#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 0.28 3.64 0.00 0.00 -1.26 -5.03 105.19 102.81 2wpx n GLY 6 Ca 0.00 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.84 3.93 -0.19 1.61 0.41 -1.26 -4.99 118.70 117.38 2wpx s GLU 7 Ca 0.00 1.63 -0.10 0.00 -0.41 0.00 0.00 54.97 56.09 2wpx s GLU 7 Cb 0.00 -3.95 -0.05 0.00 -1.78 0.00 0.00 34.13 28.35 2wpx s GLU 7 CO 0.00 -1.11 0.13 -0.51 -0.49 0.00 0.00 175.26 173.27 2wpx s LEU 8 N 4.61 4.19 -0.24 1.80 1.43 -1.26 -4.57 118.68 124.64 2wpx s LEU 8 Ca 0.66 0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 53.90 2wpx s LEU 8 Cb -0.23 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2wpx s LEU 8 CO 0.26 0.20 0.14 -0.70 0.23 0.00 0.00 176.35 176.47 2wpx s GLU 9 N 0.23 3.95 -0.28 1.70 2.12 -0.38 -4.92 118.70 121.12 2wpx s GLU 9 Ca 0.08 -0.33 -0.16 0.00 0.36 0.00 0.00 54.97 54.92 2wpx s GLU 9 Cb -0.11 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 2wpx s GLU 9 CO -0.01 -0.01 0.42 -0.06 -0.54 0.00 0.00 175.26 175.05 2wpx s PHE 10 N 1.23 3.24 -0.04 5.30 0.08 -1.26 0.34 117.98 126.87 2wpx s PHE 10 Ca 0.06 0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.56 2wpx s PHE 10 Cb -0.14 -2.64 -0.00 0.00 -0.57 0.00 0.00 43.02 39.66 2wpx s PHE 10 CO 0.05 -0.28 -0.14 0.54 -0.10 0.00 0.00 175.22 175.28 2wpx s VAL 11 N 2.15 1.22 0.58 -0.44 0.11 -0.93 -5.02 120.40 118.07 2wpx s VAL 11 Ca 0.16 -0.60 -0.20 0.00 -2.93 0.00 0.00 61.98 58.41 2wpx s VAL 11 Cb -0.16 -1.06 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 2wpx s VAL 11 CO 0.10 0.36 1.29 -2.65 -3.33 0.00 0.00 175.10 170.87 2wpx n PRO 12 N 3.19 1.43 -3.25 1.54 -0.02 -1.26 -1.54 135.00 135.10 2wpx n PRO 12 Ca -0.18 0.54 -0.44 0.00 -2.02 0.00 0.00 63.50 61.40 2wpx n PRO 12 Cb 0.53 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 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 -3.44 5.00 0.01 2.45 2.96 -0.01 -4.68 118.68 120.96 2wpx s LEU 13 Ca 0.75 -0.85 0.08 0.00 -0.22 0.00 0.00 54.13 53.90 2wpx s LEU 13 Cb -0.41 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.85 2wpx s LEU 13 CO 0.47 -0.73 -0.26 0.00 -1.32 0.00 0.00 176.35 174.51 2wpx s ALA 14 N 2.31 2.22 -0.21 5.97 0.00 -1.26 -4.69 121.76 126.10 2wpx s ALA 14 Ca 0.13 -1.19 0.29 0.00 0.00 0.00 0.00 51.96 51.19 2wpx s ALA 14 Cb -0.19 -0.53 1.01 0.00 0.00 0.00 0.00 23.12 23.41 2wpx s ALA 14 CO 0.12 0.53 1.83 0.00 0.00 0.00 0.00 175.76 178.24 2wpx h ALA 15 N 5.16 1.00 -0.00 0.00 0.00 -1.94 -2.32 119.26 121.16 2wpx h ALA 15 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wpx h ALA 15 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wpx h ALA 15 CO 0.46 0.00 -0.03 0.27 0.00 0.00 0.00 179.25 179.95 2wpx n ASN 16 N -2.86 0.03 -4.45 0.00 6.94 -1.26 -4.53 115.26 109.14 2wpx n ASN 16 Ca 0.02 0.36 -0.44 0.00 -0.02 0.00 0.00 54.58 54.50 2wpx n ASN 16 Cb 0.36 -0.43 -0.01 0.00 -2.36 0.00 0.00 39.78 37.34 2wpx n ASN 16 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2wpx s ASP 17 N -2.94 6.93 0.25 0.53 3.68 -0.87 -4.88 116.67 119.37 2wpx s ASP 17 Ca 0.16 -2.70 -0.04 0.00 2.13 0.00 0.00 52.55 52.09 2wpx s ASP 17 Cb 0.19 -2.38 0.35 0.00 -1.45 0.00 0.00 42.92 39.63 2wpx s ASP 17 CO 0.53 -0.82 1.87 0.44 0.13 0.00 0.00 175.17 177.32 2wpx h ASP 18 N 7.72 0.94 0.31 -0.34 3.45 -1.85 0.49 116.42 127.14 2wpx h ASP 18 Ca 0.25 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.70 2wpx h ASP 18 Cb 0.93 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 2wpx h ASP 18 CO 1.16 0.61 -0.15 -0.08 -1.57 0.00 0.00 179.24 179.21 2wpx h GLU 19 N 1.08 -0.40 -0.58 3.56 4.57 -1.97 0.97 114.58 121.81 2wpx h GLU 19 Ca 0.40 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.57 2wpx h GLU 19 Cb 0.14 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 2wpx h GLU 19 CO -0.16 -0.25 0.23 1.15 -1.18 0.00 0.00 179.01 178.79 2wpx h THR 20 N -0.45 1.23 -0.39 0.32 2.02 -1.87 -2.41 112.91 111.35 2wpx h THR 20 Ca -0.04 -0.71 0.01 0.00 0.77 0.00 0.00 66.41 66.43 2wpx h THR 20 Cb 0.34 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2wpx h THR 20 CO 0.07 0.28 0.25 