1.93 0.00 0.00 178.83 178.87 3dkw h GLU 27 N 0.14 0.73 0.00 1.69 4.81 -1.58 -2.19 114.58 118.18 3dkw h GLU 27 Ca 0.02 -0.28 -0.16 0.00 -0.13 0.00 0.00 59.36 58.80 3dkw h GLU 27 Cb 0.72 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3dkw h GLU 27 CO 0.05 0.88 -0.78 1.25 -0.73 0.00 0.00 179.01 179.68 3dkw h LEU 28 N 0.65 0.00 -0.06 1.64 5.85 -1.42 -3.15 115.31 118.81 3dkw h LEU 28 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3dkw h LEU 28 Cb 0.69 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3dkw h LEU 28 CO 0.05 0.78 0.00 0.18 -0.34 0.00 0.00 178.44 179.11 3dkw n LEU 29 N -3.37 0.40 0.06 2.25 4.77 -0.56 -3.21 117.00 117.35 3dkw n LEU 29 Ca 0.00 0.55 -0.06 0.00 -0.03 0.00 0.00 56.01 56.47 3dkw n LEU 29 Cb 0.82 -0.43 0.11 0.00 -2.33 0.00 0.00 43.42 41.60 3dkw n LEU 29 CO 0.44 -0.15 0.50 0.00 -1.33 0.00 0.00 177.39 176.85 3dkw h ALA 30 N 2.69 0.83 -0.53 -1.18 0.00 -1.35 -2.87 119.26 116.85 3dkw h ALA 30 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3dkw h ALA 30 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dkw h ALA 30 CO 0.00 0.70 0.00 -1.13 0.00 0.00 0.00 179.25 178.82 3dkw n SER 31 N -3.92 3.11 -4.73 0.00 3.41 -1.20 -4.93 113.62 105.37 3dkw n SER 31 Ca -0.02 -2.08 -0.41 0.00 -0.26 0.00 0.00 58.87 56.09 3dkw n SER 31 Cb 0.60 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 64.11 3dkw n SER 31 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3dkw s SER 32 N -0.95 7.29 -0.06 4.04 1.04 -1.09 -4.59 113.70 119.38 3dkw s SER 32 Ca 0.37 1.96 0.04 0.00 0.48 0.00 0.00 55.95 58.80 3dkw s SER 32 Cb 0.20 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.71 3dkw s SER 32 CO 0.23 -0.24 -0.17 -1.81 0.98 0.00 0.00 173.24 172.23 3dkw s ASP 33 N 0.27 3.74 -0.24 7.02 1.01 -0.90 -4.88 116.67 122.70 3dkw s ASP 33 Ca 0.51 -0.30 -0.14 0.00 0.71 0.00 0.00 52.55 53.33 3dkw s ASP 33 Cb -0.27 -0.90 -0.04 0.00 1.01 0.00 0.00 42.92 42.72 3dkw s ASP 33 CO 0.32 0.30 0.33 -0.22 0.21 0.00 0.00 175.17 176.10 3dkw s LEU 34 N -0.45 4.09 -0.20 1.23 2.96 -1.26 -1.04 118.68 124.01 3dkw s LEU 34 Ca 0.05 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 3dkw s LEU 34 Cb -0.12 -2.37 0.05 0.00 0.50 0.00 0.00 46.19 44.25 3dkw s LEU 34 CO 0.02 -0.09 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.20 3dkw s VAL 35 N 1.63 1.35 -0.85 1.68 1.01 -0.46 -5.02 120.40 119.74 3dkw s VAL 35 Ca 0.14 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 3dkw s VAL 35 Cb -0.15 -1.54 0.21 0.00 0.00 0.00 0.00 36.38 34.91 3dkw s VAL 35 CO 0.08 0.05 0.81 0.20 0.00 0.00 0.00 175.10 176.25 3dkw s ASN 36 N 1.51 6.77 0.47 3.32 -0.87 -1.26 -0.91 114.94 123.97 3dkw s ASN 36 Ca -0.02 -2.67 -0.21 0.00 -1.57 0.00 0.00 52.86 48.39 3dkw s ASN 36 Cb -0.17 -2.23 -0.08 0.00 -0.02 0.00 0.00 41.25 38.75 3dkw s ASN 36 CO -0.07 -0.60 1.05 -0.76 -2.57 0.00 0.00 177.10 174.15 3dkw s LEU 37 N 0.32 3.89 0.00 0.60 1.43 0.24 -4.92 118.68 120.24 3dkw s LEU 37 Ca 0.20 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 3dkw s LEU 37 Cb -0.10 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.64 3dkw s LEU 37 CO -0.09 -0.77 0.00 -0.67 0.23 0.00 0.00 176.35 175.05 3dkw n ASP 38 N -0.82 0.10 -4.71 2.29 2.03 -1.26 -1.50 116.55 112.68 3dkw n ASP 38 Ca 0.09 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.98 3dkw n ASP 38 Cb 0.52 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 3dkw n ASP 38 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3dkw s LYS 39 N 3.28 4.47 -0.99 -0.67 1.02 -1.26 -3.34 119.74 122.25 3dkw s LYS 39 Ca 0.00 1.68 0.00 0.00 0.02 0.00 0.00 55.97 57.67 3dkw s LYS 39 Cb 0.00 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3dkw s LYS 39 CO 0.00 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 3dkw n GLY 40 N 3.09 -0.01 3.85 -3.33 0.00 -1.00 -5.01 105.19 102.78 3dkw n GLY 40 Ca 0.08 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 3dkw n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkw s ALA 41 N -2.56 3.78 0.02 4.61 0.00 -1.20 -4.90 121.76 121.50 3dkw s ALA 41 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 3dkw s ALA 41 Cb 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 23.12 20.87 3dkw s ALA 41 CO 0.00 0.53 0.42 0.71 0.00 0.00 0.00 175.76 177.41 3dkw s TYR 42 N -0.99 3.71 -0.17 0.00 1.51 -1.26 -0.55 117.35 119.60 3dkw s TYR 42 Ca 0.19 0.98 -0.22 0.00 -1.01 0.00 0.00 57.07 57.02 3dkw s TYR 42 Cb -0.14 -2.28 -0.19 0.00 -0.11 0.00 0.00 41.96 39.24 3dkw s TYR 42 CO 0.09 0.62 0.35 0.28 -1.11 0.00 0.00 175.55 175.78 3dkw h VAL 43 N 3.56 1.07 -2.13 0.71 2.07 -1.85 -3.48 116.25 116.20 3dkw h VAL 43 Ca -0.51 -2.06 -0.02 0.00 0.82 0.00 0.00 66.70 64.93 3dkw h VAL 43 Cb 1.22 2.28 -0.22 0.00 -1.52 0.00 0.00 31.29 33.04 3dkw h VAL 43 CO 0.62 0.36 -0.01 0.72 0.02 0.00 0.00 177.57 179.29 3dkw s PHE 44 N -2.25 -0.90 0.46 1.57 -0.71 -1.25 -5.03 117.98 109.87 3dkw s PHE 44 Ca -0.22 1.92 -0.06 0.00 -1.04 0.00 0.00 56.93 57.52 3dkw s PHE 44 Cb 0.02 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 3dkw s PHE 44 CO 0.55 -0.45 0.78 1.03 -1.34 0.00 0.00 175.22 175.79 3dkw s ARG 45 N 1.21 3.58 -0.05 1.99 0.52 -1.26 -1.40 118.95 123.53 3dkw s ARG 45 Ca -0.07 0.24 -0.30 0.00 -0.52 0.00 0.00 55.73 55.08 3dkw s ARG 45 Cb -0.05 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 3dkw s ARG 45 CO -0.13 -0.16 1.20 -1.14 0.02 0.00 0.00 175.30 175.09 3dkw s GLN 46 N -4.55 4.36 0.00 3.54 0.74 -1.26 -3.41 119.66 119.07 3dkw s GLN 46 Ca 0.48 1.68 0.00 0.00 0.05 0.00 0.00 55.36 57.56 3dkw s GLN 46 Cb -0.10 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.46 3dkw s GLN 46 CO 0.42 -0.44 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 3dkw n GLY 47 N 3.36 1.44 3.41 2.59 0.00 -1.19 -4.99 105.19 109.81 3dkw n GLY 47 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3dkw n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkw s GLU 48 N -0.29 1.77 -0.15 1.61 2.02 -1.22 -4.90 118.70 117.53 3dkw s GLU 48 Ca 0.00 -1.15 -0.35 0.00 0.02 0.00 0.00 54.97 53.49 3dkw s GLU 48 Cb 0.00 -2.04 -0.12 0.00 0.10 0.00 0.00 34.13 32.07 3dkw s GLU 48 CO 0.00 0.50 1.92 -2.30 0.02 0.00 0.00 175.26 175.39 3dkw n PRO 49 N 1.31 1.90 -3.03 0.39 -0.02 -1.26 -2.35 135.00 131.94 3dkw n PRO 49 Ca -0.17 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3dkw n PRO 49 Cb 0.52 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 3dkw n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dkw s ALA 50 N 4.59 3.50 0.00 3.55 0.00 0.53 -4.83 121.76 129.10 3dkw s ALA 50 Ca 0.96 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3dkw s ALA 50 Cb -0.75 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.15 3dkw s ALA 50 CO 0.53 -1.22 0.18 0.72 0.00 0.00 0.00 175.76 175.96 3dkw n HIS 51 N 6.11 0.00 -3.67 0.00 8.25 -1.26 -4.92 115.22 119.73 3dkw n HIS 51 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 3dkw n HIS 51 Cb 0.48 0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.51 3dkw n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dkw s ALA 52 N 0.00 -1.47 0.28 -1.41 0.00 -1.26 -0.50 121.76 117.39 3dkw s ALA 52 Ca 0.00 1.85 0.05 0.00 0.00 0.00 0.00 51.96 53.86 3dkw s ALA 52 Cb 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 3dkw s ALA 52 CO 0.00 -0.30 0.41 -0.59 0.00 0.00 0.00 175.76 175.27 3dkw s PHE 53 N 0.98 3.34 0.01 0.00 -0.71 -1.03 -4.93 117.98 115.64 3dkw s PHE 53 Ca -0.05 -0.07 0.08 0.00 -1.04 0.00 0.00 56.93 55.85 3dkw s PHE 53 Cb -0.05 -1.73 -0.02 0.00 -1.21 0.00 0.00 43.02 40.00 3dkw s PHE 53 CO -0.09 0.27 -0.25 0.71 -1.34 0.00 0.00 175.22 174.52 3dkw s TYR 54 N -2.06 2.24 -0.17 3.49 1.51 -1.22 -2.55 117.35 118.59 3dkw s TYR 54 Ca 0.38 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 56.02 3dkw s TYR 54 Cb -0.09 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3dkw s TYR 54 CO 0.30 0.04 -0.16 -0.47 -1.11 0.00 0.00 175.55 174.16 3dkw s TYR 55 N -0.70 2.80 -0.09 2.71 6.14 -0.96 -2.48 117.35 124.77 3dkw s TYR 55 Ca 0.10 -1.28 -0.22 0.00 0.64 0.00 0.00 57.07 56.32 3dkw s TYR 55 Cb -0.10 -1.93 -0.04 0.00 0.42 0.00 0.00 41.96 40.31 3dkw s TYR 55 CO 0.01 -0.63 0.65 -1.17 0.64 0.00 0.00 175.55 175.05 3dkw s LEU 56 N 1.11 4.29 -0.21 6.97 2.96 -1.08 -1.09 118.68 131.63 3dkw s LEU 56 Ca 0.00 1.07 -0.19 0.00 -0.22 0.00 0.00 54.13 54.79 3dkw s LEU 56 Cb -0.14 -2.98 -0.16 0.00 0.50 0.00 0.00 46.19 43.40 3dkw s LEU 56 CO -0.06 -0.11 0.11 -0.38 -1.32 0.00 0.00 176.35 174.59 3dkw n ILE 57 N 3.85 1.52 -3.70 6.68 5.41 -0.71 -1.00 119.36 131.42 3dkw n ILE 57 Ca -0.02 -0.03 -0.11 0.00 1.00 0.00 0.00 62.75 63.59 3dkw n ILE 57 Cb 0.51 -2.07 -0.11 0.00 -0.71 0.00 0.00 39.64 37.26 3dkw n ILE 57 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3dkw s SER 58 N -6.78 -0.49 0.00 4.38 1.04 -1.25 -4.11 113.70 106.49 3dkw s SER 58 Ca -0.28 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.01 3dkw s SER 58 Cb 0.06 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.93 3dkw s SER 58 CO 0.54 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.18 3dkw n GLY 59 N 4.21 0.69 3.01 7.32 0.00 -1.26 -2.39 105.19 116.77 3dkw n GLY 59 Ca -0.23 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 3dkw n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkw s VAL 61 N 1.59 1.49 -0.00 0.00 1.01 -1.15 -3.34 120.40 119.99 3dkw s VAL 61 Ca -0.06 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 3dkw s VAL 61 Cb -0.11 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3dkw s VAL 61 CO -0.08 0.44 0.13 -1.59 0.00 0.00 0.00 175.10 174.00 3dkw s LYS 62 N 1.12 3.23 -0.18 2.72 -2.85 -0.19 -2.75 119.74 120.84 3dkw s LYS 62 Ca -0.04 -0.42 0.01 0.00 -1.00 0.00 0.00 55.97 54.52 3dkw s LYS 62 Cb -0.14 -2.97 0.02 0.00 -2.06 0.00 0.00 37.83 32.68 3dkw s LYS 62 CO -0.04 0.66 -0.19 0.42 0.10 0.00 0.00 175.35 176.30 3dkw s ILE 63 N -1.26 2.18 0.13 3.79 1.01 -1.22 -1.21 121.20 124.62 3dkw s ILE 63 Ca 0.25 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 60.06 3dkw s ILE 63 Cb -0.12 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3dkw s ILE 63 CO 0.16 0.53 -0.15 -0.72 0.00 0.00 0.00 174.94 174.76 3dkw s TYR 64 N 1.27 1.50 0.19 3.97 1.13 0.02 -1.61 117.35 123.82 3dkw s TYR 64 Ca 0.04 -0.54 0.06 0.00 -1.41 0.00 0.00 57.07 55.22 3dkw s TYR 64 Cb -0.13 -0.78 -0.04 0.00 -1.10 0.00 0.00 41.96 39.91 3dkw s TYR 64 CO -0.11 0.19 0.17 1.03 -2.51 0.00 0.00 175.55 174.31 3dkw s ARG 65 N -2.73 2.94 -0.32 -3.49 0.52 0.66 -0.25 118.95 116.29 3dkw s ARG 65 Ca 0.11 -0.91 -0.18 0.00 -0.52 0.00 0.00 55.73 54.23 3dkw s ARG 65 Cb -0.05 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.77 3dkw s ARG 65 CO 0.04 0.46 0.52 -0.51 0.02 0.00 0.00 175.30 175.83 3dkw s LEU 66 N -3.34 4.24 0.01 2.53 1.43 -1.26 -2.12 118.68 120.16 3dkw s LEU 66 Ca 0.32 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 3dkw s LEU 66 Cb -0.09 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 3dkw s LEU 66 CO 0.24 -0.42 0.35 0.42 0.23 0.00 0.00 176.35 177.16 3dkw s THR 67 N 2.39 5.16 0.41 5.49 -4.23 -1.08 -4.99 115.64 118.79 3dkw s THR 67 Ca 0.20 0.52 0.13 0.00 -1.18 0.00 0.00 61.69 61.36 3dkw s THR 67 Cb -0.15 -3.62 0.34 0.00 1.34 0.00 0.00 72.50 70.40 3dkw s THR 67 CO 0.12 0.45 1.94 -0.65 -0.54 0.00 0.00 174.62 175.94 3dkw h PRO 68 N 4.30 0.47 -0.70 3.99 0.11 -1.97 -1.61 132.00 136.58 3dkw h PRO 68 Ca -0.51 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3dkw h PRO 68 Cb 1.21 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3dkw h PRO 68 CO 0.63 0.31 0.36 0.93 -0.21 0.00 0.00 178.00 180.02 3dkw h GLU 69 N 0.48 0.98 0.00 1.05 4.39 -2.03 -3.46 114.58 115.98 3dkw h GLU 69 Ca 0.34 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3dkw h GLU 69 Cb 0.67 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3dkw h GLU 69 CO -0.11 0.73 0.00 0.41 -1.16 0.00 0.00 179.01 178.88 3dkw n GLY 70 N -1.16 0.99 3.24 -3.84 0.00 -0.61 -5.16 105.19 98.65 3dkw n GLY 70 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3dkw n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dkw s GLN 71 N 0.02 1.03 -0.79 1.61 -0.21 -1.25 -5.01 119.66 115.06 3dkw s GLN 71 Ca 0.00 -1.35 -0.13 0.00 0.02 0.00 0.00 55.36 53.90 3dkw s GLN 71 Cb 0.00 -0.71 0.21 0.00 1.00 0.00 0.00 33.01 33.50 3dkw s GLN 71 CO 0.00 0.11 0.72 -1.21 -2.12 0.00 0.00 175.29 172.79 3dkw s GLU 72 N -3.27 3.45 -0.52 2.91 2.02 -1.26 -2.64 118.70 119.39 3dkw s GLU 72 Ca 0.13 -2.44 -0.28 0.00 0.02 0.00 0.00 54.97 52.40 3dkw s GLU 72 Cb -0.01 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.89 3dkw s GLU 72 CO 0.02 -1.28 1.54 0.21 0.02 0.00 0.00 175.26 175.77 3dkw s LYS 73 N 0.20 3.23 0.06 1.61 2.20 -0.90 -4.81 119.74 121.34 3dkw s LYS 73 Ca 0.17 0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 56.16 3dkw s LYS 73 Cb -0.12 -4.16 -0.05 0.00 -1.51 0.00 0.00 37.83 31.98 3dkw s LYS 73 CO -0.08 -2.01 1.07 0.42 -0.36 0.00 0.00 175.35 174.40 3dkw s ILE 74 N 6.59 4.40 -0.08 5.43 -1.09 -1.26 -0.24 121.20 134.93 3dkw s ILE 74 Ca 0.60 1.80 -0.05 0.00 -2.23 0.00 0.00 60.65 60.76 3dkw s ILE 74 Cb -0.13 -4.15 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 3dkw s ILE 74 CO 0.27 0.18 -0.10 -0.07 -1.23 0.00 0.00 174.94 173.99 3dkw h LEU 75 N 6.40 0.00 -7.78 2.97 4.07 -1.67 -3.48 115.31 115.82 3dkw h LEU 75 Ca -0.42 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.39 3dkw h LEU 75 Cb 1.22 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.75 3dkw h LEU 75 CO 0.76 0.45 -0.53 -1.83 -1.08 0.00 0.00 178.44 176.21 3dkw s GLU 76 N -1.72 0.43 -0.35 1.13 -1.05 -1.26 -5.09 118.70 110.80 3dkw s GLU 76 Ca -0.08 -0.40 -0.10 0.00 -0.15 0.00 0.00 54.97 54.25 3dkw s GLU 76 Cb 0.01 0.18 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 3dkw s GLU 76 CO 0.12 -0.10 0.17 0.08 0.95 0.00 0.00 175.26 176.48 3dkw s VAL 77 N -1.30 4.41 -0.18 1.83 1.01 -1.26 -3.41 120.40 121.50 3dkw s VAL 77 Ca -0.14 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3dkw s VAL 77 Cb -0.08 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3dkw s VAL 77 CO 0.01 -0.14 0.63 -0.89 0.00 0.00 0.00 175.10 174.71 3dkw s THR 78 N 1.54 5.03 0.00 3.92 