#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpw s PHE 2 N 0.00 0.34 -0.12 1.61 0.08 -0.80 -5.05 117.98 114.04 1wpw s PHE 2 Ca 0.00 -0.10 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 1wpw s PHE 2 Cb 0.00 -0.22 -0.02 0.00 -0.57 0.00 0.00 43.02 42.21 1wpw s PHE 2 CO 0.00 -0.01 -0.09 0.99 -0.10 0.00 0.00 175.22 176.00 1wpw s THR 3 N -0.19 3.40 -0.13 0.64 2.01 -1.26 -1.63 115.64 118.47 1wpw s THR 3 Ca 0.00 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1wpw s THR 3 Cb -0.02 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 70.07 1wpw s THR 3 CO -0.00 0.54 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 1wpw s VAL 4 N 0.04 1.87 -0.49 3.82 1.01 -0.19 -0.68 120.40 125.78 1wpw s VAL 4 Ca -0.03 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 1wpw s VAL 4 Cb -0.14 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1wpw s VAL 4 CO 0.04 0.51 1.09 0.00 0.00 0.00 0.00 175.10 176.74 1wpw s ALA 5 N 0.94 3.16 -0.19 5.51 0.00 -0.82 -1.12 121.76 129.24 1wpw s ALA 5 Ca -0.05 -0.61 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1wpw s ALA 5 Cb -0.15 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1wpw s ALA 5 CO -0.03 -2.26 0.36 -1.17 0.00 0.00 0.00 175.76 172.65 1wpw s LEU 6 N 4.33 4.17 -0.21 0.00 2.96 -1.12 -1.29 118.68 127.53 1wpw s LEU 6 Ca 0.44 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 1wpw s LEU 6 Cb -0.08 -2.45 0.04 0.00 0.50 0.00 0.00 46.19 44.20 1wpw s LEU 6 CO 0.30 -0.02 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.55 1wpw s ILE 7 N 1.08 1.86 0.17 6.68 1.01 -0.35 -0.59 121.20 131.06 1wpw s ILE 7 Ca 0.18 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1wpw s ILE 7 Cb -0.14 -1.88 0.05 0.00 0.01 0.00 0.00 42.46 40.50 1wpw s ILE 7 CO 0.07 0.21 1.62 1.56 0.00 0.00 0.00 174.94 178.40 1wpw h GLN 8 N 7.92 1.02 0.00 2.79 4.20 -1.89 0.01 115.11 129.16 1wpw h GLN 8 Ca -0.30 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.07 1wpw h GLN 8 Cb 1.09 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1wpw h GLN 8 CO 0.51 1.02 0.00 0.41 -0.67 0.00 0.00 178.83 180.10 1wpw n GLY 9 N -0.37 -0.28 1.52 3.46 0.00 -1.26 -3.28 105.19 104.98 1wpw n GLY 9 Ca 0.02 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1wpw n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wpw n ASP 10 N 0.44 2.52 0.00 1.61 8.00 -0.70 -4.34 116.55 124.08 1wpw n ASP 10 Ca 0.00 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1wpw n ASP 10 Cb 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1wpw n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wpw n GLY 11 N 2.45 2.39 0.20 0.44 0.00 -1.26 0.37 105.19 109.79 1wpw n GLY 11 Ca -0.08 0.38 0.13 0.00 0.00 0.00 0.00 46.02 46.45 1wpw n GLY 11 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wpw n ILE 12 N 0.00 0.04 0.33 -0.61 -5.35 -0.25 -4.25 119.36 109.26 1wpw n ILE 12 Ca 0.00 -0.11 -0.17 0.00 -0.27 0.00 0.00 62.75 62.19 1wpw n ILE 12 Cb 0.00 -0.08 -0.09 0.00 -1.74 0.00 0.00 39.64 37.73 1wpw n ILE 12 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1wpw h GLY 13 N 5.09 -1.00 0.14 3.28 0.00 -0.27 -1.98 103.07 108.31 1wpw h GLY 13 Ca 0.00 0.43 0.19 0.00 0.00 0.00 0.00 47.33 47.95 1wpw h GLY 13 CO 0.00 -0.35 0.61 -2.55 0.00 0.00 0.00 176.54 174.25 1wpw h PRO 14 N -0.92 0.71 0.34 4.80 0.11 -1.73 -0.76 132.00 134.55 1wpw h PRO 14 Ca -0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1wpw h PRO 14 Cb 0.75 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1wpw h PRO 14 CO 0.05 0.47 -0.16 0.93 -0.21 0.00 0.00 178.00 179.08 1wpw h GLU 15 N 0.73 -0.44 -0.18 1.05 5.08 -1.79 -2.49 114.58 116.53 1wpw h GLU 15 Ca 0.57 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 59.01 1wpw h GLU 15 Cb 0.94 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 1wpw h GLU 15 CO -0.36 -0.14 -0.45 0.82 -1.00 0.00 0.00 179.01 177.87 1wpw h ILE 16 N -1.00 0.10 0.29 3.13 1.08 -1.22 -2.40 117.51 117.48 1wpw h ILE 16 Ca -0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 1wpw h ILE 16 Cb 0.50 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 1wpw h ILE 16 CO 0.08 0.00 -0.14 0.58 -0.69 0.00 0.00 178.15 177.98 1wpw h VAL 17 N -0.48 0.75 -0.71 1.67 2.07 -1.26 -2.56 116.25 115.72 1wpw h VAL 17 Ca 0.08 -0.49 0.06 0.00 0.82 0.00 0.00 66.70 67.17 1wpw h VAL 17 Cb 0.63 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1wpw h VAL 17 CO -0.44 0.10 0.47 0.77 0.02 0.00 0.00 177.57 178.48 1wpw h SER 18 N -0.65 0.67 1.48 0.57 4.64 -1.47 -0.42 113.55 118.36 1wpw h SER 18 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1wpw h SER 18 Cb 0.46 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1wpw h SER 18 CO 0.06 0.44 0.00 0.11 -0.87 0.00 0.00 176.83 176.57 1wpw h LYS 19 N 0.76 0.00 -0.01 4.77 1.57 -1.43 -3.12 116.57 119.12 1wpw h LYS 19 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1wpw h LYS 19 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1wpw h LYS 19 CO -0.10 0.00 -0.15 0.43 -0.57 0.00 0.00 179.45 179.06 1wpw n SER 20 N -2.72 0.96 0.08 0.86 7.64 -0.18 -3.87 113.62 116.39 1wpw n SER 20 Ca 0.04 -0.96 -0.01 0.00 1.01 0.00 0.00 58.87 58.95 1wpw n SER 20 Cb 0.41 0.05 0.26 0.00 -1.01 0.00 0.00 64.21 63.92 1wpw n SER 20 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wpw h LYS 21 N 1.27 0.29 -0.42 1.43 1.57 -1.46 -1.37 116.57 117.88 1wpw h LYS 21 Ca 0.00 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1wpw h LYS 21 Cb 0.45 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 1wpw h LYS 21 CO 0.00 0.58 0.10 0.00 -0.57 0.00 0.00 179.45 179.55 1wpw h ARG 22 N 0.26 0.23 -0.19 3.15 3.08 -1.79 -0.55 114.38 118.57 1wpw h ARG 22 Ca 0.04 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1wpw h ARG 22 Cb 0.68 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1wpw h ARG 22 CO 0.05 0.15 -0.00 0.82 -1.07 0.00 0.00 179.97 179.92 1wpw h ILE 23 N 0.23 1.26 -0.19 2.04 2.04 -1.66 -1.47 117.51 119.76 1wpw h ILE 23 Ca 0.20 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1wpw h ILE 23 Cb 0.24 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1wpw h ILE 23 CO -0.25 0.26 0.17 -0.07 0.00 0.00 0.00 178.15 178.26 1wpw h LEU 24 N 0.09 0.00 0.08 1.44 4.07 -0.98 -2.73 115.31 117.28 1wpw h LEU 24 Ca 0.05 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.79 1wpw h LEU 24 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1wpw h LEU 24 CO 0.01 0.00 -1.12 0.00 -1.08 0.00 0.00 178.44 176.25 1wpw h ALA 25 N 1.84 0.14 -0.05 1.53 0.00 -0.91 -3.22 119.26 118.59 1wpw h ALA 25 Ca 0.09 -0.98 0.01 0.00 0.00 0.00 0.00 54.91 54.04 1wpw h ALA 25 Cb 0.43 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wpw h ALA 25 CO -0.00 0.64 0.04 -0.22 0.00 0.00 0.00 179.25 179.71 1wpw h LYS 26 N -0.53 0.00 0.03 0.00 3.64 -1.09 -2.24 116.57 116.38 1wpw h LYS 26 Ca -0.25 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.88 1wpw h LYS 26 Cb 1.56 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.35 1wpw h LYS 26 CO 0.02 0.00 -1.26 0.82 -2.27 0.00 0.00 179.45 176.75 1wpw h ILE 27 N 0.00 1.41 0.00 2.00 2.04 -1.60 -1.74 117.51 119.63 1wpw h ILE 27 Ca 0.02 -3.14 -0.06 0.00 1.00 0.00 0.00 64.86 62.69 1wpw h ILE 27 Cb 0.11 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1wpw h ILE 27 CO -0.00 0.83 -0.27 0.78 0.00 0.00 0.00 178.15 179.49 1wpw h ASN 28 N 0.02 0.00 0.00 1.72 -0.26 -1.41 -1.05 115.58 114.60 1wpw h ASN 28 Ca -0.12 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.62 1wpw h ASN 28 Cb 1.88 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.14 1wpw h ASN 28 CO 0.13 0.27 -1.68 -1.84 -1.06 0.00 0.00 177.43 173.24 1wpw n GLU 29 N -3.71 0.61 0.04 0.81 0.28 -1.13 -0.80 120.64 116.73 1wpw n GLU 29 Ca -0.01 -0.14 -0.07 0.00 -0.16 0.00 0.00 57.16 56.77 1wpw n GLU 29 Cb 0.38 -1.46 -0.13 0.00 1.43 0.00 0.00 31.44 31.66 1wpw n GLU 29 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1wpw h LEU 30 N 0.00 0.00 -3.00 -1.84 5.85 -1.05 -3.34 115.31 111.93 1wpw h LEU 30 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wpw h LEU 30 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1wpw h LEU 30 CO 0.00 1.00 0.00 -1.22 -0.34 0.00 0.00 178.44 177.88 1wpw n TYR 31 N -3.27 0.07 -3.80 1.25 4.01 -0.42 -5.01 117.16 109.99 1wpw n TYR 31 Ca -0.05 -0.71 -0.33 0.00 -0.16 0.00 0.00 57.90 56.65 1wpw n TYR 31 Cb 0.97 -0.10 0.03 0.00 -0.31 0.00 0.00 39.34 39.93 1wpw n TYR 31 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1wpw n SER 32 N -0.82 -4.32 -4.62 7.72 7.64 -1.05 -4.93 113.62 113.25 1wpw n SER 32 Ca 0.08 -1.07 -0.39 0.00 1.01 0.00 0.00 58.87 58.50 1wpw n SER 32 Cb 0.44 -3.01 -0.09 0.00 -1.01 0.00 0.00 64.21 60.54 1wpw n SER 32 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wpw s LEU 33 N -6.73 4.06 -1.40 -3.43 1.02 0.02 -5.00 118.68 107.21 1wpw s LEU 33 Ca 0.41 0.27 -0.15 0.00 0.02 0.00 0.00 54.13 54.68 1wpw s LEU 33 Cb -0.16 -2.37 0.06 0.00 0.02 0.00 0.00 46.19 43.73 1wpw s LEU 33 CO 0.89 -0.13 2.07 -0.81 0.02 0.00 0.00 176.35 178.39 1wpw n PRO 34 N 5.10 2.99 -5.00 1.29 -0.04 -1.26 -4.81 135.00 133.28 1wpw n PRO 34 Ca -0.10 -2.85 -0.32 0.00 -0.04 0.00 0.00 63.50 60.19 1wpw n PRO 34 Cb 0.51 -3.32 -0.17 0.00 -0.04 0.00 0.00 33.50 30.49 1wpw n PRO 34 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wpw s ILE 35 N 3.25 2.05 -0.23 0.52 1.01 -1.26 -1.91 121.20 124.64 1wpw s ILE 35 Ca 0.48 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1wpw s ILE 35 Cb 0.11 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1wpw s ILE 35 CO -0.04 0.55 0.06 -0.70 0.00 0.00 0.00 174.94 174.82 1wpw s GLU 36 N 0.53 3.73 -0.25 2.79 2.56 -0.65 -5.00 118.70 122.41 1wpw s GLU 36 Ca -0.14 -0.45 -0.08 0.00 0.00 0.00 0.00 54.97 54.30 1wpw s GLU 36 Cb -0.17 -3.28 -0.04 0.00 2.00 0.00 0.00 34.13 32.64 1wpw s GLU 36 CO 0.05 -0.07 0.10 0.71 -0.56 0.00 0.00 175.26 175.49 1wpw s TYR 37 N 1.29 3.14 -0.31 5.30 2.02 -1.26 -1.02 117.35 126.50 1wpw s TYR 37 Ca 0.05 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1wpw s TYR 37 Cb -0.15 -2.25 0.09 0.00 -0.40 0.00 0.00 41.96 39.25 1wpw s TYR 37 CO 0.03 -0.25 0.03 -1.50 -1.57 0.00 0.00 175.55 172.30 1wpw s ILE 38 N 1.50 1.75 0.24 2.71 1.10 -0.27 -4.98 121.20 123.24 1wpw s ILE 38 Ca 0.06 -1.82 -0.30 0.00 -0.51 0.00 0.00 60.65 58.08 1wpw s ILE 38 Cb -0.15 -2.21 -0.09 0.00 0.15 0.00 0.00 42.46 40.16 1wpw s ILE 38 CO 0.05 -0.48 1.22 -1.83 -2.11 0.00 0.00 174.94 171.79 1wpw s GLU 39 N 1.21 4.48 0.24 3.50 -1.05 -1.26 -2.77 118.70 123.04 1wpw s GLU 39 Ca 0.06 1.96 0.11 0.00 -0.15 0.00 0.00 54.97 56.96 1wpw s GLU 39 Cb -0.19 -3.19 -0.05 0.00 -0.44 0.00 0.00 34.13 30.27 1wpw s GLU 39 CO -0.12 -0.07 -0.20 0.14 0.95 0.00 0.00 175.26 175.96 1wpw s VAL 40 N -0.47 2.54 -0.10 1.83 -7.23 0.24 -4.86 120.40 112.35 1wpw s VAL 40 Ca 0.51 -2.19 -0.13 0.00 -1.81 0.00 0.00 61.98 58.35 1wpw s VAL 40 Cb -0.35 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 1wpw s VAL 40 CO 0.41 -0.28 0.32 -0.70 -0.31 0.00 0.00 175.10 174.55 1wpw s GLU 41 N -3.17 4.02 -0.14 4.82 2.56 -1.26 -4.30 118.70 121.22 1wpw s GLU 41 Ca 0.26 0.20 -0.29 0.00 0.00 0.00 0.00 54.97 55.14 1wpw s GLU 41 Cb -0.06 -3.32 0.09 0.00 2.00 0.00 0.00 34.13 32.84 1wpw s GLU 41 CO 0.13 0.47 0.80 0.00 -0.56 0.00 0.00 175.26 176.11 1wpw s ALA 42 N -0.28 -1.83 0.00 6.30 0.00 -1.26 -4.63 121.76 120.05 1wpw s ALA 42 Ca 0.20 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1wpw s ALA 42 Cb -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1wpw s ALA 42 CO 0.08 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1wpw n GLY 43 N 1.34 0.55 0.25 0.00 0.00 -0.98 -4.15 105.19 102.20 1wpw n GLY 43 Ca -0.15 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.63 1wpw n GLY 43 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wpw h ASP 44 N 0.00 