#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpx n GLY 6 N 0.00 1.42 3.59 0.00 0.00 -1.26 -5.07 105.19 103.86 2wpx n GLY 6 Ca 0.00 0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 2wpx n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wpx s GLU 7 N 3.41 2.89 -0.08 1.61 0.41 -1.26 -4.96 118.70 120.72 2wpx s GLU 7 Ca 0.00 1.80 -0.18 0.00 -0.41 0.00 0.00 54.97 56.17 2wpx s GLU 7 Cb 0.00 -4.41 -0.05 0.00 -1.78 0.00 0.00 34.13 27.90 2wpx s GLU 7 CO 0.00 -2.38 0.50 -0.51 -0.49 0.00 0.00 175.26 172.38 2wpx s LEU 8 N 9.13 4.33 -0.27 1.80 1.43 -1.26 -4.61 118.68 129.22 2wpx s LEU 8 Ca 0.97 0.92 -0.08 0.00 -1.03 0.00 0.00 54.13 54.91 2wpx s LEU 8 Cb -0.28 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 2wpx s LEU 8 CO 0.32 0.05 0.11 -0.70 0.23 0.00 0.00 176.35 176.37 2wpx s GLU 9 N 0.27 3.60 -0.27 1.70 2.12 -0.20 -4.94 118.70 120.97 2wpx s GLU 9 Ca 0.27 -0.53 -0.19 0.00 0.36 0.00 0.00 54.97 54.89 2wpx s GLU 9 Cb -0.16 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 2wpx s GLU 9 CO 0.12 -0.25 0.55 -0.06 -0.54 0.00 0.00 175.26 175.08 2wpx s PHE 10 N 1.63 3.25 -0.06 5.30 0.08 -1.26 0.33 117.98 127.25 2wpx s PHE 10 Ca 0.06 0.61 0.03 0.00 0.12 0.00 0.00 56.93 57.75 2wpx s PHE 10 Cb -0.16 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.50 2wpx s PHE 10 CO 0.05 -0.34 -0.14 0.08 -0.10 0.00 0.00 175.22 174.77 2wpx s VAL 11 N 2.39 1.25 0.56 -0.44 1.01 -0.50 -5.01 120.40 119.68 2wpx s VAL 11 Ca 0.22 -0.56 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 2wpx s VAL 11 Cb -0.15 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 2wpx s VAL 11 CO 0.10 0.38 1.24 -2.65 0.00 0.00 0.00 175.10 174.17 2wpx n PRO 12 N 3.64 1.41 -3.50 2.72 -0.02 -1.26 -1.32 135.00 136.67 2wpx n PRO 12 Ca -0.21 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 2wpx n PRO 12 Cb 0.52 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 2wpx n PRO 12 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wpx s LEU 13 N -3.04 5.16 -0.06 2.45 2.96 -0.45 -4.66 118.68 121.04 2wpx s LEU 13 Ca 0.73 -1.16 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 2wpx s LEU 13 Cb -0.42 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 2wpx s LEU 13 CO 0.48 -0.50 -0.24 0.00 -1.32 0.00 0.00 176.35 174.76 2wpx s ALA 14 N 1.59 2.21 0.57 5.97 0.00 -1.26 -4.63 121.76 126.21 2wpx s ALA 14 Ca 0.03 -1.04 0.27 0.00 0.00 0.00 0.00 51.96 51.21 2wpx s ALA 14 Cb -0.21 -0.70 1.58 0.00 0.00 0.00 0.00 23.12 23.78 2wpx s ALA 14 CO 0.07 0.43 2.10 0.00 0.00 0.00 0.00 175.76 178.36 2wpx h ALA 15 N 6.00 1.92 -0.00 0.00 0.00 -1.94 -2.48 119.26 122.75 2wpx h ALA 15 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2wpx h ALA 15 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wpx h ALA 15 CO 0.48 -0.29 -0.12 0.27 0.00 0.00 0.00 179.25 179.59 2wpx n ASN 16 N -3.99 0.20 -4.36 0.00 2.04 -1.26 -4.52 115.26 103.36 2wpx n ASN 16 Ca 0.02 0.01 -0.46 0.00 -0.44 0.00 0.00 54.58 53.72 2wpx n ASN 16 Cb 0.32 -0.23 -0.01 0.00 -2.53 0.00 0.00 39.78 37.33 2wpx n ASN 16 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2wpx s ASP 17 N -2.81 7.00 0.22 0.53 3.68 -0.94 -4.92 116.67 119.44 2wpx s ASP 17 Ca 0.19 -3.00 -0.08 0.00 2.13 0.00 0.00 52.55 51.79 2wpx s ASP 17 Cb 0.19 -2.26 0.33 0.00 -1.45 0.00 0.00 42.92 39.74 2wpx s ASP 17 CO 0.54 -0.54 1.74 0.44 0.13 0.00 0.00 175.17 177.48 2wpx h ASP 18 N 7.40 0.27 -0.06 -0.34 3.45 -1.85 -0.68 116.42 124.61 2wpx h ASP 18 Ca 0.17 0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.75 2wpx h ASP 18 Cb 0.95 0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 39.72 2wpx h ASP 18 CO 0.95 0.14 -0.34 -0.08 -1.57 0.00 0.00 179.24 178.35 2wpx h GLU 19 N 0.44 -0.45 -0.25 3.56 4.57 -1.98 0.22 114.58 120.70 2wpx h GLU 19 Ca 0.34 0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.45 2wpx h GLU 19 Cb 0.44 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 2wpx h GLU 19 CO -0.33 -0.30 -0.23 1.15 -1.18 0.00 0.00 179.01 178.12 2wpx h THR 20 N -0.46 1.31 -0.45 0.32 2.02 -1.84 -2.40 112.91 111.41 2wpx h THR 20 Ca 0.07 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2wpx h THR 20 Cb 0.57 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2wpx h THR 20 CO -0.31 0.44 0.28 0.58 0.37 0.00 0.00 175.52 176.87 2wpx h VAL 21 N 0.31 1.13 -0.79 3.16 2.07 -1.04 -1.30 116.25 119.78 2wpx h VAL 21 Ca 0.04 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.40 2wpx h VAL 21 Cb 0.78 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 2wpx h VAL 21 CO 0.06 0.13 0.52 1.23 0.02 0.00 0.00 177.57 179.52 2wpx h GLY 22 N 0.60 1.02 1.38 2.17 0.00 -0.47 -0.50 103.07 107.27 2wpx h GLY 22 Ca 0.16 -0.29 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 2wpx h GLY 22 CO -0.03 0.16 -0.78 1.46 0.00 0.00 0.00 176.54 177.34 2wpx h GLN 23 N 0.69 0.60 -0.26 4.80 4.20 -0.90 -1.56 115.11 122.68 2wpx h GLN 23 Ca 0.37 -0.50 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2wpx h GLN 23 Cb 0.50 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2wpx h GLN 23 CO -0.14 1.13 0.14 2.35 -0.67 0.00 0.00 178.83 181.63 2wpx h TRP 24 N 0.40 0.36 -0.50 2.96 7.01 -0.93 -0.74 115.95 124.52 2wpx h TRP 24 Ca -0.05 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.01 2wpx h TRP 24 Cb 1.39 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 28.28 2wpx h TRP 24 CO 0.07 0.31 0.19 -0.07 -2.79 0.00 0.00 178.44 176.14 2wpx h LEU 25 N 0.30 0.20 -1.17 0.65 3.38 -1.03 -1.92 115.31 115.73 2wpx h LEU 25 Ca 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2wpx h LEU 25 Cb 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2wpx h LEU 25 CO -0.01 0.15 0.27 0.44 0.09 0.00 0.00 178.44 179.37 2wpx h ASP 26 N 0.37 0.77 -0.40 -0.43 3.45 -1.05 -1.06 116.42 118.07 2wpx h ASP 26 Ca 0.24 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 2wpx h ASP 26 Cb 0.24 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 2wpx h ASP 26 CO -0.23 0.67 0.15 0.25 -1.57 0.00 0.00 179.24 178.51 2wpx h LEU 27 N 0.85 0.57 -0.17 1.55 5.85 -0.40 -1.15 115.31 122.41 2wpx h LEU 27 Ca 0.21 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2wpx h LEU 27 Cb 0.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2wpx h LEU 27 CO -0.03 0.59 0.04 0.24 -0.34 0.00 0.00 178.44 178.94 2wpx h MET 28 N 0.51 0.28 -0.77 1.25 2.86 -0.99 0.12 114.93 118.18 2wpx h MET 28 Ca 0.13 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2wpx h MET 28 Cb 0.21 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2wpx h MET 28 CO -0.01 0.42 0.40 0.00 1.06 0.00 0.00 176.91 178.78 2wpx h ALA 29 N 0.84 0.99 -0.33 6.32 0.00 -1.06 0.19 119.26 126.22 2wpx h ALA 29 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2wpx h ALA 29 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wpx h ALA 29 CO 0.00 0.52 0.03 1.25 0.00 0.00 0.00 179.25 181.05 2wpx h LEU 30 N 1.07 0.54 -0.70 0.00 7.12 -1.04 -2.98 115.31 119.33 2wpx h LEU 30 Ca 0.27 -0.28 -0.14 0.00 0.13 0.00 0.00 57.88 57.85 2wpx h LEU 30 Cb 0.07 -0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 2wpx h LEU 30 CO -0.04 0.69 -0.59 0.00 -0.13 0.00 0.00 178.44 178.37 2wpx h ALA 31 N 0.87 0.90 0.00 1.25 0.00 -0.38 -2.65 119.26 119.25 2wpx h ALA 31 Ca 0.10 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wpx h ALA 31 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wpx h ALA 31 CO 0.01 0.73 -0.00 0.00 0.00 0.00 0.00 179.25 179.99 2wpx h ALA 32 N 1.24 1.01 0.00 0.00 0.00 -0.48 -2.10 119.26 118.93 2wpx h ALA 32 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2wpx h ALA 32 Cb 1.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2wpx h ALA 32 CO 0.09 0.00 -0.24 0.93 0.00 0.00 0.00 179.25 180.03 2wpx h GLU 33 N 0.00 0.00 0.00 0.00 5.08 -1.39 -3.13 114.58 115.14 2wpx h GLU 33 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wpx h GLU 33 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wpx h GLU 33 CO 0.00 0.24 -0.01 0.25 -1.00 0.00 0.00 179.01 178.49 2wpx n THR 34 N -4.24 1.49 -1.08 1.13 -2.24 -0.98 -5.05 114.28 103.30 2wpx n THR 34 Ca -0.02 -1.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 2wpx n THR 34 Cb 0.30 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 2wpx n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpx n GLY 35 N -1.03 1.41 3.74 3.38 0.00 -0.83 -5.04 105.19 106.82 2wpx n GLY 35 Ca 0.09 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 2wpx n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wpx s PRO 36 N 2.54 2.34 -0.02 1.61 0.04 -1.26 -4.90 135.00 135.35 2wpx s PRO 36 Ca 0.00 1.53 -0.38 0.00 0.04 0.00 0.00 61.00 62.19 2wpx s PRO 36 Cb 0.00 -1.88 -0.16 0.00 0.04 0.00 0.00 34.50 32.50 2wpx s PRO 36 CO 0.00 -1.63 1.46 -2.13 0.04 0.00 0.00 177.00 174.73 2wpx n ARG 37 N -2.78 1.16 -3.53 4.56 0.63 -1.26 -4.92 116.66 110.52 2wpx n ARG 37 Ca 0.12 0.42 -0.10 0.00 -0.92 0.00 0.00 57.85 57.36 2wpx n ARG 37 Cb 0.51 -2.07 -0.03 0.00 0.45 0.00 0.00 32.46 31.31 2wpx n ARG 37 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wpx s ALA 38 N 1.36 -1.85 0.21 5.13 0.00 -1.26 -5.11 121.76 120.23 2wpx s ALA 38 Ca 0.88 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 53.77 2wpx s ALA 38 Cb -0.99 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.03 2wpx s ALA 38 CO 0.52 -0.53 1.47 0.00 0.00 0.00 0.00 175.76 177.22 2wpx s ALA 39 N -2.25 3.66 0.65 0.00 0.00 -1.26 -4.96 121.76 117.60 2wpx s ALA 39 Ca 0.01 1.31 -0.17 0.00 0.00 0.00 0.00 51.96 53.11 2wpx s ALA 39 Cb -0.01 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 2wpx s ALA 39 CO -0.04 -0.73 0.49 -2.30 0.00 0.00 0.00 175.76 173.18 2wpx n PRO 40 N 2.96 0.39 -1.94 0.00 -0.02 -1.26 -4.85 135.00 130.29 2wpx n PRO 40 Ca 0.09 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 2wpx n PRO 40 Cb 0.40 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 2wpx n PRO 40 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2wpx s PRO 41 N -2.39 4.22 -0.24 0.52 0.02 -1.26 -4.95 135.00 130.92 2wpx s PRO 41 Ca 0.66 2.38 -0.17 0.00 0.02 0.00 0.00 61.00 63.89 2wpx s PRO 41 Cb -0.39 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 2wpx s PRO 41 CO 0.57 -0.52 0.48 0.00 -0.33 0.00 0.00 177.00 177.20 2wpx h ASN 43 N 7.83 0.48 -0.30 0.00 2.35 -1.98 0.28 115.58 124.25 2wpx h ASN 43 Ca -0.31 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.41 2wpx h ASN 43 Cb 1.15 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2wpx h ASN 43 CO 0.71 0.35 0.10 0.58 -1.65 0.00 0.00 177.43 177.52 2wpx h VAL 44 N 0.57 1.19 0.18 2.81 2.07 -1.94 -0.42 116.25 120.71 2wpx h VAL 44 Ca 0.17 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2wpx h VAL 44 Cb -0.03 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2wpx h VAL 44 CO -0.04 0.20 -0.09 -0.78 0.02 0.00 0.00 177.57 176.89 2wpx h ASP 45 N 0.32 -0.20 0.08 0.57 -0.00 -1.24 -1.63 116.42 114.32 2wpx h ASP 45 Ca 0.10 -0.14 -0.00 0.00 -0.00 0.00 0.00 57.03 56.98 2wpx h ASP 45 Cb 0.22 0.05 0.00 0.00 -0.00 0.00 0.00 39.33 39.60 2wpx h ASP 45 CO -0.01 0.03 -0.04 0.24 -0.00 0.00 0.00 179.24 179.46 2wpx h MET 46 N -0.43 -0.11 -0.89 0.28 2.86 -0.43 0.26 114.93 116.47 2wpx h MET 46 Ca -0.02 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2wpx h MET 46 Cb 0.33 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 2wpx h MET 46 CO 0.04 0.06 0.50 0.28 1.06 0.00 0.00 176.91 178.85 2wpx h VAL 47 N -0.25 1.26 0.00 -2.22 2.07 -1.13 0.35 116.25 116.32 2wpx h VAL 