0.58 0.37 0.00 0.00 175.52 177.07 2wpx h VAL 21 N 0.80 1.08 -0.45 3.16 2.07 -0.77 -1.46 116.25 120.69 2wpx h VAL 21 Ca 0.19 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2wpx h VAL 21 Cb 0.21 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 2wpx h VAL 21 CO -0.01 0.09 -0.05 1.23 0.02 0.00 0.00 177.57 178.85 2wpx h GLY 22 N 0.51 0.40 0.81 2.17 0.00 -0.71 0.22 103.07 106.47 2wpx h GLY 22 Ca 0.15 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.62 2wpx h GLY 22 CO -0.04 -0.14 0.48 1.46 0.00 0.00 0.00 176.54 178.29 2wpx h GLN 23 N 0.06 0.88 -0.51 4.80 4.20 -1.29 -0.96 115.11 122.28 2wpx h GLN 23 Ca 0.22 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 2wpx h GLN 23 Cb 0.33 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2wpx h GLN 23 CO -0.41 0.58 0.23 2.35 -0.67 0.00 0.00 178.83 180.91 2wpx h TRP 24 N 0.91 0.75 -0.23 2.96 7.01 -0.65 0.11 115.95 126.81 2wpx h TRP 24 Ca 0.32 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.30 2wpx h TRP 24 Cb 0.07 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 26.88 2wpx h TRP 24 CO -0.04 0.61 0.07 -0.07 -2.79 0.00 0.00 178.44 176.22 2wpx h LEU 25 N 0.68 0.07 -0.50 0.65 3.38 -0.76 -1.07 115.31 117.76 2wpx h LEU 25 Ca 0.17 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wpx h LEU 25 Cb 0.15 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2wpx h LEU 25 CO -0.02 0.07 0.31 0.44 0.09 0.00 0.00 178.44 179.33 2wpx h ASP 26 N 0.17 0.60 -0.80 -0.43 3.45 -0.99 -0.50 116.42 117.91 2wpx h ASP 26 Ca 0.10 -0.05 0.13 0.00 0.43 0.00 0.00 57.03 57.64 2wpx h ASP 26 Cb 0.08 -0.15 -0.09 0.00 -0.56 0.00 0.00 39.33 38.61 2wpx h ASP 26 CO -0.11 0.47 0.41 0.25 -1.57 0.00 0.00 179.24 178.68 2wpx h LEU 27 N 0.67 0.50 0.05 1.55 5.85 -0.44 -1.21 115.31 122.29 2wpx h LEU 27 Ca 0.18 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2wpx h LEU 27 Cb -0.02 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2wpx h LEU 27 CO -0.03 0.24 -0.02 0.24 -0.34 0.00 0.00 178.44 178.52 2wpx h MET 28 N 0.62 -0.07 -0.83 1.25 2.86 -0.59 -0.82 114.93 117.36 2wpx h MET 28 Ca 0.42 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.22 2wpx h MET 28 Cb 0.54 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.12 2wpx h MET 28 CO -0.33 0.36 0.39 0.00 1.06 0.00 0.00 176.91 178.39 2wpx h ALA 29 N 0.39 1.24 -0.20 6.32 0.00 -0.97 0.19 119.26 126.22 2wpx h ALA 29 Ca -0.01 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2wpx h ALA 29 Cb 0.46 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wpx h ALA 29 CO 0.01 -0.16 -0.31 1.25 0.00 0.00 0.00 179.25 180.04 2wpx h LEU 30 N 0.54 0.63 -1.25 0.00 7.12 -1.17 -3.21 115.31 117.96 2wpx h LEU 30 Ca 0.46 -0.52 -0.07 0.00 0.13 0.00 0.00 57.88 57.88 2wpx h LEU 30 Cb 0.70 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 2wpx h LEU 30 CO -0.40 1.03 -0.29 0.00 -0.13 0.00 0.00 178.44 178.65 2wpx h ALA 31 N 0.62 1.38 0.00 1.25 0.00 -0.64 -2.51 119.26 119.35 2wpx h ALA 31 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wpx h ALA 31 Cb 0.89 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wpx h ALA 31 CO 0.07 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.76 2wpx h ALA 32 N 1.58 1.00 -0.09 0.00 0.00 -0.98 -1.74 119.26 119.03 2wpx h ALA 32 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2wpx h ALA 32 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2wpx h ALA 32 CO 0.04 0.00 -0.15 0.93 0.00 0.00 0.00 179.25 180.07 2wpx h GLU 33 N 0.00 0.14 -0.04 0.00 5.08 -1.45 -3.20 114.58 115.12 2wpx h GLU 33 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2wpx h GLU 33 Cb 0.33 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2wpx h GLU 33 CO 0.00 0.30 0.00 0.25 -1.00 0.00 0.00 179.01 178.56 2wpx n THR 34 N -4.29 1.24 -0.67 1.13 -2.24 -0.94 -5.05 114.28 103.46 2wpx n THR 34 Ca -0.01 -1.31 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 2wpx n THR 34 Cb 0.26 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.62 0.78 3.75 3.38 0.00 -0.70 -5.05 105.19 106.73 2wpx n GLY 35 Ca 0.05 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 