2.01 -1.11 -5.03 115.64 122.00 3dkw s THR 78 Ca 0.02 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.23 3dkw s THR 78 Cb -0.19 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.37 3dkw s THR 78 CO 0.06 0.14 0.00 0.59 -0.69 0.00 0.00 174.62 174.71 3dkw n ASN 79 N 4.83 0.00 -4.79 3.53 4.13 -1.26 -2.95 115.26 118.75 3dkw n ASN 79 Ca -0.02 -0.64 -0.34 0.00 1.68 0.00 0.00 54.58 55.27 3dkw n ASN 79 Cb 0.50 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3dkw n ASN 79 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 3dkw s GLU 80 N -0.38 3.40 -1.12 3.52 -1.05 -1.26 -3.58 118.70 118.24 3dkw s GLU 80 Ca 0.00 1.39 0.00 0.00 -0.15 0.00 0.00 54.97 56.21 3dkw s GLU 80 Cb 0.00 -2.03 0.00 0.00 -0.44 0.00 0.00 34.13 31.66 3dkw s GLU 80 CO 0.00 -0.76 0.00 0.54 0.95 0.00 0.00 175.26 175.99 3dkw n ARG 81 N -1.56 -1.03 -3.88 -4.83 1.74 -0.17 -5.01 116.66 101.93 3dkw n ARG 81 Ca 0.10 0.64 -0.11 0.00 -0.77 0.00 0.00 57.85 57.71 3dkw n ARG 81 Cb 0.52 -4.85 -0.10 0.00 -1.02 0.00 0.00 32.46 27.00 3dkw n ARG 81 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3dkw s ASN 82 N -2.44 0.03 -0.00 0.55 0.01 -1.23 -4.96 114.94 106.90 3dkw s ASN 82 Ca 0.00 -0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 51.96 3dkw s ASN 82 Cb 0.00 0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.82 3dkw s ASN 82 CO 0.00 -0.32 0.12 0.42 -1.51 0.00 0.00 177.10 175.81 3dkw s THR 83 N -1.21 4.99 0.01 1.60 -4.23 -1.26 -2.64 115.64 112.90 3dkw s THR 83 Ca -0.13 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.07 3dkw s THR 83 Cb -0.07 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.45 3dkw s THR 83 CO 0.01 0.33 -0.05 0.72 -0.54 0.00 0.00 174.62 175.09 3dkw s PHE 84 N -1.25 0.45 -0.01 3.99 -0.71 -1.04 -4.80 117.98 114.62 3dkw s PHE 84 Ca 0.25 -0.24 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 3dkw s PHE 84 Cb -0.12 -0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.41 3dkw s PHE 84 CO 0.16 -0.04 0.00 0.00 -1.34 0.00 0.00 175.22 173.99 3dkw n ALA 85 N 2.41 -0.00 0.22 1.99 0.00 -1.26 -3.38 120.51 120.48 3dkw n ALA 85 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.39 3dkw n ALA 85 Cb 0.57 -0.32 0.24 0.00 0.00 0.00 0.00 19.45 19.94 3dkw n ALA 85 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3dkw h GLU 86 N 0.38 0.00 0.00 0.00 9.09 -1.92 -2.96 114.58 119.17 3dkw h GLU 86 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3dkw h GLU 86 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 3dkw h GLU 86 CO 0.00 0.10 0.00 0.00 0.05 0.00 0.00 179.01 179.16 3dkw n ALA 87 N -2.13 1.88 0.30 1.06 0.00 -1.26 -2.21 120.51 118.15 3dkw n ALA 87 Ca 0.03 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.54 3dkw n ALA 87 Cb 0.52 -1.29 0.45 0.00 0.00 0.00 0.00 19.45 19.14 3dkw n ALA 87 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3dkw h MET 88 N 0.00 0.00 0.01 0.00 2.86 -1.80 -2.70 114.93 113.30 3dkw h MET 88 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkw h MET 88 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3dkw h MET 88 CO 0.00 0.00 -0.01 0.52 1.06 0.00 0.00 176.91 178.48 3dkw h MET 89 N 0.00 -0.02 -0.12 1.72 2.86 -1.66 -3.36 114.93 114.35 3dkw h MET 89 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkw h MET 89 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3dkw h MET 89 CO 0.00 0.78 0.07 0.74 1.06 0.00 0.00 176.91 179.56 3dkw h PHE 90 N -0.91 0.17 -4.18 -0.22 -1.00 -1.70 -3.42 116.94 105.67 3dkw h PHE 90 Ca -0.00 -0.00 -0.49 0.00 2.81 0.00 0.00 57.97 60.29 3dkw h PHE 90 Cb 0.80 -0.05 0.03 0.00 3.61 0.00 0.00 35.95 40.34 3dkw h PHE 90 CO 0.21 0.18 0.36 -1.64 -1.61 0.00 0.00 178.31 175.81 3dkw s MET 91 N -5.88 3.81 -0.92 1.51 -1.94 -1.02 -5.02 119.30 109.84 3dkw s MET 91 Ca -0.13 0.83 -0.03 0.00 -1.71 0.00 0.00 55.69 54.65 3dkw s MET 91 Cb 0.07 -2.15 0.23 0.00 2.01 0.00 0.00 34.83 34.99 3dkw s MET 91 CO 0.68 -0.34 0.82 -0.51 -0.01 0.00 0.00 175.02 175.67 3dkw s ASP 92 N -3.45 6.19 -0.25 3.03 1.01 -1.26 -4.72 116.67 117.22 3dkw s ASP 92 Ca 0.57 -3.69 0.02 0.00 0.71 0.00 0.00 52.55 50.16 3dkw s ASP 92 Cb -0.10 -1.95 0.05 0.00 1.01 0.00 0.00 42.92 41.92 3dkw s ASP 92 CO 0.39 -0.20 -0.12 0.42 0.21 0.00 0.00 175.17 175.87 3dkw s THR 93 N -1.31 2.25 0.42 -1.27 -4.23 -1.26 -5.01 115.64 105.22 3dkw s THR 93 Ca 0.28 -1.46 0.09 0.00 -1.18 0.00 0.00 61.69 59.41 3dkw s THR 93 Cb -0.08 -2.25 0.24 0.00 1.34 0.00 0.00 72.50 71.76 3dkw s THR 93 CO -0.12 0.08 2.03 1.55 -0.54 0.00 0.00 174.62 177.63 3dkw h PRO 94 N 7.83 0.40 -6.68 3.99 0.13 -1.94 -3.43 132.00 132.30 3dkw h PRO 94 Ca -0.25 -0.04 -0.68 0.00 -0.87 0.00 0.00 66.00 64.17 3dkw h PRO 94 Cb 1.06 -0.08 -0.19 0.00 0.13 0.00 0.00 31.00 31.92 3dkw h PRO 94 CO 0.50 0.32 -0.80 -0.80 -0.23 0.00 0.00 178.00 177.00 3dkw s ASN 95 N -6.78 3.89 0.32 1.44 0.01 -1.26 -0.35 114.94 112.21 3dkw s ASN 95 Ca -0.07 -0.52 -0.29 0.00 -0.71 0.00 0.00 52.86 51.27 3dkw s ASN 95 Cb 0.17 -0.58 -0.10 0.00 0.41 0.00 0.00 41.25 41.15 3dkw s ASN 95 CO 0.72 0.20 1.39 -0.31 -1.51 0.00 0.00 177.10 177.59 3dkw s TYR 96 N -1.09 2.93 -0.17 2.20 2.02 -0.99 -4.86 117.35 117.38 3dkw s TYR 96 Ca 0.17 1.24 0.18 0.00 -0.37 0.00 0.00 57.07 58.29 3dkw s TYR 96 Cb -0.11 -3.81 -0.04 0.00 -0.40 0.00 0.00 41.96 37.61 3dkw s TYR 96 CO 0.09 -2.38 1.05 -0.39 -1.57 0.00 0.00 175.55 172.35 3dkw h VAL 97 N 3.17 0.45 -3.89 0.71 -1.51 -1.94 -3.15 116.25 110.08 3dkw h VAL 97 Ca -0.49 -1.79 -0.29 0.00 -1.23 0.00 0.00 66.70 62.91 3dkw h VAL 97 Cb 1.23 2.01 -0.20 0.00 -2.13 0.00 0.00 31.29 32.20 3dkw h VAL 97 CO 0.69 0.26 -0.73 0.00 -1.23 0.00 0.00 177.57 176.55 3dkw s ALA 98 N -3.04 0.83 0.05 5.19 0.00 -1.26 -4.82 121.76 118.70 3dkw s ALA 98 Ca -0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 3dkw s ALA 98 Cb 0.08 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.18 3dkw s ALA 98 CO 0.78 -0.03 0.59 0.99 0.00 0.00 0.00 175.76 178.10 3dkw s THR 99 N -1.94 4.79 -0.09 0.00 2.01 0.65 -4.40 115.64 116.66 3dkw s THR 99 Ca -0.02 1.26 -0.01 0.00 0.31 0.00 0.00 61.69 63.23 3dkw s THR 99 Cb -0.06 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 3dkw s THR 99 CO -0.00 0.49 -0.03 0.00 -0.69 0.00 0.00 174.62 174.39 3dkw s ALA 100 N -0.71 3.14 -0.04 7.40 0.00 -0.50 -0.80 121.76 130.25 3dkw s ALA 100 Ca 0.30 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 3dkw s ALA 100 Cb -0.19 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.52 3dkw s ALA 100 CO 0.19 0.51 0.17 -1.14 0.00 0.00 0.00 175.76 175.48 3dkw s GLN 101 N -0.61 0.31 -0.23 0.00 0.74 -0.35 -2.55 119.66 116.97 3dkw s GLN 101 Ca 0.10 0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.45 3dkw s GLN 101 Cb -0.12 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 3dkw s GLN 101 CO 0.02 -0.06 0.10 0.00 -0.55 0.00 0.00 175.29 174.80 3dkw s ALA 102 N -0.42 3.35 0.07 1.58 0.00 0.29 -1.02 121.76 125.61 3dkw s ALA 102 Ca -0.05 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.01 3dkw s ALA 102 Cb -0.03 -2.12 -0.22 0.00 0.00 0.00 0.00 23.12 20.74 3dkw s ALA 