47 Ca -0.01 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2wpx h VAL 47 Cb 0.21 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2wpx h VAL 47 CO 0.02 0.28 -0.13 1.23 0.02 0.00 0.00 177.57 178.99 2wpx h GLY 48 N 1.24 0.00 2.00 2.17 0.00 -1.03 -1.94 103.07 105.51 2wpx h GLY 48 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2wpx h GLY 48 CO -0.05 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.35 2wpx n SER 49 N -4.02 0.44 0.14 0.19 3.41 0.12 -1.56 113.62 112.34 2wpx n SER 49 Ca -0.02 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 2wpx n SER 49 Cb 0.21 -0.69 0.06 0.00 -0.26 0.00 0.00 64.21 63.53 2wpx n SER 49 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wpx h LEU 50 N 0.00 0.00 0.00 1.04 3.38 -1.19 -3.39 115.31 115.15 2wpx h LEU 50 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2wpx h LEU 50 Cb 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2wpx h LEU 50 CO 0.00 0.10 -2.34 0.54 0.09 0.00 0.00 178.44 176.83 2wpx n ARG 51 N -2.90 0.76 -3.78 1.13 1.74 -0.60 -4.82 116.66 108.18 2wpx n ARG 51 Ca 0.01 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 2wpx n ARG 51 Cb 0.59 -1.51 -0.16 0.00 -1.02 0.00 0.00 32.46 30.36 2wpx n ARG 51 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wpx s PHE 52 N -2.53 1.49 0.28 -1.55 0.40 -0.72 -5.13 117.98 110.23 2wpx s PHE 52 Ca -0.10 -1.26 0.01 0.00 -0.60 0.00 0.00 56.93 54.98 2wpx s PHE 52 Cb 0.06 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.25 2wpx s PHE 52 CO 0.82 -0.71 0.47 0.00 0.70 0.00 0.00 175.22 176.49 2wpx s ALA 53 N 1.70 3.78 1.05 5.36 0.00 -1.26 -4.65 121.76 127.74 2wpx s ALA 53 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2wpx s ALA 53 Cb -0.18 -2.01 0.22 0.00 0.00 0.00 0.00 23.12 21.16 2wpx s ALA 53 CO -0.11 0.17 1.09 -1.25 0.00 0.00 0.00 175.76 175.65 2wpx s PRO 54 N -3.95 -0.06 0.56 0.00 0.04 -1.26 -4.87 135.00 125.46 2wpx s PRO 54 Ca 0.38 1.23 -0.20 0.00 0.04 0.00 0.00 61.00 62.46 2wpx s PRO 54 Cb -0.10 -1.63 -0.06 0.00 0.04 0.00 0.00 34.50 32.75 2wpx s PRO 54 CO 0.32 -3.26 0.98 -2.30 0.04 0.00 0.00 177.00 172.78 2wpx n PRO 55 N -4.64 1.03 -4.20 0.56 -0.02 -1.26 -2.91 135.00 123.56 2wpx n PRO 55 Ca 0.07 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.61 2wpx n PRO 55 Cb 0.53 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 2wpx n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpx n ALA 56 N -1.43 -1.54 -3.26 3.55 0.00 -1.26 -4.91 120.51 111.67 2wpx n ALA 56 Ca 0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2wpx n ALA 56 Cb 0.45 -2.55 -0.13 0.00 0.00 0.00 0.00 19.45 17.22 2wpx n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wpx s THR 57 N -3.59 -0.02 -0.04 0.00 2.01 -1.15 -0.72 115.64 112.13 2wpx s THR 57 Ca 0.47 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 2wpx s THR 57 Cb -0.26 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 2wpx s THR 57 CO 0.94 0.03 0.15 0.00 -0.69 0.00 0.00 174.62 175.04 2wpx s ALA 58 N 0.45 3.86 0.10 7.40 0.00 -0.65 -4.71 121.76 128.23 2wpx s ALA 58 Ca -0.03 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2wpx s ALA 58 Cb -0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 2wpx s ALA 58 CO -0.02 0.70 0.20 -0.51 0.00 0.00 0.00 175.76 176.13 2wpx s LEU 59 N -1.62 4.17 -0.30 0.00 1.43 -1.26 -1.00 118.68 120.10 2wpx s LEU 59 Ca 0.23 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2wpx s LEU 59 Cb -0.12 -2.78 0.11 0.00 0.03 0.00 0.00 46.19 43.43 2wpx s LEU 59 CO 0.13 0.12 0.15 -0.62 0.23 0.00 0.00 176.35 176.36 2wpx s ASP 60 N -2.77 3.45 -0.07 2.29 -1.08 -0.80 -4.98 116.67 112.70 2wpx s ASP 60 Ca 0.33 -1.50 0.00 0.00 -0.52 0.00 0.00 52.55 50.86 2wpx s ASP 60 Cb -0.12 -0.39 -0.03 0.00 -1.46 0.00 0.00 42.92 40.92 2wpx s ASP 60 CO 0.26 -0.41 -0.06 -1.81 0.52 0.00 0.00 175.17 173.67 2wpx s ASP 61 N 1.85 4.73 -0.02 -0.34 1.01 -1.26 -1.85 116.67 120.79 2wpx s ASP 61 Ca 0.11 -0.00 -0.05 0.00 0.71 0.00 0.00 52.55 53.32 2wpx s ASP 61 Cb -0.18 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.53 2wpx s ASP 61 CO -0.28 0.36 0.11 0.26 0.21 0.00 0.00 175.17 175.83 2wpx s TRP 62 N -0.78 -0.03 0.37 4.23 0.52 -0.39 -1.34 118.94 121.52 2wpx s TRP 62 Ca 0.12 0.07 0.08 0.00 0.02 0.00 0.00 56.10 56.39 2wpx s TRP 62 Cb -0.11 -0.01 -0.04 0.00 -1.15 0.00 0.00 33.47 32.15 2wpx s TRP 62 CO 0.02 -0.16 0.17 0.14 0.02 0.00 0.00 176.95 177.13 2wpx s VAL 63 N -0.62 2.78 -0.01 4.03 -7.23 -0.43 -1.08 120.40 117.85 2wpx s VAL 63 Ca -0.07 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.50 2wpx s VAL 63 Cb -0.04 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 2wpx s VAL 63 CO 0.01 -0.12 -0.24 0.54 -0.31 0.00 0.00 175.10 174.98 2wpx s VAL 64 N -2.48 1.89 0.12 1.32 0.11 0.51 -1.40 120.40 120.46 2wpx s VAL 64 Ca 0.39 -1.07 0.10 0.00 -2.93 0.00 0.00 61.98 58.47 2wpx s VAL 64 Cb -0.01 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.23 2wpx s VAL 64 CO 0.23 0.48 -0.26 -0.13 -3.33 0.00 0.00 175.10 172.10 2wpx s ARG 65 N -0.69 1.51 -0.05 1.54 0.52 0.15 -0.13 118.95 121.80 2wpx s ARG 65 Ca 0.09 -1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 53.99 2wpx s ARG 65 Cb -0.09 -1.94 0.03 0.00 0.52 0.00 0.00 34.95 33.47 2wpx s ARG 65 CO -0.00 0.46 0.08 0.45 0.02 0.00 0.00 175.30 176.31 2wpx s SER 66 N -1.94 0.71 -1.52 0.23 0.15 0.17 -1.04 113.70 110.46 2wpx s SER 66 Ca 0.14 0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.88 2wpx s SER 66 Cb -0.10 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 2wpx s SER 66 CO 0.06 -0.21 0.66 0.61 1.20 0.00 0.00 173.24 175.55 2wpx n GLY 67 N 4.96 -0.52 2.96 9.45 0.00 -1.26 -2.48 105.19 118.30 2wpx n GLY 67 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wpx n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpx n GLY 68 N -1.54 2.11 3.63 -0.02 0.00 -1.26 -5.02 105.19 103.09 2wpx n GLY 68 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2wpx n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wpx s ARG 69 N -0.01 2.28 0.05 1.61 1.04 -1.04 -5.03 118.95 117.85 2wpx s ARG 69 Ca 0.00 -1.24 -0.30 0.00 -1.04 0.00 0.00 55.73 53.14 2wpx s ARG 69 Cb 0.00 -2.25 -0.05 0.00 -2.04 0.00 0.00 34.95 30.61 2wpx s ARG 69 CO 0.00 0.42 1.20 0.08 -0.04 0.00 0.00 175.30 176.96 2wpx s VAL 70 N -1.90 4.06 0.00 4.99 1.01 -1.26 -0.65 120.40 126.64 2wpx s VAL 70 Ca 0.28 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2wpx s VAL 70 Cb -0.08 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2wpx s VAL 70 CO 0.18 0.10 0.61 1.33 0.00 0.00 0.00 175.10 177.33 2wpx n VAL 71 N 4.00 0.33 -3.60 2.92 0.24 0.81 -4.91 118.33 118.13 2wpx n VAL 71 Ca 0.09 -0.58 0.01 0.00 -2.04 0.00 0.00 64.34 61.82 2wpx n VAL 71 Cb 0.46 0.94 -0.01 0.00 -1.47 0.00 0.00 33.84 33.77 2wpx n VAL 71 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wpx s GLY 72 N -0.33 -0.40 -0.07 7.63 0.00 -1.19 0.38 107.32 113.33 2wpx s GLY 72 Ca 0.00 0.98 -0.14 0.00 0.00 0.00 0.00 44.72 45.56 2wpx s GLY 72 CO 0.00 0.23 0.35 0.00 0.00 0.00 0.00 173.10 173.68 2wpx s ALA 73 N -2.31 -0.87 -0.04 3.20 0.00 -0.36 -0.36 121.76 121.03 2wpx s ALA 73 Ca 0.13 0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2wpx s ALA 73 Cb 0.04 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2wpx s ALA 73 CO -0.05 -0.23 -0.04 -1.17 0.00 0.00 0.00 175.76 174.28 2wpx s LEU 74 N -0.68 1.30 -0.05 0.00 2.96 -0.24 -1.02 118.68 120.95 2wpx s LEU 74 Ca -0.08 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2wpx s LEU 74 Cb -0.04 -0.42 0.01 0.00 0.50 0.00 0.00 46.19 46.23 2wpx s LEU 74 CO 0.03 -0.06 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.74 2wpx s ARG 75 N 0.94 1.53 -0.01 1.98 0.52 0.71 -1.26 118.95 123.36 2wpx s ARG 75 Ca -0.11 -0.43 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 2wpx s ARG 75 Cb -0.14 -1.31 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 2wpx s ARG 75 CO -0.00 0.10 -0.14 -0.51 0.02 0.00 0.00 175.30 174.77 2wpx s LEU 76 N 0.39 2.76 -0.11 2.53 1.43 -0.77 -0.92 118.68 124.00 2wpx s LEU 76 Ca -0.09 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2wpx s LEU 76 Cb -0.13 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2wpx s LEU 76 CO 0.02 0.31 -0.20 0.00 0.23 0.00 0.00 176.35 176.71 2wpx s ALA 77 N -0.83 2.34 -0.31 4.21 0.00 0.08 -1.91 121.76 125.33 2wpx s ALA 77 Ca 0.13 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2wpx s ALA 77 Cb -0.11 -0.97 0.06 0.00 0.00 0.00 0.00 23.12 22.11 2wpx s ALA 77 CO 0.03 0.27 0.02 -0.51 0.00 0.00 0.00 175.76 175.57 2wpx s LEU 78 N 0.35 4.12 0.11 0.00 2.01 -0.17 -1.22 118.68 123.89 2wpx s LEU 78 Ca -0.16 -1.48 -0.31 0.00 0.01 0.00 0.00 54.13 52.19 2wpx s LEU 78 Cb -0.17 -1.70 -0.08 0.00 0.01 0.00 0.00 46.19 44.24 2wpx s LEU 78 CO 0.08 -0.30 1.51 -2.84 1.01 0.00 0.00 176.35 175.80 2wpx s PRO 79 N 1.19 4.25 0.19 1.29 0.02 -1.26 -1.64 135.00 139.04 2wpx s PRO 79 Ca -0.02 2.22 -0.32 0.00 0.02 0.00 0.00 61.00 62.90 2wpx s PRO 79 Cb -0.20 -3.32 -0.15 0.00 0.02 0.00 0.00 34.50 30.84 2wpx s PRO 79 CO -0.03 -0.58 1.12 -0.25 -0.33 0.00 0.00 177.00 176.93 2wpx n ASP 80 N 4.46 1.23 0.00 2.53 10.43 0.10 -2.54 116.55 132.76 2wpx n ASP 80 Ca 0.13 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.64 2wpx n ASP 80 Cb 0.41 -1.22 0.00 0.00 1.84 0.00 0.00 41.12 42.15 2wpx n ASP 80 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wpx n GLY 81 N 1.89 0.38 3.60 0.44 0.00 -1.26 -4.99 105.19 105.24 2wpx n GLY 81 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2wpx n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpx s ALA 82 N -1.91 3.02 -1.65 4.61 0.00 -1.05 -5.02 121.76 119.75 2wpx s ALA 82 Ca 0.00 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.44 2wpx s ALA 82 Cb 0.00 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.47 2wpx s ALA 82 CO 0.00 0.39 0.94 -0.35 0.00 0.00 0.00 175.76 176.74 2wpx n PRO 83 N -0.31 1.30 -4.36 0.00 -0.04 -1.26 -4.85 135.00 125.48 2wpx n PRO 83 Ca -0.09 -0.35 -0.25 0.00 -0.04 0.00 0.00 63.50 62.77 2wpx n PRO 83 Cb 0.57 -1.24 -0.09 0.00 -0.04 0.00 0.00 33.50 32.70 2wpx n PRO 83 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wpx s THR 84 N -1.67 2.99 -0.05 0.52 2.01 -1.26 -1.43 115.64 116.75 2wpx s THR 84 Ca 0.06 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 60.05 2wpx s THR 84 Cb 0.04 -2.54 0.03 0.00 0.01 0.00 0.00 72.50 70.03 2wpx s THR 84 CO 0.04 -0.28 0.03 0.00 -0.69 0.00 0.00 174.62 173.71 2wpx s ALA 85 N -2.14 0.40 -0.21 7.40 0.00 0.32 -4.34 121.76 123.18 2wpx s ALA 85 Ca 0.28 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 2wpx s ALA 85 Cb -0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 2wpx s ALA 85 CO 0.16 -0.38 0.17 0.50 0.00 0.00 0.00 175.76 176.22 2wpx s ARG 86 N 1.82 4.15 -0.63 0.00 3.52 -0.35 -1.05 118.95 126.40 2wpx s ARG 86 Ca 0.01 -0.18 -0.26 0.00 -0.13 0.00 0.00 55.73 55.18 2wpx s ARG 86 Cb -0.12 -3.47 0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2wpx s ARG 86 CO -0.03 0.19 1.12 0.08 -0.81 0.00 0.00 175.30 175.84 2wpx s VAL 87 N 0.68 4.07 -0.21 7.11 1.01 0.22 -0.74 120.40 132.55 2wpx s VAL 87 Ca 0.09 0.41 0.18 0.00 0.00 0.00 0.00 61.98 62.66 2wpx s VAL 87 Cb -0.12 -4.73 0.04 0.00 0.00 0.00 0.00 36.38 31.57 2wpx s VAL 87 CO 0.02 -1.45 1.22 0.44 0.00 0.00 0.00 175.10 175.33 2wpx h ASP 88 N 9.63 0.00 -3.67 3.32 3.45 -1.36 -3.43 116.42 124.37 2wpx h ASP 88 Ca -0.27 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.09 