2wpx n GLY 35 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wpx s PRO 36 N 1.45 2.87 -0.13 1.61 0.02 -1.26 -4.90 135.00 134.66 2wpx s PRO 36 Ca 0.00 1.81 -0.40 0.00 0.02 0.00 0.00 61.00 62.43 2wpx s PRO 36 Cb 0.00 -1.92 -0.18 0.00 0.02 0.00 0.00 34.50 32.42 2wpx s PRO 36 CO 0.00 -1.28 1.40 -2.13 -0.33 0.00 0.00 177.00 174.65 2wpx n ARG 37 N -1.74 0.58 -3.52 5.54 0.63 -1.26 -4.90 116.66 111.98 2wpx n ARG 37 Ca 0.14 0.21 -0.13 0.00 -0.92 0.00 0.00 57.85 57.15 2wpx n ARG 37 Cb 0.50 -1.79 -0.04 0.00 0.45 0.00 0.00 32.46 31.57 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 1.49 -1.81 0.25 5.13 0.00 -1.26 -5.11 121.76 120.45 2wpx s ALA 38 Ca 0.93 1.21 -0.30 0.00 0.00 0.00 0.00 51.96 53.80 2wpx s ALA 38 Cb -1.18 0.01 -0.10 0.00 0.00 0.00 0.00 23.12 21.85 2wpx s ALA 38 CO 0.61 -0.48 1.39 0.00 0.00 0.00 0.00 175.76 177.27 2wpx s ALA 39 N -1.99 3.58 0.51 0.00 0.00 -1.26 -4.98 121.76 117.63 2wpx s ALA 39 Ca -0.03 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.00 2wpx s ALA 39 Cb -0.01 -3.53 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 2wpx s ALA 39 CO -0.00 -0.68 0.58 -2.30 0.00 0.00 0.00 175.76 173.35 2wpx n PRO 40 N 2.09 0.61 -1.94 0.00 -0.02 -1.26 -4.89 135.00 129.59 2wpx n PRO 40 Ca 0.05 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2wpx n PRO 40 Cb 0.41 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.19 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 -1.93 4.22 -0.26 0.52 0.02 -1.26 -4.95 135.00 131.36 2wpx s PRO 41 Ca 0.67 2.38 -0.17 0.00 0.02 0.00 0.00 61.00 63.89 2wpx s PRO 41 Cb -0.50 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 30.89 2wpx s PRO 41 CO 0.56 -0.51 0.48 0.00 -0.33 0.00 0.00 177.00 177.20 2wpx h ASN 43 N 8.03 0.88 0.33 0.00 2.35 -1.98 0.33 115.58 125.53 2wpx h ASN 43 Ca -0.30 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2wpx h ASN 43 Cb 1.15 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.29 2wpx h ASN 43 CO 0.70 0.62 -0.28 0.58 -1.65 0.00 0.00 177.43 177.39 2wpx h VAL 44 N 1.03 0.40 -0.30 2.81 2.07 -1.94 -0.76 116.25 119.56 2wpx h VAL 44 Ca 0.32 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.91 2wpx h VAL 44 Cb -0.00 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 2wpx h VAL 44 CO -0.09 0.00 -0.21 -0.78 0.02 0.00 0.00 177.57 176.51 2wpx h ASP 45 N -0.63 -0.68 -0.20 0.57 -0.00 -1.17 -0.88 116.42 113.43 2wpx h ASP 45 Ca -0.02 0.14 -0.02 0.00 -0.00 0.00 0.00 57.03 57.13 2wpx h ASP 45 Cb 0.56 0.34 -0.01 0.00 -0.00 0.00 0.00 39.33 40.22 2wpx h ASP 45 CO -0.03 -0.24 0.06 0.24 -0.00 0.00 0.00 179.24 179.27 2wpx h MET 46 N -0.18 0.30 -0.38 0.28 2.86 -0.25 0.18 114.93 117.74 2wpx h MET 46 Ca 0.16 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 2wpx h MET 46 Cb 0.42 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2wpx h MET 46 CO -0.41 0.40 -0.20 0.28 1.06 0.00 0.00 176.91 178.04 2wpx h VAL 47 N 0.14 1.27 0.00 -2.22 2.07 -1.09 0.11 116.25 116.54 2wpx h VAL 47 Ca 0.06 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2wpx h VAL 47 Cb 0.22 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2wpx h VAL 47 CO -0.00 0.43 -0.29 1.23 0.02 0.00 0.00 177.57 178.96 2wpx h GLY 48 N 0.97 0.00 2.00 2.17 0.00 -0.92 -2.12 103.07 105.18 2wpx h GLY 48 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2wpx h GLY 48 CO 0.05 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.45 2wpx n SER 49 N -3.67 0.15 0.07 0.19 3.41 0.61 -1.46 113.62 112.92 2wpx n SER 49 Ca -0.01 0.55 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 2wpx n SER 49 Cb 0.40 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.74 2wpx n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wpx n LEU 50 N -1.68 0.85 -0.08 1.04 4.77 -0.80 -4.39 117.00 116.72 2wpx n LEU 50 Ca 0.02 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 2wpx n LEU 50 Cb 0.13 0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.07 2wpx n LEU 50 CO 0.11 -0.02 -1.07 0.54 -1.33 0.00 0.00 177.39 175.62 2wpx n ARG 51 N -2.78 0.68 -3.79 3.23 1.74 -0.60 -4.87 116.66 