102 CO 0.01 -0.25 1.09 -0.39 0.00 0.00 0.00 175.76 176.22 3dkw h VAL 103 N 5.24 1.46 -3.49 0.00 -1.51 -1.86 -2.63 116.25 113.45 3dkw h VAL 103 Ca -0.37 -3.19 -0.45 0.00 -1.23 0.00 0.00 66.70 61.46 3dkw h VAL 103 Cb 1.18 2.75 -0.18 0.00 -2.13 0.00 0.00 31.29 32.90 3dkw h VAL 103 CO 0.62 0.85 -0.77 0.68 -1.23 0.00 0.00 177.57 177.72 3dkw s VAL 104 N -2.67 1.50 -0.48 7.19 -7.23 -1.26 -4.31 120.40 113.14 3dkw s VAL 104 Ca -0.01 -1.79 -0.35 0.00 -1.81 0.00 0.00 61.98 58.02 3dkw s VAL 104 Cb 0.09 -1.64 -0.14 0.00 0.56 0.00 0.00 36.38 35.25 3dkw s VAL 104 CO 0.83 -0.38 2.28 -2.65 -0.31 0.00 0.00 175.10 174.87 3dkw n PRO 105 N 0.45 0.73 -4.43 4.82 -0.02 -1.26 -4.52 135.00 130.77 3dkw n PRO 105 Ca -0.15 0.17 -0.26 0.00 -2.02 0.00 0.00 63.50 61.24 3dkw n PRO 105 Cb 0.57 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 3dkw n PRO 105 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3dkw s SER 106 N 7.84 3.43 -0.22 2.55 0.01 -0.56 -4.65 113.70 122.10 3dkw s SER 106 Ca 1.14 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 57.52 3dkw s SER 106 Cb -0.96 -0.26 0.04 0.00 0.21 0.00 0.00 66.02 65.05 3dkw s SER 106 CO 0.50 0.10 -0.16 -1.58 0.41 0.00 0.00 173.24 172.51 3dkw s GLN 107 N -2.85 2.65 0.18 12.44 0.74 -1.01 -0.59 119.66 131.23 3dkw s GLN 107 Ca 0.22 -1.06 0.11 0.00 0.05 0.00 0.00 55.36 54.68 3dkw s GLN 107 Cb -0.07 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.27 3dkw s GLN 107 CO 0.11 -0.37 -0.22 -0.51 -0.55 0.00 0.00 175.29 173.74 3dkw s LEU 108 N 1.21 2.50 0.04 3.68 1.02 -0.09 -1.74 118.68 125.30 3dkw s LEU 108 Ca -0.01 -0.79 0.01 0.00 0.02 0.00 0.00 54.13 53.35 3dkw s LEU 108 Cb -0.16 -1.26 -0.04 0.00 0.02 0.00 0.00 46.19 44.75 3dkw s LEU 108 CO -0.09 0.13 0.12 -0.36 0.02 0.00 0.00 176.35 176.17 3dkw s PHE 109 N -1.54 3.33 -0.26 0.29 0.40 -0.25 -1.35 117.98 118.59 3dkw s PHE 109 Ca 0.20 0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.73 3dkw s PHE 109 Cb -0.09 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 41.80 3dkw s PHE 109 CO 0.10 0.56 -0.07 0.50 0.70 0.00 0.00 175.22 177.01 3dkw s ARG 110 N -2.19 1.90 -0.07 0.44 3.52 -0.20 -2.26 118.95 120.09 3dkw s ARG 110 Ca 0.29 -1.25 -0.01 0.00 -0.13 0.00 0.00 55.73 54.62 3dkw s ARG 110 Cb -0.12 -2.78 -0.03 0.00 -1.56 0.00 0.00 34.95 30.45 3dkw s ARG 110 CO 0.21 -0.62 0.00 -0.06 -0.81 0.00 0.00 175.30 174.02 3dkw s PHE 111 N 1.21 3.14 0.27 5.12 0.40 -1.06 -2.11 117.98 124.96 3dkw s PHE 111 Ca -0.06 0.17 -0.29 0.00 -0.60 0.00 0.00 56.93 56.15 3dkw s PHE 111 Cb -0.19 -1.76 -0.09 0.00 0.51 0.00 0.00 43.02 41.48 3dkw s PHE 111 CO -0.06 0.47 1.13 0.45 0.70 0.00 0.00 175.22 177.90 3dkw s SER 112 N -1.02 7.20 0.14 1.36 0.15 -1.26 -2.45 113.70 117.82 3dkw s SER 112 Ca 0.15 2.31 -0.10 0.00 0.70 0.00 0.00 55.95 59.00 3dkw s SER 112 Cb -0.11 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 3dkw s SER 112 CO 0.04 -0.20 1.42 0.78 1.20 0.00 0.00 173.24 176.48 3dkw h ASN 113 N 3.93 0.91 -0.10 5.45 2.35 -1.16 -2.95 115.58 124.02 3dkw h ASN 113 Ca -0.47 -0.49 -0.12 0.00 -0.55 0.00 0.00 56.30 54.67 3dkw h ASN 113 Cb 1.21 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3dkw h ASN 113 CO 0.68 1.28 -0.31 0.11 -1.65 0.00 0.00 177.43 177.53 3dkw h LYS 114 N 0.62 0.58 0.00 0.81 1.57 -1.93 -1.67 116.57 116.55 3dkw h LYS 114 Ca 0.01 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 3dkw h LYS 114 Cb 1.16 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3dkw h LYS 114 CO 0.12 0.82 -0.26 0.00 -0.57 0.00 0.00 179.45 179.56 3dkw h ALA 115 N 1.16 1.07 0.08 3.86 0.00 -1.94 -2.63 119.26 120.86 3dkw h ALA 115 Ca 0.06 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 3dkw h ALA 115 Cb 0.79 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3dkw h ALA 115 CO 0.06 0.33 -1.65 -0.92 0.00 0.00 0.00 179.25 177.07 3dkw h TYR 116 N 0.00 0.31 -0.00 0.00 3.20 -1.31 -3.33 116.97 115.83 3dkw h TYR 116 Ca -0.00 -0.23 -0.14 0.00 3.14 0.00 0.00 58.73 61.50 3dkw h TYR 116 Cb 0.72 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 3dkw h TYR 116 CO 0.00 1.34 -0.65 -0.07 -1.64 0.00 0.00 178.16 177.14 3dkw h LEU 117 N 0.05 0.02 -0.77 2.82 3.38 -1.24 -3.12 115.31 116.44 3dkw h LEU 117 Ca -0.28 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 3dkw h LEU 117 Cb 2.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 3dkw h LEU 117 CO 0.12 0.67 -0.54 0.03 0.09 0.00 0.00 178.44 178.81 3dkw h ARG 118 N 0.01 0.00 0.00 1.13 3.08 -1.61 -2.16 114.38 114.82 3dkw h ARG 118 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3dkw h ARG 118 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3dkw h ARG 118 CO 0.09 0.54 0.00 1.96 -1.07 0.00 0.00 179.97 181.49 3dkw h GLN 119 N 0.00 0.00 -0.02 0.04 4.20 -1.65 -2.72 115.11 114.96 3dkw h GLN 119 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3dkw h GLN 119 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3dkw h GLN 119 CO 0.07 0.00 -0.11 1.28 -0.67 0.00 0.00 178.83 179.40 3dkw n LEU 120 N -2.40 2.26 -0.06 1.46 4.77 -0.96 -4.39 117.00 117.68 3dkw n LEU 120 Ca 0.03 -0.92 -0.04 0.00 -0.03 0.00 0.00 56.01 55.04 3dkw n LEU 120 Cb 0.33 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3dkw n LEU 120 CO 0.25 0.40 -0.32 1.67 -1.33 0.00 0.00 177.39 178.06 3dkw n GLN 121 N 0.67 0.39 0.17 3.23 7.27 -0.85 -4.22 117.38 124.04 3dkw n GLN 121 Ca 0.10 0.46 -0.14 0.00 0.07 0.00 0.00 57.00 57.48 3dkw n GLN 121 Cb 0.43 -1.53 -0.08 0.00 2.41 0.00 0.00 30.24 31.47 3dkw n GLN 121 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3dkw h ASP 122 N -0.86 -0.32 0.00 1.69 3.32 -1.81 -3.35 116.42 115.10 3dkw h ASP 122 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3dkw h ASP 122 Cb 0.48 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3dkw h ASP 122 CO 0.00 -0.19 0.00 0.59 -1.72 0.00 0.00 179.24 177.92 3dkw n ASN 123 N -5.23 0.00 0.00 6.45 3.02 -1.26 -4.92 115.26 113.31 3dkw n ASN 123 Ca -0.10 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 3dkw n ASN 123 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3dkw n ASN 123 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3dkw n THR 124 N -0.58 0.00 -0.12 3.41 -2.24 -1.26 -4.78 114.28 108.71 3dkw n THR 124 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3dkw n THR 124 Cb 0.00 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 68.73 3dkw n THR 124 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3dkw h PRO 125 N 0.00 0.40 -0.02 -0.78 0.11 -1.94 0.11 132.00 129.89 3dkw h PRO 125 Ca 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 3dkw h PRO 125 Cb 0.00 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3dkw h PRO 125 CO 0.00 0.27 -0.26 -0.07 -0.21 0.00 0.00 178.00 177.73 3dkw h LEU 126 N 0.42 0.04 -1.68 2.35 3.38 -1.94 0.52 115.31 118.39 3dkw h LEU 126 Ca 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 3dkw h LEU 126 Cb 0.66 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3dkw h LEU 126 CO -0.09 0.30 0.15 0.00 0.09 0.00 0.00 178.44 178.89 3dkw h ALA 127 N 1.70 1.76 0.14 1.53 0.00 -1.04 0.45 119.26 123.79 3dkw h ALA 127 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 3dkw h ALA 127 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dkw h ALA 127 CO 0.03 0.21 -1.39 -0.07 0.00 0.00 0.00 179.25 178.04 3dkw h LEU 128 N 0.37 0.45 -1.24 0.00 3.38 -1.16 -3.22 115.31 113.89 3dkw h LEU 128 Ca 0.10 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 3dkw h LEU 128 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3dkw h LEU 128 CO -0.02 1.43 -0.32 0.00 0.09 0.00 0.00 178.44 179.62 3dkw h ALA 129 N 0.51 1.16 0.00 1.53 0.00 -0.04 -2.41 119.26 120.01 3dkw h ALA 129 Ca -0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3dkw h ALA 129 Cb 2.