0.44 0.38 1.61 5.19 -1.92 -2.33 116.42 119.79 1wpw h ASP 44 Ca 0.00 -0.11 -0.11 0.00 -0.62 0.00 0.00 57.03 56.19 1wpw h ASP 44 Cb 0.00 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1wpw h ASP 44 CO 0.00 0.59 -0.48 -0.09 -3.12 0.00 0.00 179.24 176.14 1wpw h ARG 45 N 0.43 0.12 0.00 3.56 2.43 -1.91 -2.56 114.38 116.45 1wpw h ARG 45 Ca 0.08 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1wpw h ARG 45 Cb 0.46 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1wpw h ARG 45 CO 0.03 0.58 -0.56 0.00 -1.51 0.00 0.00 179.97 178.50 1wpw h ALA 46 N 1.41 0.66 0.00 2.80 0.00 -1.77 -2.25 119.26 120.10 1wpw h ALA 46 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1wpw h ALA 46 Cb 0.89 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1wpw h ALA 46 CO 0.07 0.70 -0.26 1.25 0.00 0.00 0.00 179.25 181.01 1wpw h LEU 47 N 0.00 0.00 0.00 0.00 5.85 -1.02 -2.18 115.31 117.96 1wpw h LEU 47 Ca -0.01 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 1wpw h LEU 47 Cb 1.40 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1wpw h LEU 47 CO 0.07 0.26 -1.89 0.00 -0.34 0.00 0.00 178.44 176.55 1wpw n ALA 48 N -2.26 2.25 -0.07 1.25 0.00 -1.09 -4.38 120.51 116.21 1wpw n ALA 48 Ca -0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.59 1wpw n ALA 48 Cb 0.43 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 1wpw n ALA 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wpw h ARG 49 N 0.00 0.00 0.00 0.00 2.47 -1.47 -3.48 114.38 111.91 1wpw h ARG 49 Ca -0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1wpw h ARG 49 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.77 1wpw h ARG 49 CO 0.02 0.79 0.00 0.66 0.56 0.00 0.00 179.97 182.00 1wpw n TYR 50 N -4.60 0.00 0.01 3.04 4.01 -0.82 -5.07 117.16 113.73 1wpw n TYR 50 Ca -0.13 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.64 1wpw n TYR 50 Cb 0.44 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.43 1wpw n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wpw n GLY 51 N 5.00 -0.22 3.47 2.72 0.00 -1.26 -4.66 105.19 110.24 1wpw n GLY 51 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1wpw n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wpw s GLU 52 N -2.35 1.70 0.32 1.61 2.02 -1.26 -4.90 118.70 115.84 1wpw s GLU 52 Ca -0.02 -1.39 0.08 0.00 0.02 0.00 0.00 54.97 53.66 1wpw s GLU 52 Cb 0.04 -1.98 0.55 0.00 0.10 0.00 0.00 34.13 32.84 1wpw s GLU 52 CO 0.23 0.43 1.76 0.00 0.02 0.00 0.00 175.26 177.70 1wpw h ALA 53 N 3.25 1.22 -2.76 5.21 0.00 -1.82 -3.25 119.26 121.12 1wpw h ALA 53 Ca -0.47 -0.36 -0.61 0.00 0.00 0.00 0.00 54.91 53.47 1wpw h ALA 53 Cb 1.20 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 1wpw h ALA 53 CO 0.49 0.53 -0.73 -0.11 0.00 0.00 0.00 179.25 179.42 1wpw n LEU 54 N -4.08 1.72 -4.48 0.00 7.94 -1.26 -2.31 117.00 114.53 1wpw n LEU 54 Ca -0.01 -4.91 -0.37 0.00 -1.11 0.00 0.00 56.01 49.60 1wpw n LEU 54 Cb 0.43 -0.25 0.05 0.00 0.53 0.00 0.00 43.42 44.18 1wpw n LEU 54 CO 0.41 1.82 0.11 -2.65 -1.11 0.00 0.00 177.39 175.96 1wpw n PRO 55 N 2.21 0.48 -0.33 1.96 -0.02 -1.26 -4.74 135.00 133.29 1wpw n PRO 55 Ca 0.24 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1wpw n PRO 55 Cb 0.40 -1.79 0.17 0.00 -0.02 0.00 0.00 33.50 32.26 1wpw n PRO 55 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1wpw h LYS 56 N 0.06 1.18 0.00 -0.52 -0.00 -1.99 -1.04 116.57 114.26 1wpw h LYS 56 Ca -0.46 -0.07 -0.03 0.00 -0.00 0.00 0.00 60.65 60.09 1wpw h LYS 56 Cb 1.38 -0.27 -0.00 0.00 -0.00 0.00 0.00 32.23 33.34 1wpw h LYS 56 CO 0.46 0.78 -0.14 -0.44 -0.00 0.00 0.00 179.45 180.11 1wpw h ASP 57 N 1.22 0.00 -0.00 7.07 5.19 -2.00 -1.47 116.42 126.43 1wpw h ASP 57 Ca 0.36 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 1wpw h ASP 57 Cb -0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1wpw h ASP 57 CO -0.10 0.14 -0.10 0.28 -3.12 0.00 0.00 179.24 176.34 1wpw h SER 58 N 0.00 0.09 -0.71 6.45 0.02 -1.53 -3.25 113.55 114.62 1wpw h SER 58 Ca -0.00 -0.77 0.06 0.00 -0.84 0.00 0.00 61.79 60.24 1wpw h SER 58 Cb 0.36 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1wpw h SER 58 CO 0.02 0.85 0.47 -0.07 -1.14 0.00 0.00 176.83 176.95 1wpw h LEU 59 N -0.66 0.66 -0.61 5.07 3.38 -1.16 -1.76 115.31 120.23 1wpw h LEU 59 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1wpw h LEU 59 Cb 0.86 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1wpw h LEU 59 CO 0.02 0.43 0.38 0.50 0.09 0.00 0.00 178.44 179.86 1wpw h LYS 60 N 0.76 0.74 -0.02 1.13 3.64 -1.38 -1.98 116.57 119.45 1wpw h LYS 60 Ca 0.30 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.40 1wpw h LYS 60 Cb 0.22 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1wpw h LYS 60 CO -0.10 0.49 -0.96 0.82 -2.27 0.00 0.00 179.45 177.43 1wpw h ILE 61 N 0.76 1.33 0.00 2.00 2.04 -1.45 -3.19 117.51 118.99 1wpw h ILE 61 Ca 0.24 -2.29 -0.06 0.00 1.00 0.00 0.00 64.86 63.75 1wpw h ILE 61 Cb -0.00 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1wpw h ILE 61 CO -0.09 0.70 -0.31 0.40 0.00 0.00 0.00 178.15 178.85 1wpw h ILE 62 N 0.34 0.91 -0.76 -0.67 2.04 -1.29 -2.41 117.51 115.67 1wpw h ILE 62 Ca -0.10 -1.20 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 1wpw h ILE 62 Cb 1.59 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 39.35 1wpw h ILE 62 CO 0.18 0.30 0.26 -0.78 0.00 0.00 0.00 178.15 178.11 1wpw h ASP 63 N 0.00 1.09 1.17 1.72 3.58 -1.35 -2.97 116.42 119.66 1wpw h ASP 63 Ca -0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1wpw h ASP 63 Cb 0.68 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1wpw h ASP 63 CO 0.04 1.00 -0.44 0.11 -2.88 0.00 0.00 179.24 177.07 1wpw h LYS 64 N 1.13 0.00 -6.96 0.28 6.56 -1.54 -3.47 116.57 112.57 1wpw h LYS 64 Ca 0.25 0.00 -0.47 0.00 -1.06 0.00 0.00 60.65 59.36 1wpw h LYS 64 Cb 0.28 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.95 1wpw h LYS 64 CO -0.01 0.00 0.39 0.00 -2.06 0.00 0.00 179.45 177.77 1wpw s ALA 65 N -3.18 3.10 -0.13 3.86 0.00 -0.93 -4.91 121.76 119.57 1wpw s ALA 65 Ca 0.07 0.63 -0.28 0.00 0.00 0.00 0.00 51.96 52.37 1wpw s ALA 65 Cb 0.12 -3.24 -0.26 0.00 0.00 0.00 0.00 23.12 19.74 1wpw s ALA 65 CO 0.69 -0.11 0.82 -0.44 0.00 0.00 0.00 175.76 176.73 1wpw h ASP 66 N 2.55 0.01 -4.34 0.00 3.32 -1.20 -3.48 116.42 113.29 1wpw h ASP 66 Ca -0.48 -0.95 -0.62 0.00 0.02 0.00 0.00 57.03 55.00 1wpw h ASP 66 Cb 1.21 -0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.48 1wpw h ASP 66 CO 0.63 0.96 -0.86 -0.63 -1.72 0.00 0.00 179.24 177.63 1wpw s ILE 67 N -2.41 1.77 -0.33 0.35 1.09 -1.08 -3.15 121.20 117.44 1wpw s ILE 67 Ca -0.19 -1.15 -0.07 0.00 -1.10 0.00 0.00 60.65 58.14 1wpw s ILE 67 Cb -0.02 -1.51 0.03 0.00 -1.06 0.00 0.00 42.46 39.89 1wpw s ILE 67 CO 0.69 0.33 0.11 -0.63 -0.10 0.00 0.00 174.94 175.34 1wpw s ILE 68 N -0.71 3.92 -0.23 2.92 1.01 0.11 -1.94 121.20 126.29 1wpw s ILE 68 Ca 0.09 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 1wpw s ILE 68 Cb -0.09 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1wpw s ILE 68 CO 0.01 -0.13 0.08 -0.22 0.00 0.00 0.00 174.94 174.68 1wpw s LEU 69 N 1.44 3.64 0.03 2.97 0.20 -0.41 -0.96 118.68 125.59 1wpw s LEU 69 Ca -0.00 -0.08 -0.01 0.00 0.69 0.00 0.00 54.13 54.73 1wpw s LEU 69 Cb -0.19 -1.96 -0.03 0.00 -0.43 0.00 0.00 46.19 43.58 1wpw s LEU 69 CO 0.03 0.04 -0.02 -1.59 -0.29 0.00 0.00 176.35 174.51 1wpw s LYS 70 N 1.20 0.41 0.30 1.98 -2.85 -0.63 -1.21 119.74 118.94 1wpw s LYS 70 Ca 0.05 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.23 1wpw s LYS 70 Cb -0.14 0.14 0.06 0.00 -2.06 0.00 0.00 37.83 35.83 1wpw s LYS 70 CO 0.04 -0.07 0.41 0.41 0.10 0.00 0.00 175.35 176.24 1wpw n GLY 71 N 1.14 0.75 3.77 0.59 0.00 -0.01 -4.23 105.19 107.20 1wpw n GLY 71 Ca -0.21 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.45 1wpw n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wpw s PRO 72 N -3.50 3.78 0.08 1.61 0.04 -1.26 -4.72 135.00 131.03 1wpw s PRO 72 Ca 0.27 1.82 0.07 0.00 0.04 0.00 0.00 61.00 63.20 1wpw s PRO 72 Cb -0.02 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1wpw s PRO 72 CO 0.18 -0.55 -0.13 0.08 0.04 0.00 0.00 177.00 176.63 1wpw s VAL 73 N -1.51 3.17 0.00 -0.36 1.01 -1.26 -1.73 120.40 119.72 1wpw s VAL 73 Ca 0.63 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1wpw s VAL 73 Cb -0.30 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1wpw s VAL 73 CO 0.36 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1wpw n GLY 74 N 1.04 0.34 0.26 4.51 0.00 -1.26 -4.30 105.19 105.77 1wpw n GLY 74 Ca -0.15 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.55 1wpw n GLY 74 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wpw h GLU 75 N 0.00 0.00 -0.85 1.61 4.39 -2.00 -2.75 114.58 114.98 1wpw h GLU 75 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1wpw h GLU 75 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1wpw h GLU 75 CO 0.00 0.09 0.13 0.43 -1.16 0.00 0.00 179.01 178.49 1wpw n SER 76 N -4.17 3.60 -0.19 1.42 7.64 -1.26 -4.40 113.62 116.25 1wpw n SER 76 Ca -0.03 -2.66 -0.07 0.00 1.01 0.00 0.00 58.87 57.12 1wpw n SER 76 Cb 0.17 -0.64 0.07 0.00 -1.01 0.00 0.00 64.21 62.80 1wpw n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wpw h ALA 77 N 2.55 0.94 0.00 -0.43 0.00 -1.73 -2.86 119.26 117.73 1wpw h ALA 77 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1wpw h ALA 77 Cb 1.59 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1wpw h ALA 77 CO 0.40 0.65 0.00 0.00 0.00 0.00 0.00 179.25 180.29 1wpw n ALA 78 N -2.48 1.95 0.00 0.00 0.00 -1.26 -2.10 120.51 116.62 1wpw n ALA 78 Ca 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1wpw n ALA 78 Cb 0.32 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 1wpw n ALA 78 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wpw n ASP 79 N -1.91 0.19 -0.05 0.00 9.92 -1.09 -4.17 116.55 119.44 1wpw n ASP 79 Ca 0.04 0.07 -0.04 0.00 -0.53 0.00 0.00 54.79 54.34 1wpw n ASP 79 Cb 0.29 1.53 -0.01 0.00 -0.64 0.00 0.00 41.12 42.28 1wpw n ASP 79 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1wpw n VAL 80 N -2.42 0.90 -0.07 2.53 3.14 -1.12 -4.00 118.33 117.29 1wpw n VAL 80 Ca -0.07 0.31 -0.07 0.00 -2.96 0.00 0.00 64.34 61.55 1wpw n VAL 80 Cb 0.65 -2.05 -0.01 0.00 -1.06 0.00 0.00 33.84 31.37 1wpw n VAL 80 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1wpw h VAL 81 N -0.62 0.63 -0.74 1.55 2.07 -1.68 -1.61 116.25 115.85 1wpw h VAL 81 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1wpw h VAL 81 Cb 0.42 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1wpw h VAL 81 CO 0.00 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.39 1wpw h VAL 82 N -0.07 1.26 -0.33 2.57 2.07 -1.75 -1.40 116.25 118.61 1wpw h VAL 82 Ca 0.14 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1wpw h VAL 82 Cb 0.28 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1wpw h VAL 82 CO -0.32 0.36 -0.07 0.11 0.02 0.00 0.00 177.57 177.67 1wpw h LYS 83 N 1.10 0.63 0.00 1.57 1.57 -1.53 -2.74 116.57 117.17 1wpw h LYS 83 Ca 0.24 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1wpw h LYS 83 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1wpw h LYS 83 CO -0.01 0.80 -0.33 -0.07 -0.57 0.00 0.00 179.45 179.27 1wpw h LEU 84 N 0.41 0.00 -0.86 2.94 3.38 -1.04 -1.77 115.31 118.37 1wpw h LEU 84 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1wpw h LEU 84 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1wpw h LEU 84 CO 0.03 0.33 -0.29 -0.09 0.09 0.00 0.00 178.44 178.52 1wpw h ARG 85 N 0.00 0.00 0.11 1.13 2.43 -1.09 -2.88 114.38 114.08 1wpw h ARG 85 Ca -0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1wpw h ARG 85 Cb 0.60 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1wpw h ARG 85 CO 0.04 0.29 -1.84 1.96 -1.51 0.00 0.00 179.97 178.91 1wpw h GLN 86 N 0.00 0.23 0.00 0.20 4.20 -1.04 -2.31 115.11 116.38 1wpw h GLN 86 Ca -0.00 -0.39 -0.10 0.00 0.06 0.00 0.00 58.65 58.22 1wpw h GLN 86 Cb 0.89 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 1wpw h GLN 86 CO 0.04 1.07 -0.69 -0.84 -0.67 0.00 0.00 178.83 177.73 1wpw h ILE 87 N 0.06 0.63 -0.56 2.54 3.07 -1.49 -3.24 117.51 118.52 1wpw h ILE 87 Ca -0.36 -1.96 0.00 0.00 1.55 0.00 0.00 64.86 64.10 1wpw h ILE 87 Cb 2.04 2.23 0.00 0.00 -0.27 0.00 0.00 36.82 40.81 1wpw h ILE 87 CO 0.11 0.36 0.00 -1.22 -1.05 0.00 0.00 178.15 176.35 1wpw n TYR 88 N -3.10 1.17 -3.93 0.16 4.01 -1.09 -5.01 117.16 109.37 1wpw n TYR 88 Ca -0.01 -0.60 -0.36 0.00 -0.16 0.00 0.00 57.90 56.77 1wpw n TYR 88 Cb 0.72 -0.18 0.01 0.00 -0.31 0.00 0.00 39.34 39.59 1wpw n TYR 88 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1wpw n ASP 89 N 0.91 -4.52 -4.32 7.72 2.03 -1.17 -4.74 116.55 112.46 1wpw n ASP 89 Ca 0.23 -1.14 -0.44 0.00 0.52 0.00 0.00 54.79 53.95 1wpw n ASP 89 Cb 0.77 -1.