110.27 2wpx n ARG 51 Ca -0.05 -0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 2wpx n ARG 51 Cb 0.70 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.63 2.04 0.38 -1.55 0.40 -0.53 -5.11 117.98 110.98 2wpx s PHE 52 Ca -0.09 -1.89 0.03 0.00 -0.60 0.00 0.00 56.93 54.37 2wpx s PHE 52 Cb 0.07 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2wpx s PHE 52 CO 0.84 -0.87 0.57 0.00 0.70 0.00 0.00 175.22 176.46 2wpx s ALA 53 N 1.50 3.93 0.85 5.36 0.00 -1.26 -4.65 121.76 127.48 2wpx s ALA 53 Ca 0.08 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 2wpx s ALA 53 Cb -0.18 -1.95 0.10 0.00 0.00 0.00 0.00 23.12 21.09 2wpx s ALA 53 CO -0.20 -0.18 1.09 -1.25 0.00 0.00 0.00 175.76 175.22 2wpx s PRO 54 N -4.36 1.65 0.30 0.00 0.04 -1.26 -4.82 135.00 126.55 2wpx s PRO 54 Ca 0.45 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 62.23 2wpx s PRO 54 Cb -0.10 -1.84 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 2wpx s PRO 54 CO 0.35 -2.02 1.08 -2.30 0.04 0.00 0.00 177.00 174.15 2wpx n PRO 55 N -3.76 1.52 -4.19 0.56 -0.02 -1.26 -2.20 135.00 125.66 2wpx n PRO 55 Ca 0.08 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 2wpx n PRO 55 Cb 0.54 -1.96 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.31 -1.55 -2.87 3.55 0.00 -1.26 -4.90 120.51 113.78 2wpx n ALA 56 Ca 0.09 -0.15 -0.12 0.00 0.00 0.00 0.00 53.44 53.26 2wpx n ALA 56 Cb 0.33 -2.51 -0.14 0.00 0.00 0.00 0.00 19.45 17.12 2wpx n ALA 56 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wpx s THR 57 N -3.61 0.01 0.19 0.00 -4.23 -0.93 -1.42 115.64 105.65 2wpx s THR 57 Ca 0.45 -0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.89 2wpx s THR 57 Cb -0.25 -0.03 -0.05 0.00 1.34 0.00 0.00 72.50 73.51 2wpx s THR 57 CO 0.94 -0.02 0.40 0.00 -0.54 0.00 0.00 174.62 175.39 2wpx s ALA 58 N -0.08 3.81 0.07 3.99 0.00 -0.33 -4.65 121.76 124.56 2wpx s ALA 58 Ca -0.01 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.28 2wpx s ALA 58 Cb -0.01 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2wpx s ALA 58 CO -0.00 0.48 -0.14 -0.51 0.00 0.00 0.00 175.76 175.59 2wpx s LEU 59 N -3.17 2.84 -0.36 0.00 1.43 -1.26 -0.54 118.68 117.62 2wpx s LEU 59 Ca 0.39 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2wpx s LEU 59 Cb -0.11 -1.66 0.13 0.00 0.03 0.00 0.00 46.19 44.57 2wpx s LEU 59 CO 0.28 0.22 0.18 -0.62 0.23 0.00 0.00 176.35 176.64 2wpx s ASP 60 N -1.82 3.42 -0.16 2.29 -1.08 -0.90 -4.99 116.67 113.44 2wpx s ASP 60 Ca 0.18 -2.05 -0.06 0.00 -0.52 0.00 0.00 52.55 50.10 2wpx s ASP 60 Cb -0.11 -0.63 -0.04 0.00 -1.46 0.00 0.00 42.92 40.68 2wpx s ASP 60 CO 0.09 -0.34 0.04 -1.81 0.52 0.00 0.00 175.17 173.68 2wpx s ASP 61 N 1.16 5.52 0.07 -0.34 1.01 -1.26 -2.11 116.67 120.71 2wpx s ASP 61 Ca 0.15 0.10 0.03 0.00 0.71 0.00 0.00 52.55 53.54 2wpx s ASP 61 Cb -0.21 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 2wpx s ASP 61 CO -0.10 0.23 -0.09 0.26 0.21 0.00 0.00 175.17 175.68 2wpx s TRP 62 N 0.02 0.91 0.33 4.23 0.52 0.14 -0.83 118.94 124.26 2wpx s TRP 62 Ca 0.05 -0.59 0.09 0.00 0.02 0.00 0.00 56.10 55.67 2wpx s TRP 62 Cb -0.12 -0.52 -0.05 0.00 -1.15 0.00 0.00 33.47 31.62 2wpx s TRP 62 CO 0.01 -0.04 -0.00 0.14 0.02 0.00 0.00 176.95 177.08 2wpx s VAL 63 N -1.97 2.69 -0.06 4.03 -7.23 -0.59 -0.71 120.40 116.56 2wpx s VAL 63 Ca -0.01 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 2wpx s VAL 63 Cb -0.06 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 2wpx s VAL 63 CO -0.00 -0.23 -0.23 0.54 -0.31 0.00 0.00 175.10 174.87 2wpx s VAL 64 N -2.50 1.89 0.04 1.32 0.11 0.41 -2.18 120.40 119.48 2wpx s VAL 64 Ca 0.34 -0.97 0.06 0.00 -2.93 0.00 0.00 61.98 58.49 2wpx s VAL 64 Cb -0.01 -1.61 -0.03 0.00 -1.53 0.00 0.00 36.38 33.20 2wpx s VAL 64 CO 0.19 0.53 -0.13 -0.13 -3.33 0.00 0.00 175.10 172.22 2wpx s ARG 65 N -0.04 2.22 -0.08 1.54 0.52 0.15 0.10 118.95 123.37 2wpx s ARG 65 Ca -0.06 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.24 2wpx s ARG 65 Cb -0.14 -2.30 0.03 0.00 0.52 0.00 0.00 34.95 33.06 2wpx s ARG 65 CO 0.04 0.55 -0.02 0.45 0.02 0.00 0.00 175.30 