#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udw s PRO 20 N 0.00 0.15 -0.40 5.31 0.02 -1.26 -4.99 135.00 133.84 1udw s PRO 20 Ca 0.00 0.88 -0.10 0.00 0.02 0.00 0.00 61.00 61.80 1udw s PRO 20 Cb 0.00 -1.68 0.06 0.00 0.02 0.00 0.00 34.50 32.90 1udw s PRO 20 CO 0.00 -3.01 0.23 0.12 -0.33 0.00 0.00 177.00 174.00 1udw s PHE 21 N -2.70 3.30 0.14 6.54 5.36 1.00 -4.98 117.98 126.63 1udw s PHE 21 Ca 0.66 -1.33 -0.23 0.00 -0.96 0.00 0.00 56.93 55.07 1udw s PHE 21 Cb -0.22 -2.73 -0.07 0.00 -0.34 0.00 0.00 43.02 39.66 1udw s PHE 21 CO 0.60 -0.77 0.69 -0.51 -1.46 0.00 0.00 175.22 173.77 1udw s LEU 22 N 1.47 4.55 -0.08 6.12 1.43 -1.26 -0.52 118.68 130.38 1udw s LEU 22 Ca 0.02 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 1udw s LEU 22 Cb -0.21 -3.17 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1udw s LEU 22 CO 0.04 0.22 0.00 -0.63 0.23 0.00 0.00 176.35 176.21 1udw s ILE 23 N -1.17 0.40 -0.01 -0.59 1.01 0.62 -1.78 121.20 119.68 1udw s ILE 23 Ca 0.34 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.85 1udw s ILE 23 Cb -0.21 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 1udw s ILE 23 CO 0.23 0.22 0.55 -0.83 0.00 0.00 0.00 174.94 175.11 1udw s GLY 24 N 1.96 2.57 -0.12 6.18 0.00 0.71 -0.34 107.32 118.27 1udw s GLY 24 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 44.73 1udw s GLY 24 CO -0.06 0.64 -0.10 0.14 0.00 0.00 0.00 173.10 173.73 1udw s VAL 25 N -0.30 1.18 0.41 1.40 1.01 0.11 -0.56 120.40 123.66 1udw s VAL 25 Ca 0.29 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1udw s VAL 25 Cb -0.18 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1udw s VAL 25 CO 0.16 0.39 0.14 -0.55 0.00 0.00 0.00 175.10 175.24 1udw s SER 26 N 1.58 2.78 0.00 3.32 0.15 -0.15 -1.20 113.70 120.18 1udw s SER 26 Ca 0.04 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 54.99 1udw s SER 26 Cb -0.13 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1udw s SER 26 CO -0.08 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.02 1udw n GLY 27 N -0.91 2.78 3.62 9.45 0.00 -1.26 -0.17 105.19 118.69 1udw n GLY 27 Ca -0.06 -1.34 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 1udw n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1udw s GLY 28 N 0.00 1.59 0.39 -0.02 0.00 -1.26 -4.15 107.32 103.86 1udw s GLY 28 Ca 0.00 -0.87 -0.27 0.00 0.00 0.00 0.00 44.72 43.58 1udw s GLY 28 CO 0.00 -0.03 1.32 -0.37 0.00 0.00 0.00 173.10 174.02 1udw n THR 29 N -4.63 2.28 -2.35 0.90 5.66 -1.26 -2.42 114.28 112.46 1udw n THR 29 Ca 0.12 -0.50 -0.14 0.00 -3.05 0.00 0.00 64.05 60.48 1udw n THR 29 Cb 0.59 -1.65 -0.01 0.00 -1.55 0.00 0.00 70.33 67.71 1udw n THR 29 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1udw n ALA 30 N 0.09 -0.71 0.93 1.79 0.00 -1.26 -4.78 120.51 116.57 1udw n ALA 30 Ca 0.05 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1udw n ALA 30 Cb 0.38 -1.60 0.48 0.00 0.00 0.00 0.00 19.45 18.71 1udw n ALA 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1udw n SER 31 N -1.74 0.26 0.00 0.00 3.41 -1.01 -4.62 113.62 109.92 1udw n SER 31 Ca -0.16 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1udw n SER 31 Cb 0.61 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1udw n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1udw n GLY 32 N 1.47 1.50 0.36 5.00 0.00 -1.26 -4.71 105.19 107.55 1udw n GLY 32 Ca 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1udw n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1udw h LYS 33 N 0.00 1.19 -0.35 1.61 1.57 -1.91 -1.71 116.57 116.97 1udw h LYS 33 Ca 0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1udw h LYS 33 Cb 0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1udw h LYS 33 CO 0.00 0.83 0.08 0.77 -0.57 0.00 0.00 179.45 180.56 1udw h SER 34 N 1.21 0.53 -0.06 0.86 0.02 -1.96 -1.88 113.55 112.27 1udw h SER 34 Ca 0.32 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1udw h SER 34 Cb -0.06 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1udw h SER 34 CO -0.06 0.63 0.02 0.28 -1.14 0.00 0.00 176.83 176.56 1udw h SER 35 N 0.41 0.02 -1.00 3.07 0.02 -1.91 -0.20 113.55 113.94 1udw h SER 35 Ca 0.11 0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.18 1udw h SER 35 Cb 0.31 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.77 1udw h SER 35 CO 0.00 0.02 0.64 0.58 -1.14 0.00 0.00 176.83 176.93 1udw h VAL 36 N 0.05 0.94 -0.51 2.27 2.07 -1.22 0.55 116.25 120.40 1udw h VAL 36 Ca 0.03 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 1udw h VAL 36 Cb 0.01 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.60 1udw h VAL 36 CO -0.03 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 1udw h ALA 38 N 0.93 0.23 -0.63 0.00 0.00 0.37 -1.93 119.26 118.24 1udw h ALA 38 Ca 0.14 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1udw h ALA 38 Cb 0.54 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1udw h ALA 38 CO 0.03 -0.07 0.42 -0.22 0.00 0.00 0.00 179.25 179.40 1udw h LYS 39 N 0.06 0.75 -0.23 0.00 1.63 0.15 0.19 116.57 119.10 1udw h LYS 39 Ca 0.05 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 1udw h LYS 39 Cb 0.36 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1udw h LYS 39 CO 0.01 0.49 -0.13 0.82 -3.45 0.00 0.00 179.45 177.19 1udw h ILE 40 N 0.77 1.31 -0.68 2.00 2.04 -1.01 -2.19 117.51 119.74 1udw h ILE 40 Ca 0.25 -1.22 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1udw h ILE 40 Cb 0.04 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1udw h ILE 40 CO -0.07 0.38 0.45 0.58 0.00 0.00 0.00 178.15 179.49 1udw h VAL 41 N 0.21 1.18 -0.86 1.67 2.07 -0.64 -1.67 116.25 118.21 1udw h VAL 41 Ca 0.05 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.33 1udw h VAL 41 Cb 0.64 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1udw h VAL 41 CO 0.04 0.17 0.52 -0.61 0.02 0.00 0.00 177.57 177.71 1udw h GLN 42 N 0.92 0.88 0.00 1.57 4.15 -0.50 -2.44 115.11 119.70 1udw h GLN 42 Ca 0.25 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1udw h GLN 42 Cb -0.11 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.38 1udw h GLN 42 CO -0.05 0.59 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.10 1udw h LEU 43 N 0.91 0.00 0.00 -2.39 3.38 -0.98 -3.51 115.31 112.72 1udw h LEU 43 Ca 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1udw h LEU 43 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1udw h LEU 43 CO -0.21 0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.53 1udw n LEU 44 N -2.47 0.00 -4.25 1.67 4.77 -0.67 -5.03 117.00 111.02 1udw n LEU 44 Ca 0.04 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.85 1udw n LEU 44 Cb 0.47 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.45 1udw n LEU 44 CO 0.34 -0.54 -0.44 0.00 -1.33 0.00 0.00 177.39 175.41 1udw s GLN 53 N -2.76 1.05 -0.20 3.23 -2.07 -1.26 -5.12 119.66 112.53 1udw s GLN 53 Ca 0.00 -1.29 -0.10 0.00 -1.82 0.00 0.00 55.36 52.15 1udw s GLN 53 Cb 0.00 -0.88 -0.05 0.00 -1.09 0.00 0.00 33.01 30.99 1udw s GLN 53 CO 0.00 0.16 0.12 0.15 -1.32 0.00 0.00 175.29 174.40 1udw s LYS 54 N -2.87 4.13 0.10 9.60 1.02 -1.26 -5.08 119.74 125.37 1udw s LYS 54 Ca 0.11 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 