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 3dkw h ALA 129 CO 0.19 0.40 -0.27 1.25 0.00 0.00 0.00 179.25 180.82 3dkw h LEU 130 N 0.00 0.00 -0.46 0.00 6.46 -0.22 -2.96 115.31 118.12 3dkw h LEU 130 Ca -0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 3dkw h LEU 130 Cb 0.71 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 3dkw h LEU 130 CO 0.04 0.27 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.86 3dkw h LEU 131 N 0.00 0.00 -0.00 2.25 3.38 -1.45 -3.07 115.31 116.42 3dkw h LEU 131 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3dkw h LEU 131 Cb 1.13 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.90 3dkw h LEU 131 CO 0.04 0.21 -1.06 0.00 0.09 0.00 0.00 178.44 177.71 3dkw h ALA 132 N 1.79 0.13 -0.18 1.53 0.00 -1.35 -2.54 119.26 118.65 3dkw h ALA 132 Ca -0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 3dkw h ALA 132 Cb 0.99 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3dkw h ALA 132 CO 0.03 0.70 -0.51 0.87 0.00 0.00 0.00 179.25 180.33 3dkw h LYS 133 N 0.37 0.49 -0.25 0.00 1.79 -1.58 -1.58 116.57 115.81 3dkw h LYS 133 Ca -0.13 -0.30 -0.20 0.00 -2.18 0.00 0.00 60.65 57.84 3dkw h LYS 133 Cb 1.71 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.39 3dkw h LYS 133 CO 0.21 0.89 -0.62 -0.07 -1.08 0.00 0.00 179.45 178.78 3dkw h LEU 134 N 0.39 0.98 -0.06 2.94 3.38 -1.60 -2.60 115.31 118.73 3dkw h LEU 134 Ca 0.01 -0.56 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 3dkw h LEU 134 Cb 1.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3dkw h LEU 134 CO 0.09 1.36 -0.05 0.77 0.09 0.00 0.00 178.44 180.70 3dkw h SER 135 N 0.64 0.15 -0.49 -0.43 4.64 -1.43 -2.49 113.55 114.15 3dkw h SER 135 Ca -0.01 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3dkw h SER 135 Cb 1.23 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3dkw h SER 135 CO 0.13 0.60 0.32 0.71 -0.87 0.00 0.00 176.83 177.72 3dkw h THR 136 N -0.29 1.13 -0.16 2.95 1.35 -1.37 -1.72 112.91 114.80 3dkw h THR 136 Ca 0.01 -0.25 -0.14 0.00 -0.55 0.00 0.00 66.41 65.48 3dkw h THR 136 Cb 0.55 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 3dkw h THR 136 CO 0.01 0.13 -0.50 0.03 -0.25 0.00 0.00 175.52 174.95 3dkw h ARG 137 N 0.67 0.43 -0.05 4.72 2.47 -1.44 -2.94 114.38 118.24 3dkw h ARG 137 Ca 0.18 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3dkw h ARG 137 Cb -0.06 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 3dkw h ARG 137 CO -0.04 0.83 0.01 -0.07 0.56 0.00 0.00 179.97 181.26 3dkw h LEU 138 N 0.34 0.07 -1.15 3.04 3.38 -0.85 -1.97 115.31 118.16 3dkw h LEU 138 Ca 0.02 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.87 3dkw h LEU 138 Cb 0.99 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 3dkw h LEU 138 CO 0.09 0.26 0.59 0.45 0.09 0.00 0.00 178.44 179.91 3dkw h HIS 139 N -0.12 1.02 -0.40 1.13 3.86 -1.45 0.45 115.15 119.65 3dkw h HIS 139 Ca 0.02 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 3dkw h HIS 139 Cb 0.21 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3dkw h HIS 139 CO -0.00 0.49 -0.16 1.96 0.86 0.00 0.00 177.93 181.08 3dkw h GLN 140 N 0.97 0.74 0.00 2.45 4.20 -1.32 -1.70 115.11 120.45 3dkw h GLN 140 Ca 0.41 -0.26 -0.20 0.00 0.06 0.00 0.00 58.65 58.66 3dkw h GLN 140 Cb 0.32 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3dkw h GLN 140 CO -0.17 0.85 -1.03 0.00 -0.67 0.00 0.00 178.83 177.81 3dkw h ARG 141 N 0.66 0.00 -0.38 1.46 2.47 -0.48 -2.85 114.38 115.26 3dkw h ARG 141 Ca 0.11 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.68 3dkw h ARG 141 Cb 0.63 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3dkw h ARG 141 CO 0.04 0.81 -0.33 0.82 0.56 0.00 0.00 179.97 181.88 3dkw h ILE 142 N 0.00 1.28 -0.01 2.04 2.04 -0.02 -1.48 117.51 121.36 3dkw h ILE 142 Ca -0.05 -1.49 -0.10 0.00 1.00 0.00 0.00 64.86 64.22 3dkw h ILE 142 Cb 1.73 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 3dkw h ILE 142 CO 0.11 0.50 -0.47 0.44 0.00 0.00 0.00 178.15 178.73 3dkw h ASP 143 N 0.72 0.03 0.04 1.72 5.19 -1.37 -2.32 116.42 120.43 3dkw h ASP 143 Ca 0.07 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.30 3dkw h ASP 143 Cb 0.89 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.39 3dkw h ASP 143 CO 0.08 0.49 -0.59 -0.33 -3.12 0.00 0.00 179.24 175.78 3dkw h GLU 144 N 0.02 0.55 -0.43 3.56 5.08 -1.25 -1.57 114.58 120.56 3dkw h GLU 144 Ca -0.00 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 57.88 3dkw h GLU 144 Cb 0.84 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3dkw h GLU 144 CO 0.06 0.98 -0.15 0.82 -1.00 0.00 0.00 179.01 179.72 3dkw h ILE 145 N 0.42 1.28 -0.54 3.13 2.04 -1.07 -0.12 117.51 122.64 3dkw h ILE 145 Ca -0.00 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.49 3dkw h ILE 145 Cb 1.14 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 3dkw h ILE 145 CO 0.11 0.43 -0.01 -0.33 0.00 0.00 0.00 178.15 178.35 3dkw h GLU 146 N 0.68 0.96 -0.47 2.37 5.08 -1.40 0.24 114.58 122.05 3dkw h GLU 146 Ca 0.10 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3dkw h GLU 146 Cb 0.70 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3dkw h GLU 146 CO 0.05 0.98 -0.01 1.15 -1.00 0.00 0.00 179.01 180.17 3dkw h THR 147 N 0.84 1.26 -0.32 1.13 2.02 -1.19 -2.36 112.91 114.29 3dkw h THR 147 Ca 0.15 -1.08 -0.14 0.00 0.77 0.00 0.00 66.41 66.11 3dkw h THR 147 Cb 0.55 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3dkw h THR 147 CO 0.03 0.37 -0.38 -0.07 0.37 0.00 0.00 175.52 175.84 3dkw h LEU 148 N 0.68 0.81 -0.47 2.58 3.38 -0.91 -2.08 115.31 119.29 3dkw h LEU 148 Ca 0.13 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3dkw h LEU 148 Cb 0.52 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3dkw h LEU 148 CO 0.03 1.09 0.30 0.77 0.09 0.00 0.00 178.44 180.72 3dkw h SER 149 N 0.63 0.50 0.01 -0.43 4.64 -0.85 0.12 113.55 118.17 3dkw h SER 149 Ca 0.06 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dkw h SER 149 Cb 0.93 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3dkw h SER 149 CO 0.08 0.36 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.33 3dkw h LEU 150 N 0.61 -0.01 -1.01 5.97 3.38 -1.34 -0.14 115.31 122.76 3dkw h LEU 150 Ca 0.18 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.27 3dkw h LEU 150 Cb -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 3dkw h LEU 150 CO -0.06 0.00 0.63 0.11 0.09 