176.34 2wpx s SER 66 N -1.56 1.65 -1.41 0.23 0.15 0.15 -1.25 113.70 111.66 2wpx s SER 66 Ca 0.16 -0.14 -0.10 0.00 0.70 0.00 0.00 55.95 56.57 2wpx s SER 66 Cb -0.11 -0.54 0.04 0.00 -1.71 0.00 0.00 66.02 63.70 2wpx s SER 66 CO 0.07 -0.16 1.09 0.61 1.20 0.00 0.00 173.24 176.06 2wpx n GLY 67 N 4.94 -0.51 3.17 9.45 0.00 -1.26 -2.17 105.19 118.81 2wpx n GLY 67 Ca -0.11 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.84 1.11 3.46 -0.02 0.00 -1.26 -5.01 105.19 101.63 2wpx n GLY 68 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.13 1.74 0.10 1.61 1.04 -0.92 -5.04 118.95 117.35 2wpx s ARG 69 Ca 0.00 -1.19 -0.31 0.00 -1.04 0.00 0.00 55.73 53.19 2wpx s ARG 69 Cb 0.00 -2.08 -0.09 0.00 -2.04 0.00 0.00 34.95 30.75 2wpx s ARG 69 CO 0.00 0.48 1.57 0.08 -0.04 0.00 0.00 175.30 177.39 2wpx s VAL 70 N -1.10 2.97 0.00 4.99 1.01 -1.26 0.32 120.40 127.33 2wpx s VAL 70 Ca 0.17 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2wpx s VAL 70 Cb -0.10 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2wpx s VAL 70 CO 0.09 0.02 0.65 1.33 0.00 0.00 0.00 175.10 177.19 2wpx n VAL 71 N 4.35 0.42 -3.76 2.92 0.24 0.12 -4.88 118.33 117.74 2wpx n VAL 71 Ca 0.14 -0.57 0.03 0.00 -2.04 0.00 0.00 64.34 61.90 2wpx n VAL 71 Cb 0.40 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.42 -0.32 -0.13 7.63 0.00 -1.14 -1.06 107.32 111.88 2wpx s GLY 72 Ca 0.00 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.05 2wpx s GLY 72 CO 0.00 2.50 0.40 0.00 0.00 0.00 0.00 173.10 176.01 2wpx s ALA 73 N -2.18 -1.01 -0.07 3.20 0.00 -0.51 -0.44 121.76 120.75 2wpx s ALA 73 Ca 0.21 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.21 2wpx s ALA 73 Cb 0.03 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.65 2wpx s ALA 73 CO -0.03 -0.21 -0.12 -1.17 0.00 0.00 0.00 175.76 174.22 2wpx s LEU 74 N -0.11 1.63 -0.09 0.00 2.96 0.11 -1.80 118.68 121.39 2wpx s LEU 74 Ca -0.03 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2wpx s LEU 74 Cb -0.03 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.83 2wpx s LEU 74 CO 0.02 0.03 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.83 2wpx s ARG 75 N 0.72 1.79 0.01 1.98 0.52 0.14 -0.68 118.95 123.42 2wpx s ARG 75 Ca -0.14 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.69 2wpx s ARG 75 Cb -0.16 -1.59 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 2wpx s ARG 75 CO 0.03 -0.09 0.00 -0.51 0.02 0.00 0.00 175.30 174.76 2wpx s LEU 76 N 1.06 3.52 -0.12 2.53 1.43 -0.90 -0.19 118.68 126.02 2wpx s LEU 76 Ca -0.07 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2wpx s LEU 76 Cb -0.15 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2wpx s LEU 76 CO -0.01 0.27 -0.16 0.00 0.23 0.00 0.00 176.35 176.67 2wpx s ALA 77 N -1.11 2.49 -0.35 4.21 0.00 0.37 -2.11 121.76 125.25 2wpx s ALA 77 Ca 0.20 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 2wpx s ALA 77 Cb -0.12 -1.08 0.08 0.00 0.00 0.00 0.00 23.12 22.01 2wpx s ALA 77 CO 0.11 0.28 0.09 -0.51 0.00 0.00 0.00 175.76 175.73 2wpx s LEU 78 N 0.29 4.62 0.07 0.00 2.01 0.30 -1.67 118.68 124.29 2wpx s LEU 78 Ca -0.12 -1.76 -0.31 0.00 0.01 0.00 0.00 54.13 51.96 2wpx s LEU 78 Cb -0.16 -1.74 -0.08 0.00 0.01 0.00 0.00 46.19 44.21 2wpx s LEU 78 CO 0.06 -0.40 1.69 -2.84 1.01 0.00 0.00 176.35 175.87 2wpx s PRO 79 N 1.14 4.19 0.25 1.29 0.02 -1.26 -1.19 135.00 139.43 2wpx s PRO 79 Ca 0.03 2.37 -0.30 0.00 0.02 0.00 0.00 61.00 63.13 2wpx s PRO 79 Cb -0.21 -3.65 -0.14 0.00 0.02 0.00 0.00 34.50 30.52 2wpx s PRO 79 CO -0.04 -0.77 1.10 -0.25 -0.33 0.00 0.00 177.00 176.72 2wpx n ASP 80 N 5.80 1.51 0.00 2.53 10.43 -0.51 -2.26 116.55 134.05 2wpx n ASP 80 Ca 0.16 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.69 2wpx n ASP 80 Cb 0.40 -1.29 0.00 0.00 1.84 0.00 0.00 41.12 42.07 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 1.54 0.52 3.63 0.44 0.00 -1.26 -4.99 105.19 105.07 2wpx n GLY 81 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.38 3.11 -2.02 4.61 0.00 -0.96 -5.01 121.76 119.10 2wpx s ALA 82 Ca 0.00 -1.36 0.09 0.00 0.00 0.00 0.00 51.96 50.69 2wpx s