1udw s LYS 54 Cb -0.04 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1udw s LYS 54 CO 0.03 0.25 0.98 -0.65 -0.92 0.00 0.00 175.35 175.04 1udw s GLN 55 N 0.49 4.66 0.04 1.68 -1.52 -1.26 -4.96 119.66 118.79 1udw s GLN 55 Ca 0.07 1.48 0.02 0.00 -1.95 0.00 0.00 55.36 54.98 1udw s GLN 55 Cb -0.12 -3.38 -0.02 0.00 -0.22 0.00 0.00 33.01 29.27 1udw s GLN 55 CO -0.00 0.14 -0.07 0.08 -0.25 0.00 0.00 175.29 175.19 1udw s VAL 56 N 0.18 0.50 -0.03 1.09 1.01 -1.26 -1.27 120.40 120.63 1udw s VAL 56 Ca 0.48 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1udw s VAL 56 Cb -0.24 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.59 1udw s VAL 56 CO 0.30 -0.34 0.16 0.54 0.00 0.00 0.00 175.10 175.77 1udw s VAL 57 N -1.25 0.05 -0.27 2.92 0.11 -1.02 -5.01 120.40 115.93 1udw s VAL 57 Ca -0.09 -0.41 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 1udw s VAL 57 Cb -0.09 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.41 1udw s VAL 57 CO 0.00 -0.22 -0.03 -0.63 -3.33 0.00 0.00 175.10 170.89 1udw s ILE 58 N -0.80 3.03 0.12 7.04 1.01 -1.26 -1.58 121.20 128.76 1udw s ILE 58 Ca -0.09 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.49 1udw s ILE 58 Cb -0.05 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1udw s ILE 58 CO 0.01 0.09 0.22 -0.76 0.00 0.00 0.00 174.94 174.51 1udw s LEU 59 N 1.32 4.22 -0.04 2.97 1.43 0.60 -4.98 118.68 124.20 1udw s LEU 59 Ca -0.01 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1udw s LEU 59 Cb -0.18 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 1udw s LEU 59 CO -0.03 0.10 -0.20 -0.94 0.23 0.00 0.00 176.35 175.51 1udw s SER 60 N -2.95 2.43 0.43 2.29 1.04 -1.26 -2.15 113.70 113.53 1udw s SER 60 Ca 0.34 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.47 1udw s SER 60 Cb -0.12 -0.53 0.94 0.00 0.10 0.00 0.00 66.02 66.42 1udw s SER 60 CO 0.27 0.21 2.06 -0.61 0.98 0.00 0.00 173.24 176.15 1udw h GLN 61 N 5.99 0.37 0.00 4.02 4.15 -1.02 -1.76 115.11 126.85 1udw h GLN 61 Ca -0.35 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1udw h GLN 61 Cb 1.16 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.77 1udw h GLN 61 CO 0.48 0.28 0.00 -0.40 -1.93 0.00 0.00 178.83 177.26 1udw n ASP 62 N -4.46 0.00 0.17 -0.69 5.68 -1.26 -0.83 116.55 115.16 1udw n ASP 62 Ca 0.01 -0.03 0.13 0.00 -0.50 0.00 0.00 54.79 54.40 1udw n ASP 62 Cb 0.10 -0.17 0.37 0.00 -1.14 0.00 0.00 41.12 40.27 1udw n ASP 62 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1udw h SER 63 N 0.00 0.00 -0.66 -1.12 0.02 -1.64 -3.25 113.55 106.90 1udw h SER 63 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 1udw h SER 63 Cb 0.05 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.39 1udw h SER 63 CO 0.00 0.00 0.26 0.49 -1.14 0.00 0.00 176.83 176.44 1udw n PHE 64 N -2.65 2.04 -2.08 3.45 3.01 -0.01 -4.42 117.46 116.79 1udw n PHE 64 Ca 0.04 -1.74 -0.42 0.00 1.01 0.00 0.00 57.45 56.35 1udw n PHE 64 Cb 0.43 -0.71 -0.03 0.00 -0.01 0.00 0.00 39.48 39.15 1udw n PHE 64 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1udw s TYR 65 N -3.28 3.13 0.79 1.38 2.02 -1.23 -0.43 117.35 119.72 1udw s TYR 65 Ca 0.51 1.02 -0.15 0.00 -0.37 0.00 0.00 57.07 58.08 1udw s TYR 65 Cb 0.44 -3.75 0.01 0.00 -0.40 0.00 0.00 41.96 38.26 1udw s TYR 65 CO 0.05 -2.50 0.72 0.54 -1.57 0.00 0.00 175.55 172.79 1udw n ARG 66 N 2.88 0.19 -2.60 -0.62 1.74 -0.79 -4.75 116.66 112.72 1udw n ARG 66 Ca 0.08 0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.85 1udw n ARG 66 Cb 0.41 -2.03 -0.02 0.00 -1.02 0.00 0.00 32.46 29.80 1udw n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1udw s VAL 67 N -2.04 4.41 0.59 1.55 1.01 -1.26 -4.83 120.40 119.83 1udw s VAL 67 Ca 0.67 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 64.11 1udw s VAL 67 Cb -0.31 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 1udw s VAL 67 CO 0.57 -0.54 1.03 -0.76 0.00 0.00 0.00 175.10 175.41 1udw s LEU 68 N 3.86 3.45 0.82 3.92 1.02 -1.26 -5.08 118.68 125.40 1udw s LEU 68 Ca 0.48 1.67 -0.08 0.00 0.02 0.00 0.00 54.13 56.22 1udw s LEU 68 Cb -0.12 -4.51 0.15 0.00 0.02 0.00 0.00 46.19 41.72 1udw s LEU 68 CO 0.18 -1.01 1.13 0.42 0.02 0.00 0.00 176.35 177.09 1udw s THR 69 N -2.67 2.10 0.19 5.49 -4.23 -1.26 -4.83 115.64 110.42 1udw s THR 69 Ca 0.60 -0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.72 1udw s THR 69 Cb -0.13 -2.78 0.05 0.00 1.34 0.00 0.00 72.50 70.97 1udw s THR 69 CO 0.40 0.00 1.62 0.77 -0.54 0.00 0.00 174.62 176.87 1udw h SER 70 N -0.99 1.00 0.68 3.99 4.64 -1.98 -0.84 113.55 120.05 1udw h SER 70 Ca -0.41 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 60.56 1udw h SER 70 Cb 1.26 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1udw h SER 70 CO 0.42 1.10 -0.33 -0.08 -0.87 0.00 0.00 176.83 177.07 1udw h GLU 71 N 0.90 -0.88 -0.03 4.77 4.22 -2.00 -2.17 114.58 119.40 1udw h GLU 71 Ca 0.15 0.06 0.04 0.00 0.08 0.00 0.00 59.36 59.68 1udw h GLU 71 Cb 0.64 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 1udw h GLU 71 CO 0.04 -0.56 -0.28 1.96 -2.18 0.00 0.00 179.01 177.99 1udw h GLN 72 N -1.04 -0.40 -0.60 1.92 4.20 -1.93 -0.35 115.11 116.92 1udw h GLN 72 Ca -0.09 0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.82 1udw h GLN 72 Cb 0.73 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1udw h GLN 72 CO 0.15 -0.26 0.49 -0.22 -0.67 0.00 0.00 178.83 178.32 1udw h LYS 73 N -0.41 0.00 -0.38 1.46 3.64 -1.16 0.39 116.57 120.10 1udw h LYS 73 Ca 0.07 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1udw h LYS 73 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1udw h LYS 73 CO -0.26 0.00 -0.37 0.00 -2.27 0.00 0.00 179.45 176.55 1udw h ALA 74 N 1.57 0.62 0.19 5.00 0.00 -0.38 -2.92 119.26 123.34 1udw h ALA 74 Ca 0.28 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1udw h ALA 74 Cb 1.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1udw h ALA 74 CO -0.00 0.68 -0.09 0.87 0.00 0.00 0.00 179.25 180.70 1udw h LYS 75 N 0.75 -0.25 -1.03 0.00 1.79 0.12 -2.99 116.57 114.96 1udw h LYS 75 Ca 0.07 0.02 0.26 0.00 -2.18 0.00 0.00 60.65 58.81 1udw h LYS 75 Cb 0.95 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.55 1udw h LYS 75 CO 0.09 -0.11 0.63 0.00 -1.08 0.00 0.00 179.45 178.98 1udw h ALA 76 N 0.46 1.99 0.00 3.86 0.00 -1.28 0.41 119.26 124.71 1udw h ALA 76 Ca -0.03 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1udw h ALA 76 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1udw h ALA 76 CO 0.04 -0.45 -0.35 -0.07 0.00 0.00 0.00 179.25 178.43 1udw h LEU 77 N 0.49 0.00 -1.85 0.00 3.38 -1.36 -1.29 115.31 114.67 1udw h LEU 77 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1udw h LEU 77 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1udw h LEU 77 CO -0.40 0.35 0.00 0.29 0.09 0.00 0.00 178.44 178.76 1udw n LYS 78 N -4.07 2.20 -1.78 1.13 5.02 0.13 -4.92 118.16 115.86 1udw n LYS 78 Ca -0.02 -1.83 -0.17 0.00 -2.02 0.00 0.00 58.31 54.28 1udw n LYS 78 Cb 0.39 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1udw n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1udw n GLY 79 N 1.35 1.00 1.75 0.72 0.00 -0.29 -4.88 105.19 104.83 1udw n GLY 79 Ca 