0.00 0.00 178.44 179.22 3dkw h LYS 151 N -0.03 0.94 0.00 1.13 1.57 -1.01 0.31 116.57 119.49 3dkw h LYS 151 Ca -0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3dkw h LYS 151 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3dkw h LYS 151 CO 0.00 0.62 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.29 3dkw h ASN 152 N 0.97 0.00 1.74 0.86 2.35 -0.21 -2.47 115.58 118.82 3dkw h ASN 152 Ca 0.51 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.21 3dkw h ASN 152 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3dkw h ASN 152 CO -0.28 0.31 -0.26 0.00 -1.65 0.00 0.00 177.43 175.55 3dkw h ALA 153 N 1.69 0.85 0.12 -0.83 0.00 0.14 -3.16 119.26 118.07 3dkw h ALA 153 Ca -0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 3dkw h ALA 153 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3dkw h ALA 153 CO 0.04 0.24 -1.22 1.79 0.00 0.00 0.00 179.25 180.11 3dkw h THR 154 N 0.00 1.50 -0.01 0.00 1.35 -0.37 -3.28 112.91 112.10 3dkw h THR 154 Ca -0.01 -3.04 -0.26 0.00 -0.55 0.00 0.00 66.41 62.55 3dkw h THR 154 Cb 1.15 2.91 0.02 0.00 -1.73 0.00 0.00 68.15 70.50 3dkw h THR 154 CO 0.02 0.89 -1.02 0.45 -0.25 0.00 0.00 175.52 175.61 3dkw h HIS 155 N 0.08 1.05 -0.18 4.73 -0.00 -1.54 -2.79 115.15 116.50 3dkw h HIS 155 Ca -0.13 -0.56 -0.11 0.00 -0.00 0.00 0.00 60.37 59.57 3dkw h HIS 155 Cb 1.94 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 29.22 3dkw h HIS 155 CO 0.06 1.40 -0.36 0.00 -0.00 0.00 0.00 177.93 179.04 3dkw h ARG 156 N 0.40 0.39 0.00 2.45 3.08 -1.68 -3.08 114.38 115.94 3dkw h ARG 156 Ca -0.13 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 59.61 3dkw h ARG 156 Cb 1.68 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.70 3dkw h ARG 156 CO 0.20 0.70 -0.80 0.28 -1.07 0.00 0.00 179.97 179.29 3dkw h VAL 157 N 0.33 1.05 -0.55 2.04 2.07 -1.66 -3.30 116.25 116.24 3dkw h VAL 157 Ca 0.04 -2.09 0.01 0.00 0.82 0.00 0.00 66.70 65.48 3dkw h VAL 157 Cb 0.79 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 3dkw h VAL 157 CO 0.06 0.36 0.36 0.58 0.02 0.00 0.00 177.57 178.95 3dkw h VAL 158 N -1.00 1.14 -0.09 2.57 2.07 -1.61 -2.66 116.25 116.68 3dkw h VAL 158 Ca -0.21 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 66.92 3dkw h VAL 158 Cb 1.10 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3dkw h VAL 158 CO -0.13 0.13 -0.54 0.08 0.02 0.00 0.00 177.57 177.14 3dkw h ARG 159 N 0.74 0.25 -0.33 1.57 0.11 -1.75 -2.67 114.38 112.30 3dkw h ARG 159 Ca 0.20 -0.15 0.02 0.00 0.10 0.00 0.00 59.98 60.15 3dkw h ARG 159 Cb -0.09 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 30.99 3dkw h ARG 159 CO -0.04 0.72 0.22 -0.92 0.10 0.00 0.00 179.97 180.05 3dkw h TYR 160 N 0.19 0.36 0.00 4.08 3.20 -1.56 0.22 116.97 123.47 3dkw h TYR 160 Ca 0.00 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 3dkw h TYR 160 Cb 1.01 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3dkw h TYR 160 CO 0.02 0.22 -0.55 -0.07 -1.64 0.00 0.00 178.16 176.14 3dkw h LEU 161 N 0.38 0.00 -0.25 2.82 3.38 -1.29 -2.94 115.31 117.41 3dkw h LEU 161 Ca 0.13 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 3dkw h LEU 161 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dkw h LEU 161 CO -0.03 0.55 -0.85 -0.07 0.09 0.00 0.00 178.44 178.13 3dkw h LEU 162 N 0.00 0.55 -0.86 1.67 3.38 -0.47 -2.32 115.31 117.26 3dkw h LEU 162 Ca -0.01 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 3dkw h LEU 162 Cb 1.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3dkw h LEU 162 CO 0.07 1.18 0.15 0.71 0.09 0.00 0.00 178.44 180.64 3dkw h THR 163 N 0.27 1.25 0.00 0.22 1.35 -0.73 0.21 112.91 115.48 3dkw h THR 163 Ca -0.06 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 64.80 3dkw h THR 163 Cb 1.47 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 3dkw h THR 163 CO 0.15 0.35 -0.39 -0.07 -0.25 0.00 0.00 175.52 175.31 3dkw h LEU 164 N 0.95 0.00 -0.54 3.87 3.38 -1.50 -1.94 115.31 119.54 3dkw h LEU 164 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3dkw h LEU 164 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dkw h LEU 164 CO 0.00 0.39 -0.11 0.00 0.09 0.00 0.00 178.44 178.81 3dkw n ALA 165 N -2.36 2.79 0.45 1.53 0.00 -0.68 -4.18 120.51 118.06 3dkw n ALA 165 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3dkw n ALA 165 Cb 0.47 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3dkw n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dkw n ALA 166 N -0.48 2.95 -0.09 0.00 0.00 0.65 -3.74 120.51 119.81 3dkw n ALA 166 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 3dkw n ALA 166 Cb 0.31 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 3dkw n ALA 166 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dkw n HIS 167 N 0.88 0.00 -3.57 0.00 8.25 -1.26 -4.84 115.22 114.67 3dkw n HIS 167 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3dkw n HIS 167 Cb 0.47 -0.58 -0.10 0.00 1.12 0.00 0.00 29.99 30.91 3dkw n HIS 167 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dkw n ALA 168 N -4.24 3.38 -1.54 -1.41 0.00 -1.25 -5.07 120.51 110.38 3dkw n ALA 168 Ca -0.24 -4.19 -0.37 0.00 0.00 0.00 0.00 53.44 48.64 3dkw n ALA 168 Cb 0.58 -0.91 -0.05 0.00 0.00 0.00 0.00 19.45 19.07 3dkw n ALA 168 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dkw n PRO 169 N 1.71 0.91 0.09 0.00 -0.04 -1.26 -4.79 135.00 131.62 3dkw n PRO 169 Ca 0.25 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 3dkw n PRO 169 Cb 0.42 -3.17 0.22 0.00 -0.04 0.00 0.00 33.50 30.93 3dkw n PRO 169 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3dkw h GLY 170 N 18.46 0.00 0.00 0.55 0.00 -1.89 -3.47 103.07 116.71 3dkw h GLY 170 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3dkw h GLY 170 CO 1.19 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.91 3dkw n GLU 171 N -2.30 0.00 0.00 4.80 1.02 -1.26 -4.76 120.64 118.13 3dkw n GLU 171 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3dkw n GLU 171 Cb 0.46 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 3dkw n GLU 171 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dkw n ASN 172 N 1.81 0.00 -3.79 1.62 3.02 -1.26 -4.86 115.26 111.81 3dkw n ASN 172 Ca 0.00 0.00 -0.53 0.00 -0.03 0.00 0.00 54.58 54.02 3dkw n ASN 172 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 3dkw n ASN 172 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dkw n ARG 174 N 2.53 0.00 -0.73 0.00 1.74 -1.26 -4.72 116.66 114.22 3dkw n ARG 174 Ca 0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3dkw n ARG 174 Cb -0.01 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.42 3dkw n ARG 174 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dkw n VAL 175 N -2.51 -1.46 -3.06 1.55 0.31 -1.26 -5.04 118.33 106.86 3dkw n VAL 175 Ca -0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3dkw n VAL 175 Cb 0.00 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 30.71 3dkw n VAL 175 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3dkw s GLU 176 N -1.66 4.34 -0.34 5.55 2.02 -1.24 -5.00 118.70 122.37 3dkw s GLU 176 Ca 0.00 0.96 -0.00 