2wpx h ASP 88 Cb 1.06 0.00 -0.24 0.00 -0.56 0.00 0.00 39.33 39.59 2wpx h ASP 88 CO 1.19 0.35 -0.20 -1.58 -1.57 0.00 0.00 179.24 177.43 2wpx s GLN 89 N -3.06 0.51 -0.28 3.56 0.74 -1.10 -4.93 119.66 115.09 2wpx s GLN 89 Ca 0.02 0.71 0.01 0.00 0.05 0.00 0.00 55.36 56.15 2wpx s GLN 89 Cb 0.08 0.18 0.15 0.00 1.10 0.00 0.00 33.01 34.51 2wpx s GLN 89 CO 0.76 -0.09 0.37 -1.17 -0.55 0.00 0.00 175.29 174.61 2wpx s LEU 90 N 0.64 -0.62 -0.02 3.68 0.20 -1.25 -0.21 118.68 121.09 2wpx s LEU 90 Ca -0.03 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.45 2wpx s LEU 90 Cb -0.05 0.96 -0.00 0.00 -0.43 0.00 0.00 46.19 46.66 2wpx s LEU 90 CO -0.04 -0.35 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.32 2wpx s LEU 91 N 2.50 1.92 -0.07 -0.68 0.20 -0.19 -4.99 118.68 117.37 2wpx s LEU 91 Ca 0.10 -0.25 0.04 0.00 0.69 0.00 0.00 54.13 54.71 2wpx s LEU 91 Cb -0.13 -0.71 0.00 0.00 -0.43 0.00 0.00 46.19 44.92 2wpx s LEU 91 CO -0.28 0.13 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.03 2wpx s VAL 92 N -0.07 1.61 -0.02 1.68 1.01 -1.26 -1.22 120.40 122.12 2wpx s VAL 92 Ca 0.01 -0.77 -0.39 0.00 0.00 0.00 0.00 61.98 60.83 2wpx s VAL 92 Cb -0.08 -1.41 -0.18 0.00 0.00 0.00 0.00 36.38 34.72 2wpx s VAL 92 CO 0.00 0.46 1.32 1.57 0.00 0.00 0.00 175.10 178.46 2wpx n HIS 93 N 3.52 1.33 -0.21 5.22 -0.00 0.16 -4.82 115.22 120.42 2wpx n HIS 93 Ca -0.20 0.78 0.30 0.00 0.46 0.00 0.00 57.72 59.06 2wpx n HIS 93 Cb 0.52 -2.27 0.73 0.00 -0.12 0.00 0.00 29.99 28.86 2wpx n HIS 93 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2wpx h PRO 94 N 4.43 0.00 -0.00 1.57 0.11 -1.92 0.20 132.00 136.38 2wpx h PRO 94 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wpx h PRO 94 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2wpx h PRO 94 CO 0.77 0.00 -0.31 0.41 -0.21 0.00 0.00 178.00 178.66 2wpx n GLY 95 N -1.73 -1.20 1.10 -0.55 0.00 -1.26 -4.19 105.19 97.36 2wpx n GLY 95 Ca 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2wpx n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpx n ARG 96 N -1.34 1.86 -2.99 1.61 5.12 0.69 -5.07 116.66 116.53 2wpx n ARG 96 Ca 0.08 -3.36 -0.31 0.00 -1.93 0.00 0.00 57.85 52.33 2wpx n ARG 96 Cb 0.33 -1.58 -0.04 0.00 -1.16 0.00 0.00 32.46 30.01 2wpx n ARG 96 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2wpx s ARG 97 N -2.97 3.81 -1.07 5.56 3.00 -1.21 -4.15 118.95 121.92 2wpx s ARG 97 Ca 0.40 0.45 -0.07 0.00 0.00 0.00 0.00 55.73 56.51 2wpx s ARG 97 Cb 0.38 -2.44 0.01 0.00 0.00 0.00 0.00 34.95 32.90 2wpx s ARG 97 CO -0.06 0.05 0.94 0.54 0.00 0.00 0.00 175.30 176.77 2wpx n ARG 98 N -1.00 -6.32 0.00 3.54 5.12 -1.26 -4.90 116.66 111.84 2wpx n ARG 98 Ca 0.02 0.66 0.00 0.00 -1.93 0.00 0.00 57.85 56.60 2wpx n ARG 98 Cb 0.54 -5.18 0.00 0.00 -1.16 0.00 0.00 32.46 26.66 2wpx n ARG 98 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2wpx n ARG 99 N -4.07 -0.28 -0.16 5.56 3.00 -1.26 -4.99 116.66 114.47 2wpx n ARG 99 Ca 0.01 -0.35 0.00 0.00 -0.00 0.00 0.00 57.85 57.50 2wpx n ARG 99 Cb 0.55 -0.84 0.00 0.00 0.00 0.00 0.00 32.46 32.17 2wpx n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wpx n GLY 100 N 0.06 0.61 0.27 5.14 0.00 -1.26 -3.87 105.19 106.13 2wpx n GLY 100 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2wpx n GLY 100 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wpx h ILE 101 N 0.00 0.54 -0.74 -0.61 2.04 -1.94 0.49 117.51 117.29 2wpx h ILE 101 Ca 0.00 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.79 2wpx h ILE 101 Cb 0.00 0.64 -0.14 0.00 -0.74 0.00 0.00 36.82 36.58 2wpx h ILE 101 CO 0.00 0.04 -0.27 1.23 0.00 0.00 0.00 178.15 179.14 2wpx h GLY 102 N -0.73 0.25 0.91 5.37 0.00 -1.94 0.20 103.07 107.13 2wpx h GLY 102 Ca -0.06 0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 2wpx h GLY 102 CO 0.10 -0.25 -0.12 -0.09 0.00 0.00 0.00 176.54 176.18 2wpx h ARG 103 N -0.06 -0.29 -0.68 4.80 2.43 -1.89 0.10 114.38 118.78 2wpx h ARG 103 Ca 0.32 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.62 2wpx h ARG 103 Cb 0.57 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.14 2wpx h ARG 103 CO -0.78 -0.19 0.46 0.00 -1.51 0.00 0.00 179.97 177.94 2wpx h ALA 104 N 0.51 2.00 -0.41 2.80 0.00 0.28 -0.35 119.26 124.09 2wpx h ALA 104 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2wpx h ALA 104 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2wpx h ALA 104 CO 0.00 -0.16 -0.32 -0.07 0.00 0.00 0.00 179.25 178.70 2wpx h LEU 105 N 0.47 0.96 -0.78 0.00 3.38 0.62 -0.83 115.31 119.14 2wpx h LEU 105 Ca 0.32 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2wpx h LEU 105 Cb 0.62 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2wpx h LEU 105 CO -0.10 1.19 0.39 -0.25 0.09 0.00 0.00 178.44 179.76 2wpx h TRP 106 N 0.77 1.11 -0.69 1.13 2.91 0.00 0.16 115.95 121.33 2wpx h TRP 106 Ca 0.08 -0.05 -0.06 0.00 1.13 0.00 0.00 58.89 60.00 2wpx h TRP 106 Cb 0.89 -0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 29.17 2wpx h TRP 106 CO 0.06 0.80 0.21 0.00 -1.03 0.00 0.00 178.44 178.48 2wpx h ALA 107 N 1.20 0.91 -0.60 2.65 0.00 -0.74 -1.35 119.26 121.33 2wpx h ALA 107 Ca 0.27 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2wpx h ALA 107 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wpx h ALA 107 CO -0.04 0.59 0.08 1.25 0.00 0.00 0.00 179.25 181.13 2wpx h HIS 108 N 1.02 1.04 0.08 0.00 -0.00 -0.60 -2.22 115.15 114.46 2wpx h HIS 108 Ca 0.22 -0.14 0.02 0.00 -0.00 0.00 0.00 60.37 60.48 2wpx h HIS 108 Cb 0.30 -0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 2wpx h HIS 108 CO 0.02 0.89 -0.29 0.00 -0.00 0.00 0.00 177.93 178.55 2wpx h ALA 109 N 1.16 -0.47 -0.26 5.26 0.00 0.09 0.17 119.26 125.22 2wpx h ALA 109 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wpx h ALA 109 Cb 0.43 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wpx h ALA 109 CO 0.01 -0.82 0.09 0.00 0.00 0.00 0.00 179.25 178.53 2wpx h ARG 110 N -0.48 0.36 -0.21 0.00 3.08 -1.18 -0.44 114.38 115.50 2wpx h ARG 110 Ca 0.04 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 2wpx h ARG 110 Cb 0.53 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2wpx h ARG 110 CO -0.20 0.32 -0.50 1.49 -1.07 0.00 0.00 179.97 180.01 2wpx h GLU 111 N 0.37 0.72 -0.36 0.04 4.81 -0.82 -1.98 114.58 117.34 2wpx h GLU 111 Ca 0.09 -0.49 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 2wpx h GLU 111 Cb 0.11 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2wpx h GLU 111 CO -0.01 1.11 -0.09 -0.07 -0.73 0.00 0.00 179.01 179.22 2wpx h LEU 112 N 0.43 0.60 -0.33 1.64 3.38 -0.04 -0.58 115.31 120.42 2wpx h LEU 112 Ca -0.00 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2wpx h LEU 112 Cb 1.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2wpx h LEU 112 CO 0.11 0.74 -0.18 0.00 0.09 0.00 0.00 178.44 179.20 2wpx h ALA 113 N 1.33 0.47 -0.80 1.53 0.00 -1.10 -1.49 119.26 119.19 2wpx h ALA 113 Ca 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2wpx h ALA 113 Cb 0.51 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2wpx h ALA 113 CO 0.03 0.40 0.48 -0.09 0.00 0.00 0.00 179.25 180.06 2wpx h ARG 114 N 0.48 1.10 -0.57 0.00 2.43 -1.21 0.86 114.38 117.46 2wpx h ARG 114 Ca 0.07 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 2wpx h ARG 114 Cb 0.72 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2wpx h ARG 114 CO 0.05 0.78 0.19 -0.22 -1.51 0.00 0.00 179.97 179.26 2wpx h LYS 115 N 1.10 0.85 -0.44 0.20 3.64 -0.82 -1.71 116.57 119.39 2wpx h LYS 115 Ca 0.29 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2wpx h LYS 115 Cb -0.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2wpx h LYS 115 CO -0.05 0.72 0.00 0.72 -2.27 0.00 0.00 179.45 178.57 2wpx n HIS 116 N -4.30 0.35 -2.05 1.91 8.25 -0.59 -4.89 115.22 113.90 2wpx n HIS 116 Ca 0.05 -0.15 -0.18 0.00 -0.26 0.00 0.00 57.72 57.18 2wpx n HIS 116 Cb 0.19 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 2wpx n HIS 116 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2wpx n ASP 117 N 0.09 -5.13 -4.78 0.41 8.00 -0.64 -4.99 116.55 109.50 2wpx n ASP 117 Ca 0.07 0.14 -0.38 0.00 0.71 0.00 0.00 54.79 55.32 2wpx n ASP 117 Cb 0.28 -4.20 -0.06 0.00 -0.02 0.00 0.00 41.12 37.11 2wpx n ASP 117 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2wpx s ARG 118 N -4.40 4.18 -0.02 -1.24 3.00 0.22 -4.86 118.95 115.83 2wpx s ARG 118 Ca 0.00 0.54 0.09 0.00 0.00 0.00 0.00 55.73 56.36 2wpx s ARG 118 Cb 0.00 -3.32 -0.23 0.00 0.00 0.00 0.00 34.95 31.40 2wpx s ARG 118 CO 0.00 0.45 0.77 1.15 0.00 0.00 0.00 175.30 177.66 2wpx h THR 119 N 4.09 1.00 -4.37 0.02 2.02 -1.54 -3.36 112.91 110.77 2wpx h THR 119 Ca -0.47 -2.81 -0.58 0.00 0.77 0.00 0.00 66.41 63.33 2wpx h THR 119 Cb 1.20 2.52 -0.29 0.00 -1.74 0.00 0.00 68.15 69.84 2wpx h THR 119 CO 0.68 0.61 -0.85 -0.89 0.37 0.00 0.00 175.52 175.45 2wpx s THR 120 N -2.62 1.51 -0.15 3.16 2.01 -1.02 -0.58 115.64 117.95 2wpx s THR 120 Ca -0.05 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 2wpx s THR 120 Cb 0.08 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2wpx s THR 120 CO 0.82 0.43 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.89 2wpx s LEU 121 N -0.45 3.04 0.23 4.42 2.96 -0.13 -0.53 118.68 128.23 2wpx s LEU 121 Ca 0.07 -0.21 0.11 0.00 -0.22 0.00 0.00 54.13 53.88 2wpx s LEU 121 Cb -0.07 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 2wpx s LEU 121 CO -0.01 0.16 -0.20 0.42 -1.32 0.00 0.00 176.35 175.40 2wpx s THR 122 N 0.41 2.55 0.04 3.68 -4.23 -0.22 -0.88 115.64 116.98 2wpx s THR 122 Ca -0.06 -2.15 -0.22 0.00 -1.18 0.00 0.00 61.69 58.08 2wpx s THR 122 Cb -0.15 -2.28 0.05 0.00 1.34 0.00 0.00 72.50 71.46 2wpx s THR 122 CO 0.04 -0.25 0.51 0.00 -0.54 0.00 0.00 174.62 174.38 2wpx s ALA 123 N -2.06 -1.29 -0.15 3.99 0.00 0.06 -0.61 121.76 121.72 2wpx s ALA 123 Ca 0.26 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 2wpx s ALA 123 Cb -0.07 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2wpx s ALA 123 CO 0.13 -0.47 -0.08 0.99 0.00 0.00 0.00 175.76 176.32 2wpx s THR 124 N -2.28 3.48 -0.06 0.00 2.01 -1.26 0.23 115.64 117.75 2wpx s THR 124 Ca -0.06 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.48 2wpx s THR 124 Cb -0.01 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2wpx s THR 124 CO -0.00 0.51 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.51 2wpx s VAL 125 N 0.39 1.89 -0.29 3.82 1.01 0.60 -4.90 120.40 122.92 2wpx s VAL 125 Ca -0.07 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 2wpx s VAL 125 Cb -0.15 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2wpx s VAL 125 CO 0.04 0.53 1.09 -0.69 0.00 0.00 0.00 175.10 176.07 2wpx s VAL 126 N 0.02 4.52 0.40 2.92 1.01 -1.26 -0.07 120.40 127.94 2wpx s VAL 126 Ca -0.07 1.78 0.03 0.00 0.00 0.00 0.00 61.98 63.72 2wpx s VAL 126 Cb -0.14 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 2wpx s VAL 126 CO 0.05 -0.39 0.10 -1.61 0.00 0.00 0.00 175.10 173.25 2wpx s GLU 127 N 3.57 1.91 0.32 2.72 2.02 -0.55 -4.63 118.70 124.05 2wpx s GLU 127 Ca 0.46 -2.16 -0.26 0.00 0.02 0.00 0.00 54.97 53.03 2wpx s GLU 127 Cb -0.13 -0.75 -0.10 0.00 0.10 0.00 0.00 34.13 33.24 2wpx s GLU 127 CO 0.13 -0.42 0.94 -1.12 0.02 0.00 0.00 175.26 174.82 2wpx s SER 128 N -3.61 7.36 0.38 -0.19 0.01 -1.26 -0.73 113.70 115.66 2wpx s SER 128 Ca 0.24 1.85 -0.24 0.00 1.31 0.00 0.00 55.95 59.11 2wpx s SER 128 Cb 0.04 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.59 2wpx s SER 128 CO 0.13 -0.05 1.01 -0.76 0.41 0.00 0.00 173.24 173.98 2wpx s LEU 129 N -1.99 4.16 0.00 2.44 1.02 -1.26 -4.69 118.68 118.37 2wpx s LEU 129 Ca 0.49 1.94 0.00 0.00 0.02 0.00 0.00 54.13 56.58 2wpx s LEU 129 Cb -0.19 -4.19 0.00 0.00 0.02 0.00 0.00 46.19 41.83 2wpx s LEU 129 CO 0.24 -0.37 0.05 -0.81 0.02 0.00 0.00 176.35 175.49 2wpx n PRO 130 N 0.01 0.05 0.00 1.29 -0.04 -1.26 -2.28 135.00 132.78 2wpx n PRO 130 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2wpx n PRO 130 Cb 0.50 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 2wpx n PRO 130 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wpx n SER 131 N 0.85 0.00 -3.19 3.54 3.41 -1.26 -5.14 113.62 111.83 2wpx n SER 131 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 2wpx n SER 131 Cb 0.02 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.19 2wpx n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wpx n GLY 132 N -0.21 -3.66 3.76 5.00 0.00 -0.97 -4.89 105.19 104.24 2wpx n GLY 132 Ca 0.00 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 2wpx n GLY 132 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wpx n PRO 133 N -4.68 2.67 -1.70 1.61 -0.02 -1.26 -4.72 135.00 126.90 2wpx n PRO 133 Ca 0.11 0.94 -0.44 0.00 -2.02 0.00 0.00 63.50 62.09 2wpx n PRO 133 Cb 0.45 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 2wpx n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpx n ALA 134 N 1.00 2.16 -2.65 3.55 0.00 -1.26 -4.59 120.51 118.72 2wpx n ALA 134 Ca 0.04 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 2wpx n ALA 134 Cb 0.38 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.35 2wpx n ALA 134 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wpx s GLN 135 N 1.12 2.94 0.12 0.00 -1.52 -1.26 -5.04 119.66 116.02 2wpx s GLN 135 Ca 0.77 -1.11 -0.31 0.00 -1.95 0.00 0.00 55.36 52.76 2wpx s GLN 135 Cb -0.58 -2.62 -0.11 0.00 -0.22 0.00 0.00 33.01 29.48 2wpx s GLN 135 CO 0.35 0.22 1.84 -3.47 -0.25 0.00 0.00 175.29 173.98 2wpx n ASP 136 N -1.37 4.05 -0.03 5.90 4.64 -1.26 -4.82 116.55 123.65 2wpx n ASP 136 Ca -0.04 0.98 0.15 0.00 -1.38 0.00 0.00 54.79 54.50 2wpx n ASP 136 Cb 0.59 -1.54 0.70 0.00 -1.04 0.00 0.00 41.12 39.82 2wpx n ASP 136 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wpx n PRO 137 N 5.69 0.44 -0.11 -0.67 -0.04 -1.26 -4.20 135.00 134.85 2wpx n PRO 137 Ca 0.18 -0.06 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 2wpx n PRO 137 Cb 0.37 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.27 2wpx n PRO 137 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2wpx h GLY 138 N 4.99 -0.70 0.57 0.55 0.00 -1.93 -1.00 103.07 105.54 2wpx h GLY 138 Ca 0.00 0.59 0.06 0.00 0.00 0.00 0.00 47.33 47.98 2wpx h GLY 138 CO 0.00 -0.17 0.16 -2.55 0.00 0.00 0.00 176.54 173.98 2wpx h PRO 139 N -0.38 0.32 -0.60 4.80 0.11 -1.86 0.15 132.00 134.54 2wpx h PRO 139 Ca 0.11 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 2wpx h PRO 139 Cb 0.60 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 2wpx h PRO 139 CO -0.56 0.21 0.07 0.00 -0.21 0.00 0.00 178.00 177.52 2wpx h ALA 140 N 1.31 0.98 -0.79 -0.75 0.00 -1.77 -0.16 119.26 118.07 2wpx h ALA 140 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2wpx h ALA 140 Cb 0.22 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2wpx h ALA 140 CO -0.23 0.64 0.38 0.00 0.00 0.00 0.00 179.25 180.04 2wpx h ALA 141 N 1.13 1.02 -0.01 0.00 0.00 -0.14 -1.45 119.26 119.81 2wpx h ALA 141 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wpx h ALA 141 Cb 0.45 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wpx h ALA 141 CO 0.02 0.59 0.00 0.35 0.00 0.00 0.00 179.25 180.21 2wpx h PHE 142 N 1.12 0.02 -0.89 0.00 3.57 -0.54 -0.34 116.94 119.89 2wpx h PHE 142 Ca 0.27 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.83 2wpx h PHE 142 Cb 0.13 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 2wpx h PHE 142 CO 0.01 0.21 0.56 0.00 -2.23 0.00 0.00 178.31 176.86 2wpx h ALA 143 N 0.81 1.22 -0.69 2.41 0.00 -0.83 0.13 119.26 122.31 2wpx h ALA 143 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2wpx h ALA 143 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2wpx h ALA 143 CO -0.00 0.33 0.32 0.00 0.00 0.00 0.00 179.25 179.90 2wpx h ALA 144 N 1.41 0.89 0.00 0.00 0.00 -1.19 -1.38 119.26 118.99 2wpx h ALA 144 Ca 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2wpx h ALA 144 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wpx h ALA 144 CO -0.17 0.46 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 2wpx h ALA 145 N 1.15 1.01 -0.01 0.00 0.00 0.96 -0.86 119.26 121.51 2wpx h ALA 145 Ca 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wpx h ALA 145 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wpx h ALA 145 CO -0.03 0.08 -0.01 -1.33 0.00 0.00 0.00 179.25 177.95 2wpx n MET 146 N -3.17 1.44 -0.66 0.00 2.81 0.16 -4.93 117.12 112.76 2wpx n MET 146 Ca 0.01 -0.68 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 2wpx n MET 146 Cb 0.35 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2wpx n MET 146 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wpx n GLY 147 N 1.14 0.69 3.83 3.03 0.00 -0.33 -5.07 105.19 108.49 2wpx n GLY 147 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 2wpx n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpx s ALA 148 N -2.16 2.68 0.05 4.61 0.00 -0.54 -4.76 121.76 121.64 2wpx s ALA 148 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 51.96 51.99 2wpx s ALA 148 Cb 0.00 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2wpx s ALA 148 CO 0.00 -1.23 -0.11 -1.01 0.00 0.00 0.00 175.76 173.41 2wpx s HIS 149 N -3.10 0.91 0.11 0.00 3.76 0.56 -4.34 115.29 113.19 2wpx s HIS 149 Ca 0.58 -0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 54.73 2wpx s HIS 149 Cb -0.14 -0.53 -0.06 0.00 1.11 0.00 0.00 32.58 32.97 2wpx s HIS 149 CO 0.55 -0.02 1.11 1.03 -0.85 0.00 0.00 174.74 176.56 2wpx s ARG 150 N -1.56 4.54 0.51 1.40 0.52 -1.26 -1.22 118.95 121.88 2wpx s ARG 150 Ca -0.06 1.68 -0.20 0.00 -0.52 0.00 0.00 55.73 56.63 2wpx s ARG 150 Cb -0.10 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 31.97 2wpx s ARG 150 CO 0.01 -0.06 1.07 -1.12 0.02 0.00 0.00 175.30 175.23 2wpx s SER 151 N 0.49 6.10 -1.40 0.23 0.01 -0.34 -4.91 113.70 113.88 2wpx s SER 151 Ca 0.53 2.02 -0.08 0.00 1.31 0.00 0.00 55.95 59.72 2wpx s SER 151 Cb -0.28 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.46 2wpx s SER 151 CO 0.32 -0.95 2.37 -0.67 0.41 0.00 0.00 173.24 174.71 2wpx n ASP 152 N -1.11 6.96 -4.12 2.44 4.64 -1.26 -4.86 116.55 119.23 2wpx n ASP 152 Ca 0.10 -2.97 -0.09 0.00 -1.38 0.00 0.00 54.79 50.45 2wpx n ASP 152 Cb 0.52 -1.47 -0.10 0.00 -1.04 0.00 0.00 41.12 39.03 2wpx n ASP 152 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2wpx s ILE 153 N 0.52 0.47 0.24 5.18 -4.36 -1.26 -5.12 121.20 116.88 2wpx s ILE 153 Ca 0.53 -1.77 -0.31 0.00 -0.26 0.00 0.00 60.65 58.84 2wpx s ILE 153 Cb 0.16 -1.46 -0.13 0.00 1.25 0.00 0.00 42.46 42.28 2wpx s ILE 153 CO -0.06 -0.86 1.48 -2.65 0.24 0.00 0.00 174.94 173.08 2wpx n PRO 154 N 0.22 2.21 -1.84 0.37 -0.02 -1.26 -4.86 135.00 129.83 2wpx n PRO 154 Ca -0.14 0.79 -0.30 0.00 -2.02 0.00 0.00 63.50 61.83 2wpx n PRO 154 Cb 0.60 -2.49 0.05 0.00 -0.02 0.00 0.00 33.50 31.64 2wpx n PRO 154 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpx s ALA 155 N 0.10 2.81 -0.06 3.55 0.00 -1.26 -4.77 121.76 122.12 2wpx s ALA 155 Ca 0.69 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 2wpx s ALA 155 Cb -0.62 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2wpx s ALA 155 CO 0.48 -1.21 0.46 0.20 0.00 0.00 0.00 175.76 175.68 2wpx s GLY 156 N -4.29 2.45 -0.30 0.00 0.00 -0.66 0.04 107.32 104.55 2wpx s GLY 156 Ca 0.58 -0.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.95 2wpx s GLY 156 CO 0.52 0.51 0.46 -1.59 0.00 0.00 0.00 173.10 173.01 2wpx s THR 157 N -0.14 5.09 -0.26 0.90 2.01 0.20 0.03 115.64 123.47 2wpx s THR 157 Ca 0.25 0.54 -0.13 0.00 0.31 0.00 0.00 61.69 62.66 2wpx s THR 157 Cb -0.16 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2wpx s THR 157 CO 0.12 -0.01 0.27 -2.28 -0.69 0.00 0.00 174.62 172.03 2wpx s HIS 158 N 2.24 3.26 0.13 4.92 2.46 -0.57 -1.74 115.29 126.00 2wpx s HIS 158 Ca 0.18 0.28 0.10 0.00 0.47 0.00 0.00 55.06 56.09 2wpx s HIS 158 Cb -0.16 -2.44 -0.04 0.00 -0.13 0.00 0.00 32.58 29.82 2wpx s HIS 158 CO 0.11 -0.13 -0.23 -0.65 -2.47 0.00 0.00 174.74 171.37 2wpx s GLN 159 N 1.69 1.31 -0.03 2.88 -0.21 0.60 -0.99 119.66 124.91 2wpx s GLN 159 Ca 0.11 -1.32 0.06 0.00 0.02 0.00 0.00 55.36 54.23 2wpx s GLN 159 Cb -0.15 -1.65 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 2wpx s GLN 159 CO 0.09 0.38 -0.21 -1.58 -2.12 0.00 0.00 175.29 171.85 2wpx s TRP 160 N -1.32 1.93 -0.21 0.91 0.52 0.34 -2.24 118.94 118.88 2wpx s TRP 160 Ca 0.13 -0.43 -0.02 0.00 0.02 0.00 0.00 56.10 55.80 2wpx s TRP 160 Cb -0.09 -1.26 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2wpx s TRP 160 CO 0.06 -0.08 -0.10 -1.17 0.02 0.00 0.00 176.95 175.68 2wpx s LEU 161 N -0.35 2.65 -0.47 2.99 2.96 -0.02 -0.29 118.68 126.14 2wpx s LEU 161 Ca 0.04 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 2wpx s LEU 161 Cb -0.10 -1.63 0.11 0.00 0.50 0.00 0.00 46.19 45.07 2wpx s LEU 161 CO 0.00 -0.03 0.34 -0.62 -1.32 0.00 0.00 176.35 174.73 2wpx s ASP 162 N 1.39 5.74 0.66 3.68 -1.08 -1.26 -1.09 116.67 124.71 2wpx s ASP 162 Ca 0.05 -1.83 0.27 0.00 -0.52 0.00 0.00 52.55 50.51 2wpx s ASP 162 Cb -0.14 -2.02 1.46 0.00 -1.46 0.00 0.00 42.92 40.75 2wpx s ASP 162 CO -0.07 -0.68 1.82 -0.07 0.52 0.00 0.00 175.17 176.69 2wpx h LEU 163 N 8.48 0.00 0.00 -1.34 4.07 -1.11 0.59 115.31 126.01 2wpx h LEU 163 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.74 2wpx h LEU 163 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 2wpx h LEU 163 CO 0.86 0.00 -0.25 0.47 -1.08 0.00 0.00 178.44 178.44 2wpx n ASP 164 N -2.90 0.78 -0.10 -0.43 10.43 -1.26 -3.65 116.55 119.42 2wpx n ASP 164 Ca -0.01 0.39 -0.09 0.00 2.57 0.00 0.00 54.79 57.65 2wpx n ASP 164 Cb 0.46 -0.42 -0.16 0.00 1.84 0.00 0.00 41.12 42.85 2wpx n ASP 164 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 2wpx n ARG 165 N -2.21 0.72 -3.66 -1.24 0.63 0.19 -4.98 116.66 106.11 2wpx n ARG 165 Ca 0.05 -0.02 -0.06 0.00 -0.92 0.00 0.00 57.85 56.90 2wpx n ARG 165 Cb 0.44 -1.52 -0.07 0.00 0.45 0.00 0.00 32.46 31.76 2wpx n ARG 165 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2wpx s HIS 166 N -2.53 -1.00 -0.60 -0.14 5.04 -0.36 -5.07 115.29 110.63 2wpx s HIS 166 Ca -0.10 1.84 -0.17 0.00 -1.54 0.00 0.00 55.06 55.09 2wpx s HIS 166 Cb 0.06 0.51 0.13 0.00 0.04 0.00 0.00 32.58 33.32 2wpx s HIS 166 CO 0.83 -0.54 0.62 0.34 -2.34 0.00 0.00 174.74 173.65 2wpx s ASP 167 N 2.54 6.26 0.13 9.88 3.68 -1.26 -4.05 116.67 133.86 2wpx s ASP 167 Ca -0.04 -1.77 0.18 0.00 2.13 0.00 0.00 52.55 53.05 2wpx s ASP 167 Cb -0.11 -2.25 0.78 0.00 -1.45 0.00 0.00 42.92 39.89 2wpx s ASP 167 CO -0.16 -0.93 1.57 -0.81 0.13 0.00 0.00 175.17 174.98 2wpx n PRO 168 N 5.53 0.09 -0.25 4.34 -0.04 -1.26 -1.94 135.00 141.47 2wpx n PRO 168 Ca -0.08 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 2wpx n PRO 168 Cb 0.42 -1.69 0.25 0.00 -0.04 0.00 0.00 33.50 32.44 2wpx n PRO 168 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wpx n LEU 169 N -1.86 3.64 0.16 1.53 4.32 -1.26 -4.43 117.00 119.10 2wpx n LEU 169 Ca 0.03 -1.68 0.15 0.00 -0.02 0.00 0.00 56.01 