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1wpw n ASP 89 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1wpw n MET 90 N -3.92 3.60 0.12 -0.67 2.81 -0.88 -4.29 117.12 113.90 1wpw n MET 90 Ca -0.21 -4.28 -0.02 0.00 -1.81 0.00 0.00 57.70 51.38 1wpw n MET 90 Cb 0.62 -2.68 0.11 0.00 -0.71 0.00 0.00 33.22 30.56 1wpw n MET 90 CO 0.00 0.00 0.00 0.10 1.51 0.00 0.00 175.97 177.58 1wpw h TYR 91 N 6.60 0.00 -3.61 2.03 -0.00 -1.81 -3.40 116.97 116.78 1wpw h TYR 91 Ca 0.23 0.00 -0.62 0.00 -0.00 0.00 0.00 58.73 58.33 1wpw h TYR 91 Cb 0.83 0.00 -0.13 0.00 -0.00 0.00 0.00 36.73 37.43 1wpw h TYR 91 CO 0.88 0.69 -0.05 0.00 -0.00 0.00 0.00 178.16 179.68 1wpw s ALA 92 N -3.42 3.56 -0.45 0.10 0.00 -0.71 -0.47 121.76 120.37 1wpw s ALA 92 Ca -0.01 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 1wpw s ALA 92 Cb 0.12 -2.89 0.07 0.00 0.00 0.00 0.00 23.12 20.42 1wpw s ALA 92 CO 0.77 -0.82 0.36 1.21 0.00 0.00 0.00 175.76 177.28 1wpw s ASN 93 N 1.60 6.04 -0.13 0.00 2.47 -0.73 0.56 114.94 124.76 1wpw s ASN 93 Ca 0.20 -1.31 -0.18 0.00 0.42 0.00 0.00 52.86 52.00 1wpw s ASN 93 Cb -0.16 -2.14 -0.04 0.00 -1.45 0.00 0.00 41.25 37.46 1wpw s ASN 93 CO 0.10 -0.60 0.45 -0.63 -3.72 0.00 0.00 177.10 172.70 1wpw s ILE 94 N 1.60 5.20 -0.39 -5.21 -1.09 0.08 -1.78 121.20 119.62 1wpw s ILE 94 Ca 0.04 0.90 0.01 0.00 -2.23 0.00 0.00 60.65 59.36 1wpw s ILE 94 Cb -0.23 -3.79 0.13 0.00 -1.58 0.00 0.00 42.46 36.99 1wpw s ILE 94 CO 0.06 0.33 0.21 -0.13 -1.23 0.00 0.00 174.94 174.18 1wpw s ARG 95 N 0.65 0.93 0.43 2.79 1.81 -0.47 -2.15 118.95 122.94 1wpw s ARG 95 Ca 0.25 -1.61 -0.23 0.00 -1.72 0.00 0.00 55.73 52.41 1wpw s ARG 95 Cb -0.15 -1.91 -0.08 0.00 -0.45 0.00 0.00 34.95 32.36 1wpw s ARG 95 CO 0.09 -1.15 1.08 -1.25 -0.68 0.00 0.00 175.30 173.40 1wpw s PRO 96 N 0.81 3.99 -0.32 3.54 0.04 -1.26 -2.30 135.00 139.50 1wpw s PRO 96 Ca 0.16 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1wpw s PRO 96 Cb -0.23 -2.44 0.10 0.00 0.04 0.00 0.00 34.50 31.97 1wpw s PRO 96 CO -0.04 -0.31 0.08 0.00 0.04 0.00 0.00 177.00 176.78 1wpw s ALA 97 N -1.67 2.01 -0.09 8.56 0.00 0.15 -4.75 121.76 125.98 1wpw s ALA 97 Ca 0.61 -1.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.58 1wpw s ALA 97 Cb -0.23 -1.74 0.03 0.00 0.00 0.00 0.00 23.12 21.17 1wpw s ALA 97 CO 0.29 -1.68 -0.03 0.21 0.00 0.00 0.00 175.76 174.55 1wpw s LYS 98 N 1.36 0.96 0.31 0.00 2.20 -1.26 0.48 119.74 123.78 1wpw s LYS 98 Ca 0.10 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.39 1wpw s LYS 98 Cb -0.18 -1.19 -0.10 0.00 -1.51 0.00 0.00 37.83 34.85 1wpw s LYS 98 CO -0.19 -0.28 1.35 -1.54 -0.36 0.00 0.00 175.35 174.33 1wpw s SER 99 N 1.82 6.72 -0.22 1.43 1.04 -0.67 -4.85 113.70 118.97 1wpw s SER 99 Ca 0.04 2.69 -0.07 0.00 0.48 0.00 0.00 55.95 59.09 1wpw s SER 99 Cb -0.12 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.32 1wpw s SER 99 CO -0.06 -0.60 0.06 -0.63 0.98 0.00 0.00 173.24 172.99 1wpw s ILE 100 N -0.79 4.37 -0.09 -1.02 1.01 -1.26 -4.88 121.20 118.54 1wpw s ILE 100 Ca 0.52 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.72 1wpw s ILE 100 Cb -0.41 -3.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.98 1wpw s ILE 100 CO 0.50 0.39 2.07 -2.16 0.00 0.00 0.00 174.94 175.74 1wpw s PRO 101 N 1.16 3.66 0.00 2.79 0.04 -1.26 -2.10 135.00 139.29 1wpw s PRO 101 Ca 0.04 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1wpw s PRO 101 Cb -0.14 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1wpw s PRO 101 CO 0.03 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1wpw n GLY 102 N 5.11 3.45 3.79 0.56 0.00 -1.26 -3.56 105.19 113.29 1wpw n GLY 102 Ca 0.24 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1wpw n GLY 102 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wpw s ILE 103 N 0.00 4.15 0.01 -0.61 1.10 -0.89 -4.99 121.20 119.97 1wpw s ILE 103 Ca 0.00 1.59 -0.35 0.00 -0.51 0.00 0.00 60.65 61.37 1wpw s ILE 103 Cb 0.00 -3.79 -0.14 0.00 0.15 0.00 0.00 42.46 38.68 1wpw s ILE 103 CO 0.00 -0.05 1.63 -0.90 -2.11 0.00 0.00 174.94 173.52 1wpw n ASP 104 N -0.01 2.77 -0.04 4.50 5.68 -1.26 -4.84 116.55 123.35 1wpw n ASP 104 Ca 0.04 1.06 -0.08 0.00 -0.50 0.00 0.00 54.79 55.32 1wpw n ASP 104 Cb 0.51 -1.32 -0.03 0.00 -1.14 0.00 0.00 41.12 39.15 1wpw n ASP 104 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1wpw n THR 105 N 3.86 0.41 -1.32 2.12 5.66 -1.26 -4.59 114.28 119.16 1wpw n THR 105 Ca 0.20 -0.11 -0.12 0.00 -3.05 0.00 0.00 64.05 60.97 1wpw n THR 105 Cb 0.25 -1.48 -0.05 0.00 -1.55 0.00 0.00 70.33 67.49 1wpw n THR 105 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1wpw n LYS 106 N -3.25 -1.44 0.00 1.09 2.85 -1.26 -4.72 118.16 111.44 1wpw n LYS 106 Ca -0.14 0.80 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 1wpw n LYS 106 Cb 0.61 -5.01 0.00 0.00 -0.65 0.00 0.00 35.03 29.97 1wpw n LYS 106 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1wpw n TYR 107 N -1.90 0.00 -1.11 5.58 4.01 -1.26 -5.15 117.16 117.33 1wpw n TYR 107 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1wpw n TYR 107 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1wpw n TYR 107 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wpw n GLY 108 N 0.00 -1.01 3.53 2.72 0.00 -1.26 -4.81 105.19 104.36 1wpw n GLY 108 Ca 0.00 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1wpw n GLY 108 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wpw s ASN 109 N -4.00 6.19 0.00 1.61 0.01 -1.26 -4.91 114.94 112.58 1wpw s ASN 109 Ca 0.00 -0.34 0.03 0.00 -0.71 0.00 0.00 52.86 51.85 1wpw s ASN 109 Cb 0.00 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 1wpw s ASN 109 CO 0.00 -0.40 -0.08 0.68 -1.51 0.00 0.00 177.10 175.80 1wpw s VAL 110 N 2.05 3.58 -0.42 1.60 -7.23 -1.26 -4.75 120.40 113.97 1wpw s VAL 110 Ca 0.12 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 1wpw s VAL 110 Cb -0.17 -2.55 0.18 0.00 0.56 0.00 0.00 36.38 34.40 1wpw s VAL 110 CO 0.12 0.40 0.37 -0.67 -0.31 0.00 0.00 175.10 175.01 1wpw n ASP 111 N 1.59 -0.25 -4.56 4.85 -0.08 -1.24 -1.67 116.55 115.19 1wpw n ASP 111 Ca -0.16 -2.44 -0.34 0.00 -1.51 0.00 0.00 54.79 50.34 1wpw n ASP 111 Cb 0.52 -0.57 -0.12 0.00 2.34 0.00 0.00 41.12 43.30 1wpw n ASP 111 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1wpw s ILE 112 N -0.14 3.66 -0.26 5.18 1.01 0.18 -4.59 121.20 126.24 1wpw s ILE 112 Ca 0.33 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1wpw s ILE 112 Cb 0.05 -2.51 0.06 0.00 0.01 0.00 0.00 42.46 40.07 1wpw s ILE 112 CO -0.19 0.58 -0.10 -0.22 0.00 0.00 0.00 174.94 175.01 1wpw s LEU 113 N -0.60 3.52 -0.20 2.97 1.98 0.38 0.35 118.68 127.08 1wpw s LEU 113 Ca 0.09 -1.44 -0.16 0.00 -2.89 0.00 0.00 54.13 49.73 1wpw s LEU 113 Cb -0.12 -1.55 -0.04 0.00 0.66 0.00 0.00 46.19 45.14 1wpw s LEU 113 CO 0.02 -0.20 0.39 -0.63 -1.89 0.00 0.00 176.35 174.03 1wpw s ILE 114 N 1.09 5.21 -0.25 6.68 1.01 -0.97 -0.54 121.20 133.43 1wpw s ILE 114 Ca -0.08 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.23 1wpw s ILE 114 Cb -0.20 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1wpw s ILE 114 CO -0.05 0.26 -0.04 -0.69 0.00 0.00 0.00 174.94 174.42 1wpw s VAL 115 N 1.25 3.11 -0.13 2.92 1.01 0.12 -1.37 120.40 127.30 1wpw s VAL 115 Ca 0.19 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1wpw s VAL 115 Cb -0.15 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1wpw s VAL 115 CO 0.08 0.24 -0.14 -0.60 0.00 0.00 0.00 175.10 174.68 1wpw s ARG 116 N 1.38 3.35 0.15 2.72 3.52 -0.74 -2.00 118.95 127.34 1wpw s ARG 116 Ca 0.02 -0.70 -0.31 0.00 -0.13 0.00 0.00 55.73 54.60 1wpw s ARG 116 Cb -0.16 -2.63 -0.09 0.00 -1.56 0.00 0.00 34.95 30.51 1wpw s ARG 116 CO -0.03 0.17 1.51 -2.00 -0.81 0.00 0.00 175.30 174.14 1wpw s GLU 117 N 0.44 4.25 -0.27 5.12 -6.30 -0.99 -1.78 118.70 119.17 1wpw s GLU 117 Ca -0.10 2.27 0.13 0.00 -2.50 0.00 0.00 54.97 54.77 1wpw s GLU 117 Cb -0.16 -3.18 0.48 0.00 0.00 0.00 0.00 34.13 31.27 1wpw s GLU 117 CO 0.05 -0.55 1.16 -1.71 0.02 0.00 0.00 175.26 174.23 1wpw n ASN 118 N 3.91 3.68 0.00 -1.70 5.15 0.38 -2.75 115.26 123.93 1wpw n ASN 118 Ca 0.13 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 50.96 1wpw n ASN 118 Cb 0.40 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1wpw n ASN 118 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1wpw n THR 119 N -0.67 0.00 -0.33 -0.44 -2.24 -1.26 -4.82 114.28 104.52 1wpw n THR 119 Ca 0.31 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1wpw n THR 119 Cb 0.91 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1wpw n THR 119 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wpw n GLU 120 N -0.90 3.17 0.00 -0.78 0.28 -1.26 -4.62 120.64 116.54 1wpw n GLU 120 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1wpw n GLU 120 Cb 0.02 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.89 1wpw n GLU 120 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1wpw n ASP 121 N 0.00 0.00 -0.27 -1.84 -0.08 -0.34 -3.41 116.55 110.61 1wpw n ASP 121 Ca 0.00 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.41 1wpw n ASP 121 Cb 0.00 0.00 0.38 0.00 2.34 0.00 0.00 41.12 43.84 1wpw n ASP 121 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wpw n LEU 122 N 0.00 1.08 -0.36 -2.67 4.77 -1.26 -2.46 117.00 116.10 1wpw n LEU 122 Ca 0.00 -0.29 0.14 0.00 -0.03 0.00 0.00 56.01 55.83 1wpw n LEU 122 Cb 0.00 -0.11 0.57 0.00 -2.33 0.00 0.00 43.42 41.55 1wpw n LEU 122 CO 0.00 0.20 0.88 -1.22 -1.33 0.00 0.00 177.39 175.92 1wpw n TYR 123 N -0.58 0.00 1.77 -1.77 4.01 -1.22 -3.49 117.16 115.89 1wpw n TYR 123 Ca 0.13 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.98 1wpw n TYR 123 Cb 0.35 -0.03 0.61 0.00 -0.31 0.00 0.00 39.34 39.96 1wpw n TYR 123 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1wpw n LYS 124 N -0.17 1.24 -2.24 -0.72 2.85 -1.26 -4.92 118.16 112.94 1wpw n LYS 124 Ca 0.19 -0.35 -0.11 0.00 -1.05 0.00 0.00 58.31 56.99 1wpw n LYS 124 Cb 0.31 -1.39 -0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1wpw n LYS 124 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1wpw n GLY 125 N 0.96 -0.07 3.15 2.58 0.00 -1.23 -4.94 105.19 105.64 1wpw n GLY 125 Ca 0.17 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1wpw n GLY 125 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wpw n PHE 126 N -4.00 3.94 -3.94 1.61 3.72 -1.26 -4.94 117.46 112.58 1wpw n PHE 126 Ca -0.13 -3.03 -0.10 0.00 -0.05 0.00 0.00 57.45 54.15 1wpw n PHE 126 Cb 0.60 -2.18 -0.11 0.00 -0.94 0.00 0.00 39.48 36.85 1wpw n PHE 126 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1wpw s GLU 127 N 1.53 0.33 0.11 -1.08 -1.05 -1.26 -1.51 118.70 115.76 1wpw s GLU 127 Ca 0.43 -0.50 -0.09 0.00 -0.15 0.00 0.00 54.97 54.67 1wpw s GLU 127 Cb 0.05 0.12 -0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1wpw s GLU 127 CO 0.00 -0.06 0.21 -1.01 0.95 0.00 0.00 175.26 175.36 1wpw s HIS 128 N -1.30 0.20 -0.44 4.83 3.76 -0.55 -4.99 115.29 116.79 1wpw s HIS 128 Ca -0.14 -0.62 -0.20 0.00 -0.15 0.00 0.00 55.06 53.95 1wpw s HIS 128 Cb -0.09 -0.05 0.03 0.00 1.11 0.00 0.00 32.58 33.58 1wpw s HIS 128 CO -0.00 -0.59 0.62 0.42 -0.85 0.00 0.00 174.74 174.34 1wpw s ILE 129 N -3.88 4.86 0.00 0.60 1.01 -1.26 -1.26 121.20 121.26 1wpw s ILE 129 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 1wpw s ILE 129 Cb 0.04 -4.20 -0.28 0.00 0.01 0.00 0.00 42.46 38.03 1wpw s ILE 129 CO -0.08 -0.60 0.86 -0.37 0.00 0.00 0.00 174.94 174.74 1wpw h VAL 130 N 5.86 1.15 -4.17 2.92 -1.51 -1.71 -3.48 116.25 115.31 1wpw h VAL 130 Ca -0.26 -2.77 -0.22 0.00 -1.23 0.00 0.00 66.70 62.22 1wpw h VAL 130 Cb 1.10 2.78 -0.10 0.00 -2.13 0.00 0.00 31.29 32.93 1wpw h VAL 130 CO 0.89 0.82 -0.30 -0.55 -1.23 0.00 0.00 177.57 177.20 1wpw s SER 131 N -7.04 0.52 -0.08 4.19 0.15 -1.23 -5.05 113.70 105.15 1wpw s SER 131 Ca -0.09 -1.33 -0.34 0.00 0.70 0.00 0.00 55.95 54.88 1wpw s SER 131 Cb 0.07 0.56 -0.12 0.00 -1.71 0.00 0.00 66.02 64.82 1wpw s SER 131 CO 0.86 -1.12 1.84 -0.67 1.20 0.00 0.00 173.24 175.35 1wpw n ASP 132 N -0.86 3.35 -2.17 5.45 2.03 -1.26 -2.10 116.55 120.99 1wpw n ASP 132 Ca 0.01 0.99 -0.20 0.00 0.52 0.00 0.00 54.79 56.11 1wpw n ASP 132 Cb 0.63 -1.36 -0.02 0.00 -0.72 0.00 0.00 41.12 39.65 1wpw n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wpw n GLY 133 N 4.29 -0.20 2.77 0.27 0.00 -1.26 -4.99 105.19 106.07 1wpw n GLY 133 Ca 0.22 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1wpw n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wpw s VAL 134 N -2.96 0.50 0.06 1.61 1.01 -0.89 -5.11 120.40 114.62 1wpw s VAL 134 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1wpw s VAL 134 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1wpw s VAL 134 CO 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 175.10 175.04 1wpw s ALA 135 N 1.90 2.83 -0.08 5.51 0.00 -1.26 -1.74 121.76 128.91 1wpw s ALA 135 Ca 0.02 -1.18 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1wpw s ALA 135 Cb -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.12 1wpw s ALA 135 CO -0.07 0.61 -0.05 0.08 0.00 0.00 0.00 175.76 176.33 1wpw s VAL 136 N -1.06 0.75 0.05 0.00 1.01 -0.39 -4.95 120.40 115.81 1wpw s VAL 136 Ca 0.18 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1wpw s VAL 136 Cb -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1wpw s VAL 136 CO 0.09 0.31 0.02 -0.83 0.00 0.00 0.00 175.10 174.68 1wpw s GLY 137 N 1.48 1.92 -0.21 4.51 0.00 -1.26 -1.49 107.32 112.27 1wpw s GLY 137 Ca -0.01 -1.03 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 1wpw s GLY 137 CO -0.04 -0.97 0.01 1.06 0.00 0.00 0.00 173.10 173.16 1wpw s MET 138 N -2.04 3.60 -0.26 2.90 -1.94 -0.57 -4.98 119.30 116.01 1wpw s MET 138 Ca 0.24 -0.53 -0.16 0.00 -1.71 0.00 0.00 55.69 53.54 1wpw s MET 138 Cb -0.12 -3.10 -0.03 0.00 2.01 0.00 0.00 34.83 33.58 1wpw s MET 138 CO 0.16 -0.04 0.42 0.21 -0.01 0.00 0.00 175.02 175.77 1wpw s LYS 139 N 1.13 4.05 -0.22 2.03 2.20 -1.26 -4.50 119.74 123.18 1wpw s LYS 139 Ca 0.03 0.15 -0.03 0.00 -0.36 0.00 0.00 55.97 55.76 1wpw s LYS 139 Cb -0.14 -3.64 -0.00 0.00 -1.51 0.00 0.00 37.83 32.53 1wpw s LYS 139 CO 0.01 -0.28 -0.05 0.42 -0.36 0.00 0.00 175.35 175.09 1wpw s ILE 140 N 2.07 3.25 -0.16 5.43 1.01 -1.03 -4.96 121.20 126.81 1wpw s ILE 140 Ca 0.17 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1wpw s ILE 140 Cb -0.16 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.85 1wpw s ILE 140 CO 0.09 0.42 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 1wpw s ILE 141 N 1.46 2.01 0.12 2.92 -1.09 -1.26 -1.20 121.20 124.15 1wpw s ILE 141 Ca 0.06 -0.93 0.08 0.00 -2.23 0.00 0.00 60.65 57.62 1wpw s ILE 141 Cb -0.14 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 1wpw s ILE 141 CO -0.04 0.54 -0.11 0.42 -1.23 0.00 0.00 174.94 174.51 1wpw s THR 142 N 1.09 3.25 0.21 2.92 -4.23 -1.26 -4.98 115.64 112.64 1wpw s THR 142 Ca -0.01 -1.36 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 1wpw s THR 142 Cb -0.14 -2.52 0.16 0.00 1.34 0.00 0.00 72.50 71.33 1wpw s THR 142 CO -0.08 0.08 1.85 -0.09 -0.54 0.00 0.00 174.62 175.85 1wpw h ARG 143 N 3.55 0.87 0.51 3.99 9.65 -1.98 -2.28 114.38 128.67 1wpw h ARG 143 Ca -0.49 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.31 1wpw h ARG 143 Cb 1.17 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1wpw h ARG 143 CO 0.51 0.57 -0.24 0.35 2.80 0.00 0.00 179.97 183.96 1wpw h PHE 144 N 0.89 -0.63 -0.41 2.20 3.57 -2.00 -1.30 116.94 119.27 1wpw h PHE 144 Ca 0.30 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 1wpw h PHE 144 Cb 0.04 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1wpw h PHE 144 CO -0.04 -0.36 0.00 0.00 -2.23 0.00 0.00 178.31 175.68 1wpw h ALA 145 N -0.27 1.24 -0.34 2.41 0.00 -1.98 -2.51 119.26 117.81 1wpw h ALA 145 Ca -0.07 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1wpw h ALA 145 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wpw h ALA 145 CO 0.11 0.51 -0.37 0.77 0.00 0.00 0.00 179.25 180.27 1wpw h SER 146 N 0.62 0.84 -0.05 0.00 0.02 -1.23 -2.58 113.55 111.17 1wpw h SER 146 Ca 0.13 -0.37 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 1wpw h SER 146 Cb 0.39 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1wpw h SER 146 CO 0.01 1.12 -0.44 -0.33 -1.14 0.00 0.00 176.83 176.06 1wpw h GLU 147 N 0.65 0.59 -0.60 3.45 5.08 -1.15 -2.48 114.58 120.12 1wpw h GLU 147 Ca 0.06 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1wpw h GLU 147 Cb 0.93 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1wpw h GLU 147 CO 0.09 0.91 0.19 0.00 -1.00 0.00 0.00 179.01 179.20 1wpw h ARG 148 N 0.48 0.94 0.00 2.33 3.08 -1.41 -0.74 114.38 119.05 1wpw h ARG 148 Ca 0.03 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 1wpw h ARG 148 Cb 0.95 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1wpw h ARG 148 CO 0.09 0.84 -0.51 0.97 -1.07 0.00 0.00 179.97 180.28 1wpw h ILE 149 N 0.86 1.15 -0.02 2.04 6.09 -1.45 -2.73 117.51 123.45 1wpw h ILE 149 Ca 0.19 -1.91 -0.17 0.00 -1.37 0.00 0.00 64.86 61.60 1wpw h ILE 149 Cb 0.29 2.09 -0.01 0.00 0.47 0.00 0.00 36.82 39.66 1wpw h ILE 149 CO -0.01 0.50 -0.77 0.00 -3.07 0.00 0.00 178.15 174.80 1wpw h ALA 150 N 1.49 0.66 -0.22 0.18 0.00 -1.09 -2.06 119.26 118.21 1wpw h ALA 150 Ca -0.01 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.11 1wpw h ALA 150 Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1wpw h ALA 150 CO 0.07 0.87 -0.40 0.87 0.00 0.00 0.00 179.25 180.65 1wpw h LYS 151 N 0.10 0.52 -0.16 0.00 1.57 -0.89 -1.84 116.57 115.87 1wpw h LYS 151 Ca -0.03 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 1wpw h LYS 151 Cb 1.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 1wpw h LYS 151 CO 0.12 0.83 -0.45 0.28 -0.57 0.00 0.00 179.45 179.66 1wpw h VAL 152 N 0.43 1.32 -0.28 0.50 2.07 -1.42 -2.24 116.25 116.63 1wpw h VAL 152 Ca 0.04 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 1wpw h VAL 152 Cb 0.89 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1wpw h VAL 152 CO 0.08 0.50 -0.08 1.23 0.02 0.00 0.00 177.57 179.32 1wpw h GLY 153 N 1.18 0.49 0.75 2.17 0.00 -0.98 -3.02 103.07 103.67 1wpw h GLY 153 Ca 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1wpw h GLY 153 CO 0.08 0.29 -0.15 -2.00 0.00 0.00 0.00 176.54 174.76 1wpw h LEU 154 N 0.43 0.39 -0.47 3.11 6.46 -0.86 -2.13 115.31 122.24 1wpw h LEU 154 Ca 0.09 -0.48 0.07 0.00 -0.12 0.00 0.00 57.88 57.44 1wpw h LEU 154 Cb 0.40 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.16 1wpw h LEU 154 CO 0.02 0.79 0.13 0.78 -0.62 0.00 0.00 178.44 179.54 1wpw h ASN 155 N 0.00 0.08 -0.29 1.25 2.35 -1.36 -1.43 115.58 116.19 1wpw h ASN 155 Ca 0.02 0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 1wpw h ASN 155 Cb 0.68 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1wpw h ASN 155 CO 0.04 0.07 -0.40 -0.26 -1.65 0.00 0.00 177.43 175.23 1wpw h PHE 156 N 0.28 1.01 -0.55 1.19 0.04 -1.56 -3.16 116.94 114.19 1wpw h PHE 156 Ca 0.23 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.67 1wpw h PHE 156 Cb 0.27 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 1wpw h PHE 156 CO -0.19 1.10 0.23 0.00 -0.60 0.00 0.00 178.31 178.84 1wpw h ALA 157 N 0.85 0.71 -0.07 2.45 0.00 -1.08 -2.83 119.26 119.30 1wpw h ALA 157 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wpw h ALA 157 Cb 0.97 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wpw h ALA 157 CO 0.09 0.31 0.07 -0.07 0.00 0.00 0.00 179.25 179.65 1wpw h LEU 158 N 0.74 0.00 -3.20 0.00 4.07 -1.23 0.75 115.31 116.44 1wpw h LEU 158 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1wpw h LEU 158 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1wpw h LEU 158 CO -0.02 0.00 0.00 -2.11 -1.08 0.00 0.00 178.44 175.23 1wpw n ARG 159 N -4.03 2.72 0.00 1.13 1.85 -1.12 -4.76 116.66 112.45 1wpw n ARG 159 Ca -0.01 -2.76 0.00 0.00 -1.00 0.00 0.00 57.85 54.08 1wpw n ARG 159 Cb 0.16 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 29.81 1wpw n ARG 159 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1wpw n ARG 160 N -0.57 0.00 -0.72 2.89 1.74 0.10 -5.01 116.66 115.10 1wpw n ARG 160 Ca 0.20 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.36 1wpw n ARG 160 Cb 0.83 0.00 0.36 0.00 -1.02 0.00 0.00 32.46 32.63 1wpw n ARG 160 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wpw n ARG 161 N 0.00 4.20 -3.76 5.56 1.74 -1.22 -4.97 116.66 118.21 1wpw n ARG 161 Ca 0.00 -3.01 -0.29 0.00 -0.77 0.00 0.00 57.85 53.78 1wpw n ARG 161 Cb 0.00 -2.06 -0.00 0.00 -1.02 0.00 0.00 32.46 29.37 1wpw n ARG 161 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wpw n LYS 162 N 0.59 -3.84 -4.31 5.56 5.02 -0.30 -4.96 118.16 115.92 1wpw n LYS 162 Ca 0.26 0.48 -0.27 0.00 -2.02 0.00 0.00 58.31 56.75 1wpw n LYS 162 Cb 1.04 -5.24 -0.17 0.00 -0.02 0.00 0.00 35.03 30.64 1wpw n LYS 162 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wpw s LYS 163 N -6.44 1.91 0.04 1.97 2.20 -1.26 -1.98 119.74 116.18 1wpw s LYS 163 Ca 0.57 -0.44 0.07 0.00 -0.36 0.00 0.00 55.97 55.81 1wpw s LYS 163 Cb -0.30 -1.70 -0.03 0.00 -1.51 0.00 0.00 37.83 34.29 1wpw s LYS 163 CO 0.70 -0.11 -0.21 0.08 -0.36 0.00 0.00 175.35 175.45 1wpw s VAL 164 N 1.13 1.72 -0.14 4.02 1.01 0.68 -2.14 120.40 126.68 1wpw s VAL 164 Ca -0.05 -1.21 -0.00 0.00 0.00 0.00 0.00 61.98 60.72 1wpw s VAL 164 Cb -0.14 -1.49 0.03 0.00 0.00 0.00 0.00 36.38 34.78 1wpw s VAL 164 CO -0.03 0.23 -0.06 -0.89 0.00 0.00 0.00 175.10 174.35 1wpw s THR 165 N -0.79 1.07 -0.31 3.92 2.01 -0.53 -2.28 115.64 118.74 1wpw s THR 165 Ca 0.08 -0.48 -0.25 0.00 0.31 0.00 0.00 61.69 61.35 1wpw s THR 165 Cb -0.09 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.24 1wpw s THR 165 CO 0.02 0.23 0.86 0.00 -0.69 0.00 0.00 174.62 175.04 1wpw s VAL 167 N 3.11 5.39 0.00 0.00 1.01 -0.64 -1.62 120.40 127.65 1wpw s VAL 167 Ca 0.35 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1wpw s VAL 167 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1wpw s VAL 167 CO 0.13 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.64 1wpw n HIS 168 N 3.76 -0.61 -2.72 5.22 1.44 -0.93 -4.28 115.22 117.08 1wpw n HIS 168 Ca -0.16 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.51 1wpw n HIS 168 Cb 0.52 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.70 1wpw n HIS 168 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1wpw n LYS 169 N 0.00 1.37 0.08 -1.40 3.00 -1.26 -0.99 118.16 118.95 1wpw n LYS 169 Ca 0.00 -2.77 0.08 0.00 -0.00 0.00 0.00 58.31 55.62 1wpw n LYS 169 Cb 0.00 -0.89 0.35 0.00 0.00 0.00 0.00 35.03 34.49 1wpw n LYS 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wpw n ALA 170 N -0.55 1.34 0.16 3.14 0.00 -1.26 -0.93 120.51 122.41 1wpw n ALA 170 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1wpw n ALA 170 Cb 0.83 -1.24 0.26 0.00 0.00 0.00 0.00 19.45 19.30 1wpw n ALA 170 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1wpw h ASN 171 N 0.00 0.00 0.00 0.00 -0.00 -1.96 -3.23 115.58 110.39 1wpw h ASN 171 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.30 56.06 1wpw h ASN 171 Cb 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 38.32 38.43 1wpw h ASN 171 CO 0.00 0.50 -1.91 0.52 -0.00 0.00 0.00 177.43 176.54 1wpw n VAL 172 N -3.88 0.91 -3.19 6.14 0.31 -0.96 -4.70 118.33 112.96 1wpw n VAL 172 Ca -0.01 -0.34 -0.44 0.00 -0.01 0.00 0.00 64.34 63.54 1wpw n VAL 172 Cb 0.52 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1wpw n VAL 172 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1wpw n MET 173 N -3.03 3.90 -0.32 5.55 2.81 -0.11 -4.89 117.12 121.03 1wpw n MET 173 Ca -0.29 -4.47 0.10 0.00 -1.81 0.00 0.00 57.70 51.23 1wpw n MET 173 Cb 0.79 -2.55 0.27 0.00 -0.71 0.00 0.00 33.22 31.03 1wpw n MET 173 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wpw h ARG 174 N 6.19 0.64 0.00 0.03 2.47 -1.82 -2.82 114.38 119.06 1wpw h ARG 174 Ca 0.19 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.83 1wpw h ARG 174 Cb 0.77 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 1wpw h ARG 174 CO 1.15 0.42 -0.48 0.82 0.56 0.00 0.00 179.97 182.45 1wpw h ILE 175 N 0.66 0.42 0.61 2.04 1.08 -1.90 -3.21 117.51 117.20 1wpw h ILE 175 Ca 0.52 -1.42 -0.03 0.00 -0.39 0.00 0.00 64.86 63.54 1wpw h ILE 175 Cb 0.80 0.89 0.01 0.00 -3.07 0.00 0.00 36.82 35.45 1wpw h ILE 175 CO -0.39 0.14 -0.29 0.71 -0.69 0.00 0.00 178.15 177.63 1wpw h THR 176 N -1.00 0.00 -0.27 -0.27 1.35 -1.97 -2.27 112.91 108.48 1wpw h THR 176 Ca -0.07 -0.10 -0.08 0.00 -0.55 0.00 0.00 66.41 65.60 1wpw h THR 176 Cb 0.61 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.01 1wpw h THR 176 CO -0.05 0.00 -0.19 0.44 -0.25 0.00 0.00 175.52 175.48 1wpw h ASP 177 N -0.91 0.49 -0.86 5.36 3.32 -1.76 -2.47 116.42 119.59 1wpw h ASP 177 Ca -0.08 -0.15 0.11 0.00 0.02 0.00 0.00 57.03 56.93 1wpw h ASP 177 Cb 0.62 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.98 1wpw h ASP 177 CO 0.14 0.69 0.55 1.23 -1.72 0.00 0.00 179.24 180.13 1wpw h GLY 178 N 0.97 1.17 1.46 2.75 0.00 -1.55 0.22 103.07 108.10 1wpw h GLY 178 Ca 0.07 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 46.91 1wpw h GLY 178 CO 0.04 0.15 -0.64 -2.00 0.00 0.00 0.00 176.54 174.09 1wpw h LEU 179 N 0.76 0.63 0.17 3.11 5.85 -0.94 -1.99 115.31 122.90 1wpw h LEU 179 Ca 0.41 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1wpw h LEU 179 Cb 0.53 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1wpw h LEU 179 CO -0.17 1.11 -0.08 0.15 -0.34 0.00 0.00 178.44 179.10 1wpw h PHE 180 N 0.40 -0.22 -0.75 1.25 3.57 -0.89 -2.30 116.94 118.00 1wpw h PHE 180 Ca -0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1wpw h PHE 180 Cb 1.21 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.98 1wpw h PHE 180 CO 0.05 0.00 0.49 0.00 -2.23 0.00 0.00 178.31 176.63 1wpw h ALA 181 N 0.38 1.59 -0.60 2.41 0.00 -0.63 -0.76 119.26 121.67 1wpw h ALA 181 Ca -0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1wpw h ALA 181 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wpw h ALA 181 CO 0.04 0.32 -0.01 1.49 0.00 0.00 0.00 179.25 181.09 1wpw h GLU 182 N 0.88 1.05 -0.49 0.00 4.81 -1.20 -1.47 114.58 118.16 1wpw h GLU 182 Ca 0.31 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1wpw h GLU 182 Cb 0.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1wpw h GLU 182 CO -0.09 1.03 0.02 0.00 -0.73 0.00 0.00 179.01 179.24 1wpw h ALA 183 N 1.02 1.12 -0.26 2.92 0.00 -0.95 -2.43 119.26 120.68 1wpw h ALA 183 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wpw h ALA 183 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wpw h ALA 183 CO 0.03 0.57 0.15 0.00 0.00 0.00 0.00 179.25 179.99 1wpw h ARG 185 N 0.31 0.14 0.00 0.00 3.08 -1.12 -1.81 114.38 114.98 1wpw h ARG 185 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1wpw h ARG 185 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1wpw h ARG 185 CO -0.02 0.30 0.00 -1.13 -1.07 0.00 0.00 179.97 178.05 1wpw n SER 186 N -4.91 0.51 -0.10 7.04 3.41 -0.93 -0.76 113.62 117.89 1wpw n SER 186 Ca -0.06 0.70 -0.15 0.00 -0.26 0.00 0.00 58.87 59.10 1wpw n SER 186 Cb 0.13 -0.78 -0.09 0.00 -0.26 0.00 0.00 64.21 63.21 1wpw n SER 186 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1wpw n VAL 187 N -2.15 1.18 -0.05 -3.33 0.31 -1.19 -4.73 118.33 108.36 1wpw n VAL 187 Ca -0.00 -0.43 -0.09 0.00 -0.01 0.00 0.00 64.34 63.81 1wpw n VAL 187 Cb 0.08 -1.29 -0.15 0.00 -0.91 0.00 0.00 33.84 31.58 1wpw n VAL 187 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1wpw n LEU 188 N -3.20 0.53 -4.73 7.52 4.32 -0.69 -4.77 117.00 115.99 1wpw n LEU 188 Ca -0.37 0.25 -0.42 0.00 -0.02 0.00 0.00 56.01 55.45 1wpw n LEU 188 Cb 0.88 0.30 -0.03 0.00 -1.62 0.00 0.00 43.42 42.95 1wpw n LEU 188 CO 0.18 0.43 1.20 -0.75 -1.22 0.00 0.00 177.39 177.23 1wpw s LYS 189 N -2.56 4.22 0.00 3.23 2.20 0.06 -1.86 119.74 125.03 1wpw s LYS 189 Ca -0.07 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.90 1wpw s LYS 189 Cb 0.07 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1wpw s LYS 189 CO 0.83 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 175.66 1wpw n GLY 190 N 3.27 2.84 0.07 5.54 0.00 -1.26 -4.81 105.19 110.84 1wpw n GLY 190 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1wpw n GLY 190 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wpw n LYS 191 N -0.10 0.57 -3.89 1.61 5.02 -0.78 -4.99 118.16 115.60 1wpw n LYS 191 Ca 0.00 -0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1wpw n LYS 191 Cb 0.00 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.27 1wpw n LYS 191 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1wpw s VAL 192 N -3.39 0.02 -0.09 -0.18 -7.23 -1.16 -5.05 120.40 103.32 1wpw s VAL 192 Ca -0.02 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.69 1wpw s VAL 192 Cb 0.12 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 1wpw s VAL 192 CO 0.83 -0.09 1.77 -0.70 -0.31 0.00 0.00 175.10 176.59 1wpw s GLU 193 N -3.95 3.98 -0.08 4.82 2.12 -0.84 -4.83 118.70 119.92 1wpw s GLU 193 Ca 0.16 2.13 0.03 0.00 0.36 0.00 0.00 54.97 57.66 1wpw s GLU 193 Cb -0.00 -4.07 0.01 0.00 0.26 0.00 0.00 34.13 30.32 1wpw s GLU 193 CO 0.03 -1.10 -0.17 -0.47 -0.54 0.00 0.00 175.26 173.01 1wpw s TYR 194 N 4.83 1.92 0.13 5.30 6.14 -1.26 -0.23 117.35 134.18 1wpw s TYR 194 Ca 0.79 -0.75 -0.02 0.00 0.64 0.00 0.00 57.07 57.72 1wpw s TYR 194 Cb -0.33 -1.34 -0.04 0.00 0.42 0.00 0.00 41.96 40.67 1wpw s TYR 194 CO 0.33 -0.34 0.08 -1.54 0.64 0.00 0.00 175.55 174.72 1wpw s SER 195 N 0.53 0.28 0.03 4.32 1.04 -0.96 -5.02 113.70 113.92 1wpw s SER 195 Ca -0.16 -1.14 0.06 0.00 0.48 0.00 0.00 55.95 55.19 1wpw s SER 195 Cb -0.17 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1wpw s SER 195 CO 0.06 -0.74 -0.19 -1.61 0.98 0.00 0.00 173.24 171.74 1wpw s GLU 196 N -4.03 1.31 -0.00 4.02 2.02 -1.26 -1.13 118.70 119.63 1wpw s GLU 196 Ca 0.22 -0.85 -0.02 0.00 0.02 0.00 0.00 54.97 54.34 1wpw s GLU 196 Cb 0.07 -1.37 -0.00 0.00 0.10 0.00 0.00 34.13 32.92 1wpw s GLU 196 CO 0.00 0.35 0.03 1.41 0.02 0.00 0.00 175.26 177.08 1wpw s MET 197 N -1.03 0.18 0.27 1.61 1.75 -0.64 -4.92 119.30 116.51 1wpw s MET 197 Ca 0.06 -0.21 -0.29 0.00 -1.25 0.00 0.00 55.69 54.00 1wpw s MET 197 Cb -0.08 0.07 -0.09 0.00 2.84 0.00 0.00 34.83 37.57 1wpw s MET 197 CO 0.01 -0.03 0.98 0.71 -0.65 0.00 0.00 175.02 176.04 1wpw s TYR 198 N -0.61 3.83 0.33 4.11 2.02 -1.26 -2.19 117.35 123.56 1wpw s TYR 198 Ca -0.07 1.84 0.07 0.00 -0.37 0.00 0.00 57.07 58.55 1wpw s TYR 198 Cb -0.04 -3.04 0.77 0.00 -0.40 0.00 0.00 41.96 39.25 1wpw s TYR 198 CO -0.00 0.16 1.82 -0.24 -1.57 0.00 0.00 175.55 175.72 1wpw h VAL 199 N 3.01 0.76 -0.28 0.71 3.04 -1.41 -1.45 116.25 120.62 1wpw h VAL 199 Ca -0.46 -0.26 -0.16 0.00 -1.01 0.00 0.00 66.70 64.82 1wpw h VAL 199 Cb 1.20 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1wpw h VAL 199 CO 0.67 0.14 -0.47 -2.24 -1.01 0.00 0.00 177.57 174.66 1wpw h ASP 200 N 0.74 0.82 -0.17 3.17 2.03 -1.92 -1.44 116.42 119.65 1wpw h ASP 200 Ca 0.53 -0.40 0.02 0.00 -0.73 0.00 0.00 57.03 56.45 1wpw h ASP 200 Cb 0.84 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 39.08 1wpw h ASP 200 CO -0.30 1.15 0.02 0.00 -1.03 0.00 0.00 179.24 179.09 1wpw h ALA 201 N 0.87 0.16 -0.92 4.15 0.00 -1.70 -2.68 119.26 119.15 1wpw h ALA 201 Ca 0.03 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1wpw h ALA 201 Cb 1.03 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1wpw h ALA 201 CO 0.10 -0.42 0.57 0.00 0.00 0.00 0.00 179.25 179.51 1wpw h ALA 202 N 1.13 1.28 -0.15 0.00 0.00 -1.23 0.80 119.26 121.08 1wpw h ALA 202 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1wpw h ALA 202 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wpw h ALA 202 CO -0.11 0.31 -0.04 0.00 0.00 0.00 0.00 179.25 179.41 1wpw h ALA 203 N 1.44 1.64 0.14 0.00 0.00 -1.10 0.21 119.26 121.59 1wpw h ALA 203 Ca 0.41 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.86 1wpw h ALA 203 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1wpw h ALA 203 CO -0.19 0.27 -1.61 0.00 0.00 0.00 0.00 179.25 177.72 1wpw h ALA 204 N 1.74 0.19 0.00 0.00 0.00 -0.96 -3.36 119.26 116.87 1wpw h ALA 204 Ca 0.05 -1.14 -0.07 0.00 0.00 0.00 0.00 54.91 53.75 1wpw h ALA 204 Cb 0.23 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wpw h ALA 204 CO 0.01 0.95 -0.31 -0.91 0.00 0.00 0.00 179.25 178.99 1wpw h ASN 205 N -0.11 0.00 0.06 0.00 2.35 0.79 -1.51 115.58 117.16 1wpw h ASN 205 Ca -0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1wpw h ASN 205 Cb 1.92 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.29 1wpw h ASN 205 CO 0.11 0.31 -0.04 0.25 -1.65 0.00 0.00 177.43 176.41 1wpw h LEU 206 N 0.00 0.00 0.14 1.61 5.85 -1.10 -1.38 115.31 120.43 1wpw h LEU 206 Ca -0.00 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.39 1wpw h LEU 206 Cb 0.