0.00 0.02 0.00 0.00 54.97 55.95 3dkw s GLU 176 Cb 0.00 -2.98 0.13 0.00 0.10 0.00 0.00 34.13 31.38 3dkw s GLU 176 CO 0.00 0.44 0.20 0.42 0.02 0.00 0.00 175.26 176.34 3dkw s ILE 177 N -1.42 0.15 -0.44 -1.63 1.01 -1.26 -4.08 121.20 113.51 3dkw s ILE 177 Ca 0.41 -1.60 -0.22 0.00 0.00 0.00 0.00 60.65 59.24 3dkw s ILE 177 Cb -0.18 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.19 3dkw s ILE 177 CO 0.22 -0.95 0.72 -2.16 0.00 0.00 0.00 174.94 172.77 3dkw s PRO 178 N 1.20 3.35 0.00 2.79 0.04 -1.26 -4.92 135.00 136.19 3dkw s PRO 178 Ca 0.17 -0.23 0.30 0.00 0.04 0.00 0.00 61.00 61.27 3dkw s PRO 178 Cb -0.22 -3.94 1.54 0.00 0.04 0.00 0.00 34.50 31.91 3dkw s PRO 178 CO -0.04 -1.07 2.05 0.28 0.04 0.00 0.00 177.00 178.26 3dkw n VAL 179 N 6.00 0.02 -3.82 -0.36 0.31 -1.26 -4.83 118.33 114.40 3dkw n VAL 179 Ca 0.00 0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 64.09 3dkw n VAL 179 Cb 0.48 -0.52 -0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3dkw n VAL 179 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dkw s ALA 180 N -2.50 4.41 0.74 3.52 0.00 -1.26 -5.11 121.76 121.55 3dkw s ALA 180 Ca 0.30 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 3dkw s ALA 180 Cb 0.20 -0.78 0.04 0.00 0.00 0.00 0.00 23.12 22.58 3dkw s ALA 180 CO 0.44 -0.46 1.10 0.15 0.00 0.00 0.00 175.76 177.00 3dkw s LYS 181 N -4.29 2.38 0.09 0.00 1.02 -1.26 -4.94 119.74 112.74 3dkw s LYS 181 Ca 0.37 1.28 -0.19 0.00 0.02 0.00 0.00 55.97 57.45 3dkw s LYS 181 Cb -0.02 -1.91 -0.07 0.00 -0.52 0.00 0.00 37.83 35.31 3dkw s LYS 181 CO 0.23 -1.56 1.58 1.96 -0.92 0.00 0.00 175.35 176.64 3dkw h GLN 182 N -0.74 0.41 0.01 1.68 4.20 -1.99 -2.88 115.11 115.79 3dkw h GLN 182 Ca -0.45 -0.10 -0.23 0.00 0.06 0.00 0.00 58.65 57.93 3dkw h GLN 182 Cb 1.24 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 3dkw h GLN 182 CO 0.52 0.51 -1.20 -0.07 -0.67 0.00 0.00 178.83 177.92 3dkw h LEU 183 N 0.23 0.02 -1.14 1.46 3.38 -1.93 -3.30 115.31 114.03 3dkw h LEU 183 Ca 0.08 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3dkw h LEU 183 Cb 0.29 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3dkw h LEU 183 CO 0.00 1.02 0.59 0.58 0.09 0.00 0.00 178.44 180.72 3dkw h VAL 184 N 0.00 1.21 0.00 1.22 2.07 -1.94 0.41 116.25 119.22 3dkw h VAL 184 Ca -0.09 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3dkw h VAL 184 Cb 1.84 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3dkw h VAL 184 CO 0.12 0.21 -0.18 0.00 0.02 0.00 0.00 177.57 177.74 3dkw h ALA 185 N 1.46 1.15 0.00 1.67 0.00 -1.59 -2.16 119.26 119.79 3dkw h ALA 185 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3dkw h ALA 185 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dkw h ALA 185 CO -0.08 0.23 -0.35 0.78 0.00 0.00 0.00 179.25 179.82 3dkw h GLY 186 N 1.42 0.00 1.90 0.00 0.00 -1.06 -3.28 103.07 102.04 3dkw h GLY 186 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.16 3dkw h GLY 186 CO 0.02 0.00 -0.74 0.45 0.00 0.00 0.00 176.54 176.27 3dkw h HIS 187 N 0.00 0.14 0.00 5.60 3.86 -0.50 -2.13 115.15 122.12 3dkw h HIS 187 Ca 0.00 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.12 3dkw h HIS 187 Cb 0.84 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.29 3dkw h HIS 187 CO 0.00 0.80 -0.12 -0.07 0.86 0.00 0.00 177.93 179.41 3dkw h LEU 188 N 0.06 0.00 -1.41 2.43 3.38 -1.61 -3.08 115.31 115.08 3dkw h LEU 188 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dkw h LEU 188 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3dkw h LEU 188 CO 0.11 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.21 3dkw n SER 189 N -3.13 2.10 -3.57 -0.43 3.41 -1.16 -4.95 113.62 105.90 3dkw n SER 189 Ca 0.03 -1.82 -0.20 0.00 -0.26 0.00 0.00 58.87 56.62 3dkw n SER 189 Cb 0.56 -0.16 0.05 0.00 -0.26 0.00 0.00 64.21 64.40 3dkw n SER 189 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3dkw n ILE 190 N 0.62 -5.68 -4.13 -1.33 5.41 -1.16 -5.01 119.36 108.07 3dkw n ILE 190 Ca 0.16 -0.67 -0.15 0.00 1.00 0.00 0.00 62.75 63.09 3dkw n ILE 190 Cb 0.39 -4.54 -0.12 0.00 -0.71 0.00 0.00 39.64 34.65 3dkw n ILE 190 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3dkw s GLN 191 N -5.60 0.61 0.78 0.38 -0.21 -0.81 -5.07 119.66 109.74 3dkw s GLN 191 Ca 0.12 -0.71 -0.14 0.00 0.02 0.00 0.00 55.36 54.65 3dkw s GLN 191 Cb -0.03 -0.48 0.04 0.00 1.00 0.00 0.00 33.01 33.55 3dkw s GLN 191 CO 0.79 0.10 1.02 -2.30 -2.12 0.00 0.00 175.29 172.78 3dkw n PRO 192 N 1.71 0.29 0.12 2.91 -0.02 -1.26 -4.46 135.00 134.29 3dkw n PRO 192 Ca -0.20 0.17 -0.02 0.00 -2.02 0.00 0.00 63.50 61.43 3dkw n PRO 192 Cb 0.55 -2.29 0.10 0.00 -0.02 0.00 0.00 33.50 31.84 3dkw n PRO 192 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dkw h GLU 193 N -0.65 0.00 -0.00 -0.52 5.08 -1.93 -3.22 114.58 113.34 3dkw h GLU 193 Ca -0.47 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.65 3dkw h GLU 193 Cb 1.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.57 3dkw h GLU 193 CO 0.45 0.68 -0.99 1.79 -1.00 0.00 0.00 179.01 179.95 3dkw h THR 194 N 0.00 1.35 0.00 1.13 1.35 -2.01 -3.23 112.91 111.49 3dkw h THR 194 Ca -0.01 -2.36 -0.01 0.00 -0.55 0.00 0.00 66.41 63.49 3dkw h THR 194 Cb 1.29 2.40 -0.00 0.00 -1.73 0.00 0.00 68.15 70.10 3dkw h THR 194 CO 0.09 0.71 -0.05 -0.26 -0.25 0.00 0.00 175.52 175.76 3dkw h PHE 195 N 0.31 0.00 0.15 4.73 0.04 -1.95 -3.07 116.94 117.15 3dkw h PHE 195 Ca -0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 3dkw h PHE 195 Cb 1.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.78 3dkw h PHE 195 CO 0.08 0.05 -0.07 0.66 -0.60 0.00 0.00 178.31 178.43 3dkw h SER 196 N 0.00 -0.17 0.94 2.17 4.64 -1.57 -1.89 113.55 117.67 3dkw h SER 196 Ca -0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3dkw h SER 196 Cb 0.62 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3dkw h SER 196 CO 0.01 0.14 0.00 -2.11 -0.87 0.00 0.00 176.83 173.99 3dkw n ARG 197 N -5.05 0.21 0.11 4.77 1.85 -1.22 -2.59 116.66 114.74 3dkw n ARG 197 Ca -0.09 0.35 -0.20 0.00 -1.00 0.00 0.00 57.85 56.92 3dkw n ARG 197 Cb 0.20 -1.84 -0.13 0.00 -1.05 0.00 0.00 32.46 29.65 3dkw n ARG 197 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3dkw h ILE 198 N 0.00 1.38 -0.30 8.89 2.04 -1.41 -2.93 117.51 125.18 3dkw h ILE 198 Ca 0.00 -2.76 -0.15 0.00 1.00 0.00 0.00 64.86 62.95 3dkw h ILE 198 Cb 0.47 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 3dkw h ILE 198 CO 0.00 0.82 -0.42 0.24 0.00 0.00 0.00 178.15 178.79 3dkw h MET 199 N 0.16 0.74 -0.42 2.37 2.86 -1.10 -2.30 114.93 117.23 3dkw h MET 199 Ca -0.18 -0.39 -0.07 0.00 -2.06 0.00 0.00 59.70 57.00 3dkw h MET 199 Cb 1.97 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.63 3dkw h MET 199 CO 0.23 1.02 -0.02 0.45 1.06 0.00 0.00 176.91 179.64 3dkw h HIS 200 N 0.60 0.73 -0.17 -0.22 3.86 -1.58 -2.80 115.15 115.56 3dkw h HIS 200 Ca 0.04 -0.10 -0.18 0.00 -1.16 0.00 0.00 60.37 58.98 3dkw h HIS 200 Cb 0.97 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 3dkw h HIS 200 CO 0.05 0.70 -0.63 0.00 0.86 0.00 0.00 177.93 178.91 3dkw h ARG 201 N 0.64 0.61 -0.50 2.45 3.08 -1.39 -1.76 114.38 117.51 3dkw h ARG 201 Ca 0.13 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3dkw h ARG 201 Cb 0.43 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3dkw h ARG 201 CO 0.02 1.05 0.28 -0.07 -1.07 0.00 0.00 179.97 180.17 3dkw h LEU 202 N 0.45 0.60 -0.01 3.04 3.38 -1.23 -0.54 115.31 121.00 3dkw h LEU 202 Ca -0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 3dkw h LEU 202 Cb 1.