54.48 2wpx n LEU 169 Cb 0.19 -0.33 0.72 0.00 -1.62 0.00 0.00 43.42 42.38 2wpx n LEU 169 CO 0.16 0.83 1.13 0.00 -1.22 0.00 0.00 177.39 178.29 2wpx h ALA 170 N 4.39 2.08 -0.86 -1.18 0.00 -1.81 -1.25 119.26 120.64 2wpx h ALA 170 Ca 0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 2wpx h ALA 170 Cb 0.99 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.46 2wpx h ALA 170 CO 0.00 -0.29 0.13 -0.25 0.00 0.00 0.00 179.25 178.84 2wpx n ASP 171 N -4.25 6.14 -0.52 0.00 8.00 -1.26 -5.07 116.55 119.58 2wpx n ASP 171 Ca 0.02 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.75 2wpx n ASP 171 Cb 0.32 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 2wpx n ASP 171 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wpx n GLY 172 N -0.86 -0.20 3.76 0.44 0.00 -0.47 -4.72 105.19 103.14 2wpx n GLY 172 Ca 0.53 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 2wpx n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wpx s VAL 173 N 0.00 4.87 0.96 1.61 1.01 -1.26 -4.78 120.40 122.81 2wpx s VAL 173 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2wpx s VAL 173 Cb 0.00 -3.10 0.17 0.00 0.00 0.00 0.00 36.38 33.46 2wpx s VAL 173 CO 0.00 0.60 1.12 -2.84 0.00 0.00 0.00 175.10 173.98 2wpx s PRO 174 N -0.84 0.65 0.48 2.72 0.02 -1.26 -4.98 135.00 131.79 2wpx s PRO 174 Ca 0.13 1.39 -0.22 0.00 0.02 0.00 0.00 61.00 62.33 2wpx s PRO 174 Cb -0.12 -1.70 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 2wpx s PRO 174 CO 0.03 -2.83 1.11 0.00 -0.33 0.00 0.00 177.00 174.98 2wpx s ALA 175 N -2.62 2.90 -0.14 -1.55 0.00 -1.26 -4.99 121.76 114.09 2wpx s ALA 175 Ca 0.67 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 53.13 2wpx s ALA 175 Cb -0.23 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 2wpx s ALA 175 CO 0.59 -0.54 1.20 0.08 0.00 0.00 0.00 175.76 177.09 2wpx s VAL 176 N -1.72 4.37 0.58 0.00 1.01 -1.26 -5.01 120.40 118.37 2wpx s VAL 176 Ca 0.66 1.66 -0.18 0.00 0.00 0.00 0.00 61.98 64.12 2wpx s VAL 176 Cb -0.24 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 2wpx s VAL 176 CO 0.28 -0.10 0.34 -2.65 0.00 0.00 0.00 175.10 172.98 2wpx n PRO 177 N 6.10 0.36 -1.82 2.72 -0.02 -1.26 -4.85 135.00 136.23 2wpx n PRO 177 Ca 0.13 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 2wpx n PRO 177 Cb 0.46 -1.53 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 2wpx n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpx s ALA 178 N -1.81 3.75 0.00 3.55 0.00 -1.26 -2.16 121.76 123.83 2wpx s ALA 178 Ca 0.65 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.13 2wpx s ALA 178 Cb -0.44 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2wpx s ALA 178 CO 0.58 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2wpx n GLY 179 N 2.48 0.90 3.69 0.00 0.00 -1.26 -5.06 105.19 105.95 2wpx n GLY 179 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2wpx n GLY 179 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wpx s TYR 180 N -2.23 2.81 0.01 1.61 1.51 -0.92 -0.53 117.35 119.61 2wpx s TYR 180 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 2wpx s TYR 180 Cb 0.00 -1.26 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2wpx s TYR 180 CO 0.00 0.59 -0.02 -1.54 -1.11 0.00 0.00 175.55 173.46 2wpx s SER 181 N -3.63 0.22 0.35 2.29 1.04 -0.43 -4.84 113.70 108.69 2wpx s SER 181 Ca 0.31 -0.20 -0.25 0.00 0.48 0.00 0.00 55.95 56.29 2wpx s SER 181 Cb -0.07 0.02 -0.10 0.00 0.10 0.00 0.00 66.02 65.97 2wpx s SER 181 CO 0.21 -0.09 0.98 -0.76 0.98 0.00 0.00 173.24 174.55 2wpx s LEU 182 N -0.57 4.28 0.04 2.42 1.43 -1.26 -0.77 118.68 124.25 2wpx s LEU 182 Ca -0.05 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 2wpx s LEU 182 Cb -0.04 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 2wpx s LEU 182 CO -0.00 -0.19 -0.05 -0.69 0.23 0.00 0.00 176.35 175.65 2wpx s VAL 183 N -1.64 0.31 0.09 -1.59 1.01 0.06 -4.93 120.40 113.72 2wpx s VAL 183 Ca 0.52 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2wpx s VAL 183 Cb -0.19 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2wpx s VAL 183 CO 0.25 -0.55 -0.08 0.42 0.00 0.00 0.00 175.10 175.14 2wpx s THR 184 N -1.88 0.74 0.01 3.92 -4.23 -1.26 0.52 115.64 113.46 2wpx s THR 184 Ca -0.09 -1.69 -0.28 0.00 -1.18 0.00 0.00 61.69 58.45 2wpx s THR 184 Cb -0.07 -1.38 0.09 0.00 1.34 0.00 0.00 72.50 72.48 2wpx s THR 184 CO -0.02 -0.69 0.78 -1.66 -0.54 0.00 0.00 174.62 172.50 2wpx s TRP 185 N -2.85 -0.47 0.00 3.99 -2.14 -0.41 -4.98 118.94 112.08 2wpx s TRP 185 Ca 0.06 0.50 0.00 0.00 2.66 0.00 0.00 56.10 59.32 2wpx s TRP 185 Cb -0.00 0.50 0.00 0.00 -3.10 0.00 0.00 33.47 30.87 2wpx s TRP 185 CO -0.02 -0.61 0.00 0.41 -2.66 0.00 0.00 176.95 174.07 2wpx n GLY 186 N 0.11 1.00 0.16 3.67 0.00 -1.26 0.76 105.19 109.64 2wpx n GLY 186 Ca -0.13 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 2wpx n GLY 186 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wpx h THR 187 N 0.00 1.39 -3.28 2.61 2.02 -1.92 -3.40 112.91 110.33 2wpx h THR 187 Ca 0.00 -1.97 -0.62 0.00 0.77 0.00 0.00 66.41 64.59 2wpx h THR 187 Cb 0.00 2.01 -0.17 0.00 -1.74 0.00 0.00 68.15 68.25 2wpx h THR 187 CO 0.00 0.58 -0.58 -0.63 0.37 0.00 0.00 175.52 175.26 2wpx s ILE 188 N -3.75 4.61 -0.01 3.11 -1.09 -1.26 -4.82 121.20 117.98 2wpx s ILE 188 Ca -0.03 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 57.99 2wpx s ILE 188 Cb 0.12 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.90 2wpx s ILE 188 CO 0.79 0.47 1.20 -0.89 -1.23 0.00 0.00 174.94 175.27 2wpx s THR 189 N 0.34 4.20 0.48 2.92 2.01 -1.26 -4.98 115.64 119.34 2wpx s THR 189 Ca 0.02 1.55 -0.24 0.00 0.31 0.00 0.00 61.69 63.33 2wpx s THR 189 Cb -0.13 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 2wpx s THR 189 CO 0.01 0.04 1.38 -2.84 -0.69 0.00 0.00 174.62 172.52 2wpx s PRO 190 N 1.81 3.52 0.31 4.92 0.02 -1.26 -4.84 135.00 139.47 2wpx s PRO 190 Ca 0.57 2.30 0.07 0.00 0.02 0.00 0.00 61.00 63.96 2wpx s PRO 190 Cb -0.26 -2.51 0.84 0.00 0.02 0.00 0.00 34.50 32.59 2wpx s PRO 190 CO 0.25 -0.91 1.69 -0.44 -0.33 0.00 0.00 177.00 177.26 2wpx h ASP 191 N 2.03 0.41 -0.06 2.53 5.19 -2.01 -0.16 116.42 124.35 2wpx h ASP 191 Ca -0.51 0.16 0.02 0.00 -0.62 0.00 0.00 57.03 56.09 2wpx h ASP 191 Cb 1.28 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.91 2wpx h ASP 191 CO 0.60 -0.03 0.07 -0.08 -3.12 0.00 0.00 179.24 176.69 2wpx h GLU 192 N 0.40 0.00 -0.02 3.56 4.81 -2.04 -1.93 114.58 119.36 2wpx h GLU 192 Ca 0.62 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 2wpx h GLU 192 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2wpx h GLU 192 CO -0.55 0.00 -0.13 0.66 -0.73 0.00 0.00 179.01 178.26 2wpx n TYR 193 N -3.83 0.00 0.21 0.92 4.02 -0.09 -4.62 117.16 113.77 2wpx n TYR 193 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.75 2wpx n TYR 193 Cb 0.17 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.42 2wpx n TYR 193 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wpx h ALA 194 N 3.64 -0.56 -0.45 -0.72 0.00 -1.19 -0.36 119.26 119.63 2wpx h ALA 194 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2wpx h ALA 194 Cb 0.75 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2wpx h ALA 194 CO 0.00 -0.61 0.10 0.28 0.00 0.00 0.00 179.25 179.02 2wpx h VAL 195 N -0.97 1.24 -0.91 0.00 2.07 -1.84 -1.78 116.25 114.06 2wpx h VAL 195 Ca -0.06 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.71 2wpx h VAL 195 Cb 0.56 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2wpx h VAL 195 CO 0.09 0.30 0.59 -0.65 0.02 0.00 0.00 177.57 177.92 2wpx h PRO 196 N 0.60 0.93 -0.46 1.57 0.11 -1.81 -0.32 132.00 132.62 2wpx h PRO 196 Ca 0.14 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 2wpx h PRO 196 Cb 0.34 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 2wpx h PRO 196 CO 0.00 0.61 0.18 0.28 -0.21 0.00 0.00 178.00 178.87 2wpx h VAL 197 N 0.96 1.21 -0.26 3.15 2.07 -0.77 -2.78 116.25 119.83 2wpx h VAL 197 Ca 0.41 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 2wpx h VAL 197 Cb 0.32 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2wpx h VAL 197 CO -0.17 0.24 -0.05 0.77 0.02 0.00 0.00 177.57 178.38 2wpx h SER 198 N 0.60 0.37 -0.12 0.57 4.64 -0.23 -1.52 113.55 117.86 2wpx h SER 198 Ca 0.15 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2wpx h SER 198 Cb 0.21 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2wpx h SER 198 CO -0.01 0.48 0.00 -1.84 -0.87 0.00 0.00 176.83 174.59 2wpx n GLU 199 N -4.28 1.50 0.00 4.77 0.28 -0.38 -3.57 120.64 118.97 2wpx n GLU 199 Ca 0.01 -0.76 0.12 0.00 -0.16 0.00 0.00 57.16 56.36 2wpx n GLU 199 Cb 0.25 -1.35 0.59 0.00 1.43 0.00 0.00 31.44 32.37 2wpx n GLU 199 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 2wpx n LEU 200 N -0.01 0.00 -2.46 -1.84 7.94 -0.57 -3.96 117.00 116.11 2wpx n LEU 200 Ca 0.15 0.30 -0.25 0.00 -1.11 0.00 0.00 56.01 55.10 2wpx n LEU 200 Cb 0.24 -0.30 -0.08 0.00 0.53 0.00 0.00 43.42 43.81 2wpx n LEU 200 CO 0.12 -0.06 1.68 -0.62 -1.11 0.00 0.00 177.39 177.39 2wpx n GLU 201 N -1.30 2.47 -1.49 1.96 4.71 -1.23 -4.78 120.64 120.98 2wpx n GLU 201 Ca 0.11 -2.10 -0.40 0.00 -0.01 0.00 0.00 57.16 54.76 2wpx n GLU 201 Cb 0.20 -2.15 0.02 0.00 -1.01 0.00 0.00 31.44 28.50 2wpx n GLU 201 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2wpx n LEU 202 N 1.35 0.88 -4.00 -4.62 7.99 -1.25 -5.18 117.00 112.17 2wpx n LEU 202 Ca 0.49 0.84 -0.10 0.00 -0.01 0.00 0.00 56.01 57.23 2wpx n LEU 202 Cb 0.61 -1.19 -0.08 0.00 -0.11 0.00 0.00 43.42 42.66 2wpx n LEU 202 CO 0.31 -2.73 -0.07 -0.60 -1.51 0.00 0.00 177.39 172.78 2wpx s ARG 211 N -1.93 1.12 0.00 3.23 6.06 -1.26 -5.11 118.95 121.06 2wpx s ARG 211 Ca 0.66 -1.24 0.00 0.00 -2.50 0.00 0.00 55.73 52.65 2wpx s ARG 211 Cb -0.51 0.35 0.00 0.00 0.06 0.00 0.00 34.95 34.85 2wpx s ARG 211 CO 0.56 -0.40 0.00 0.00 -2.50 0.00 0.00 175.30 172.96 2wpx n ALA 212 N -0.20 0.00 -1.32 6.12 0.00 -1.26 -4.84 120.51 119.02 2wpx n ALA 212 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 2wpx n ALA 212 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 2wpx n ALA 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wpx n ALA 213 N 0.26 7.14 -1.92 0.00 0.00 -1.26 -4.97 120.51 119.76 2wpx n ALA 213 Ca 0.00 -3.14 -0.28 0.00 0.00 0.00 0.00 53.44 50.01 2wpx n ALA 213 Cb 0.00 -2.99 0.07 0.00 0.00 0.00 0.00 19.45 16.53 2wpx n ALA 213 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2wpx s GLN 214 N 1.31 2.34 0.00 0.00 -2.07 -1.26 -5.00 119.66 114.99 2wpx s GLN 214 Ca 0.67 0.09 0.00 0.00 -1.82 0.00 0.00 55.36 54.30 2wpx s GLN 214 Cb 0.23 -2.06 0.00 0.00 -1.09 0.00 0.00 33.01 30.09 2wpx s GLN 214 CO -0.06 -1.27 0.01 0.39 -1.32 0.00 0.00 175.29 173.04 2wpx n GLU 215 N -3.06 3.24 -4.65 9.60 1.02 -1.26 -5.08 120.64 120.44 2wpx n GLU 215 Ca 0.07 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.90 2wpx n GLU 215 Cb 0.60 -0.26 -0.13 0.00 -0.02 0.00 0.00 31.44 31.63 2wpx n GLU 215 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wpx s VAL 216 N -0.46 2.75 -0.03 2.62 1.01 -1.26 -5.12 120.40 119.91 2wpx s VAL 216 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.80 2wpx s VAL 216 Cb 0.00 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 2wpx s VAL 216 CO 0.00 0.33 -0.13 -0.13 0.00 0.00 0.00 175.10 175.17 2wpx s ARG 217 N -1.47 1.29 0.02 2.72 0.52 -1.26 -5.14 118.95 115.63 2wpx s ARG 217 Ca 0.15 -0.44 -0.11 0.00 -0.52 0.00 0.00 55.73 54.81 2wpx s ARG 217 Cb -0.10 