0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1udw n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1udw n GLN 80 N -2.55 3.12 -5.11 1.61 6.02 -0.20 -4.39 117.38 115.89 1udw n GLN 80 Ca -0.18 -3.07 -0.31 0.00 -0.01 0.00 0.00 57.00 53.43 1udw n GLN 80 Cb 0.59 -2.10 -0.15 0.00 1.02 0.00 0.00 30.24 29.60 1udw n GLN 80 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1udw s PHE 81 N -3.06 2.44 -0.88 1.08 5.36 -1.26 -4.74 117.98 116.91 1udw s PHE 81 Ca 0.52 -0.35 -0.20 0.00 -0.96 0.00 0.00 56.93 55.94 1udw s PHE 81 Cb 0.43 -1.51 0.12 0.00 -0.34 0.00 0.00 43.02 41.71 1udw s PHE 81 CO 0.10 0.06 1.11 1.21 -1.46 0.00 0.00 175.22 176.24 1udw s ASN 82 N -0.79 6.54 -0.02 6.13 3.84 -1.26 -4.82 114.94 124.56 1udw s ASN 82 Ca 0.11 -1.84 0.09 0.00 0.21 0.00 0.00 52.86 51.43 1udw s ASN 82 Cb -0.10 -2.41 0.29 0.00 -0.55 0.00 0.00 41.25 38.48 1udw s ASN 82 CO 0.00 -1.15 1.20 0.49 -2.79 0.00 0.00 177.10 174.86 1udw n PHE 83 N 6.84 0.50 -0.25 0.43 3.72 -1.26 -3.51 117.46 123.93 1udw n PHE 83 Ca 0.19 -0.23 0.04 0.00 -0.05 0.00 0.00 57.45 57.40 1udw n PHE 83 Cb 0.48 -0.05 0.09 0.00 -0.94 0.00 0.00 39.48 39.07 1udw n PHE 83 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1udw n ASP 84 N 0.40 2.55 -4.87 4.37 9.92 -1.26 -4.91 116.55 122.75 1udw n ASP 84 Ca 0.11 -2.18 -0.37 0.00 -0.53 0.00 0.00 54.79 51.81 1udw n ASP 84 Cb 0.33 -0.17 -0.06 0.00 -0.64 0.00 0.00 41.12 40.58 1udw n ASP 84 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1udw s HIS 85 N -1.32 3.60 0.49 1.24 2.46 -1.23 -4.80 115.29 115.72 1udw s HIS 85 Ca 0.15 0.53 0.37 0.00 0.47 0.00 0.00 55.06 56.58 1udw s HIS 85 Cb 0.10 -1.95 1.53 0.00 -0.13 0.00 0.00 32.58 32.13 1udw s HIS 85 CO 0.07 0.72 1.65 -1.35 -2.47 0.00 0.00 174.74 173.37 1udw h PRO 86 N 5.03 0.06 0.00 2.88 0.11 -1.94 0.42 132.00 138.57 1udw h PRO 86 Ca -0.55 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1udw h PRO 86 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1udw h PRO 86 CO 0.59 0.04 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 1udw n ASP 87 N -4.35 0.33 0.06 -2.05 8.00 -1.26 -2.92 116.55 114.36 1udw n ASP 87 Ca 0.36 0.54 0.10 0.00 0.71 0.00 0.00 54.79 56.50 1udw n ASP 87 Cb 1.54 -0.63 0.41 0.00 -0.02 0.00 0.00 41.12 42.43 1udw n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1udw n ALA 88 N -1.62 1.75 -2.82 2.24 0.00 0.15 -4.75 120.51 115.46 1udw n ALA 88 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 1udw n ALA 88 Cb 0.33 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1udw n ALA 88 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1udw s PHE 89 N -3.14 3.30 -0.46 0.00 0.08 -1.15 -1.89 117.98 114.72 1udw s PHE 89 Ca 0.07 0.14 -0.06 0.00 0.12 0.00 0.00 56.93 57.20 1udw s PHE 89 Cb 0.10 -1.67 -0.12 0.00 -0.57 0.00 0.00 43.02 40.76 1udw s PHE 89 CO 0.36 0.55 3.20 -3.47 -0.10 0.00 0.00 175.22 175.75 1udw n ASP 90 N 0.42 6.31 -0.58 1.36 -0.08 0.42 -4.69 116.55 119.70 1udw n ASP 90 Ca -0.07 -2.75 0.45 0.00 -1.51 0.00 0.00 54.79 50.90 1udw n ASP 90 Cb 0.51 -1.38 0.70 0.00 2.34 0.00 0.00 41.12 43.29 1udw n ASP 90 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1udw n ASN 91 N 2.13 0.05 -0.04 1.67 3.02 -1.26 0.66 115.26 121.50 1udw n ASN 91 Ca 0.51 0.99 -0.12 0.00 -0.03 0.00 0.00 54.58 55.93 1udw n ASN 91 Cb 0.67 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 1udw n ASN 91 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1udw h GLU 92 N 0.00 0.20 -0.43 3.52 3.07 -1.98 -1.51 114.58 117.46 1udw h GLU 92 Ca 0.83 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 59.55 1udw h GLU 92 Cb 3.16 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 31.04 1udw h GLU 92 CO -0.13 0.46 -0.04 1.25 -1.40 0.00 0.00 179.01 179.16 1udw h LEU 93 N -0.08 0.69 -0.08 1.33 5.85 -0.17 -2.61 115.31 120.23 1udw h LEU 93 Ca 0.03 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1udw h LEU 93 Cb 0.38 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1udw h LEU 93 CO 0.01 0.78 0.05 0.40 -0.34 0.00 0.00 178.44 179.33 1udw h ILE 94 N 0.67 1.08 -0.78 4.05 2.04 -1.27 -0.14 117.51 123.15 1udw h ILE 94 Ca 0.13 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1udw h ILE 94 Cb 0.47 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 1udw h ILE 94 CO 0.02 0.07 0.49 0.25 0.00 0.00 0.00 178.15 178.98 1udw h LEU 95 N 0.05 0.82 0.30 1.44 6.46 -1.07 0.33 115.31 123.64 1udw h LEU 95 Ca 0.03 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1udw h LEU 95 Cb 0.07 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1udw h LEU 95 CO -0.00 0.56 -0.14 0.11 -0.62 0.00 0.00 178.44 178.34 1udw h LYS 96 N 0.96 -0.39 -0.18 1.25 1.57 -1.31 -0.42 116.57 118.05 1udw h LYS 96 Ca 0.31 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.17 1udw h LYS 96 Cb 0.01 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1udw h LYS 96 CO -0.11 -0.08 -0.16 1.15 -0.57 0.00 0.00 179.45 179.68 1udw h THR 97 N -0.72 0.56 -0.91 -0.16 2.02 -0.84 0.03 112.91 112.89 1udw h THR 97 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1udw h THR 97 Cb 0.49 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1udw h THR 97 CO 0.07 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 176.41 1udw h LEU 98 N -0.17 1.12 -0.07 2.58 4.07 -0.97 -2.13 115.31 119.73 1udw h LEU 98 Ca 0.11 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 1udw h LEU 98 Cb 0.34 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 1udw h LEU 98 CO -0.29 0.88 0.04 0.11 -1.08 0.00 0.00 178.44 178.11 1udw h LYS 99 N 1.27 0.10 -0.79 1.13 6.56 -0.26 -1.15 116.57 123.42 1udw h LYS 99 Ca 0.32 -0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.92 1udw h LYS 99 Cb -0.01 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.59 1udw h LYS 99 CO -0.06 0.11 0.53 0.93 -2.06 0.00 0.00 179.45 178.90 1udw h GLU 100 N 0.06 1.02 -0.49 3.15 5.08 -0.82 -1.42 114.58 121.16 1udw h GLU 100 Ca 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1udw h GLU 100 Cb 0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1udw h GLU 100 CO -0.00 0.67 0.23 0.82 -1.00 0.00 0.00 179.01 179.73 1udw h ILE 101 N 1.05 1.19 -0.33 3.13 2.04 -1.02 -0.50 117.51 123.07 1udw h ILE 101 Ca 0.30 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.70 1udw h ILE 101 Cb -0.07 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1udw h ILE 101 CO -0.07 0.22 0.24 0.74 0.00 0.00 0.00 178.15 179.28 1udw h THR 102 N 0.65 0.81 -0.00 -0.27 2.02 -0.23 0.31 112.91 116.19 1udw h THR 102 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1udw h THR 102 Cb 0.13 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1udw h THR 102 CO -0.02 0.00 -0.03 -0.62 0.37 0.00 0.00 175.52 175.22 1udw n GLU 103 N -4.40 0.87 -0.64 6.66 1.02 -0.27 -4.44 120.64 119.45 1udw n GLU 103 Ca 0.05 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1udw n GLU 103 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1udw n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1udw n GLY 104 N 1.15 1.23 3.79 0.62 0.00 0.11 -5.02 105.19 107.07 1udw n GLY 104 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1udw n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1udw s LYS 