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3dkw h LEU 202 CO 0.12 0.48 -0.35 1.23 0.09 0.00 0.00 178.44 180.01 3dkw h GLY 203 N 0.75 0.00 0.95 0.83 0.00 -1.37 -2.96 103.07 101.27 3dkw h GLY 203 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 3dkw h GLY 203 CO -0.03 0.00 -0.55 -0.55 0.00 0.00 0.00 176.54 175.41 3dkw h ASP 204 N 0.00 0.70 1.45 0.19 3.32 -0.31 -0.70 116.42 121.07 3dkw h ASP 204 Ca -0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 57.03 56.41 3dkw h ASP 204 Cb 1.27 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 3dkw h ASP 204 CO 0.05 1.21 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.39 3dkw h GLU 205 N 0.24 0.00 -0.50 3.56 5.08 -1.22 -3.00 114.58 118.73 3dkw h GLU 205 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3dkw h GLU 205 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3dkw h GLU 205 CO 0.11 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 3dkw n GLY 206 N 0.58 0.84 3.77 -3.84 0.00 -1.12 -4.89 105.19 100.53 3dkw n GLY 206 Ca 0.02 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 3dkw n GLY 206 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dkw n ILE 207 N 0.16 -3.21 0.00 -0.61 5.41 -1.13 -4.88 119.36 115.09 3dkw n ILE 207 Ca 0.08 -0.20 -0.01 0.00 1.00 0.00 0.00 62.75 63.62 3dkw n ILE 207 Cb 0.33 -3.45 -0.00 0.00 -0.71 0.00 0.00 39.64 35.81 3dkw n ILE 207 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3dkw n ILE 208 N -4.57 0.24 -4.09 1.39 5.41 -0.71 -4.78 119.36 112.26 3dkw n ILE 208 Ca -0.09 0.05 -0.30 0.00 1.00 0.00 0.00 62.75 63.40 3dkw n ILE 208 Cb 0.59 -1.53 -0.07 0.00 -0.71 0.00 0.00 39.64 37.92 3dkw n ILE 208 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3dkw s HIS 209 N -2.02 3.10 -0.07 1.39 3.76 -0.35 -4.12 115.29 116.98 3dkw s HIS 209 Ca -0.01 0.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 3dkw s HIS 209 Cb 0.01 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 32.12 3dkw s HIS 209 CO 0.02 0.50 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.77 3dkw s LEU 210 N -2.34 1.70 -0.57 0.89 1.43 -1.18 -4.30 118.68 114.32 3dkw s LEU 210 Ca 0.28 -0.32 -0.28 0.00 -1.03 0.00 0.00 54.13 52.77 3dkw s LEU 210 Cb -0.12 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.24 3dkw s LEU 210 CO 0.20 0.05 1.25 -1.81 0.23 0.00 0.00 176.35 176.27 3dkw s ASP 211 N 0.60 6.37 -0.18 2.29 1.01 -1.26 -3.47 116.67 122.04 3dkw s ASP 211 Ca -0.15 0.16 0.19 0.00 0.71 0.00 0.00 52.55 53.47 3dkw s ASP 211 Cb -0.16 -2.55 0.46 0.00 1.01 0.00 0.00 42.92 41.68 3dkw s ASP 211 CO 0.04 -1.53 1.16 0.61 0.21 0.00 0.00 175.17 175.66 3dkw n GLY 212 N 5.11 3.02 2.52 0.21 0.00 -1.25 -5.00 105.19 109.80 3dkw n GLY 212 Ca 0.10 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.74 3dkw n GLY 212 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3dkw n ARG 213 N -0.38 -3.83 0.00 1.61 0.63 -1.26 -4.07 116.66 109.36 3dkw n ARG 213 Ca 0.16 2.98 0.00 0.00 -0.92 0.00 0.00 57.85 60.07 3dkw n ARG 213 Cb 0.92 -4.79 0.00 0.00 0.45 0.00 0.00 32.46 29.04 3dkw n ARG 213 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3dkw n GLU 214 N 1.22 0.00 -2.18 -0.14 1.02 -1.26 -4.72 120.64 114.59 3dkw n GLU 214 Ca -0.25 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.57 3dkw n GLU 214 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.77 3dkw n GLU 214 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3dkw s ILE 215 N 0.00 3.55 -0.46 -3.67 1.01 -1.26 -4.71 121.20 115.67 3dkw s ILE 215 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 60.65 60.01 3dkw s ILE 215 Cb 0.00 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.23 3dkw s ILE 215 CO 0.00 -1.19 0.92 -0.94 0.00 0.00 0.00 174.94 173.73 3dkw s SER 216 N 7.23 6.50 0.16 3.58 1.04 -1.26 -3.90 113.70 127.07 3dkw s SER 216 Ca 0.63 0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.89 3dkw s SER 216 Cb -0.06 -2.45 -0.08 0.00 0.10 0.00 0.00 66.02 63.54 3dkw s SER 216 CO -0.01 -1.03 1.27 -0.63 0.98 0.00 0.00 173.24 173.82 3dkw s ILE 217 N 3.72 3.44 -0.21 -1.02 1.01 -1.23 -3.72 121.20 123.18 3dkw s ILE 217 Ca 0.37 1.14 -0.04 0.00 0.00 0.00 0.00 60.65 62.12 3dkw s ILE 217 Cb -0.10 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 3dkw s ILE 217 CO 0.26 0.15 -0.03 -0.76 0.00 0.00 0.00 174.94 174.56 3dkw s LEU 218 N 0.18 2.97 -0.16 2.97 1.43 -1.26 -3.08 118.68 121.73 3dkw s LEU 218 Ca 0.57 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 3dkw s LEU 218 Cb -0.34 -1.76 -0.12 0.00 0.03 0.00 0.00 46.19 44.00 3dkw s LEU 218 CO 0.35 0.00 0.11 0.44 0.23 0.00 0.00 176.35 177.49 3dkw h ASP 219 N 7.95 0.00 -3.29 2.29 3.32 -1.92 -3.45 116.42 121.33 3dkw h ASP 219 Ca -0.40 -0.32 -0.63 0.00 0.02 0.00 0.00 57.03 55.70 3dkw h ASP 219 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.54 3dkw h ASP 219 CO 0.60 1.04 -0.61 -0.13 -1.72 0.00 0.00 179.24 178.42 3dkw s ARG 220 N -2.20 3.77 -0.14 3.56 0.52 -1.26 -4.95 118.95 118.26 3dkw s ARG 220 Ca -0.19 -0.42 0.18 0.00 -0.52 0.00 0.00 55.73 54.78 3dkw s ARG 220 Cb 0.03 -3.05 -0.26 0.00 0.52 0.00 0.00 34.95 32.19 3dkw s ARG 220 CO 0.39 0.30 0.25 0.39 0.02 0.00 0.00 175.30 176.65 3dkw n GLU 221 N 3.40 0.67 0.18 3.54 4.71 -1.26 -4.26 120.64 127.63 3dkw n GLU 221 Ca -0.17 -0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.11 3dkw n GLU 221 Cb 0.52 -1.56 0.54 0.00 -1.01 0.00 0.00 31.44 29.93 3dkw n GLU 221 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dkw h ARG 222 N 0.00 0.00 0.00 3.49 3.08 -1.94 -2.64 114.38 116.37 3dkw h ARG 222 Ca -0.40 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.57 3dkw h ARG 222 Cb 1.95 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.99 3dkw h ARG 222 CO 0.03 0.00 -0.40 -0.07 -1.07 0.00 0.00 179.97 178.46 3dkw h LEU 223 N 0.00 0.00 0.01 3.04 3.38 -1.96 -3.22 115.31 116.55 3dkw h LEU 223 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3dkw h LEU 223 Cb 0.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3dkw h LEU 223 CO 0.00 0.36 -2.10 -0.62 0.09 0.00 0.00 178.44 176.17 3dkw n GLU 224 N -3.17 0.67 0.15 1.13 1.02 -1.06 -3.49 120.64 115.89 3dkw n GLU 224 Ca 0.02 0.14 0.13 0.00 -0.02 0.00 0.00 57.16 57.43 3dkw n GLU 224 Cb 0.68 -1.64 0.44 0.00 -0.02 0.00 0.00 31.44 30.90 3dkw n GLU 224 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dkw n PHE 226 N -2.47 0.00 1.55 0.00 3.72 -1.22 -5.10 117.46 113.94 3dkw n PHE 226 Ca 0.04 -0.82 0.14 0.00 -0.05 0.00 0.00 57.45 56.76 3dkw n PHE 226 Cb 0.36 -0.15 0.57 0.00 -0.94 0.00 0.00 39.48 39.32 3dkw n PHE 226 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86