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1wpw h LEU 206 CO 0.04 0.04 -1.70 0.58 -0.34 0.00 0.00 178.44 177.06 1wpw h VAL 207 N 0.00 0.86 0.68 1.05 2.07 -1.53 -3.31 116.25 116.07 1wpw h VAL 207 Ca -0.00 -2.40 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 1wpw h VAL 207 Cb 0.08 2.64 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1wpw h VAL 207 CO 0.00 0.80 -0.33 -0.09 0.02 0.00 0.00 177.57 177.98 1wpw h ARG 208 N -0.09 -0.88 -2.09 1.57 2.43 -1.02 -3.42 114.38 110.87 1wpw h ARG 208 Ca -0.36 0.06 -0.40 0.00 -0.81 0.00 0.00 59.98 58.48 1wpw h ARG 208 Cb 1.93 0.20 -0.33 0.00 -0.42 0.00 0.00 29.97 31.36 1wpw h ARG 208 CO 0.09 -0.55 -0.70 0.54 -1.51 0.00 0.00 179.97 177.84 1wpw s ASN 209 N -4.50 1.56 0.00 -3.80 4.22 -0.55 -5.00 114.94 106.87 1wpw s ASN 209 Ca -0.15 -1.52 0.09 0.00 -2.14 0.00 0.00 52.86 49.14 1wpw s ASN 209 Cb 0.02 0.40 0.41 0.00 1.28 0.00 0.00 41.25 43.36 1wpw s ASN 209 CO 0.49 -0.29 1.29 -0.81 -2.04 0.00 0.00 177.10 175.74 1wpw n PRO 210 N 4.42 0.01 0.00 3.55 -0.04 -1.22 -2.70 135.00 139.02 1wpw n PRO 210 Ca 0.09 0.32 0.15 0.00 -0.04 0.00 0.00 63.50 64.02 1wpw n PRO 210 Cb 0.44 -1.50 0.76 0.00 -0.04 0.00 0.00 33.50 33.16 1wpw n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wpw n GLN 211 N -1.48 1.12 0.00 0.54 0.00 -1.26 -2.74 117.38 113.55 1wpw n GLN 211 Ca 0.03 -0.32 0.13 0.00 0.00 0.00 0.00 57.00 56.84 1wpw n GLN 211 Cb 0.11 -1.49 0.52 0.00 0.00 0.00 0.00 30.24 29.38 1wpw n GLN 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wpw n MET 212 N -0.66 0.00 -4.22 2.61 0.00 -1.10 -4.83 117.12 108.91 1wpw n MET 212 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.56 1wpw n MET 212 Cb 0.22 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 31.85 1wpw n MET 212 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1wpw s PHE 213 N -3.00 3.23 0.00 3.17 0.08 -1.11 -5.03 117.98 115.32 1wpw s PHE 213 Ca 0.13 0.21 0.00 0.00 0.12 0.00 0.00 56.93 57.39 1wpw s PHE 213 Cb 0.19 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1wpw s PHE 213 CO 0.58 0.52 0.00 -3.47 -0.10 0.00 0.00 175.22 172.75 1wpw n ASP 214 N 1.70 0.00 -4.72 1.36 2.03 -1.26 -4.62 116.55 111.03 1wpw n ASP 214 Ca -0.16 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.79 1wpw n ASP 214 Cb 0.53 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 1wpw n ASP 214 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1wpw s VAL 215 N 0.00 5.18 -0.16 5.18 1.01 -0.91 -0.47 120.40 130.23 1wpw s VAL 215 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 1wpw s VAL 215 Cb 0.00 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1wpw s VAL 215 CO 0.00 0.49 -0.13 -0.63 0.00 0.00 0.00 175.10 174.82 1wpw s ILE 216 N 0.05 2.82 -0.26 2.22 1.01 0.30 -1.46 121.20 125.89 1wpw s ILE 216 Ca 0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.96 1wpw s ILE 216 Cb -0.12 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 1wpw s ILE 216 CO -0.00 0.50 0.03 -0.69 0.00 0.00 0.00 174.94 174.78 1wpw s VAL 217 N 0.85 3.76 0.23 2.92 1.01 -0.65 0.15 120.40 128.66 1wpw s VAL 217 Ca -0.04 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1wpw s VAL 217 Cb -0.15 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1wpw s VAL 217 CO -0.00 0.27 0.26 1.07 0.00 0.00 0.00 175.10 176.69 1wpw n THR 218 N 4.84 0.00 -2.26 3.92 5.66 -0.85 -1.61 114.28 123.98 1wpw n THR 218 Ca -0.16 -1.42 -0.26 0.00 -3.05 0.00 0.00 64.05 59.16 1wpw n THR 218 Cb 0.50 0.78 0.11 0.00 -1.55 0.00 0.00 70.33 70.16 1wpw n THR 218 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1wpw s GLU 219 N -2.73 1.67 0.07 1.09 2.02 -1.26 -2.35 118.70 117.21 1wpw s GLU 219 Ca 0.23 -0.56 -0.25 0.00 0.02 0.00 0.00 54.97 54.41 1wpw s GLU 219 Cb 0.00 -2.15 -0.11 0.00 0.10 0.00 0.00 34.13 31.97 1wpw s GLU 219 CO 0.17 -1.57 1.39 -0.97 0.02 0.00 0.00 175.26 174.29 1wpw h ASN 220 N -0.81 -1.05 0.61 -0.19 -0.00 -1.82 -0.67 115.58 111.64 1wpw h ASN 220 Ca -0.42 0.10 -0.03 0.00 -0.00 0.00 0.00 56.30 55.95 1wpw h ASN 220 Cb 1.28 0.37 0.01 0.00 -0.00 0.00 0.00 38.32 39.97 1wpw h ASN 220 CO 0.49 -0.43 -0.29 -0.37 -0.00 0.00 0.00 177.43 176.83 1wpw h VAL 221 N -0.61 0.36 -0.73 2.57 -1.51 -1.90 -1.83 116.25 112.59 1wpw h VAL 221 Ca -0.02 -0.17 0.11 0.00 -1.23 0.00 0.00 66.70 65.38 1wpw h VAL 221 Cb 0.57 0.42 -0.08 0.00 -2.13 0.00 0.00 31.29 30.07 1wpw h VAL 221 CO -0.13 0.02 0.35 1.88 -1.23 0.00 0.00 177.57 178.47 1wpw h TYR 222 N -0.93 0.62 0.00 5.19 0.05 -1.96 0.07 116.97 120.00 1wpw h TYR 222 Ca -0.08 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.69 1wpw h TYR 222 Cb 0.66 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 1wpw h TYR 222 CO -0.01 0.19 -0.17 0.78 -1.05 0.00 0.00 178.16 177.90 1wpw h GLY 223 N 0.57 0.00 0.89 3.88 0.00 -1.10 -1.51 103.07 105.80 1wpw h GLY 223 Ca 0.37 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 1wpw h GLY 223 CO -0.30 0.00 -0.03 -1.80 0.00 0.00 0.00 176.54 174.41 1wpw h ASP 224 N 0.00 0.55 0.16 0.19 3.58 -0.10 -2.44 116.42 118.37 1wpw h ASP 224 Ca -0.00 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.11 1wpw h ASP 224 Cb 0.47 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1wpw h ASP 224 CO 0.02 0.75 -0.08 0.40 -2.88 0.00 0.00 179.24 177.45 1wpw h ILE 225 N 0.34 0.93 0.00 2.25 2.04 -1.27 -3.31 117.51 118.49 1wpw h ILE 225 Ca 0.08 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1wpw h ILE 225 Cb 0.48 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1wpw h ILE 225 CO 0.02 0.21 -0.14 -0.07 0.00 0.00 0.00 178.15 178.18 1wpw h LEU 226 N -0.77 0.00 -0.09 1.44 3.38 -1.36 -2.65 115.31 115.25 1wpw h LEU 226 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wpw h LEU 226 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wpw h LEU 226 CO 0.04 0.14 0.03 0.28 0.09 0.00 0.00 178.44 179.01 1wpw h SER 227 N 0.00 0.14 0.03 -0.43 0.02 -1.53 -0.76 113.55 111.02 1wpw h SER 227 Ca -0.00 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 1wpw h SER 227 Cb 0.36 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1wpw h SER 227 CO 0.02 0.31 -0.22 0.44 -1.14 0.00 0.00 176.83 176.23 1wpw h ASP 228 N -0.04 0.33 -0.43 3.07 3.32 -1.58 -1.40 116.42 119.70 1wpw h ASP 228 Ca 0.03 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 1wpw h ASP 228 Cb 0.22 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1wpw h ASP 228 CO -0.00 0.57 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.83 1wpw h GLU 229 N 0.31 0.88 -0.09 3.56 4.81 -1.36 -2.80 114.58 119.88 1wpw h GLU 229 Ca 0.05 -0.37 -0.13 0.00 -0.13 0.00 0.00 59.36 58.78 1wpw h GLU 229 Cb 0.57 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1wpw h GLU 229 CO 0.04 1.02 -0.53 0.00 -0.73 0.00 0.00 179.01 178.81 1wpw h ALA 230 N 0.84 0.93 -0.22 2.92 0.00 -0.93 -2.48 119.26 120.32 1wpw h ALA 230 Ca 0.10 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 1wpw h ALA 230 Cb 0.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wpw h ALA 230 CO 0.06 0.68 -0.61 0.77 0.00 0.00 0.00 179.25 180.15 1wpw h SER 231 N 0.21 0.91 -0.02 0.00 0.02 -1.21 -2.58 113.55 110.87 1wpw h SER 231 Ca 0.00 -0.58 0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1wpw h SER 231 Cb 1.00 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 1wpw h SER 231 CO 0.08 1.33 -0.01 1.56 -1.14 0.00 0.00 176.83 178.65 1wpw h GLN 232 N 0.54 -0.01 -0.82 3.45 1.08 -1.51 -1.84 115.11 116.01 1wpw h GLN 232 Ca -0.02 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.28 1wpw h GLN 232 Cb 1.23 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.59 1wpw h GLN 232 CO 0.13 -0.00 0.47 0.82 -0.95 0.00 0.00 178.83 179.29 1wpw h ILE 233 N -0.01 0.91 -0.09 2.54 2.04 -1.43 -2.17 117.51 119.29 1wpw h ILE 233 Ca 0.01 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 1wpw h ILE 233 Cb 0.02 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1wpw h ILE 233 CO -0.03 0.14 -0.54 0.00 0.00 0.00 0.00 178.15 177.73 1wpw h ALA 234 N 1.45 0.92 0.00 1.87 0.00 -1.29 -3.43 119.26 118.78 1wpw h ALA 234 Ca 0.39 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wpw h ALA 234 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wpw h ALA 234 CO -0.25 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1wpw n GLY 235 N 0.13 -2.01 3.07 0.00 0.00 -0.71 -4.10 105.19 101.57 1wpw n GLY 235 Ca -0.02 0.81 -0.08 0.00 0.00 0.00 0.00 46.02 46.73 1wpw n GLY 235 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wpw s SER 236 N -4.00 0.48 0.34 1.61 0.15 -1.20 -4.68 113.70 106.40 1wpw s SER 236 Ca 0.00 -0.86 0.25 0.00 0.70 0.00 0.00 55.95 56.04 1wpw s SER 236 Cb 0.00 0.16 0.67 0.00 -1.71 0.00 0.00 66.02 65.14 1wpw s SER 236 CO 0.00 -0.50 1.72 -0.07 1.20 0.00 0.00 173.24 175.59 1wpw h LEU 237 N 3.56 0.00 -0.79 3.45 3.38 -1.92 -3.25 115.31 119.73 1wpw h LEU 237 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1wpw h LEU 237 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1wpw h LEU 237 CO 0.59 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.72 1wpw n GLY 238 N 1.02 -0.19 0.18 0.83 0.00 -1.26 -3.25 105.19 102.53 1wpw n GLY 238 Ca 0.04 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.70 1wpw n GLY 238 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wpw n ILE 239 N -0.05 0.00 -2.97 -0.61 2.08 -1.23 -4.42 119.36 112.17 1wpw n ILE 239 Ca 0.19 -0.42 -0.41 0.00 0.56 0.00 0.00 62.75 62.67 1wpw n ILE 239 Cb 0.32 1.10 -0.04 0.00 -0.75 0.00 0.00 39.64 40.26 1wpw n ILE 239 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wpw s ALA 240 N -1.13 3.47 0.55 -1.39 0.00 -1.20 -4.13 121.76 117.92 1wpw s ALA 240 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 52.01 1wpw s ALA 240 Cb 0.06 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.08 1wpw s ALA 240 CO 0.19 -0.49 0.82 -1.25 0.00 0.00 0.00 175.76 175.04 1wpw s PRO 241 N 1.74 2.83 0.03 0.00 0.04 -1.26 -1.45 135.00 136.92 1wpw s PRO 241 Ca 0.37 -0.30 -0.09 0.00 0.04 0.00 0.00 61.00 61.01 1wpw s PRO 241 Cb -0.17 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1wpw s PRO 241 CO 0.14 -0.62 0.18 0.45 0.04 0.00 0.00 177.00 177.19 1wpw s SER 242 N -4.32 0.03 -0.00 6.66 0.15 0.12 -4.47 113.70 111.86 1wpw s SER 242 Ca 0.53 -0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.82 1wpw s SER 242 Cb -0.10 0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1wpw s SER 242 CO 0.42 -0.49 0.11 0.00 1.20 0.00 0.00 173.24 174.47 1wpw s ALA 243 N -2.15 -0.26 -0.21 5.45 0.00 -0.91 -2.11 121.76 121.57 1wpw s ALA 243 Ca -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1wpw s ALA 243 Cb -0.03 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.23 1wpw s ALA 243 CO -0.02 -0.18 0.00 -0.80 0.00 0.00 0.00 175.76 174.76 1wpw s ASN 244 N -1.22 3.33 -0.22 0.00 0.01 -0.16 -0.74 114.94 115.94 1wpw s ASN 244 Ca -0.13 -1.00 -0.05 0.00 -0.71 0.00 0.00 52.86 50.97 1wpw s ASN 244 Cb -0.07 -0.84 -0.02 0.00 0.41 0.00 0.00 41.25 40.72 1wpw s ASN 244 CO 0.01 -0.28 0.01 -0.63 -1.51 0.00 0.00 177.10 174.70 1wpw s ILE 245 N 1.66 3.92 0.38 0.60 1.01 0.19 -0.40 121.20 128.56 1wpw s ILE 245 Ca -0.03 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1wpw s ILE 245 Cb -0.18 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.54 1wpw s ILE 245 CO -0.08 0.40 0.36 0.61 0.00 0.00 0.00 174.94 176.23 1wpw n GLY 246 N 4.61 2.55 0.15 6.18 0.00 -0.01 -1.74 105.19 116.93 1wpw n GLY 246 Ca -0.17 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.49 1wpw n GLY 246 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wpw h ASP 247 N 0.32 0.49 0.00 1.61 3.32 -1.85 -3.36 116.42 116.94 1wpw h ASP 247 Ca -0.22 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.40 1wpw h ASP 247 Cb 0.85 -0.15 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 1wpw h ASP 247 CO 0.33 1.19 -0.47 2.29 -1.72 0.00 0.00 179.24 180.86 1wpw n LYS 248 N -3.74 0.77 -3.64 3.56 2.85 -1.26 -5.03 118.16 111.67 1wpw n LYS 248 Ca -0.06 -2.25 -0.07 0.00 -1.05 0.00 0.00 58.31 54.88 1wpw n LYS 248 Cb 0.82 -0.96 -0.07 0.00 -0.65 0.00 0.00 35.03 34.17 1wpw n LYS 248 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1wpw s LYS 249 N -1.65 0.35 0.01 -1.58 2.47 -1.26 -4.88 119.74 113.21 1wpw s LYS 249 Ca 0.26 0.40 -0.01 0.00 -1.56 0.00 0.00 55.97 55.05 1wpw s LYS 249 Cb 0.26 0.17 -0.01 0.00 -1.46 0.00 0.00 37.83 36.79 1wpw s LYS 249 CO -0.04 -0.05 0.01 0.00 0.16 0.00 0.00 175.35 175.43 1wpw s ALA 250 N 0.08 0.01 -0.05 3.13 0.00 -1.19 -0.83 121.76 122.92 1wpw s ALA 250 Ca 0.04 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1wpw s ALA 250 Cb -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1wpw s ALA 250 CO -0.09 -0.14 -0.20 -1.17 0.00 0.00 0.00 175.76 174.16 1wpw s LEU 251 N -1.15 1.98 -0.10 0.00 0.20 0.46 0.10 118.68 120.16 1wpw s LEU 251 Ca -0.13 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.29 1wpw s LEU 251 Cb -0.08 -1.11 0.02 0.00 -0.43 0.00 0.00 46.19 44.60 1wpw s LEU 251 CO -0.00 0.19 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.79 1wpw s PHE 252 N -0.07 1.57 0.11 5.38 0.08 -0.13 -0.99 117.98 123.94 1wpw s PHE 252 Ca -0.03 -0.74 -0.09 0.00 0.12 0.00 0.00 56.93 56.20 1wpw s PHE 252 Cb -0.12 -1.23 -0.00 0.00 -0.57 0.00 0.00 43.02 41.10 1wpw s PHE 252 CO 0.02 -0.45 0.22 -1.83 -0.10 0.00 0.00 175.22 173.08 1wpw s GLU 253 N 1.32 0.95 0.67 0.44 -1.05 -0.89 -1.61 118.70 118.52 1wpw s GLU 253 Ca -0.02 -1.03 -0.11 0.00 -0.15 0.00 0.00 54.97 53.66 1wpw s GLU 253 Cb -0.14 