105 N -0.19 2.58 -0.11 1.61 1.02 -0.79 -4.62 119.74 119.24 1udw s LYS 105 Ca 0.00 1.13 -0.11 0.00 0.02 0.00 0.00 55.97 57.01 1udw s LYS 105 Cb 0.00 -1.94 -0.05 0.00 -0.52 0.00 0.00 37.83 35.32 1udw s LYS 105 CO 0.00 -1.39 0.25 -0.08 -0.92 0.00 0.00 175.35 173.20 1udw s THR 106 N -2.85 5.33 0.41 2.17 -1.32 -1.26 -4.39 115.64 113.72 1udw s THR 106 Ca 0.61 0.45 0.05 0.00 -1.21 0.00 0.00 61.69 61.59 1udw s THR 106 Cb -0.17 -3.55 -0.06 0.00 -1.51 0.00 0.00 72.50 67.22 1udw s THR 106 CO 0.53 0.52 0.03 0.68 -2.21 0.00 0.00 174.62 174.17 1udw s VAL 107 N -0.42 1.49 0.05 5.08 -7.23 -0.87 -4.97 120.40 113.53 1udw s VAL 107 Ca 0.17 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1udw s VAL 107 Cb -0.13 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 1udw s VAL 107 CO 0.05 0.00 0.00 -1.10 -0.31 0.00 0.00 175.10 173.75 1udw s GLN 108 N -3.79 2.66 -0.03 4.82 -1.52 -1.26 -0.83 119.66 119.71 1udw s GLN 108 Ca 0.28 -0.74 0.02 0.00 -1.95 0.00 0.00 55.36 52.97 1udw s GLN 108 Cb 0.07 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 1udw s GLN 108 CO 0.14 0.57 -0.08 0.42 -0.25 0.00 0.00 175.29 176.09 1udw s ILE 109 N -1.23 0.73 0.82 1.08 1.01 0.11 -4.94 121.20 118.78 1udw s ILE 109 Ca 0.24 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1udw s ILE 109 Cb -0.12 -0.66 0.09 0.00 0.01 0.00 0.00 42.46 41.78 1udw s ILE 109 CO 0.15 0.23 1.10 -2.16 0.00 0.00 0.00 174.94 174.27 1udw s PRO 110 N 0.22 1.86 -0.15 2.79 0.04 -1.26 -0.53 135.00 137.97 1udw s PRO 110 Ca -0.03 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.24 1udw s PRO 110 Cb -0.08 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1udw s PRO 110 CO 0.00 -1.94 -0.18 0.08 0.04 0.00 0.00 177.00 175.00 1udw s VAL 111 N -2.84 1.82 -0.14 -0.36 1.01 -1.26 -4.77 120.40 113.85 1udw s VAL 111 Ca 0.63 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1udw s VAL 111 Cb -0.19 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1udw s VAL 111 CO 0.57 0.50 0.08 -0.47 0.00 0.00 0.00 175.10 175.77 1udw s TYR 112 N 1.14 3.35 -0.33 5.22 5.04 -1.26 0.41 117.35 130.91 1udw s TYR 112 Ca -0.01 0.26 -0.14 0.00 -2.44 0.00 0.00 57.07 54.74 1udw s TYR 112 Cb -0.14 -1.98 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 1udw s TYR 112 CO -0.07 0.41 0.30 0.34 -1.34 0.00 0.00 175.55 175.19 1udw s ASP 113 N -0.33 6.12 0.13 4.32 -1.08 -0.17 -4.90 116.67 120.77 1udw s ASP 113 Ca 0.09 -0.27 0.27 0.00 -0.52 0.00 0.00 52.55 52.12 1udw s ASP 113 Cb -0.12 -2.17 0.94 0.00 -1.46 0.00 0.00 42.92 40.11 1udw s ASP 113 CO 0.02 -0.26 1.81 0.49 0.52 0.00 0.00 175.17 177.74 1udw n PHE 114 N 5.24 0.59 0.02 -5.34 3.72 -1.26 -1.20 117.46 119.23 1udw n PHE 114 Ca -0.11 0.17 -0.05 0.00 -0.05 0.00 0.00 57.45 57.41 1udw n PHE 114 Cb 0.50 -0.78 -0.11 0.00 -0.94 0.00 0.00 39.48 38.15 1udw n PHE 114 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1udw h VAL 115 N 0.00 0.93 -0.01 -4.37 2.07 -1.90 -3.36 116.25 109.61 1udw h VAL 115 Ca 0.00 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1udw h VAL 115 Cb 0.65 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1udw h VAL 115 CO 0.00 0.53 -0.45 -1.54 0.02 0.00 0.00 177.57 176.13 1udw n SER 116 N -3.08 1.23 -3.05 0.57 3.41 -1.22 -4.99 113.62 106.49 1udw n SER 116 Ca -0.10 -1.12 -0.23 0.00 -0.26 0.00 0.00 58.87 57.16 1udw n SER 116 Cb 0.95 0.66 0.04 0.00 -0.26 0.00 0.00 64.21 65.61 1udw n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1udw n HIS 117 N -0.58 -2.03 -4.06 7.33 -0.00 -0.34 -4.98 115.22 110.56 1udw n HIS 117 Ca 0.05 0.55 -0.13 0.00 -0.00 0.00 0.00 57.72 58.19 1udw n HIS 117 Cb 0.28 -4.57 -0.13 0.00 -0.00 0.00 0.00 29.99 25.57 1udw n HIS 117 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1udw s SER 118 N -2.74 0.55 -0.06 0.41 1.04 -1.02 -4.61 113.70 107.26 1udw s SER 118 Ca 0.32 -0.29 -0.30 0.00 0.48 0.00 0.00 55.95 56.16 1udw s SER 118 Cb -0.14 0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.93 1udw s SER 118 CO 0.40 -0.09 1.51 -0.60 0.98 0.00 0.00 173.24 175.44 1udw s ARG 119 N -0.79 4.22 0.78 4.02 6.06 -1.26 -1.00 118.95 130.97 1udw s ARG 119 Ca -0.05 2.03 -0.11 0.00 -2.50 0.00 0.00 55.73 55.11 1udw s ARG 119 Cb -0.06 -3.82 0.06 0.00 0.06 0.00 0.00 34.95 31.19 1udw s ARG 119 CO -0.00 -0.75 1.08 0.15 -2.50 0.00 0.00 175.30 173.29 1udw s LYS 120 N 3.45 2.25 0.10 5.12 1.02 0.16 -4.92 119.74 126.92 1udw s LYS 120 Ca 0.67 1.02 -0.14 0.00 0.02 0.00 0.00 55.97 57.55 1udw s LYS 120 Cb -0.31 -1.91 -0.11 0.00 -0.52 0.00 0.00 37.83 34.99 1udw s LYS 120 CO 0.26 -1.61 1.37 1.05 -0.92 0.00 0.00 175.35 175.50 1udw h GLU 121 N -1.10 0.76 -7.09 1.68 -0.00 -1.94 -3.42 114.58 103.48 1udw h GLU 121 Ca -0.45 -0.49 -0.47 0.00 -0.00 0.00 0.00 59.36 57.96 1udw h GLU 121 Cb 1.24 0.06 0.22 0.00 -0.00 0.00 0.00 28.75 30.26 1udw h GLU 121 CO 0.54 1.11 -0.11 -0.85 -0.00 0.00 0.00 179.01 179.70 1udw n GLU 122 N -4.12 -1.79 -3.76 1.06 0.28 -1.26 -5.00 120.64 106.05 1udw n GLU 122 Ca -0.05 -0.48 -0.13 0.00 -0.16 0.00 0.00 57.16 56.33 1udw n GLU 122 Cb 0.58 -2.15 -0.09 0.00 1.43 0.00 0.00 31.44 31.21 1udw n GLU 122 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1udw s THR 123 N -2.44 0.04 -0.12 3.84 -1.32 -1.26 -4.09 115.64 110.29 1udw s THR 123 Ca 0.66 -0.32 -0.04 0.00 -1.21 0.00 0.00 61.69 60.78 1udw s THR 123 Cb -0.23 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.16 1udw s THR 123 CO 0.64 -0.17 0.04 -0.69 -2.21 0.00 0.00 174.62 172.23 1udw s VAL 124 N -0.82 4.67 0.04 5.08 1.01 0.31 -4.87 120.40 125.82 1udw s VAL 124 Ca -0.09 -0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 1udw s VAL 124 Cb -0.04 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 1udw s VAL 124 CO 0.03 0.58 0.62 -0.89 0.00 0.00 0.00 175.10 175.44 1udw s THR 125 N -0.62 4.80 -0.23 3.92 2.01 -1.26 0.06 115.64 124.31 1udw s THR 125 Ca 0.11 1.32 -0.02 0.00 0.31 0.00 0.00 61.69 63.41 1udw s THR 125 Cb -0.12 -3.96 0.07 0.00 0.01 0.00 0.00 72.50 68.51 1udw s THR 125 CO 0.02 0.46 0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 1udw s VAL 126 N -0.51 0.67 0.69 3.82 1.01 -0.01 -4.98 120.40 121.09 1udw s VAL 126 Ca 0.32 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1udw s VAL 126 Cb -0.19 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1udw s VAL 126 CO 0.19 -0.36 1.07 -0.31 0.00 0.00 0.00 175.10 175.69 1udw s TYR 127 N 1.77 3.30 0.85 5.22 1.51 -1.26 -2.06 117.35 126.68 1udw s TYR 127 Ca 0.02 0.98 -0.16 0.00 -1.01 0.00 0.00 57.07 56.90 1udw s TYR 127 Cb -0.17 -3.04 -0.10 0.00 -0.11 0.00 0.00 41.96 38.54 1udw s TYR 127 CO -0.14 -1.15 -0.25 -2.30 -1.11 0.00 0.00 175.55 170.60 1udw n PRO 128 N -2.96 0.00 -3.73 -1.71 -0.02 -1.26 -4.93 135.00 120.39 1udw n PRO 128 Ca 0.07 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.47 1udw n PRO 128 Cb 0.57 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.73 1udw n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1udw s ALA 129 N -2.05 -0.96 0.01 3.55 0.00 -1.26 -5.00 121.76 116.06 1udw s ALA 129 Ca 0.50 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.33 1udw s ALA 129 Cb -0.28 0.85 -0.24 0.00 0.00 0.00 0.00 23.12 23.46 1udw s ALA 129 CO 0.73 -0.80 