ALA 82 Cb 0.00 -0.93 0.46 0.00 0.00 0.00 0.00 23.12 22.65 2wpx s ALA 82 CO 0.00 0.52 1.31 -0.35 0.00 0.00 0.00 175.76 177.24 2wpx n PRO 83 N 0.09 1.17 -4.14 0.00 -0.04 -1.26 -4.85 135.00 125.96 2wpx n PRO 83 Ca -0.11 -0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 62.79 2wpx n PRO 83 Cb 0.55 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.92 4.02 -0.10 0.52 2.01 -1.26 -1.33 115.64 117.58 2wpx s THR 84 Ca 0.15 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.20 2wpx s THR 84 Cb 0.07 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.70 2wpx s THR 84 CO 0.11 0.14 -0.12 0.00 -0.69 0.00 0.00 174.62 174.06 2wpx s ALA 85 N -1.29 1.47 -0.19 7.40 0.00 0.12 -4.33 121.76 124.93 2wpx s ALA 85 Ca 0.25 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 2wpx s ALA 85 Cb -0.12 -0.78 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 2wpx s ALA 85 CO 0.18 -0.12 0.11 0.50 0.00 0.00 0.00 175.76 176.42 2wpx s ARG 86 N 1.10 4.06 -0.68 0.00 3.52 -0.67 -0.87 118.95 125.40 2wpx s ARG 86 Ca -0.06 -0.26 -0.26 0.00 -0.13 0.00 0.00 55.73 55.03 2wpx s ARG 86 Cb -0.14 -3.33 0.04 0.00 -1.56 0.00 0.00 34.95 29.96 2wpx s ARG 86 CO -0.02 0.33 1.16 0.08 -0.81 0.00 0.00 175.30 176.03 2wpx s VAL 87 N 0.25 3.98 -0.50 7.11 1.01 0.52 -0.48 120.40 132.28 2wpx s VAL 87 Ca 0.07 0.28 0.24 0.00 0.00 0.00 0.00 61.98 62.57 2wpx s VAL 87 Cb -0.12 -4.80 0.14 0.00 0.00 0.00 0.00 36.38 31.61 2wpx s VAL 87 CO -0.01 -1.61 1.39 0.44 0.00 0.00 0.00 175.10 175.31 2wpx h ASP 88 N 9.78 0.00 -2.81 3.32 3.45 -0.90 -3.43 116.42 125.83 2wpx h ASP 88 Ca -0.28 -0.07 0.03 0.00 0.43 0.00 0.00 57.03 57.14 2wpx h ASP 88 Cb 1.06 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.62 2wpx h ASP 88 CO 1.22 0.04 -0.02 -1.58 -1.57 0.00 0.00 179.24 177.33 2wpx s GLN 89 N -3.22 0.67 -0.24 3.56 0.74 -1.04 -4.92 119.66 115.21 2wpx s GLN 89 Ca 0.05 1.26 -0.04 0.00 0.05 0.00 0.00 55.36 56.68 2wpx s GLN 89 Cb 0.10 0.28 0.08 0.00 1.10 0.00 0.00 33.01 34.58 2wpx s GLN 89 CO 0.71 -0.16 0.11 -1.17 -0.55 0.00 0.00 175.29 174.22 2wpx s LEU 90 N 1.89 0.57 -0.03 3.68 0.20 -1.26 0.28 118.68 124.01 2wpx s LEU 90 Ca -0.09 -1.02 0.02 0.00 0.69 0.00 0.00 54.13 53.72 2wpx s LEU 90 Cb -0.07 -0.34 0.01 0.00 -0.43 0.00 0.00 46.19 45.36 2wpx s LEU 90 CO -0.20 -0.40 -0.06 -0.22 -0.29 0.00 0.00 176.35 175.19 2wpx s LEU 91 N 2.08 1.62 -0.07 -0.68 0.20 -0.75 -4.99 118.68 116.09 2wpx s LEU 91 Ca 0.06 -0.14 0.05 0.00 0.69 0.00 0.00 54.13 54.79 2wpx s LEU 91 Cb -0.16 -0.44 -0.00 0.00 -0.43 0.00 0.00 46.19 45.16 2wpx s LEU 91 CO -0.24 0.01 -0.23 -0.69 -0.29 0.00 0.00 176.35 174.91 2wpx s VAL 92 N 0.47 1.92 -0.02 1.68 1.01 -1.26 -1.42 120.40 122.77 2wpx s VAL 92 Ca -0.06 -0.97 -0.37 0.00 0.00 0.00 0.00 61.98 60.58 2wpx s VAL 92 Cb -0.10 -1.65 -0.15 0.00 0.00 0.00 0.00 36.38 34.48 2wpx s VAL 92 CO 0.00 0.53 1.55 1.57 0.00 0.00 0.00 175.10 178.75 2wpx n HIS 93 N 3.25 1.87 0.22 5.22 -0.00 -0.22 -4.81 115.22 120.75 2wpx n HIS 93 Ca -0.18 0.48 0.17 0.00 0.46 0.00 0.00 57.72 58.65 2wpx n HIS 93 Cb 0.52 -2.44 0.76 0.00 -0.12 0.00 0.00 29.99 28.72 2wpx n HIS 93 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2wpx h PRO 94 N 6.01 0.00 0.00 1.57 0.13 -1.93 0.65 132.00 138.44 2wpx h PRO 94 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wpx h PRO 94 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2wpx h PRO 94 CO 0.86 0.00 -0.50 0.41 -0.23 0.00 0.00 178.00 178.54 2wpx n GLY 95 N -1.35 -1.30 0.76 1.56 0.00 -1.26 -4.25 105.19 99.35 2wpx n GLY 95 Ca 0.02 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.62 1.20 -2.61 1.61 5.12 0.23 -5.07 116.66 115.51 2wpx n ARG 96 Ca 0.05 -2.94 -0.31 0.00 -1.93 0.00 0.00 57.85 52.72 2wpx n ARG 96 Cb 0.36 -1.24 -0.03 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.45 3.87 -1.00 5.56 3.00 -1.18 -4.26 118.95 122.47 2wpx s ARG 97 Ca 0.36 0.73 -0.05 0.00 0.00 0.00 0.00 55.73 56.77 2wpx s ARG 97 Cb 0.36 -2.25 0.01 0.00 0.00 0.00 0.00 34.95 33.06 2wpx s ARG 97 CO -0.08 -0.16 0.87 0.54 0.00 0.00 0.00 175.30 176.46 2wpx n ARG 98 N -1.45 -5.84 0.00 3.54 