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 1wpw s GLU 253 CO -0.04 -0.32 1.05 -1.25 0.95 0.00 0.00 175.26 175.65 1wpw s PRO 254 N -3.90 3.17 0.15 -4.83 0.04 -1.26 -0.71 135.00 127.66 1wpw s PRO 254 Ca 0.09 0.90 0.05 0.00 0.04 0.00 0.00 61.00 62.08 1wpw s PRO 254 Cb 0.04 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 1wpw s PRO 254 CO -0.07 -0.91 1.33 0.28 0.04 0.00 0.00 177.00 177.67 1wpw h VAL 255 N -0.54 1.61 -4.18 -0.36 2.07 -1.53 -3.44 116.25 109.88 1wpw h VAL 255 Ca -0.44 -3.03 -0.52 0.00 0.82 0.00 0.00 66.70 63.53 1wpw h VAL 255 Cb 1.20 2.68 0.13 0.00 -1.52 0.00 0.00 31.29 33.78 1wpw h VAL 255 CO 0.58 0.87 0.39 -1.38 0.02 0.00 0.00 177.57 178.05 1wpw s HIS 256 N -2.94 2.36 0.00 1.57 -3.43 -1.26 -5.05 115.29 106.54 1wpw s HIS 256 Ca -0.01 1.57 0.00 0.00 -0.80 0.00 0.00 55.06 55.83 1wpw s HIS 256 Cb 0.10 -3.32 0.00 0.00 -1.43 0.00 0.00 32.58 27.93 1wpw s HIS 256 CO 0.82 -2.11 0.00 0.41 -2.00 0.00 0.00 174.74 171.86 1wpw n GLY 257 N -0.06 -1.09 0.19 -1.38 0.00 -1.26 -4.72 105.19 96.87 1wpw n GLY 257 Ca 0.12 -1.65 0.06 0.00 0.00 0.00 0.00 46.02 44.54 1wpw n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpw h ALA 258 N -2.00 1.00 -6.17 4.61 0.00 -1.86 -3.45 119.26 111.39 1wpw h ALA 258 Ca 0.00 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.29 1wpw h ALA 258 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wpw h ALA 258 CO 0.00 0.46 -0.69 0.00 0.00 0.00 0.00 179.25 179.02 1wpw n ALA 259 N -2.29 -2.67 0.22 0.00 0.00 -1.26 -1.09 120.51 113.41 1wpw n ALA 259 Ca -0.00 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1wpw n ALA 259 Cb 0.50 -1.26 0.51 0.00 0.00 0.00 0.00 19.45 19.20 1wpw n ALA 259 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wpw h PHE 260 N 0.28 0.00 0.00 0.00 0.04 -1.94 -3.11 116.94 112.20 1wpw h PHE 260 Ca -0.37 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.39 1wpw h PHE 260 Cb 1.24 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.39 1wpw h PHE 260 CO 0.20 0.25 -0.03 0.38 -0.60 0.00 0.00 178.31 178.51 1wpw h ASP 261 N 0.00 0.00 -0.02 2.17 2.03 -2.01 -2.95 116.42 115.64 1wpw h ASP 261 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1wpw h ASP 261 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1wpw h ASP 261 CO 0.03 0.03 0.00 2.30 -1.03 0.00 0.00 179.24 180.57 1wpw n ILE 262 N -4.24 0.06 -1.69 4.15 -5.35 -1.19 -5.01 119.36 106.08 1wpw n ILE 262 Ca -0.03 -0.53 -0.43 0.00 -0.27 0.00 0.00 62.75 61.49 1wpw n ILE 262 Cb 0.11 1.10 -0.01 0.00 -1.74 0.00 0.00 39.64 39.10 1wpw n ILE 262 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wpw n ALA 263 N 0.36 1.32 0.00 -1.28 0.00 -1.12 -2.12 120.51 117.68 1wpw n ALA 263 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1wpw n ALA 263 Cb 0.18 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1wpw n ALA 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wpw n GLY 264 N 1.29 3.03 0.00 0.00 0.00 -1.26 -4.83 105.19 103.42 1wpw n GLY 264 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1wpw n GLY 264 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wpw n LYS 265 N -2.00 0.59 -3.63 1.61 5.02 -0.90 -4.90 118.16 113.95 1wpw n LYS 265 Ca 0.00 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.10 1wpw n LYS 265 Cb 0.00 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1wpw n LYS 265 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wpw n ASN 266 N -1.12 -2.63 0.00 4.39 5.15 -1.26 -4.92 115.26 114.87 1wpw n ASN 266 Ca 0.15 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 1wpw n ASN 266 Cb 0.13 -4.50 0.00 0.00 -0.53 0.00 0.00 39.78 34.88 1wpw n ASN 266 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1wpw n ILE 267 N -4.38 0.00 -1.79 -1.44 -5.35 -1.26 -1.71 119.36 103.42 1wpw n ILE 267 Ca -0.21 -0.19 -0.41 0.00 -0.27 0.00 0.00 62.75 61.67 1wpw n ILE 267 Cb 0.64 1.61 -0.01 0.00 -1.74 0.00 0.00 39.64 40.14 1wpw n ILE 267 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1wpw s GLY 268 N -0.01 2.18 -0.27 3.28 0.00 -1.26 -4.65 107.32 106.60 1wpw s GLY 268 Ca 0.00 1.56 -0.26 0.00 0.00 0.00 0.00 44.72 46.02 1wpw s GLY 268 CO 0.00 2.51 0.92 0.21 0.00 0.00 0.00 173.10 176.74 1wpw s ASN 269 N 0.44 6.88 0.00 1.64 3.04 -1.26 -4.61 114.94 121.07 1wpw s ASN 269 Ca 0.62 1.04 0.23 0.00 0.04 0.00 0.00 52.86 54.79 1wpw s ASN 269 Cb -0.47 -2.48 1.25 0.00 -1.54 0.00 0.00 41.25 38.02 1wpw s ASN 269 CO 0.49 -0.65 1.82 -0.81 -3.04 0.00 0.00 177.10 174.91 1wpw n PRO 270 N 6.29 1.15 0.05 0.43 -0.04 -1.26 -4.38 135.00 137.25 1wpw n PRO 270 Ca 0.08 -0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 1wpw n PRO 270 Cb 0.47 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 1wpw n PRO 270 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1wpw h THR 271 N 0.47 0.71 -0.58 0.52 2.02 -1.92 -1.04 112.91 113.08 1wpw h THR 271 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1wpw h THR 271 Cb 0.10 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1wpw h THR 271 CO 0.00 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.16 1wpw h ALA 272 N 0.76 0.76 -0.02 6.16 0.00 -1.76 -0.47 119.26 124.68 1wpw h ALA 272 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wpw h ALA 272 Cb 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wpw h ALA 272 CO -0.11 -0.11 0.02 0.35 0.00 0.00 0.00 179.25 179.40 1wpw h PHE 273 N 0.50 0.03 -0.03 0.00 3.57 -1.74 -1.84 116.94 117.43 1wpw h PHE 273 Ca 0.28 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1wpw h PHE 273 Cb 0.25 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1wpw h PHE 273 CO -0.12 0.03 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.66 1wpw h LEU 274 N 0.02 0.05 -0.68 0.59 -0.00 -0.80 -0.97 115.31 113.51 1wpw h LEU 274 Ca 0.01 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 1wpw h LEU 274 Cb 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.64 1wpw h LEU 274 CO -0.00 0.31 -0.46 -0.07 -0.00 0.00 0.00 178.44 178.22 1wpw h LEU 275 N 0.04 0.00 -0.54 1.67 3.38 -0.92 -2.37 115.31 116.57 1wpw h LEU 275 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1wpw h LEU 275 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1wpw h LEU 275 CO 0.03 0.46 -0.21 0.28 0.09 0.00 0.00 178.44 179.09 1wpw h SER 276 N 0.00 0.97 -0.30 -0.43 0.02 -0.34 -2.28 113.55 111.20 1wpw h SER 276 Ca -0.00 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 1wpw h SER 276 Cb 1.06 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1wpw h SER 276 CO 0.06 1.14 0.13 0.58 -1.14 0.00 0.00 176.83 177.60 1wpw h VAL 277 N 0.82 1.15 -0.27 2.27 2.07 -1.12 -1.11 116.25 120.05 1wpw h VAL 277 Ca 0.11 -0.47 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 1wpw h VAL 277 Cb 0.78 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1wpw h VAL 277 CO 0.06 0.18 -0.45 -1.28 0.02 0.00 0.00 177.57 176.10 1wpw h SER 278 N 0.50 0.75 -0.44 0.57 0.87 -1.07 -2.02 113.55 112.71 1wpw h SER 278 Ca 0.12 -0.36 -0.11 0.00 -1.23 0.00 0.00 61.79 60.21 1wpw h SER 278 Cb 0.13 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1wpw h SER 278 CO -0.01 1.09 -0.17 0.24 -0.53 0.00 0.00 176.83 177.45 1wpw h MET 279 N 0.56 0.89 -0.48 2.24 2.86 -0.84 -2.68 114.93 117.47 1wpw h MET 279 Ca 0.04 -0.37 0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1wpw h MET 279 Cb 1.00 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.55 1wpw h MET 279 CO 0.09 1.02 0.08 1.98 1.06 0.00 0.00 176.91 181.14 1wpw h MET 280 N 0.72 0.20 -0.59 1.72 -1.53 -0.97 0.12 114.93 114.60 1wpw h MET 280 Ca 0.10 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.35 1wpw h MET 280 Cb 0.73 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.70 1wpw h MET 280 CO 0.06 0.13 0.38 1.88 0.14 0.00 0.00 176.91 179.50 1wpw h TYR 281 N 0.21 0.75 -0.34 1.39 0.05 -1.25 -0.80 116.97 116.97 1wpw h TYR 281 Ca 0.24 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.97 1wpw h TYR 281 Cb 0.33 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 1wpw h TYR 281 CO -0.24 0.48 -0.05 1.49 -1.05 0.00 0.00 178.16 178.79 1wpw h GLU 282 N 0.80 0.55 0.00 4.88 4.81 -0.49 -2.27 114.58 122.87 1wpw h GLU 282 Ca 0.21 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 1wpw h GLU 282 Cb -0.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1wpw h GLU 282 CO -0.04 0.62 -0.70 -0.09 -0.73 0.00 0.00 179.01 178.06 1wpw h ARG 283 N 0.52 0.00 0.00 1.92 1.12 0.04 -2.95 114.38 115.03 1wpw h ARG 283 Ca 0.10 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.87 1wpw h ARG 283 Cb 0.42 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.36 1wpw h ARG 283 CO 0.02 0.70 -0.49 0.52 -3.11 0.00 0.00 179.97 177.62 1wpw h MET 284 N 0.00 0.00 -0.10 0.20 2.86 -0.75 -2.78 114.93 114.36 1wpw h MET 284 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wpw h MET 284 Cb 1.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 1wpw h MET 284 CO 0.09 0.49 -0.04 -0.92 1.06 0.00 0.00 176.91 177.59 1wpw h TYR 285 N 0.00 0.24 -0.13 -0.22 3.20 -1.27 -1.80 116.97 117.00 1wpw h TYR 285 Ca -0.00 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1wpw h TYR 285 Cb 0.93 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1wpw h TYR 285 CO 0.00 0.54 0.08 0.93 -1.64 0.00 0.00 178.16 178.07 1wpw h GLU 286 N -0.13 0.14 0.10 1.82 5.08 -1.38 0.48 114.58 120.68 1wpw h GLU 286 Ca 0.02 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 1wpw h GLU 286 Cb 0.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1wpw h GLU 286 CO 0.01 0.09 -1.39 -0.07 -1.00 0.00 0.00 179.01 176.65 1wpw h LEU 287 N 0.14 0.32 0.00 1.33 3.38 -1.37 -3.38 115.31 115.73 1wpw h LEU 287 Ca 0.05 -0.41 -0.17 0.00 0.09 0.00 0.00 57.88 57.45 1wpw h LEU 287 Cb 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1wpw h LEU 287 CO -0.01 1.33 -1.89 -1.54 0.09 0.00 0.00 178.44 176.42 1wpw n SER 288 N -3.43 1.41 -0.34 -0.43 3.41 -0.69 -4.98 113.62 108.58 1wpw n SER 288 Ca -0.12 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.45 1wpw n SER 288 Cb 1.02 1.18 -0.02 0.00 -0.26 0.00 0.00 64.21 66.14 1wpw n SER 288 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wpw n ASN 289 N -2.35 -4.20 -4.43 4.04 2.85 0.17 -4.97 115.26 106.36 1wpw n ASN 289 Ca -0.16 0.11 -0.44 0.00 -0.11 0.00 0.00 54.58 53.98 1wpw n ASN 289 Cb 0.76 -2.09 -0.08 0.00 1.24 0.00 0.00 39.78 39.62 1wpw n ASN 289 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wpw s ASP 290 N -2.44 6.17 0.00 1.20 -1.08 -1.26 -4.96 116.67 114.31 1wpw s ASP 290 Ca 0.00 -1.06 0.04 0.00 -0.52 0.00 0.00 52.55 51.00 1wpw s ASP 290 Cb 0.00 -2.22 0.20 0.00 -1.46 0.00 0.00 42.92 39.45 1wpw s ASP 290 CO 0.00 -0.68 0.81 -0.90 0.52 0.00 0.00 175.17 174.92 1wpw n ASP 291 N 5.52 0.00 -0.22 -0.34 5.75 -1.26 -2.46 116.55 123.54 1wpw n ASP 291 Ca -0.10 0.05 0.05 0.00 -0.01 0.00 0.00 54.79 54.78 1wpw n ASP 291 Cb 0.45 -0.13 0.31 0.00 -1.03 0.00 0.00 41.12 40.72 1wpw n ASP 291 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1wpw h ARG 292 N 0.00 0.83 -0.25 0.11 0.11 -1.92 -1.45 114.38 111.80 1wpw h ARG 292 Ca 0.00 -0.05 -0.14 0.00 0.10 0.00 0.00 59.98 59.89 1wpw h ARG 292 Cb 0.02 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 30.90 1wpw h ARG 292 CO 0.00 0.55 -0.43 1.88 0.10 0.00 0.00 179.97 182.07 1wpw h TYR 293 N 0.85 0.75 -0.18 4.08 0.05 -1.79 -1.81 116.97 118.92 1wpw h TYR 293 Ca 0.33 -0.23 -0.11 0.00 0.05 0.00 0.00 58.73 58.76 1wpw h TYR 293 Cb 0.20 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 1wpw h TYR 293 CO -0.00 0.95 -0.38 0.97 -1.05 0.00 0.00 178.16 178.65 1wpw h ILE 294 N 0.51 1.30 -0.20 -2.88 -0.00 -1.64 -1.50 117.51 113.09 1wpw h ILE 294 Ca 0.04 -1.50 -0.13 0.00 -0.00 0.00 0.00 64.86 63.27 1wpw h ILE 294 Cb 0.95 1.58 -0.01 0.00 -0.00 0.00 0.00 36.82 39.34 1wpw h ILE 294 CO 0.09 0.46 -0.41 0.11 -0.00 0.00 0.00 178.15 178.40 