0.87 -0.44 0.00 0.00 0.00 175.76 176.12 1udw h ASP 130 N 2.19 0.11 -3.69 0.00 3.32 -1.55 -3.41 116.42 113.39 1udw h ASP 130 Ca -0.29 -0.17 -0.44 0.00 0.02 0.00 0.00 57.03 56.15 1udw h ASP 130 Cb 1.26 -0.04 -0.32 0.00 0.22 0.00 0.00 39.33 40.46 1udw h ASP 130 CO 0.37 1.15 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.56 1udw s VAL 131 N -2.63 0.82 -0.13 -1.35 1.01 -0.80 -0.00 120.40 117.31 1udw s VAL 131 Ca -0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1udw s VAL 131 Cb 0.08 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.75 1udw s VAL 131 CO 0.83 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 175.42 1udw s VAL 132 N 0.39 1.12 -0.20 2.92 1.01 0.32 -2.43 120.40 123.53 1udw s VAL 132 Ca -0.07 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1udw s VAL 132 Cb -0.11 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 1udw s VAL 132 CO 0.01 0.32 0.16 -0.76 0.00 0.00 0.00 175.10 174.83 1udw s LEU 133 N 1.66 4.19 -0.21 3.92 1.43 -0.61 -0.28 118.68 128.79 1udw s LEU 133 Ca 0.04 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1udw s LEU 133 Cb -0.13 -2.14 0.04 0.00 0.03 0.00 0.00 46.19 43.99 1udw s LEU 133 CO -0.08 0.14 -0.16 0.12 0.23 0.00 0.00 176.35 176.60 1udw s PHE 134 N 0.53 2.91 -0.03 0.29 5.36 0.54 -0.29 117.98 127.29 1udw s PHE 134 Ca 0.09 -1.87 0.07 0.00 -0.96 0.00 0.00 56.93 54.26 1udw s PHE 134 Cb -0.12 -1.90 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 1udw s PHE 134 CO 0.00 -0.83 -0.24 -1.83 -1.46 0.00 0.00 175.22 170.86 1udw s GLU 135 N 1.24 2.24 0.00 10.12 4.04 -0.91 0.07 118.70 135.49 1udw s GLU 135 Ca -0.00 -0.90 0.00 0.00 0.04 0.00 0.00 54.97 54.11 1udw s GLU 135 Cb -0.16 -2.10 0.00 0.00 0.02 0.00 0.00 34.13 31.89 1udw s GLU 135 CO -0.10 0.53 0.00 0.41 -1.84 0.00 0.00 175.26 174.27 1udw n GLY 136 N 2.52 1.24 0.36 -3.83 0.00 -0.34 -0.31 105.19 104.83 1udw n GLY 136 Ca -0.16 -0.48 0.18 0.00 0.00 0.00 0.00 46.02 45.56 1udw n GLY 136 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1udw h ILE 137 N 0.55 0.34 -0.25 -0.61 3.07 -1.86 -2.85 117.51 115.90 1udw h ILE 137 Ca 0.00 0.00 -0.22 0.00 1.55 0.00 0.00 64.86 66.19 1udw h ILE 137 Cb 0.00 0.74 -0.31 0.00 -0.27 0.00 0.00 36.82 36.97 1udw h ILE 137 CO 0.00 0.00 -0.90 0.18 -1.05 0.00 0.00 178.15 176.38 1udw n LEU 138 N -3.60 2.23 0.22 0.16 4.77 -1.26 -4.53 117.00 114.98 1udw n LEU 138 Ca 0.03 -3.19 0.15 0.00 -0.03 0.00 0.00 56.01 52.98 1udw n LEU 138 Cb 0.45 -0.05 0.69 0.00 -2.33 0.00 0.00 43.42 42.18 1udw n LEU 138 CO 0.25 1.13 0.95 0.00 -1.33 0.00 0.00 177.39 178.39 1udw h ALA 139 N 1.64 1.00 -0.01 -1.18 0.00 -1.81 -2.86 119.26 116.03 1udw h ALA 139 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1udw h ALA 139 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1udw h ALA 139 CO 0.22 0.00 -0.28 1.19 0.00 0.00 0.00 179.25 180.37 1udw n PHE 140 N -2.66 0.00 0.22 0.00 3.72 -1.26 -4.38 117.46 113.10 1udw n PHE 140 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 1udw n PHE 140 Cb 0.20 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 1udw n PHE 140 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1udw h TYR 141 N 1.95 -0.84 -2.95 1.38 3.20 -1.85 -3.42 116.97 114.45 1udw h TYR 141 Ca 0.00 -0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.34 1udw h TYR 141 Cb 0.56 0.32 0.02 0.00 1.54 0.00 0.00 36.73 39.16 1udw h TYR 141 CO 0.00 -0.43 0.78 0.45 -1.64 0.00 0.00 178.16 177.32 1udw s SER 142 N -3.45 6.80 0.37 -2.11 0.15 -1.26 -4.92 113.70 109.28 1udw s SER 142 Ca -0.11 2.31 0.16 0.00 0.70 0.00 0.00 55.95 59.01 1udw s SER 142 Cb 0.02 -2.58 0.72 0.00 -1.71 0.00 0.00 66.02 62.47 1udw s SER 142 CO 0.37 -0.69 1.78 -0.61 1.20 0.00 0.00 173.24 175.28 1udw h GLN 143 N 7.13 0.00 0.47 5.44 4.15 -1.97 -0.09 115.11 130.25 1udw h GLN 143 Ca -0.41 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.98 1udw h GLN 143 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1udw h GLN 143 CO 0.88 0.39 -0.23 0.93 -1.93 0.00 0.00 178.83 178.87 1udw h GLU 144 N 0.00 -0.61 -0.25 1.69 5.08 -1.96 -1.69 114.58 116.83 1udw h GLU 144 Ca -0.00 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1udw h GLU 144 Cb 0.79 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1udw h GLU 144 CO 0.05 -0.38 0.10 0.28 -1.00 0.00 0.00 179.01 178.06 1udw h VAL 145 N -0.69 1.17 -0.97 3.13 2.07 -1.90 -2.92 116.25 116.13 1udw h VAL 145 Ca -0.07 -0.53 0.24 0.00 0.82 0.00 0.00 66.70 67.17 1udw h VAL 145 Cb 0.52 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1udw h VAL 145 CO 0.11 0.18 0.64 -0.09 0.02 0.00 0.00 177.57 178.43 1udw h ARG 146 N 0.26 0.32 -0.00 1.57 2.43 -0.91 0.46 114.38 118.52 1udw h ARG 146 Ca 0.08 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1udw h ARG 146 Cb 0.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1udw h ARG 146 CO -0.01 0.21 -0.01 -0.25 -1.51 0.00 0.00 179.97 178.41 1udw n ASP 147 N -4.50 0.07 0.10 -3.80 8.00 -0.64 -3.09 116.55 112.69 1udw n ASP 147 Ca 0.22 -0.56 0.12 0.00 0.71 0.00 0.00 54.79 55.27 1udw n ASP 147 Cb 0.82 -0.14 0.16 0.00 -0.02 0.00 0.00 41.12 41.94 1udw n ASP 147 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1udw h LEU 148 N 0.10 0.00 -9.05 0.64 4.07 -0.96 -3.45 115.31 106.65 1udw h LEU 148 Ca 0.00 -0.11 -0.60 0.00 0.08 0.00 0.00 57.88 57.25 1udw h LEU 148 Cb 0.18 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.82 1udw h LEU 148 CO 0.00 0.05 0.22 -0.36 -1.08 0.00 0.00 178.44 177.27 1udw s PHE 149 N -3.21 3.32 -0.67 1.13 0.08 -1.18 -4.67 117.98 112.78 1udw s PHE 149 Ca 0.05 0.94 0.24 0.00 0.12 0.00 0.00 56.93 58.28 1udw s PHE 149 Cb 0.11 -2.88 0.91 0.00 -0.57 0.00 0.00 43.02 40.59 1udw s PHE 149 CO 0.72 -0.29 1.74 1.04 -0.10 0.00 0.00 175.22 178.33 1udw n GLN 150 N 5.54 0.19 -3.67 0.44 3.00 -0.73 -4.76 117.38 117.39 1udw n GLN 150 Ca 0.01 0.28 -0.13 0.00 -0.01 0.00 0.00 57.00 57.15 1udw n GLN 150 Cb 0.49 -1.78 -0.08 0.00 0.00 0.00 0.00 30.24 28.86 1udw n GLN 150 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 1udw s MET 151 N -3.17 0.68 -0.07 -1.09 0.00 -1.17 -5.05 119.30 109.43 1udw s MET 151 Ca 0.08 0.85 0.02 0.00 0.00 0.00 0.00 55.69 56.64 1udw s MET 151 Cb 0.11 0.30 0.01 0.00 0.00 0.00 0.00 34.83 35.26 1udw s MET 151 CO 0.48 -0.09 -0.11 0.15 0.00 0.00 0.00 175.02 175.45 1udw s LYS 152 N 0.48 1.62 0.04 4.11 1.02 -1.26 -0.21 119.74 125.54 1udw s LYS 152 Ca -0.01 -0.38 0.09 0.00 0.02 0.00 0.00 55.97 55.68 1udw s LYS 152 Cb -0.04 -1.37 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 1udw s LYS 152 CO -0.02 0.01 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.66 1udw s LEU 153 N 0.73 2.22 -0.11 3.17 1.43 0.28 0.28 118.68 126.67 1udw s LEU 153 Ca -0.13 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 1udw s LEU 153 Cb -0.16 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1udw s LEU 153 CO 0.03 0.26 -0.19 0.12 0.23 0.00 0.00 176.35 176.80 1udw s PHE 154 N -0.81 2.31 -0.27 0.29 2.19 -0.40 -0.97 117.98 120.31 1udw s PHE 154 Ca 0.12 -1.08 -0.18 0.00 0.33 0.00 0.00 56.93 56.13 1udw s PHE 154 Cb -0.10 -1.60 -0.03 0.00 -1.31 0.00 0.00 43.02 39.98 1udw s PHE 154 CO 0.02 -0.50 0.50 0.08 1.83 0.00 0.00 