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.15 2wpx s ARG 217 CO 0.05 0.18 0.36 -0.08 0.02 0.00 0.00 175.30 175.83 2wpx s THR 218 N 0.10 5.14 0.08 0.02 -1.32 -1.26 -5.10 115.64 113.29 2wpx s THR 218 Ca -0.03 0.54 -0.09 0.00 -1.21 0.00 0.00 61.69 60.90 2wpx s THR 218 Cb -0.09 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 2wpx s THR 218 CO 0.01 0.44 0.21 -0.94 -2.21 0.00 0.00 174.62 172.13 2wpx s SER 219 N -1.42 0.07 0.05 8.08 1.04 -1.26 -4.89 113.70 115.37 2wpx s SER 219 Ca 0.27 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.84 2wpx s SER 219 Cb -0.15 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 2wpx s SER 219 CO 0.15 -0.70 1.01 -0.47 0.98 0.00 0.00 173.24 174.21 2wpx s TYR 220 N -3.54 3.67 -0.44 5.02 5.04 -1.26 -4.90 117.35 120.94 2wpx s TYR 220 Ca 0.02 1.67 -0.12 0.00 -2.44 0.00 0.00 57.07 56.21 2wpx s TYR 220 Cb 0.03 -3.15 0.07 0.00 0.35 0.00 0.00 41.96 39.27 2wpx s TYR 220 CO -0.09 -0.15 0.31 0.00 -1.34 0.00 0.00 175.55 174.28 2wpx s ALA 221 N 0.64 3.41 0.55 3.97 0.00 -1.26 -4.94 121.76 124.12 2wpx s ALA 221 Ca 0.51 -2.11 0.29 0.00 0.00 0.00 0.00 51.96 50.65 2wpx s ALA 221 Cb -0.23 -2.83 1.72 0.00 0.00 0.00 0.00 23.12 21.78 2wpx s ALA 221 CO 0.29 -1.67 2.21 -0.09 0.00 0.00 0.00 175.76 176.50 2wpx h ARG 222 N 8.56 0.00 0.00 0.00 9.65 -2.02 -2.48 114.38 128.09 2wpx h ARG 222 Ca -0.25 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.55 2wpx h ARG 222 Cb 1.10 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 2wpx h ARG 222 CO 0.80 0.03 -0.36 0.37 2.80 0.00 0.00 179.97 183.62 2wpx h GLN 223 N 0.00 0.00 -0.44 0.20 4.15 -1.99 -1.85 115.11 115.18 2wpx h GLN 223 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 2wpx h GLN 223 Cb 0.09 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 2wpx h GLN 223 CO 0.00 0.36 0.07 0.74 -1.93 0.00 0.00 178.83 178.07 2wpx h PHE 224 N 0.00 0.11 -0.46 3.99 0.04 -1.81 0.42 116.94 119.23 2wpx h PHE 224 Ca -0.00 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2wpx h PHE 224 Cb 0.65 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 2wpx h PHE 224 CO 0.00 -0.01 0.07 0.93 -0.60 0.00 0.00 178.31 178.70 2wpx h GLU 225 N 0.20 0.76 -0.05 1.51 5.08 -1.49 -0.18 114.58 120.40 2wpx h GLU 225 Ca 0.22 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2wpx h GLU 225 Cb 0.28 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2wpx h GLU 225 CO -0.30 0.77 -0.42 1.79 -1.00 0.00 0.00 179.01 179.85 2wpx h THR 226 N 0.62 1.31 0.06 1.13 1.35 -1.04 -0.86 112.91 115.49 2wpx h THR 226 Ca 0.14 -1.51 -0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2wpx h THR 226 Cb 0.38 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2wpx h THR 226 CO 0.01 0.44 -0.03 -0.03 -0.25 0.00 0.00 175.52 175.66 2wpx h MET 227 N 0.10 -0.07 -0.89 4.72 1.85 0.18 -0.66 114.93 120.15 2wpx h MET 227 Ca 0.01 0.01 0.09 0.00 -0.61 0.00 0.00 59.70 59.19 2wpx h MET 227 Cb 0.79 0.02 -0.07 0.00 0.43 0.00 0.00 31.60 32.77 2wpx h MET 227 CO 0.06 0.18 0.54 0.00 -0.40 0.00 0.00 176.91 177.29 2wpx h ARG 228 N -0.33 0.89 -0.34 0.39 3.08 -0.91 -1.32 114.38 115.83 2wpx h ARG 228 Ca -0.01 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2wpx h ARG 228 Cb 0.29 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2wpx h ARG 228 CO 0.01 0.59 -0.11 0.28 -1.07 0.00 0.00 179.97 179.67 2wpx h VAL 229 N 0.92 1.28 -0.33 2.04 2.07 -0.93 0.81 116.25 122.10 2wpx h VAL 229 Ca 0.42 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.84 2wpx h VAL 229 Cb 0.33 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2wpx h VAL 229 CO -0.23 0.39 0.24 1.23 0.02 0.00 0.00 177.57 179.22 2wpx h GLY 230 N 0.46 0.08 -1.71 2.17 0.00 -0.67 0.14 103.07 103.55 2wpx h GLY 230 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2wpx h GLY 230 CO 0.04 0.02 0.00 0.54 0.00 0.00 0.00 176.54 177.14 2wpx n ARG 231 N -4.45 2.27 -1.24 4.80 1.74 -0.54 -4.61 116.66 114.63 2wpx n ARG 231 Ca 0.05 -1.40 -0.08 0.00 -0.77 0.00 0.00 57.85 55.64 2wpx n ARG 231 Cb 0.37 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 2wpx n ARG 231 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wpx n GLY 232 N 0.77 0.99 3.77 -0.13 0.00 0.50 -3.26 105.19 107.83 2wpx n GLY 232 Ca 0.13 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2wpx n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpx s ARG 233 N -2.48 4.19 0.08 1.61 0.52 0.22 -2.31 118.95 120.78 2wpx s ARG 233 Ca 0.00 0.49 0.02 0.00 -0.52 0.00 0.00 55.73 55.71 2wpx s ARG 233 Cb 0.00 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 2wpx s ARG 233 CO 0.00 0.40 0.16 0.50 0.02 0.00 0.00 175.30 176.38 2wpx s ARG 234 N -0.18 3.17 0.09 3.54 3.52 0.93 -4.19 118.95 125.84 2wpx s ARG 234 Ca 0.26 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 2wpx s ARG 234 Cb -0.16 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 2wpx s ARG 234 CO 0.13 0.58 -0.08 0.00 -0.81 0.00 0.00 175.30 175.11 2wpx s ALA 235 N -1.49 0.97 -0.06 6.12 0.00 -1.26 0.31 121.76 126.36 2wpx s ALA 235 Ca 0.32 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2wpx s ALA 235 Cb -0.12 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2wpx s ALA 235 CO 0.25 -0.14 -0.05 0.71 0.00 0.00 0.00 175.76 176.54 2wpx s TYR 236 N -2.91 0.86 -0.02 0.00 1.51 0.19 -2.93 117.35 114.04 2wpx s TYR 236 Ca 0.07 -0.27 0.06 0.00 -1.01 0.00 0.00 57.07 55.92 2wpx s TYR 236 Cb 0.00 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 41.07 2wpx s TYR 236 CO -0.02 -0.25 -0.22 -1.01 -1.11 0.00 0.00 175.55 172.94 2wpx s HIS 237 N 1.14 2.00 -0.04 2.71 3.76 0.23 -1.45 115.29 123.64 2wpx s HIS 237 Ca -0.07 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 2wpx s HIS 237 Cb -0.14 -1.29 0.00 0.00 1.11 0.00 0.00 32.58 32.26 2wpx s HIS 237 CO -0.01 -0.06 -0.13 0.99 -0.85 0.00 0.00 174.74 174.68 2wpx s THR 238 N -0.43 1.10 0.24 1.30 2.01 -1.03 -1.29 115.64 117.54 2wpx s THR 238 Ca 0.06 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.63 2wpx s THR 238 Cb -0.09 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2wpx s THR 238 CO -0.00 0.33 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.30 2wpx s GLY 239 N 0.25 1.62 -0.14 4.40 0.00 0.19 -1.45 107.32 112.18 2wpx s GLY 239 Ca -0.06 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 42.91 2wpx s GLY 239 CO 0.02 -1.82 -0.18 0.00 0.00 0.00 0.00 173.10 171.12 2wpx s ALA 240 N -2.89 2.40 -0.04 3.20 0.00 0.89 -0.76 121.76 124.56 2wpx s ALA 240 Ca 0.26 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 2wpx s ALA 240 Cb -0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2wpx s ALA 240 CO 0.10 0.03 0.19 0.08 0.00 0.00 0.00 175.76 176.16 2wpx s VAL 241 N 0.72 5.43 -0.53 0.00 1.01 0.05 -0.17 120.40 126.91 2wpx s VAL 241 Ca -0.08 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 2wpx s VAL 241 Cb -0.16 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 32.79 2wpx s VAL 241 CO 0.01 0.42 0.62 -2.28 0.00 0.00 0.00 175.10 173.87 2wpx s HIS 242 N -1.23 3.06 0.27 5.22 2.46 0.20 -1.32 115.29 123.96 2wpx s HIS 242 Ca 0.24 -0.74 0.01 0.00 0.47 0.00 0.00 55.06 55.04 2wpx s HIS 242 Cb -0.13 -3.65 0.63 0.00 -0.13 0.00 0.00 32.58 29.31 2wpx s HIS 242 CO 0.14 -1.08 1.69 -0.44 -2.47 0.00 0.00 174.74 172.58 2wpx h ASP 243 N 9.02 0.22 0.09 9.88 3.45 -1.13 0.88 116.42 138.83 2wpx h ASP 243 Ca -0.28 0.15 -0.09 0.00 0.43 0.00 0.00 57.03 57.23 2wpx h ASP 243 Cb 1.09 0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 40.01 2wpx h ASP 243 CO 1.00 -0.01 -0.31 0.00 -1.57 0.00 0.00 179.24 178.35 2wpx h ALA 244 N 1.67 1.16 -0.00 3.45 0.00 -1.93 -3.22 119.26 120.39 2wpx h ALA 244 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wpx h ALA 244 Cb 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wpx h ALA 244 CO -0.52 0.54 -0.47 0.25 0.00 0.00 0.00 179.25 179.05 2wpx n THR 245 N -4.10 0.00 -1.16 0.00 -2.24 -0.87 -4.99 114.28 100.92 2wpx n THR 245 Ca -0.01 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.45 2wpx n THR 245 Cb 0.42 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 2wpx n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpx n GLY 246 N 1.21 0.55 3.79 3.38 0.00 0.30 -4.98 105.19 109.43 2wpx n GLY 246 Ca 0.03 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2wpx n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wpx s ALA 247 N -1.50 3.03 -0.64 4.61 0.00 -1.21 -4.73 121.76 121.32 2wpx s ALA 247 Ca 0.00 0.68 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 2wpx s ALA 247 Cb 0.00 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.87 2wpx s ALA 247 CO 0.00 -0.25 1.38 -1.17 0.00 0.00 0.00 175.76 175.72 2wpx s LEU 248 N -2.86 3.30 0.40 0.00 2.96 -1.26 -0.63 118.68 120.59 2wpx s LEU 248 Ca 0.60 -0.02 0.21 0.00 -0.22 0.00 0.00 54.13 54.70 2wpx s LEU 248 Cb -0.21 -2.82 0.78 0.00 0.50 0.00 0.00 46.19 44.44 2wpx s LEU 248 CO 0.26 -1.80 1.77 0.00 -1.32 0.00 0.00 176.35 175.26 2wpx h ALA 249 N 10.86 1.01 -1.75 5.97 0.00 -0.88 -3.43 119.26 131.03 2wpx h ALA 249 Ca -0.27 -0.28 0.21 0.00 0.00 0.00 0.00 54.91 54.57 2wpx h ALA 249 Cb 1.08 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.65 2wpx h ALA 249 CO 1.22 0.38 0.70 0.20 0.00 0.00 0.00 179.25 181.76 2wpx s GLY 250 N -4.32 -0.35 0.28 0.00 0.00 -1.08 0.05 107.32 101.90 2wpx s GLY 250 Ca 0.00 1.30 -0.21 0.00 0.00 0.00 0.00 44.72 45.81 2wpx s GLY 250 CO 0.67 0.42 0.74 -2.52 0.00 0.00 0.00 173.10 172.41 2wpx s TYR 251 N -2.67 -0.17 0.17 1.90 1.13 -0.57 -0.07 117.35 117.08 2wpx s TYR 251 Ca 0.08 -0.30 -0.19 0.00 -1.41 0.00 0.00 57.07 55.26 2wpx s TYR 251 Cb -0.01 0.71 0.04 0.00 -1.10 0.00 0.00 41.96 41.61 2wpx s TYR 251 CO -0.06 -1.23 0.52 -0.08 -2.51 0.00 0.00 175.55 172.19 2wpx s THR 252 N -3.78 0.03 0.18 -3.49 -1.32 -0.53 -1.38 115.64 105.35 2wpx s THR 252 Ca 0.11 -0.53 -0.10 0.00 -1.21 0.00 0.00 61.69 59.97 2wpx s THR 252 Cb -0.06 -1.34 -0.01 0.00 -1.51 0.00 0.00 72.50 69.59 2wpx s THR 252 CO 0.07 -0.13 0.33 -0.94 -2.21 0.00 0.00 174.62 171.74 2wpx s SER 253 N -2.82 -0.00 -0.01 8.08 1.04 -1.24 -2.47 113.70 116.26 2wpx s SER 253 Ca 0.05 -0.86 0.02 0.00 0.48 0.00 0.00 55.95 55.64 2wpx s SER 253 Cb -0.01 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2wpx s SER 253 CO -0.07 -0.94 -0.05 -0.69 0.98 0.00 0.00 173.24 172.47 2wpx s VAL 254 N -3.97 0.46 -0.01 5.02 1.01 -0.53 -0.42 120.40 121.96 2wpx s VAL 254 Ca 0.18 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.98 2wpx s VAL 254 Cb 0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2wpx s VAL 254 CO 0.01 0.15 -0.06 -0.55 0.00 0.00 0.00 175.10 174.66 2wpx s SER 255 N 0.15 4.69 -0.02 3.32 0.15 0.60 -0.64 113.70 121.95 2wpx s SER 255 Ca -0.01 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2wpx s SER 255 Cb -0.06 -1.13 0.02 0.00 -1.71 0.00 0.00 66.02 63.15 2wpx s SER 255 CO -0.00 0.30 -0.00 -0.75 1.20 0.00 0.00 173.24 173.98 2wpx s LYS 256 N -1.32 0.25 0.57 5.44 2.47 0.15 -1.28 119.74 126.02 2wpx s LYS 256 Ca 0.16 0.05 -0.06 0.00 -1.56 0.00 0.00 55.97 54.57 2wpx s LYS 256 Cb -0.11 -0.41 -0.00 0.00 -1.46 0.00 0.00 37.83 35.85 2wpx s LYS 256 CO 0.07 -0.10 0.88 0.95 0.16 0.00 0.00 175.35 177.30 2wpx s THR 257 N 0.81 3.92 0.16 3.43 -4.23 -1.26 -0.05 115.64 118.43 2wpx s THR 257 Ca -0.08 0.05 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 2wpx s THR 257 Cb -0.11 -3.54 0.04 0.00 1.34 0.00 0.00 72.50 70.23 2wpx s THR 257 CO -0.02 -0.55 1.73 0.74 -0.54 0.00 0.00 174.62 175.98 