1wpw h LYS 295 N 0.34 0.48 -0.11 2.19 1.57 -1.03 -1.98 116.57 118.03 1wpw h LYS 295 Ca 0.03 -0.24 -0.13 0.00 -1.87 0.00 0.00 60.65 58.45 1wpw h LYS 295 Cb 0.82 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1wpw h LYS 295 CO 0.07 0.81 -0.48 0.00 -0.57 0.00 0.00 179.45 179.27 1wpw h ALA 296 N 1.17 0.97 0.18 3.86 0.00 -1.06 -1.84 119.26 122.52 1wpw h ALA 296 Ca 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1wpw h ALA 296 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wpw h ALA 296 CO 0.08 0.65 -0.08 1.03 0.00 0.00 0.00 179.25 180.92 1wpw h SER 297 N 0.23 -0.20 -0.47 0.00 0.87 -1.06 -2.45 113.55 110.48 1wpw h SER 297 Ca 0.01 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.30 1wpw h SER 297 Cb 0.94 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1wpw h SER 297 CO 0.08 0.11 0.07 0.03 -0.53 0.00 0.00 176.83 176.59 1wpw h ARG 298 N -0.52 0.84 -0.86 2.24 2.47 -1.38 -1.48 114.38 115.69 1wpw h ARG 298 Ca -0.02 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 58.47 1wpw h ARG 298 Cb 0.40 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.57 1wpw h ARG 298 CO 0.04 0.80 0.42 0.00 0.56 0.00 0.00 179.97 181.79 1wpw h ALA 299 N 1.28 1.11 0.01 0.04 0.00 -1.34 -1.13 119.26 119.22 1wpw h ALA 299 Ca 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wpw h ALA 299 Cb 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wpw h ALA 299 CO 0.01 0.67 -0.01 1.25 0.00 0.00 0.00 179.25 181.17 1wpw h LEU 300 N 1.22 -0.01 -0.40 0.00 6.46 -1.19 -2.81 115.31 118.58 1wpw h LEU 300 Ca 0.30 -0.77 0.08 0.00 -0.12 0.00 0.00 57.88 57.37 1wpw h LEU 300 Cb 0.11 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 39.96 1wpw h LEU 300 CO -0.04 0.79 -0.15 -0.08 -0.62 0.00 0.00 178.44 178.35 1wpw h GLU 301 N -0.84 -0.06 -0.18 1.25 4.81 -1.27 -2.65 114.58 115.63 1wpw h GLU 301 Ca -0.00 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1wpw h GLU 301 Cb 0.78 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.11 1wpw h GLU 301 CO 0.00 -0.04 -0.24 -0.91 -0.73 0.00 0.00 179.01 177.09 1wpw h ASN 302 N -0.06 -0.77 -0.73 1.04 4.21 -1.30 -2.02 115.58 115.95 1wpw h ASN 302 Ca 0.20 0.13 0.12 0.00 1.21 0.00 0.00 56.30 57.96 1wpw h ASN 302 Cb 0.36 0.35 -0.09 0.00 -1.12 0.00 0.00 38.32 37.82 1wpw h ASN 302 CO -0.45 -0.29 0.31 0.00 -1.29 0.00 0.00 177.43 175.71 1wpw h ALA 303 N 0.71 1.01 -0.24 -0.83 0.00 -1.21 -0.60 119.26 118.11 1wpw h ALA 303 Ca 0.12 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1wpw h ALA 303 Cb 0.46 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1wpw h ALA 303 CO -0.34 -0.17 -0.43 -0.84 0.00 0.00 0.00 179.25 177.47 1wpw h ILE 304 N 0.48 1.30 -0.85 0.00 3.07 -1.24 -2.47 117.51 117.81 1wpw h ILE 304 Ca 0.39 -1.62 -0.03 0.00 1.55 0.00 0.00 64.86 65.15 1wpw h ILE 304 Cb 0.54 1.59 -0.04 0.00 -0.27 0.00 0.00 36.82 38.63 1wpw h ILE 304 CO -0.36 0.51 0.43 1.88 -1.05 0.00 0.00 178.15 179.56 1wpw h TYR 305 N 0.48 1.20 -0.34 0.16 -1.99 -0.55 -2.32 116.97 113.61 1wpw h TYR 305 Ca 0.03 -0.05 -0.02 0.00 2.00 0.00 0.00 58.73 60.70 1wpw h TYR 305 Cb 0.95 -0.38 -0.02 0.00 2.00 0.00 0.00 36.73 39.29 1wpw h TYR 305 CO 0.04 0.85 0.15 -0.07 -0.00 0.00 0.00 178.16 179.13 1wpw h LEU 306 N 1.19 0.45 -1.14 3.88 3.38 -0.95 -1.60 115.31 120.53 1wpw h LEU 306 Ca 0.29 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1wpw h LEU 306 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1wpw h LEU 306 CO -0.04 0.47 -0.22 -0.37 0.09 0.00 0.00 178.44 178.37 1wpw h VAL 307 N 0.40 1.24 -0.29 1.22 -1.51 -1.26 -2.17 116.25 113.88 1wpw h VAL 307 Ca 0.11 -1.10 -0.16 0.00 -1.23 0.00 0.00 66.70 64.32 1wpw h VAL 307 Cb 0.15 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 1wpw h VAL 307 CO -0.01 0.34 -0.46 1.88 -1.23 0.00 0.00 177.57 178.09 1wpw h TYR 308 N 0.30 0.92 -0.31 5.19 -1.99 -1.25 -2.51 116.97 117.33 1wpw h TYR 308 Ca 0.05 -0.30 -0.06 0.00 2.00 0.00 0.00 58.73 60.42 1wpw h TYR 308 Cb 0.56 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 1wpw h TYR 308 CO 0.01 1.07 -0.08 -0.22 -0.00 0.00 0.00 178.16 178.95 1wpw h LYS 309 N 0.60 0.50 0.00 4.88 3.64 -0.97 -2.94 116.57 122.28 1wpw h LYS 309 Ca 0.03 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 1wpw h LYS 309 Cb 1.03 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 1wpw h LYS 309 CO 0.10 0.59 -0.57 0.93 -2.27 0.00 0.00 179.45 178.23 1wpw h GLU 310 N 0.47 0.00 -2.72 1.90 5.08 -1.32 -3.48 114.58 114.50 1wpw h GLU 310 Ca 0.09 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.16 1wpw h GLU 310 Cb 0.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1wpw h GLU 310 CO 0.02 0.49 -0.33 0.54 -1.00 0.00 0.00 179.01 178.73 1wpw n ARG 311 N -3.20 -1.79 -0.02 2.33 1.74 -0.95 -4.86 116.66 109.90 1wpw n ARG 311 Ca 0.01 0.75 -0.07 0.00 -0.77 0.00 0.00 57.85 57.77 1wpw n ARG 311 Cb 0.74 -5.23 -0.13 0.00 -1.02 0.00 0.00 32.46 26.82 1wpw n ARG 311 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1wpw n LYS 312 N -2.50 0.64 -3.22 5.56 2.85 -1.26 -4.63 118.16 115.60 1wpw n LYS 312 Ca -0.16 0.26 -0.24 0.00 -1.05 0.00 0.00 58.31 57.12 1wpw n LYS 312 Cb 0.57 -1.77 -0.06 0.00 -0.65 0.00 0.00 35.03 33.11 1wpw n LYS 312 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wpw n ALA 313 N -2.55 2.80 -2.34 0.58 0.00 -1.26 -4.92 120.51 112.82 1wpw n ALA 313 Ca -0.17 -3.74 -0.18 0.00 0.00 0.00 0.00 53.44 49.35 1wpw n ALA 313 Cb 1.03 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 19.64 1wpw n ALA 313 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wpw s LEU 314 N -1.76 3.88 0.36 0.00 1.43 -1.26 -4.21 118.68 117.12 1wpw s LEU 314 Ca 0.38 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 53.17 1wpw s LEU 314 Cb 0.20 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 1wpw s LEU 314 CO -0.09 -0.52 0.64 0.42 0.23 0.00 0.00 176.35 177.03 1wpw s THR 315 N -2.23 4.97 0.65 5.49 -4.23 -1.26 -0.99 115.64 118.04 1wpw s THR 315 Ca 0.48 0.08 0.37 0.00 -1.18 0.00 0.00 61.69 61.44 1wpw s THR 315 Cb -0.10 -3.79 0.39 0.00 1.34 0.00 0.00 72.50 70.35 1wpw s THR 315 CO 0.32 -0.52 2.22 1.55 -0.54 0.00 0.00 174.62 177.64 1wpw h PRO 316 N 1.10 0.00 0.00 3.99 0.13 -1.73 -1.44 132.00 134.05 1wpw h PRO 316 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1wpw h PRO 316 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wpw h PRO 316 CO 0.64 0.00 -0.11 0.38 -0.23 0.00 0.00 178.00 178.68 1wpw h ASP 317 N 0.00 0.00 -0.22 1.44 2.03 -1.86 -2.85 116.42 114.95 1wpw h ASP 317 Ca 0.01 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.24 1wpw h ASP 317 Cb 0.23 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.69 1wpw h ASP 317 CO -0.00 0.11 -0.08 1.33 -1.03 0.00 0.00 179.24 179.57 1wpw n VAL 318 N -3.34 2.31 -0.42 4.15 0.24 -0.88 -4.94 118.33 115.45 1wpw n VAL 318 Ca -0.00 -2.43 0.00 0.00 -2.04 0.00 0.00 64.34 59.86 1wpw n VAL 318 Cb 0.31 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 1wpw n VAL 318 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wpw n GLY 319 N -0.99 0.72 0.92 7.63 0.00 -1.08 -4.93 105.19 107.47 1wpw n GLY 319 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 1wpw n GLY 319 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wpw n GLY 320 N -2.06 0.04 0.48 -0.02 0.00 -0.60 -4.92 105.19 98.11 1wpw n GLY 320 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1wpw n GLY 320 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wpw n ASN 321 N -3.06 0.00 -4.99 1.61 6.94 -1.12 -3.41 115.26 111.24 1wpw n ASN 321 Ca 0.04 -1.80 -0.20 0.00 -0.02 0.00 0.00 54.58 52.61 1wpw n ASN 321 Cb 0.14 -0.16 0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1wpw n ASN 321 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wpw s ALA 322 N 0.00 4.17 0.48 -2.53 0.00 -0.16 -4.93 121.76 118.78 1wpw s ALA 322 Ca 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 1wpw s ALA 322 Cb 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1wpw s ALA 322 CO 0.00 -0.30 0.73 -0.08 0.00 0.00 0.00 175.76 176.11 1wpw s THR 323 N -2.41 4.30 0.54 0.00 -1.32 -1.26 -4.25 115.64 111.24 1wpw s THR 323 Ca 0.51 -0.21 0.31 0.00 -1.21 0.00 0.00 61.69 61.09 1wpw s THR 323 Cb -0.10 -3.62 0.35 0.00 -1.51 0.00 0.00 72.50 67.62 1wpw s THR 323 CO 0.34 -0.52 2.22 0.00 -2.21 0.00 0.00 174.62 174.45 1wpw h THR 324 N 0.27 0.46 -0.13 5.08 1.03 -1.58 -1.90 112.91 116.14 1wpw h THR 324 Ca -0.47 -0.16 -0.16 0.00 -0.01 0.00 0.00 66.41 65.61 1wpw h THR 324 Cb 1.24 1.10 -0.01 0.00 -1.07 0.00 0.00 68.15 69.41 1wpw h THR 324 CO 0.60 0.03 -0.60 0.44 -0.01 0.00 0.00 175.52 175.98 1wpw h ASP 325 N 0.00 0.50 -0.28 0.00 3.32 -1.93 -3.04 116.42 114.99 1wpw h ASP 325 Ca -0.00 -0.28 -0.16 0.00 0.02 0.00 0.00 57.03 56.61 1wpw h ASP 325 Cb 0.10 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1wpw h ASP 325 CO 0.00 0.98 -0.45 0.44 -1.72 0.00 0.00 179.24 178.49 1wpw h ASP 326 N 0.33 0.88 -0.46 6.45 3.32 -1.73 -2.47 116.42 122.74 1wpw h ASP 326 Ca -0.00 -0.52 -0.13 0.00 0.02 0.00 0.00 57.03 56.40 1wpw h ASP 326 Cb 1.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1wpw h ASP 326 CO 0.11 1.23 -0.21 0.25 -1.72 0.00 0.00 179.24 178.90 1wpw h LEU 327 N 0.56 0.98 -0.83 1.55 5.85 -1.61 -2.26 115.31 119.55 1wpw h LEU 327 Ca 0.02 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1wpw h LEU 327 Cb 1.05 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1wpw h LEU 327 CO 0.10 1.16 0.38 0.40 -0.34 0.00 0.00 178.44 180.14 1wpw h ILE 328 N 0.79 1.26 -0.70 4.05 2.04 -1.56 -2.68 117.51 120.71 1wpw h ILE 328 Ca 0.10 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.20 1wpw h ILE 328 Cb 0.78 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1wpw h ILE 328 CO 0.06 0.32 0.43 0.78 0.00 0.00 0.00 178.15 179.75 1wpw h ASN 329 N 1.19 0.83 0.13 1.72 4.21 -1.19 -1.58 115.58 120.89 1wpw h ASN 329 Ca 0.28 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.70 1wpw h ASN 329 Cb 0.15 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.13 1wpw h ASN 329 CO -0.03 0.64 -0.17 -0.33 -1.29 0.00 0.00 177.43 176.25 1wpw h GLU 330 N 0.95 0.09 0.01 0.81 4.39 -1.29 -1.97 114.58 117.58 1wpw h GLU 330 Ca 0.25 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.74 1wpw h GLU 330 Cb -0.05 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1wpw h GLU 330 CO -0.05 0.27 -0.87 0.82 -1.16 0.00 0.00 179.01 178.02 1wpw h ILE 331 N 0.09 1.56 0.00 3.13 2.04 -1.11 -3.07 117.51 120.16 1wpw h ILE 331 Ca 0.02 -2.80 -0.07 0.00 1.00 0.00 0.00 64.86 63.01 1wpw h ILE 331 Cb 0.36 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1wpw h ILE 331 CO 0.02 0.81 -0.35 0.22 0.00 0.00 0.00 178.15 178.85 1wpw h TYR 332 N 0.04 0.00 0.00 1.37 3.20 -0.74 -2.89 116.97 117.95 1wpw h TYR 332 Ca -0.03 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.66 1wpw h TYR 332 Cb 1.52 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.76 1wpw h TYR 332 CO 0.01 0.35 -1.03 -0.91 -1.64 0.00 0.00 178.16 174.94 1wpw h ASN 333 N 0.00 0.00 0.16 -2.11 2.35 -1.39 -3.29 115.58 111.30 1wpw h ASN 333 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wpw h ASN 333 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1wpw h ASN 333 CO 0.05 0.77 -0.11 0.29 -1.65 0.00 0.00 177.43 176.78 1wpw n LYS 334 N -3.18 1.10 -0.08 0.81 4.76 -1.16 -4.10 118.16 116.31 1wpw n LYS 334 Ca -0.04 -0.55 -0.09 0.00 -2.87 0.00 0.00 58.31 54.76 1wpw n LYS 334 Cb 0.88 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.53 1wpw n LYS 334 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1wpw h LEU 335 N 1.34 0.00 0.00 -0.35 5.85 -1.57 -3.44 115.31 117.14 1wpw h LEU 335 Ca 0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1wpw h LEU 335 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1wpw h LEU 335 CO 0.00 0.93 0.00 0.61 -0.34 0.00 0.00 178.44 179.64