175.22 177.15 1udw s VAL 155 N 0.77 5.07 -0.27 3.12 1.01 0.76 0.47 120.40 131.33 1udw s VAL 155 Ca -0.10 0.80 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 1udw s VAL 155 Cb -0.16 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1udw s VAL 155 CO 0.01 0.07 0.06 -0.62 0.00 0.00 0.00 175.10 174.61 1udw s ASP 156 N 1.58 5.01 0.03 3.32 -1.08 -0.60 -4.34 116.67 120.59 1udw s ASP 156 Ca 0.20 -0.47 0.04 0.00 -0.52 0.00 0.00 52.55 51.80 1udw s ASP 156 Cb -0.16 -1.88 -0.02 0.00 -1.46 0.00 0.00 42.92 39.41 1udw s ASP 156 CO 0.10 -0.11 -0.12 -0.89 0.52 0.00 0.00 175.17 174.67 1udw s THR 157 N 1.54 0.91 0.38 1.71 2.01 -1.26 -1.32 115.64 119.60 1udw s THR 157 Ca 0.05 -0.85 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 1udw s THR 157 Cb -0.16 -0.83 -0.12 0.00 0.01 0.00 0.00 72.50 71.40 1udw s THR 157 CO 0.02 -0.01 1.00 0.47 -0.69 0.00 0.00 174.62 175.40 1udw n ASP 158 N 2.07 1.23 -0.16 3.53 8.00 -1.26 -4.79 116.55 125.17 1udw n ASP 158 Ca -0.18 1.08 -0.08 0.00 0.71 0.00 0.00 54.79 56.33 1udw n ASP 158 Cb 0.55 -1.33 0.01 0.00 -0.02 0.00 0.00 41.12 40.34 1udw n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1udw h ALA 159 N 1.69 0.61 0.00 2.24 0.00 -1.99 -1.55 119.26 120.26 1udw h ALA 159 Ca -0.43 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1udw h ALA 159 Cb 1.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1udw h ALA 159 CO 0.58 0.13 -0.24 0.38 0.00 0.00 0.00 179.25 180.10 1udw h ASP 160 N 0.63 0.00 -0.33 0.00 2.03 -1.99 0.13 116.42 116.89 1udw h ASP 160 Ca 0.17 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.30 1udw h ASP 160 Cb 0.04 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.54 1udw h ASP 160 CO -0.03 0.24 -0.46 0.74 -1.03 0.00 0.00 179.24 178.70 1udw h THR 161 N 0.00 1.27 -0.06 1.15 2.02 -1.84 -2.33 112.91 113.13 1udw h THR 161 Ca -0.00 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 1udw h THR 161 Cb 0.50 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1udw h THR 161 CO 0.03 0.54 -0.01 0.03 0.37 0.00 0.00 175.52 176.48 1udw h ARG 162 N 0.69 0.11 -0.32 6.66 3.08 -0.53 -2.84 114.38 121.23 1udw h ARG 162 Ca 0.03 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1udw h ARG 162 Cb 1.07 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.06 1udw h ARG 162 CO 0.11 0.45 -0.03 1.25 -1.07 0.00 0.00 179.97 180.68 1udw h LEU 163 N -0.23 -0.19 -0.89 3.04 6.46 -0.79 -0.45 115.31 122.25 1udw h LEU 163 Ca 0.01 0.08 0.19 0.00 -0.12 0.00 0.00 57.88 58.04 1udw h LEU 163 Cb 0.41 0.15 -0.11 0.00 -0.73 0.00 0.00 40.66 40.38 1udw h LEU 163 CO 0.01 -0.06 0.44 -1.28 -0.62 0.00 0.00 178.44 176.93 1udw h SER 164 N 0.06 0.47 -0.07 1.25 0.87 -1.39 0.40 113.55 115.15 1udw h SER 164 Ca 0.15 0.12 -0.19 0.00 -1.23 0.00 0.00 61.79 60.64 1udw h SER 164 Cb 0.22 0.06 0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1udw h SER 164 CO -0.28 0.12 -0.72 0.03 -0.53 0.00 0.00 176.83 175.45 1udw h ARG 165 N 0.53 0.60 -0.78 2.24 3.08 -1.07 -2.65 114.38 116.34 1udw h ARG 165 Ca 0.53 -0.56 0.09 0.00 0.07 0.00 0.00 59.98 60.11 1udw h ARG 165 Cb 0.89 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 31.00 1udw h ARG 165 CO -0.44 1.18 0.43 -0.09 -1.07 0.00 0.00 179.97 179.97 1udw h ARG 166 N 0.23 0.70 -0.25 0.04 9.65 -0.09 0.81 114.38 125.47 1udw h ARG 166 Ca -0.07 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.75 1udw h ARG 166 Cb 1.37 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.79 1udw h ARG 166 CO 0.14 0.46 0.07 0.28 2.80 0.00 0.00 179.97 183.73 1udw h VAL 167 N 0.72 1.20 -0.46 0.20 2.07 -0.92 0.95 116.25 120.01 1udw h VAL 167 Ca 0.38 -0.64 -0.14 0.00 0.82 0.00 0.00 66.70 67.11 1udw h VAL 167 Cb 0.36 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1udw h VAL 167 CO -0.25 0.21 -0.27 -0.07 0.02 0.00 0.00 177.57 177.21 1udw h LEU 168 N 0.24 1.02 -0.24 2.57 3.38 -1.08 -2.17 115.31 119.03 1udw h LEU 168 Ca 0.08 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1udw h LEU 168 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1udw h LEU 168 CO -0.00 1.22 -0.02 -0.09 0.09 0.00 0.00 178.44 179.64 1udw h ARG 169 N 0.84 0.43 -0.43 1.13 2.43 -0.80 -0.91 114.38 117.07 1udw h ARG 169 Ca 0.10 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1udw h ARG 169 Cb 0.86 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1udw h ARG 169 CO 0.08 0.63 0.21 -0.44 -1.51 0.00 0.00 179.97 178.93 1udw h ASP 170 N 0.20 0.56 -0.15 -3.80 5.19 -0.76 -0.15 116.42 117.51 1udw h ASP 170 Ca 0.07 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1udw h ASP 170 Cb 0.44 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1udw h ASP 170 CO 0.02 0.53 0.03 0.40 -3.12 0.00 0.00 179.24 177.09 1udw h ILE 171 N 0.55 1.22 0.00 0.35 2.04 -1.39 -2.52 117.51 117.75 1udw h ILE 171 Ca 0.15 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1udw h ILE 171 Cb 0.12 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1udw h ILE 171 CO -0.02 0.20 0.00 -0.24 0.00 0.00 0.00 178.15 178.10 1udw n SER 172 N -4.81 0.00 0.26 1.72 2.88 -0.35 -3.57 113.62 109.75 1udw n SER 172 Ca -0.05 0.18 0.12 0.00 -1.33 0.00 0.00 58.87 57.79 1udw n SER 172 Cb 0.17 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.35 1udw n SER 172 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1udw h GLU 173 N 0.00 0.00 -0.13 -1.46 5.08 -1.22 -3.27 114.58 113.58 1udw h GLU 173 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1udw h GLU 173 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1udw h GLU 173 CO 0.00 0.12 0.00 0.54 -1.00 0.00 0.00 179.01 178.67 1udw n ARG 174 N -3.76 2.42 -3.69 2.33 1.74 -1.07 -4.88 116.66 109.75 1udw n ARG 174 Ca -0.02 -2.27 -0.27 0.00 -0.77 0.00 0.00 57.85 54.52 1udw n ARG 174 Cb 0.22 -1.41 0.01 0.00 -1.02 0.00 0.00 32.46 30.26 1udw n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1udw n GLY 175 N -0.61 -0.99 3.27 -0.13 0.00 -0.97 -4.42 105.19 101.34 1udw n GLY 175 Ca 0.12 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.73 1udw n GLY 175 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1udw s ARG 176 N -4.30 1.26 0.11 1.61 0.52 -1.06 -5.00 118.95 112.09 1udw s ARG 176 Ca 0.09 -1.65 -0.07 0.00 -0.52 0.00 0.00 55.73 53.58 1udw s ARG 176 Cb -0.01 -0.21 -0.06 0.00 0.52 0.00 0.00 34.95 35.19 1udw s ARG 176 CO 0.89 -0.24 0.38 -0.51 0.02 0.00 0.00 175.30 175.83 1udw s ASP 177 N -3.24 6.54 0.13 0.23 1.01 -1.26 -4.36 116.67 115.72 1udw s ASP 177 Ca 0.32 0.65 -0.27 0.00 0.71 0.00 0.00 52.55 53.96 1udw s ASP 177 Cb 0.07 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 1udw s ASP 177 CO 0.09 0.10 1.60 0.25 0.21 0.00 0.00 175.17 177.43 1udw h LEU 178 N 3.19 -1.10 -1.66 1.23 7.12 -1.99 -0.90 115.31 121.20 1udw h LEU 178 Ca -0.47 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 57.67 1udw h LEU 178 Cb 1.18 0.46 -0.01 0.00 -0.53 0.00 0.00 40.66 41.75 1udw h LEU 178 CO 0.70 -0.39 0.04 -0.33 -0.13 0.00 0.00 178.44 178.34 1udw h GLU 179 N -0.44 0.26 -0.29 1.25 5.08 -2.00 -2.21 114.58 116.23 1udw h GLU 179 Ca 0.09 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 1udw h GLU 179 Cb 0.58 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1udw h GLU 179 