2wpx h THR 258 N -0.09 0.83 -3.80 3.99 2.02 -1.74 -3.45 112.91 110.68 2wpx h THR 258 Ca -0.46 -0.07 -0.46 0.00 0.77 0.00 0.00 66.41 66.19 2wpx h THR 258 Cb 1.24 0.59 0.08 0.00 -1.74 0.00 0.00 68.15 68.32 2wpx h THR 258 CO 0.61 0.04 0.24 -0.83 0.37 0.00 0.00 175.52 175.94 2wpx s GLY 259 N -2.79 1.68 -0.60 2.16 0.00 -1.26 -4.73 107.32 101.79 2wpx s GLY 259 Ca -0.13 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 43.67 2wpx s GLY 259 CO 0.71 -0.50 0.56 0.70 0.00 0.00 0.00 173.10 174.57 2wpx n ASN 260 N -2.94 -6.65 0.28 1.64 5.03 -1.26 -4.88 115.26 106.48 2wpx n ASN 260 Ca 0.08 -0.06 0.16 0.00 0.87 0.00 0.00 54.58 55.63 2wpx n ASN 260 Cb 0.60 -4.46 0.86 0.00 -1.02 0.00 0.00 39.78 35.76 2wpx n ASN 260 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2wpx h PRO 261 N 0.36 0.00 -0.00 3.52 0.13 -1.90 -2.12 132.00 131.99 2wpx h PRO 261 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2wpx h PRO 261 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2wpx h PRO 261 CO 0.24 0.00 -0.39 0.00 -0.23 0.00 0.00 178.00 177.63 2wpx n ALA 262 N -1.89 3.33 -2.45 -0.56 0.00 -1.26 -2.60 120.51 115.07 2wpx n ALA 262 Ca -0.02 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.76 2wpx n ALA 262 Cb 0.19 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.39 2wpx n ALA 262 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2wpx s TYR 263 N -2.78 2.47 0.21 0.00 2.02 -0.80 -0.36 117.35 118.12 2wpx s TYR 263 Ca 0.17 -0.30 -0.20 0.00 -0.37 0.00 0.00 57.07 56.37 2wpx s TYR 263 Cb 0.18 -1.34 0.04 0.00 -0.40 0.00 0.00 41.96 40.44 2wpx s TYR 263 CO 0.62 0.35 0.60 0.00 -1.57 0.00 0.00 175.55 175.54 2wpx s ALA 264 N -1.08 -1.20 -0.10 3.71 0.00 -0.53 -4.69 121.76 117.86 2wpx s ALA 264 Ca 0.16 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.11 2wpx s ALA 264 Cb -0.10 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.89 2wpx s ALA 264 CO 0.08 -0.86 -0.19 -1.17 0.00 0.00 0.00 175.76 173.62 2wpx s LEU 265 N -2.85 1.89 -0.27 0.00 1.98 -0.41 -2.02 118.68 117.01 2wpx s LEU 265 Ca 0.07 -0.47 -0.14 0.00 -2.89 0.00 0.00 54.13 50.70 2wpx s LEU 265 Cb -0.02 -1.20 -0.04 0.00 0.66 0.00 0.00 46.19 45.59 2wpx s LEU 265 CO -0.03 0.08 0.35 -1.58 -1.89 0.00 0.00 176.35 173.28 2wpx s GLN 266 N 0.65 4.00 0.00 1.98 0.74 0.97 -0.29 119.66 127.72 2wpx s GLN 266 Ca -0.13 -0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.27 2wpx s GLN 266 Cb -0.16 -3.66 0.00 0.00 1.10 0.00 0.00 33.01 30.29 2wpx s GLN 266 CO 0.03 -0.27 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 2wpx n GLY 267 N 4.73 -0.03 3.77 2.59 0.00 0.44 -4.45 105.19 112.24 2wpx n GLY 267 Ca -0.09 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 2wpx n GLY 267 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wpx s MET 268 N 0.55 4.72 -0.26 1.61 0.23 -1.26 -4.70 119.30 120.19 2wpx s MET 268 Ca 0.00 1.39 -0.09 0.00 -1.03 0.00 0.00 55.69 55.97 2wpx s MET 268 Cb 0.00 -3.08 -0.04 0.00 -1.53 0.00 0.00 34.83 30.18 2wpx s MET 268 CO 0.00 0.42 0.11 0.99 -2.03 0.00 0.00 175.02 174.52 2wpx s THR 269 N -1.36 4.72 -0.12 3.16 2.01 -1.26 -3.67 115.64 119.12 2wpx s THR 269 Ca 0.44 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.43 2wpx s THR 269 Cb -0.23 -3.22 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 2wpx s THR 269 CO 0.28 0.31 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 2wpx s VAL 270 N 1.58 2.35 -0.16 3.82 1.01 -0.48 -5.01 120.40 123.50 2wpx s VAL 270 Ca 0.06 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 2wpx s VAL 270 Cb -0.15 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.29 2wpx s VAL 270 CO 0.06 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.87 2wpx s VAL 271 N 0.45 2.69 0.21 2.92 1.01 -1.26 -1.51 120.40 124.93 2wpx s VAL 271 Ca -0.14 -0.75 -0.32 0.00 0.00 0.00 0.00 61.98 60.77 2wpx s VAL 271 Cb -0.17 -2.15 -0.14 0.00 0.00 0.00 0.00 36.38 33.93 2wpx s VAL 271 CO 0.06 0.51 1.43 1.57 0.00 0.00 0.00 175.10 178.67 2wpx n HIS 272 N 4.19 2.13 0.00 5.22 -0.00 0.11 -4.87 115.22 122.00 2wpx n HIS 272 Ca -0.19 0.41 0.15 0.00 0.46 0.00 0.00 57.72 58.56 2wpx n HIS 272 Cb 0.51 -2.47 0.61 0.00 -0.12 0.00 0.00 29.99 28.53 2wpx n HIS 272 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 2wpx h ARG 273 N 4.56 0.15 0.00 1.57 0.11 -1.90 0.21 114.38 119.07 2wpx h ARG 273 Ca -0.45 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2wpx h ARG 273 Cb 1.28 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2wpx h ARG 273 CO 0.78 0.10 0.00 0.39 0.10 0.00 0.00 179.97 181.34 2wpx n GLU 274 N -4.44 0.58 -0.91 0.08 1.02 -1.26 -3.78 120.64 111.93 2wpx n GLU 274 Ca 0.08 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.28 2wpx n GLU 274 Cb 0.45 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.53 2wpx n GLU 274 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wpx n HIS 275 N -1.18 0.13 -1.88 -0.32 8.25 0.72 -5.05 115.22 115.90 2wpx n HIS 275 Ca 0.16 -1.30 -0.30 0.00 -0.26 0.00 0.00 57.72 56.02 2wpx n HIS 275 Cb 0.17 -0.23 0.05 0.00 1.12 0.00 0.00 29.99 31.10 2wpx n HIS 275 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2wpx s ARG 276 N -2.48 2.87 0.00 -0.41 1.81 -1.20 -4.18 118.95 115.36 2wpx s ARG 276 Ca 0.37 0.47 0.00 0.00 -1.72 0.00 0.00 55.73 54.85 2wpx s ARG 276 Cb 0.38 -2.02 0.00 0.00 -0.45 0.00 0.00 34.95 32.85 2wpx s ARG 276 CO -0.09 -1.03 0.00 0.41 -0.68 0.00 0.00 175.30 173.91 2wpx n GLY 277 N -3.00 0.63 0.78 -3.53 0.00 -1.26 -4.88 105.19 93.93 2wpx n GLY 277 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2wpx n GLY 277 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wpx n HIS 278 N -2.72 0.68 -2.24 1.61 8.25 -1.26 -4.97 115.22 114.57 2wpx n HIS 278 Ca 0.00 -0.62 -0.20 0.00 -0.26 0.00 0.00 57.72 56.64 2wpx n HIS 278 Cb 0.00 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 30.96 2wpx n HIS 278 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wpx n ALA 279 N 0.25 -0.53 -1.58 -1.41 0.00 -1.26 -4.82 120.51 111.15 2wpx n ALA 279 Ca 0.16 0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 2wpx n ALA 279 Cb 0.60 -2.08 0.03 0.00 0.00 0.00 0.00 19.45 18.00 2wpx n ALA 279 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wpx s LEU 280 N -5.46 3.44 0.00 0.00 1.02 -1.26 -2.57 118.68 113.85 2wpx s LEU 280 Ca 0.00 1.93 0.00 0.00 0.02 0.00 0.00 54.13 56.08 2wpx s LEU 280 Cb 0.00 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.67 2wpx s LEU 280 CO 0.00 -1.44 0.00 0.61 0.02 0.00 0.00 176.35 175.54 2wpx n GLY 281 N -0.69 2.07 0.22 -3.19 0.00 -1.26 -4.61 105.19 97.73 2wpx n GLY 281 Ca 0.10 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 2wpx n GLY 281 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wpx h THR 282 N 0.00 0.63 -0.01 2.61 2.02 -1.93 -0.49 112.91 115.74 2wpx h THR 282 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2wpx h THR 282 Cb 0.00 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 2wpx h THR 282 CO 0.00 0.00 -0.25 0.25 0.37 0.00 0.00 175.52 175.89 2wpx h LEU 283 N -0.47 -0.74 0.08 2.58 5.85 -1.75 -1.57 115.31 119.29 2wpx h LEU 283 Ca -0.04 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2wpx h LEU 283 Cb 0.38 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2wpx h LEU 283 CO 0.05 -0.32 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.60 2wpx h LEU 284 N -0.38 -0.47 -0.87 2.25 3.38 -1.83 0.42 115.31 117.82 2wpx h LEU 284 Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2wpx h LEU 284 Cb 0.47 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2wpx h LEU 284 CO -0.23 -0.24 0.46 0.11 0.09 0.00 0.00 178.44 178.63 2wpx h LYS 285 N -0.32 1.22 -0.27 1.13 1.57 -0.98 0.20 116.57 119.12 2wpx h LYS 285 Ca 0.03 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2wpx h LYS 285 Cb 0.35 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2wpx h LYS 285 CO -0.10 0.91 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.47 2wpx h LEU 286 N 1.22 0.61 -0.42 2.94 3.38 -0.87 0.30 115.31 122.46 2wpx h LEU 286 Ca 0.30 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2wpx h LEU 286 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2wpx h LEU 286 CO -0.05 0.89 0.09 0.00 0.09 0.00 0.00 178.44 179.46 2wpx h ALA 287 N 0.73 0.55 -0.56 1.53 0.00 0.23 -2.28 119.26 119.46 2wpx h ALA 287 Ca 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2wpx h ALA 287 Cb 0.67 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2wpx h ALA 287 CO 0.04 0.24 0.04 -0.97 0.00 0.00 0.00 179.25 178.61 2wpx h ASN 288 N 0.54 0.94 -0.10 0.00 -0.00 -0.58 -1.63 115.58 114.75 2wpx h ASN 288 Ca 0.13 -0.29 0.02 0.00 -0.00 0.00 0.00 56.30 56.16 2wpx h ASN 288 Cb 0.34 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.39 2wpx h ASN 288 CO 0.00 0.99 -0.02 0.25 -0.00 0.00 0.00 177.43 178.66 2wpx h LEU 289 N 0.86 -0.08 -0.79 0.34 5.85 -0.81 0.44 115.31 121.12 2wpx h LEU 289 Ca 0.17 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2wpx h LEU 289 Cb 0.48 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 2wpx h LEU 289 CO 0.02 -0.03 0.48 -0.08 -0.34 0.00 0.00 178.44 178.49 2wpx h GLU 290 N 0.01 0.86 -0.51 1.25 4.81 -1.26 0.24 114.58 119.98 2wpx h GLU 290 Ca 0.05 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2wpx h GLU 290 Cb 0.07 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 2wpx h GLU 290 CO -0.10 0.57 0.28 -0.92 -0.73 0.00 0.00 179.01 178.11 2wpx h TYR 291 N 0.88 0.52 -0.20 0.92 3.20 -0.80 -1.11 116.97 120.38 2wpx h TYR 291 Ca 0.34 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.25 2wpx h TYR 291 Cb 0.15 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2wpx h TYR 291 CO -0.05 0.27 0.07 0.28 -1.64 0.00 0.00 178.16 177.09 2wpx h VAL 292 N 0.55 0.95 0.00 1.81 2.07 0.42 -3.02 116.25 119.02 2wpx h VAL 292 Ca 0.22 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.62 2wpx h VAL 292 Cb 0.09 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2wpx h VAL 292 CO -0.13 0.03 -0.30 -0.07 0.02 0.00 0.00 177.57 177.12 2wpx h LEU 293 N 0.16 0.00 -1.33 2.57 4.07 -0.14 0.95 115.31 121.60 2wpx h LEU 293 Ca 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 2wpx h LEU 293 Cb 0.05 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 2wpx h LEU 293 CO -0.09 0.30 -0.12 -0.09 -1.08 0.00 0.00 178.44 177.36 2wpx h ARG 294 N 0.00 0.00 0.00 1.13 2.43 -1.09 -3.00 114.38 113.85 2wpx h ARG 294 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2wpx h ARG 294 Cb 0.65 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2wpx h ARG 294 CO 0.04 0.12 -1.70 0.72 -1.51 0.00 0.00 179.97 177.63 2wpx n HIS 295 N -3.28 0.00 -3.28 2.20 8.25 -0.63 -4.74 115.22 113.73 2wpx n HIS 295 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 2wpx n HIS 295 Cb 0.36 -0.37 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 2wpx n HIS 295 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2wpx n GLU 296 N -2.05 1.35 0.25 -0.41 4.71 0.23 -4.96 120.64 119.76 2wpx n GLU 296 Ca -0.04 -3.75 0.17 0.00 -0.01 0.00 0.00 57.16 53.53 2wpx n GLU 296 Cb 0.43 -1.60 0.87 0.00 -1.01 0.00 0.00 31.44 30.13 2wpx n GLU 296 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2wpx h PRO 297 N 4.12 0.00 -0.00 3.49 0.13 -1.76 -2.28 132.00 135.69 2wpx h PRO 297 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2wpx h PRO 297 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2wpx h PRO 297 CO 0.59 0.00 -0.36 0.39 -0.23 0.00 0.00 178.00 