5.12 -1.26 -4.89 116.66 111.88 2wpx n ARG 98 Ca 0.05 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.60 2wpx n ARG 98 Cb 0.54 -5.07 0.00 0.00 -1.16 0.00 0.00 32.46 26.77 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 -3.80 -0.11 -0.12 5.56 3.00 -1.26 -5.01 116.66 114.92 2wpx n ARG 99 Ca -0.04 -0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 2wpx n ARG 99 Cb 0.56 -0.57 0.00 0.00 0.00 0.00 0.00 32.46 32.45 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 0.01 0.60 0.12 5.14 0.00 -1.26 -3.70 105.19 106.10 2wpx n GLY 100 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.31 -0.56 -0.61 2.04 -1.95 -0.58 117.51 117.16 2wpx h ILE 101 Ca 0.00 -1.09 0.05 0.00 1.00 0.00 0.00 64.86 64.82 2wpx h ILE 101 Cb 0.00 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 2wpx h ILE 101 CO 0.00 0.32 0.29 1.23 0.00 0.00 0.00 178.15 179.99 2wpx h GLY 102 N -0.03 0.80 0.62 5.37 0.00 -1.93 0.45 103.07 108.35 2wpx h GLY 102 Ca 0.03 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.20 2wpx h GLY 102 CO 0.02 0.12 -0.03 -0.09 0.00 0.00 0.00 176.54 176.56 2wpx h ARG 103 N 0.55 0.03 -0.59 4.80 2.43 -1.90 0.16 114.38 119.86 2wpx h ARG 103 Ca 0.25 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 2wpx h ARG 103 Cb 0.16 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2wpx h ARG 103 CO -0.17 0.02 0.39 0.00 -1.51 0.00 0.00 179.97 178.70 2wpx h ALA 104 N 1.20 1.73 -0.50 2.80 0.00 -0.66 -0.68 119.26 123.15 2wpx h ALA 104 Ca 0.10 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2wpx h ALA 104 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wpx h ALA 104 CO -0.19 0.19 -0.18 -0.07 0.00 0.00 0.00 179.25 179.00 2wpx h LEU 105 N 0.65 1.02 -0.57 0.00 3.38 0.54 -0.86 115.31 119.48 2wpx h LEU 105 Ca 0.24 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 2wpx h LEU 105 Cb 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2wpx h LEU 105 CO -0.07 1.17 -0.07 -0.25 0.09 0.00 0.00 178.44 179.31 2wpx h TRP 106 N 0.87 1.18 -0.57 1.13 2.91 -0.61 0.32 115.95 121.17 2wpx h TRP 106 Ca 0.12 -0.23 -0.07 0.00 1.13 0.00 0.00 58.89 59.83 2wpx h TRP 106 Cb 0.75 -0.30 -0.02 0.00 -0.51 0.00 0.00 29.16 29.08 2wpx h TRP 106 CO 0.05 1.06 0.06 0.00 -1.03 0.00 0.00 178.44 178.59 2wpx h ALA 107 N 0.95 1.03 -0.29 2.65 0.00 -0.85 -0.87 119.26 121.88 2wpx h ALA 107 Ca 0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2wpx h ALA 107 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2wpx h ALA 107 CO 0.04 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 181.14 2wpx h HIS 108 N 0.88 0.58 -0.43 0.00 -0.00 -0.77 -2.53 115.15 112.88 2wpx h HIS 108 Ca 0.17 -0.11 0.08 0.00 -0.00 0.00 0.00 60.37 60.52 2wpx h HIS 108 Cb 0.43 -0.15 -0.09 0.00 -0.00 0.00 0.00 27.41 27.60 2wpx h HIS 108 CO 0.03 0.68 -0.38 0.00 -0.00 0.00 0.00 177.93 178.26 2wpx h ALA 109 N 0.82 -0.28 -0.88 5.26 0.00 0.02 0.49 119.26 124.70 2wpx h ALA 109 Ca 0.08 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2wpx h ALA 109 Cb 0.46 0.80 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2wpx h ALA 109 CO 0.02 -0.78 0.57 0.00 0.00 0.00 0.00 179.25 179.06 2wpx h ARG 110 N -0.28 0.94 -0.52 0.00 3.08 -1.17 -0.18 114.38 116.25 2wpx h ARG 110 Ca 0.16 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 2wpx h ARG 110 Cb 0.56 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 2wpx h ARG 110 CO -0.57 0.62 0.24 1.49 -1.07 0.00 0.00 179.97 180.68 2wpx h GLU 111 N 0.97 0.75 -0.52 0.04 4.81 -0.94 -1.64 114.58 118.06 2wpx h GLU 111 Ca 0.39 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2wpx h GLU 111 Cb 0.25 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2wpx h GLU 111 CO -0.15 0.63 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.60 2wpx h LEU 112 N 0.69 0.98 -0.83 1.64 3.38 -0.20 -0.05 115.31 120.91 2wpx h LEU 112 Ca 0.18 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2wpx h LEU 112 Cb 0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2wpx h LEU 112 CO -0.02 1.10 0.55 0.00 0.09 0.00 0.00 178.44 180.16 2wpx h ALA 113 N 0.92 1.06 -0.43 1.53 