CO -0.36 0.24 -0.05 0.37 -1.00 0.00 0.00 179.01 178.21 1udw h GLN 180 N 0.26 0.54 0.21 2.33 4.15 -1.72 -2.47 115.11 118.41 1udw h GLN 180 Ca 0.06 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1udw h GLN 180 Cb 0.11 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 1udw h GLN 180 CO -0.00 0.73 -0.12 0.82 -1.93 0.00 0.00 178.83 178.33 1udw h ILE 181 N 0.31 0.76 -0.83 2.39 2.04 -0.73 -0.87 117.51 120.58 1udw h ILE 181 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1udw h ILE 181 Cb 0.52 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1udw h ILE 181 CO 0.03 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.56 1udw h LEU 182 N -0.31 1.03 -0.38 1.44 3.38 -1.46 0.87 115.31 119.89 1udw h LEU 182 Ca -0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1udw h LEU 182 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1udw h LEU 182 CO 0.03 0.83 0.05 -1.28 0.09 0.00 0.00 178.44 178.16 1udw h SER 183 N 1.16 0.62 -0.42 -0.43 0.87 -1.30 0.35 113.55 114.40 1udw h SER 183 Ca 0.29 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1udw h SER 183 Cb 0.03 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1udw h SER 183 CO -0.05 0.74 0.06 -0.61 -0.53 0.00 0.00 176.83 176.43 1udw h GLN 184 N 0.48 0.70 0.39 2.24 4.15 -0.82 -0.45 115.11 121.80 1udw h GLN 184 Ca 0.11 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1udw h GLN 184 Cb 0.39 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1udw h GLN 184 CO 0.01 0.74 -0.20 -0.92 -1.93 0.00 0.00 178.83 176.53 1udw h TYR 185 N 0.55 -0.53 0.00 3.99 3.20 -0.70 0.34 116.97 123.82 1udw h TYR 185 Ca 0.12 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1udw h TYR 185 Cb 0.39 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 1udw h TYR 185 CO 0.03 -0.32 -0.19 0.82 -1.64 0.00 0.00 178.16 176.85 1udw h ILE 186 N -0.55 0.74 0.05 1.81 1.08 -0.88 -1.24 117.51 118.52 1udw h ILE 186 Ca -0.05 -0.79 -0.35 0.00 -0.39 0.00 0.00 64.86 63.28 1udw h ILE 186 Cb 0.43 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1udw h ILE 186 CO 0.08 0.19 -2.08 0.41 -0.69 0.00 0.00 178.15 176.05 1udw n THR 187 N -3.73 1.63 0.01 -0.27 -1.04 -0.18 -4.70 114.28 106.00 1udw n THR 187 Ca -0.02 -0.70 -0.00 0.00 -2.04 0.00 0.00 64.05 61.30 1udw n THR 187 Cb 0.30 -1.35 -0.00 0.00 -1.82 0.00 0.00 70.33 67.46 1udw n THR 187 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1udw n PHE 188 N -3.25 0.00 0.28 -1.42 3.72 0.12 -4.72 117.46 112.19 1udw n PHE 188 Ca -0.32 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 56.90 1udw n PHE 188 Cb 1.05 -0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.49 1udw n PHE 188 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1udw h VAL 189 N -0.00 0.00 -0.04 -4.37 2.07 -1.20 0.07 116.25 112.78 1udw h VAL 189 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1udw h VAL 189 Cb 0.70 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1udw h VAL 189 CO -0.00 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.05 1udw h LYS 190 N -0.98 -0.05 -0.93 1.57 3.64 -1.53 0.65 116.57 118.94 1udw h LYS 190 Ca -0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1udw h LYS 190 Cb 0.86 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1udw h LYS 190 CO -0.08 -0.04 0.55 -1.35 -2.27 0.00 0.00 179.45 176.26 1udw h PRO 191 N -0.06 1.27 -0.29 1.90 0.11 -1.78 -2.24 132.00 130.90 1udw h PRO 191 Ca 0.03 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 1udw h PRO 191 Cb 0.10 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1udw h PRO 191 CO -0.08 0.89 -0.20 0.00 -0.21 0.00 0.00 178.00 178.41 1udw h ALA 192 N 1.30 1.10 -0.14 -0.75 0.00 -0.70 -1.82 119.26 118.25 1udw h ALA 192 Ca 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1udw h ALA 192 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1udw h ALA 192 CO -0.06 0.56 0.08 0.35 0.00 0.00 0.00 179.25 180.17 1udw h PHE 193 N 0.49 0.20 -0.04 0.00 3.57 -0.35 0.54 116.94 121.35 1udw h PHE 193 Ca 0.08 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1udw h PHE 193 Cb 0.62 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1udw h PHE 193 CO 0.02 0.20 -0.40 0.93 -2.23 0.00 0.00 178.31 176.84 1udw h GLU 194 N 0.13 0.08 0.13 1.11 5.08 -1.30 0.21 114.58 120.02 1udw h GLU 194 Ca 0.05 -0.03 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 1udw h GLU 194 Cb 0.07 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1udw h GLU 194 CO -0.01 0.47 -1.91 1.49 -1.00 0.00 0.00 179.01 178.05 1udw h GLU 195 N 0.07 0.27 0.00 2.33 4.81 -1.02 -3.41 114.58 117.62 1udw h GLU 195 Ca 0.00 -0.46 -0.17 0.00 -0.13 0.00 0.00 59.36 58.61 1udw h GLU 195 Cb 0.74 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1udw h GLU 195 CO 0.06 1.17 -1.62 1.19 -0.73 0.00 0.00 179.01 179.08 1udw n PHE 196 N -3.46 0.00 0.00 0.92 3.72 0.19 -4.72 117.46 114.10 1udw n PHE 196 Ca -0.29 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1udw n PHE 196 Cb 1.05 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1udw n PHE 196 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1udw h LEU 198 N 0.00 -0.58 -1.68 0.00 6.46 -0.85 0.19 115.31 118.85 1udw h LEU 198 Ca 0.00 0.26 0.19 0.00 -0.12 0.00 0.00 57.88 58.21 1udw h LEU 198 Cb 0.00 0.48 -0.05 0.00 -0.73 0.00 0.00 40.66 40.36 1udw h LEU 198 CO 0.00 -0.30 0.55 -0.65 -0.62 0.00 0.00 178.44 177.42 1udw h PRO 199 N 0.03 0.28 0.00 5.25 0.11 -1.78 -0.12 132.00 135.76 1udw h PRO 199 Ca 0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1udw h PRO 199 Cb 0.93 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1udw h PRO 199 CO -0.88 0.18 0.00 0.25 -0.21 0.00 0.00 178.00 177.35 1udw n THR 200 N -4.44 1.01 0.16 -1.15 -2.24 0.65 -2.73 114.28 105.55 1udw n THR 200 Ca 0.16 0.29 0.08 0.00 -2.27 0.00 0.00 64.05 62.31 1udw n THR 200 Cb 0.68 -1.15 0.58 0.00 -2.10 0.00 0.00 70.33 68.34 1udw n THR 200 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1udw h LYS 201 N 0.00 0.16 0.00 -0.78 3.64 -1.10 -1.16 116.57 117.32 1udw h LYS 201 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1udw h LYS 201 Cb 0.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1udw h LYS 201 CO 0.00 0.11 0.02 0.36 -2.27 0.00 0.00 179.45 177.67 1udw n LYS 202 N -4.51 0.03 0.04 1.90 2.85 -1.10 -1.39 118.16 115.98 1udw n LYS 202 Ca -0.00 0.52 0.11 0.00 -1.05 0.00 0.00 58.31 57.89 1udw n LYS 202 Cb 0.12 -1.63 -0.07 0.00 -0.65 0.00 0.00 35.03 32.80 1udw n LYS 202 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1udw n TYR 203 N -1.66 0.42 -1.74 5.58 4.01 -0.44 -4.97 117.16 118.35 1udw n TYR 203 Ca -0.00 0.12 -0.40 0.00 -0.16 0.00 0.00 57.90 57.46 1udw n TYR 203 Cb 0.03 -0.66 0.02 0.00 -0.31 0.00 0.00 39.34 38.43 1udw n TYR 203 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1udw n ALA 204 N -2.14 1.73 0.10 -0.72 0.00 -0.49 -4.85 120.51 114.14 1udw n ALA 204 Ca -0.01 0.21 0.08 0.00 0.00 0.00 0.00 53.44 53.72 1udw n ALA 204 Cb 0.54 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.63 1udw n ALA 204 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1udw h ASP 205 N 1.99 0.00 -3.03 0.00 3.32 -0.51 -3.45 116.42 114.73 1udw h ASP 205 Ca -0.50 