178.40 2wpx n GLU 298 N -2.72 0.21 -1.68 0.86 1.02 -1.26 -4.85 120.64 112.22 2wpx n GLU 298 Ca -0.02 -0.11 -0.46 0.00 -0.02 0.00 0.00 57.16 56.56 2wpx n GLU 298 Cb 0.10 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 2wpx n GLU 298 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wpx n VAL 299 N -1.30 0.42 0.00 2.62 0.31 -0.86 -4.05 118.33 115.47 2wpx n VAL 299 Ca 0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wpx n VAL 299 Cb 0.33 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 2wpx n VAL 299 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wpx n ARG 300 N 5.76 2.32 -4.23 5.55 5.12 -0.48 -4.94 116.66 125.75 2wpx n ARG 300 Ca 0.20 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.78 2wpx n ARG 300 Cb 0.33 -0.79 -0.15 0.00 -1.16 0.00 0.00 32.46 30.69 2wpx n ARG 300 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wpx s LEU 301 N -2.73 2.62 -0.08 0.55 1.43 0.52 -0.80 118.68 120.18 2wpx s LEU 301 Ca 0.00 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2wpx s LEU 301 Cb 0.00 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2wpx s LEU 301 CO 0.00 0.04 -0.19 -0.69 0.23 0.00 0.00 176.35 175.73 2wpx s VAL 302 N 1.11 1.70 0.24 -1.59 1.01 -0.25 -1.46 120.40 121.16 2wpx s VAL 302 Ca 0.00 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.26 2wpx s VAL 302 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2wpx s VAL 302 CO -0.03 0.48 0.01 -1.83 0.00 0.00 0.00 175.10 173.73 2wpx s GLU 303 N 0.44 2.35 0.23 2.72 -1.05 -0.85 -0.84 118.70 121.69 2wpx s GLU 303 Ca -0.17 -1.33 -0.20 0.00 -0.15 0.00 0.00 54.97 53.12 2wpx s GLU 303 Cb -0.17 -2.22 0.03 0.00 -0.44 0.00 0.00 34.13 31.33 2wpx s GLU 303 CO 0.07 0.39 0.64 -0.08 0.95 0.00 0.00 175.26 177.22 2wpx s THR 304 N -2.17 0.01 -0.08 1.83 -1.32 -0.95 -0.02 115.64 112.94 2wpx s THR 304 Ca 0.30 -0.72 -0.04 0.00 -1.21 0.00 0.00 61.69 60.02 2wpx s THR 304 Cb -0.07 -1.67 0.03 0.00 -1.51 0.00 0.00 72.50 69.29 2wpx s THR 304 CO 0.20 -0.02 0.18 0.00 -2.21 0.00 0.00 174.62 172.76 2wpx s ALA 305 N -3.87 -0.39 0.04 11.08 0.00 -1.26 -0.29 121.76 127.07 2wpx s ALA 305 Ca 0.09 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.82 2wpx s ALA 305 Cb -0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2wpx s ALA 305 CO -0.00 -0.14 -0.21 -0.80 0.00 0.00 0.00 175.76 174.61 2wpx s ASN 306 N 0.83 2.53 0.29 0.00 0.01 -0.71 -4.95 114.94 112.93 2wpx s ASN 306 Ca -0.06 -0.53 -0.30 0.00 -0.71 0.00 0.00 52.86 51.26 2wpx s ASN 306 Cb -0.08 -0.21 -0.11 0.00 0.41 0.00 0.00 41.25 41.26 2wpx s ASN 306 CO -0.05 0.17 1.57 0.00 -1.51 0.00 0.00 177.10 177.28 2wpx s ALA 307 N -0.80 3.73 -0.87 0.60 0.00 -1.26 0.60 121.76 123.75 2wpx s ALA 307 Ca 0.08 1.54 0.05 0.00 0.00 0.00 0.00 51.96 53.62 2wpx s ALA 307 Cb -0.09 -3.64 0.25 0.00 0.00 0.00 0.00 23.12 19.65 2wpx s ALA 307 CO 0.02 -0.95 1.16 -0.85 0.00 0.00 0.00 175.76 175.14 2wpx n GLU 308 N 2.20 0.02 0.00 0.00 0.28 0.11 -1.16 120.64 122.09 2wpx n GLU 308 Ca 0.08 0.50 0.11 0.00 -0.16 0.00 0.00 57.16 57.69 2wpx n GLU 308 Cb 0.38 -1.58 0.05 0.00 1.43 0.00 0.00 31.44 31.72 2wpx n GLU 308 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2wpx n ASP 309 N -1.63 2.30 -3.76 -1.84 3.85 -1.26 -4.63 116.55 109.58 2wpx n ASP 309 Ca 0.00 -1.65 -0.42 0.00 -0.71 0.00 0.00 54.79 52.01 2wpx n ASP 309 Cb 0.03 0.31 0.00 0.00 -1.35 0.00 0.00 41.12 40.11 2wpx n ASP 309 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2wpx n ASN 310 N 0.39 4.08 -0.30 -1.12 5.15 -0.31 -4.79 115.26 118.36 2wpx n ASN 310 Ca 0.11 -2.89 -0.02 0.00 -0.60 0.00 0.00 54.58 51.19 2wpx n ASN 310 Cb 0.50 -1.63 0.15 0.00 -0.53 0.00 0.00 39.78 38.28 2wpx n ASN 310 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 2wpx h HIS 311 N 5.96 1.14 -0.46 1.20 3.86 -1.85 -2.50 115.15 122.49 2wpx h HIS 311 Ca 0.54 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.84 2wpx h HIS 311 Cb 0.64 -0.38 -0.07 0.00 1.06 0.00 0.00 27.41 28.66 2wpx h HIS 311 CO 1.42 0.74 0.06 -1.35 0.86 0.00 0.00 177.93 179.66 2wpx h PRO 312 N 1.20 0.18 0.00 2.45 0.11 -1.99 0.20 132.00 134.14 2wpx h PRO 312 Ca 0.32 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.27 2wpx h PRO 312 Cb -0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 2wpx h PRO 312 CO -0.06 0.12 -0.69 0.52 -0.21 0.00 0.00 178.00 177.67 2wpx h MET 313 N 0.18 0.00 0.16 1.05 2.86 -1.94 -1.60 114.93 115.65 2wpx h MET 313 Ca 0.23 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 2wpx h MET 313 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2wpx h MET 313 CO -0.33 0.69 -0.08 0.82 1.06 0.00 0.00 176.91 179.07 2wpx h ILE 314 N 0.00 0.93 -0.54 -1.22 2.04 -0.98 0.29 117.51 118.02 2wpx h ILE 314 Ca -0.01 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 65.57 2wpx h ILE 314 Cb 1.40 1.16 -0.11 0.00 -0.74 0.00 0.00 36.82 38.54 2wpx h ILE 314 CO 0.09 0.09 -0.30 0.00 0.00 0.00 0.00 178.15 178.03 2wpx h ALA 315 N 0.40 -0.00 -0.51 1.87 0.00 -0.48 0.39 119.26 120.92 2wpx h ALA 315 Ca -0.02 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2wpx h ALA 315 Cb 0.32 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2wpx h ALA 315 CO 0.04 -0.65 0.19 0.28 0.00 0.00 0.00 179.25 179.11 2wpx h VAL 316 N -0.16 0.84 -0.31 0.00 2.07 -1.06 -0.34 116.25 117.29 2wpx h VAL 316 Ca 0.23 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.52 2wpx h VAL 316 Cb 0.53 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2wpx h VAL 316 CO -0.64 0.07 -0.22 0.78 0.02 0.00 0.00 177.57 177.59 2wpx h ASN 317 N 0.38 0.59 -0.24 0.57 -0.26 0.65 -2.88 115.58 114.38 2wpx h ASN 317 Ca 0.24 -0.20 -0.05 0.00 -0.56 0.00 0.00 56.30 55.74 2wpx h ASN 317 Cb 0.25 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 2wpx h ASN 317 CO -0.24 0.81 -0.03 0.00 -1.06 0.00 0.00 177.43 176.91 2wpx h ALA 318 N 1.24 0.33 -0.34 -0.83 0.00 0.35 -1.67 119.26 118.34 2wpx h ALA 318 Ca 0.08 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.85 2wpx h ALA 318 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2wpx h ALA 318 CO 0.05 0.09 0.42 0.00 0.00 0.00 0.00 179.25 179.81 2wpx h ALA 319 N 0.78 2.00 -0.00 0.00 0.00 -0.96 0.92 119.26 122.00 2wpx h ALA 319 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wpx h ALA 319 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wpx h ALA 319 CO 0.02 -0.60 -0.51 1.28 0.00 0.00 0.00 179.25 179.44 2wpx n LEU 320 N -3.60 0.79 0.00 0.00 4.32 -0.78 -4.92 117.00 112.81 2wpx n LEU 320 Ca 0.06 -0.18 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 2wpx n LEU 320 Cb 0.58 -0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 2wpx n LEU 320 CO 0.25 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 2wpx n GLY 321 N 1.45 0.76 3.76 -0.72 0.00 0.32 -4.41 105.19 106.36 2wpx n GLY 321 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2wpx n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wpx s PHE 322 N -2.00 2.92 -0.09 1.61 0.40 -0.70 -4.63 117.98 115.49 2wpx s PHE 322 Ca 0.00 1.11 0.04 0.00 -0.60 0.00 0.00 56.93 57.49 2wpx s PHE 322 Cb 0.00 -3.85 0.00 0.00 0.51 0.00 0.00 43.02 39.68 2wpx s PHE 322 CO 0.00 -2.64 -0.23 -1.21 0.70 0.00 0.00 175.22 171.84 2wpx s GLU 323 N -1.03 2.84 0.13 0.44 2.02 0.60 -4.45 118.70 119.25 2wpx s GLU 323 Ca 0.56 -0.83 -0.31 0.00 0.02 0.00 0.00 54.97 54.41 2wpx s GLU 323 Cb -0.43 -2.18 -0.11 0.00 0.10 0.00 0.00 34.13 31.51 2wpx s GLU 323 CO 0.50 0.19 1.84 -2.14 0.02 0.00 0.00 175.26 175.66 2wpx s PRO 324 N 0.32 4.13 -0.20 0.39 0.02 -1.26 -0.50 135.00 137.90 2wpx s PRO 324 Ca -0.17 2.62 -0.04 0.00 0.02 0.00 0.00 61.00 63.43 2wpx s PRO 324 Cb -0.17 -3.55 -0.11 0.00 0.02 0.00 0.00 34.50 30.69 2wpx s PRO 324 CO 0.08 -0.85 -0.21 0.98 -0.33 0.00 0.00 177.00 176.67 2wpx n TYR 325 N 5.56 0.00 -3.92 6.54 9.36 -0.16 -4.85 117.16 129.68 2wpx n TYR 325 Ca 0.18 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.29 2wpx n TYR 325 Cb 0.38 -0.73 -0.01 0.00 -0.63 0.00 0.00 39.34 38.34 2wpx n TYR 325 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2wpx s ASP 326 N -6.32 0.26 -0.02 2.98 3.84 -1.10 -4.19 116.67 112.13 2wpx s ASP 326 Ca -0.27 -1.18 0.06 0.00 -0.00 0.00 0.00 52.55 51.16 2wpx s ASP 326 Cb 0.09 0.75 -0.01 0.00 -1.38 0.00 0.00 42.92 42.36 2wpx s ASP 326 CO 0.40 -1.47 -0.20 -0.60 -0.00 0.00 0.00 175.17 173.30 2wpx s ARG 327 N -2.89 1.66 -0.53 2.11 3.52 0.09 -1.51 118.95 121.40 2wpx s ARG 327 Ca 0.21 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 55.02 2wpx s ARG 327 Cb -0.03 -1.58 0.14 0.00 -1.56 0.00 0.00 34.95 31.92 2wpx s ARG 327 CO 0.14 0.41 0.39 -1.58 -0.81 0.00 0.00 175.30 173.85 2wpx s TRP 328 N -0.41 3.48 -0.19 5.12 0.51 0.10 -1.48 118.94 126.07 2wpx s TRP 328 Ca 0.06 -2.09 -0.10 0.00 -2.12 0.00 0.00 56.10 51.85 2wpx s TRP 328 Cb -0.08 -3.45 -0.05 0.00 -0.81 0.00 0.00 33.47 29.08 2wpx s TRP 328 CO -0.00 -0.97 0.13 0.08 -0.51 0.00 0.00 176.95 175.68 2wpx s VAL 329 N 0.96 5.41 -0.07 4.03 1.01 0.90 -1.66 120.40 130.98 2wpx s VAL 329 Ca 0.09 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 2wpx s VAL 329 Cb -0.23 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2wpx s VAL 329 CO -0.02 0.45 0.73 -0.36 0.00 0.00 0.00 175.10 175.90 2wpx s PHE 330 N 0.26 3.57 0.19 5.22 0.08 -1.26 -0.29 117.98 125.74 2wpx s PHE 330 Ca 0.08 1.27 0.08 0.00 0.12 0.00 0.00 56.93 58.49 2wpx s PHE 330 Cb -0.11 -2.84 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 2wpx s PHE 330 CO -0.02 0.05 -0.16 -1.58 -0.10 0.00 0.00 175.22 173.42 2wpx s TRP 331 N 0.93 1.77 -0.01 0.36 0.52 0.14 -1.20 118.94 121.45 2wpx s TRP 331 Ca 0.38 -0.52 -0.03 0.00 0.02 0.00 0.00 56.10 55.95 2wpx s TRP 331 Cb -0.18 -0.84 -0.00 0.00 -1.15 0.00 0.00 33.47 31.30 2wpx s TRP 331 CO 0.18 0.36 0.07 -0.08 0.02 0.00 0.00 176.95 177.50 2wpx s THR 332 N -2.58 0.06 0.08 2.01 -1.32 -0.35 -0.76 115.64 112.78 2wpx s THR 332 Ca 0.20 -0.47 -0.05 0.00 -1.21 0.00 0.00 61.69 60.15 2wpx s THR 332 Cb -0.03 -0.26 -0.02 0.00 -1.51 0.00 0.00 72.50 70.68 2wpx s THR 332 CO 0.07 -0.26 0.10 0.00 -2.21 0.00 0.00 174.62 172.32 2wpx s ALA 333 N -0.83 0.15 0.14 11.08 0.00 -0.06 -0.32 121.76 131.91 2wpx s ALA 333 Ca -0.09 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 2wpx s ALA 333 Cb -0.05 0.45 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 2wpx s ALA 333 CO 0.00 -0.46 0.90 -1.21 0.00 0.00 0.00 175.76 174.99 2wpx s GLU 334 N -3.90 4.69 0.54 0.00 2.02 -1.26 -0.96 118.70 119.83 2wpx s GLU 334 Ca 0.08 1.36 0.31 0.00 0.02 0.00 0.00 54.97 56.74 2wpx s GLU 334 Cb 0.06 -3.34 1.52 0.00 0.10 0.00 0.00 34.13 32.47 2wpx s GLU 334 CO -0.09 0.34 2.07 0.00 0.02 0.00 0.00 175.26 177.60 2wpx h ALA 335 N 5.09 1.15 0.00 5.21 0.00 -1.13 -3.45 119.26 126.13 2wpx h ALA 335 Ca -0.44 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2wpx h ALA 335 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wpx h ALA 335 CO 0.70 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.47 2wpx n GLY 336 N -0.49 -0.26 0.00 0.00 0.00 -1.26 -4.74 105.19 98.45 2wpx n GLY 336 Ca -0.01 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2wpx n GLY 336 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wpx n PRO 337 N -0.26 0.00 0.00 1.61 -0.04 -1.26 -5.03 135.00 130.02 2wpx n PRO 337 Ca 0.00 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2wpx n PRO 337 Cb 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 2wpx n PRO 337 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91