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.40 1udw h ASP 205 Cb 1.29 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.55 1udw h ASP 205 CO 0.59 0.19 -0.39 -0.69 -1.72 0.00 0.00 179.24 177.22 1udw s VAL 206 N -3.20 -0.23 -0.18 -1.35 1.01 -1.13 -5.04 120.40 110.28 1udw s VAL 206 Ca -0.00 0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.05 1udw s VAL 206 Cb 0.09 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1udw s VAL 206 CO 0.78 0.06 0.10 -0.63 0.00 0.00 0.00 175.10 175.41 1udw s ILE 207 N 1.81 5.15 -0.54 2.22 1.01 -1.26 -1.28 121.20 128.31 1udw s ILE 207 Ca -0.06 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.66 1udw s ILE 207 Cb -0.10 -3.32 0.14 0.00 0.01 0.00 0.00 42.46 39.19 1udw s ILE 207 CO -0.11 0.48 0.35 -0.63 0.00 0.00 0.00 174.94 175.03 1udw s ILE 208 N 0.12 3.53 0.52 2.92 1.01 0.17 -4.92 121.20 124.54 1udw s ILE 208 Ca 0.07 -2.63 -0.21 0.00 0.00 0.00 0.00 60.65 57.88 1udw s ILE 208 Cb -0.12 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 1udw s ILE 208 CO -0.00 -0.81 1.18 -2.16 0.00 0.00 0.00 174.94 173.15 1udw s PRO 209 N 0.38 3.42 0.00 2.79 0.04 -1.26 -1.55 135.00 138.82 1udw s PRO 209 Ca 0.14 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1udw s PRO 209 Cb -0.21 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1udw s PRO 209 CO -0.04 -0.84 0.00 0.54 0.04 0.00 0.00 177.00 176.71 1udw n ARG 210 N -1.00 -0.27 0.00 4.56 1.74 -0.44 -4.58 116.66 116.67 1udw n ARG 210 Ca 0.10 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1udw n ARG 210 Cb 0.49 -3.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.24 1udw n ARG 210 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1udw n GLY 211 N -1.71 2.82 0.38 -0.13 0.00 -1.12 -3.04 105.19 102.39 1udw n GLY 211 Ca 0.00 -0.37 0.20 0.00 0.00 0.00 0.00 46.02 45.85 1udw n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1udw h ALA 212 N -0.95 2.18 0.00 4.61 0.00 -1.86 -0.32 119.26 122.91 1udw h ALA 212 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1udw h ALA 212 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1udw h ALA 212 CO 0.00 -0.64 0.00 -0.44 0.00 0.00 0.00 179.25 178.17 1udw h ASP 213 N 0.00 0.00 -0.82 0.00 3.32 -1.90 -3.35 116.42 113.68 1udw h ASP 213 Ca 0.20 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 56.52 1udw h ASP 213 Cb 1.04 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.48 1udw h ASP 213 CO -0.00 0.00 2.47 -3.20 -1.72 0.00 0.00 179.24 176.79 1udw n ASN 214 N -2.61 4.58 0.23 6.45 2.85 -0.13 -4.78 115.26 121.85 1udw n ASN 214 Ca 0.01 -2.99 0.12 0.00 -0.11 0.00 0.00 54.58 51.61 1udw n ASN 214 Cb 0.23 -1.56 0.71 0.00 1.24 0.00 0.00 39.78 40.40 1udw n ASN 214 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1udw h LEU 215 N 8.94 0.00 -0.26 1.20 3.38 -1.84 -2.08 115.31 124.65 1udw h LEU 215 Ca 0.47 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 1udw h LEU 215 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1udw h LEU 215 CO 1.72 0.00 -0.07 0.58 0.09 0.00 0.00 178.44 180.76 1udw h VAL 216 N 0.00 1.29 -0.40 1.22 2.07 -1.95 0.17 116.25 118.65 1udw h VAL 216 Ca 0.04 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 1udw h VAL 216 Cb 0.18 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1udw h VAL 216 CO -0.00 0.34 0.05 0.00 0.02 0.00 0.00 177.57 177.98 1udw h ALA 217 N 0.76 0.53 -0.41 1.67 0.00 -1.84 -2.11 119.26 117.86 1udw h ALA 217 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1udw h ALA 217 Cb 0.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1udw h ALA 217 CO 0.03 0.25 -0.05 0.82 0.00 0.00 0.00 179.25 180.30 1udw h ILE 218 N 0.51 1.24 -0.50 0.00 2.04 -1.33 -2.20 117.51 117.27 1udw h ILE 218 Ca 0.12 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 1udw h ILE 218 Cb 0.39 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1udw h ILE 218 CO 0.01 0.35 0.13 0.78 0.00 0.00 0.00 178.15 179.42 1udw h ASN 219 N 0.64 0.75 -0.62 1.72 2.35 -0.44 -0.17 115.58 119.80 1udw h ASN 219 Ca 0.12 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1udw h ASN 219 Cb 0.47 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1udw h ASN 219 CO 0.02 0.77 0.35 -0.07 -1.65 0.00 0.00 177.43 176.86 1udw h LEU 220 N 0.68 0.79 0.28 1.61 3.38 -1.16 -1.32 115.31 119.57 1udw h LEU 220 Ca 0.16 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1udw h LEU 220 Cb 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1udw h LEU 220 CO -0.00 0.64 -0.14 0.40 0.09 0.00 0.00 178.44 179.43 1udw h ILE 221 N 0.90 0.73 -0.23 1.22 2.04 -0.83 -0.66 117.51 120.69 1udw h ILE 221 Ca 0.23 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1udw h ILE 221 Cb 0.03 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1udw h ILE 221 CO -0.04 0.12 0.15 -0.37 0.00 0.00 0.00 178.15 178.01 1udw h VAL 222 N -0.73 1.06 -0.40 1.67 -1.51 -0.92 0.60 116.25 116.01 1udw h VAL 222 Ca -0.04 -0.12 -0.12 0.00 -1.23 0.00 0.00 66.70 65.19 1udw h VAL 222 Cb 0.49 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 1udw h VAL 222 CO 0.06 0.06 -0.25 -0.61 -1.23 0.00 0.00 177.57 175.61 1udw h GLN 223 N 0.31 0.83 -0.50 5.19 5.75 -1.13 -0.87 115.11 124.68 1udw h GLN 223 Ca 0.08 -0.35 -0.10 0.00 -0.15 0.00 0.00 58.65 58.13 1udw h GLN 223 Cb -0.03 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 1udw h GLN 223 CO -0.02 0.98 -0.08 1.25 -2.65 0.00 0.00 178.83 178.32 1udw h HIS 224 N 0.71 1.04 -0.49 3.99 2.76 0.57 -2.04 115.15 121.70 1udw h HIS 224 Ca 0.09 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 58.01 1udw h HIS 224 Cb 0.78 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1udw h HIS 224 CO 0.04 0.99 0.15 0.82 -1.30 0.00 0.00 177.93 178.63 1udw h ILE 225 N 0.79 1.23 -0.51 6.26 2.04 -0.77 -2.29 117.51 124.27 1udw h ILE 225 Ca 0.13 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1udw h ILE 225 Cb 0.62 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1udw h ILE 225 CO 0.04 0.28 0.33 1.56 0.00 0.00 0.00 178.15 180.36 1udw h GLN 226 N 0.66 0.68 -0.70 2.37 4.20 -1.02 -2.08 115.11 119.21 1udw h GLN 226 Ca 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1udw h GLN 226 Cb 0.27 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1udw h GLN 226 CO -0.00 0.47 0.38 -0.44 -0.67 0.00 0.00 178.83 178.56 1udw h ASP 227 N 0.69 0.87 0.44 1.46 3.32 -1.19 -1.99 116.42 120.02 1udw h ASP 227 Ca 0.19 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1udw h ASP 227 Cb -0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1udw h ASP 227 CO -0.04 0.70 -0.54 0.40 -1.72 0.00 0.00 179.24 178.05 1udw h ILE 228 N 0.98 1.37 -0.10 0.35 2.04 -1.11 -2.54 117.51 118.50 1udw h ILE 228 Ca 0.25 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.28 1udw h ILE 228 Cb 0.03 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1udw h ILE 228 CO -0.04 0.53 0.00 0.18 0.00 0.00 0.00 178.15 178.82 1udw n LEU 229 N -3.91 0.73 0.00 1.44 4.32 -0.77 -5.12 117.00 113.69 1udw n LEU 229 Ca -0.02 -0.37 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 1udw n LEU 229 Cb 0.56 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1udw n LEU 229 CO 0.42 0.17 0.04 0.59 -1.22 0.00 0.00 177.39 177.39