0.00 -1.02 -1.81 119.26 119.51 2wpx h ALA 113 Ca 0.14 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2wpx h ALA 113 Cb 0.65 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wpx h ALA 113 CO 0.04 0.45 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 2wpx h ARG 114 N 1.12 0.86 -0.29 0.00 3.08 -0.99 0.23 114.38 118.38 2wpx h ARG 114 Ca 0.31 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2wpx h ARG 114 Cb -0.11 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 2wpx h ARG 114 CO -0.07 1.00 0.03 -0.22 -1.07 0.00 0.00 179.97 179.63 2wpx h LYS 115 N 0.75 0.43 -0.53 0.04 3.64 -0.32 -2.15 116.57 118.43 2wpx h LYS 115 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wpx h LYS 115 Cb 0.76 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2wpx h LYS 115 CO 0.06 0.44 0.00 0.72 -2.27 0.00 0.00 179.45 178.40 2wpx n HIS 116 N -4.34 0.79 -2.21 1.91 8.25 -0.75 -4.93 115.22 113.94 2wpx n HIS 116 Ca 0.01 -0.34 -0.17 0.00 -0.26 0.00 0.00 57.72 56.96 2wpx n HIS 116 Cb 0.20 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 0.69 -5.06 -4.74 0.41 10.43 -0.81 -4.98 116.55 112.49 2wpx n ASP 117 Ca 0.15 0.04 -0.37 0.00 2.57 0.00 0.00 54.79 57.19 2wpx n ASP 117 Cb 0.50 -4.14 -0.07 0.00 1.84 0.00 0.00 41.12 39.26 2wpx n ASP 117 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2wpx s ARG 118 N -4.67 4.20 0.20 -1.24 1.81 0.76 -4.84 118.95 115.17 2wpx s ARG 118 Ca 0.00 0.17 0.13 0.00 -1.72 0.00 0.00 55.73 54.32 2wpx s ARG 118 Cb 0.00 -3.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.06 2wpx s ARG 118 CO 0.00 0.29 1.29 1.15 -0.68 0.00 0.00 175.30 177.35 2wpx h THR 119 N 4.57 1.02 -3.91 0.02 2.02 -1.48 -3.35 112.91 111.78 2wpx h THR 119 Ca -0.43 -2.49 -0.39 0.00 0.77 0.00 0.00 66.41 63.87 2wpx h THR 119 Cb 1.17 2.47 -0.30 0.00 -1.74 0.00 0.00 68.15 69.76 2wpx h THR 119 CO 0.74 0.58 -0.78 -0.89 0.37 0.00 0.00 175.52 175.54 2wpx s THR 120 N -2.88 0.66 -0.13 3.16 2.01 -1.09 -1.66 115.64 115.72 2wpx s THR 120 Ca 0.02 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 2wpx s THR 120 Cb 0.08 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 2wpx s THR 120 CO 0.78 0.20 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.63 2wpx s LEU 121 N -0.01 3.15 0.18 4.42 2.96 -0.21 0.10 118.68 129.27 2wpx s LEU 121 Ca 0.00 -0.13 0.07 0.00 -0.22 0.00 0.00 54.13 53.86 2wpx s LEU 121 Cb -0.05 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2wpx s LEU 121 CO -0.00 0.22 -0.14 0.42 -1.32 0.00 0.00 176.35 175.53 2wpx s THR 122 N 0.02 1.58 -0.15 3.68 -4.23 -0.05 -0.81 115.64 115.68 2wpx s THR 122 Ca -0.01 -2.07 -0.23 0.00 -1.18 0.00 0.00 61.69 58.21 2wpx s THR 122 Cb -0.14 -1.90 0.06 0.00 1.34 0.00 0.00 72.50 71.86 2wpx s THR 122 CO 0.03 -0.56 0.59 0.00 -0.54 0.00 0.00 174.62 174.14 2wpx s ALA 123 N -2.78 -1.48 -0.23 3.99 0.00 -0.33 -0.36 121.76 120.57 2wpx s ALA 123 Ca 0.18 1.43 -0.09 0.00 0.00 0.00 0.00 51.96 53.48 2wpx s ALA 123 Cb -0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 2wpx s ALA 123 CO 0.05 -0.30 0.13 0.99 0.00 0.00 0.00 175.76 176.62 2wpx s THR 124 N -0.28 5.09 -0.06 0.00 2.01 -1.26 -0.26 115.64 120.87 2wpx s THR 124 Ca -0.05 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2wpx s THR 124 Cb -0.03 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 2wpx s THR 124 CO 0.04 0.36 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.45 2wpx s VAL 125 N 1.03 2.64 -0.17 3.82 1.01 0.56 -4.90 120.40 124.38 2wpx s VAL 125 Ca 0.06 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 2wpx s VAL 125 Cb -0.14 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2wpx s VAL 125 CO 0.04 0.57 0.84 -0.69 0.00 0.00 0.00 175.10 175.86 2wpx s VAL 126 N -0.33 4.87 0.31 2.92 1.01 -1.26 -0.67 120.40 127.25 2wpx s VAL 126 Ca 0.02 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.69 2wpx s VAL 126 Cb -0.13 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2wpx s VAL 126 CO 0.02 0.02 0.14 -1.61 0.00 0.00 0.00 175.10 173.67 2wpx s GLU 127 N 2.18 1.60 0.43 2.72 2.02 -0.05 -4.71 118.70 122.90 2wpx s GLU 127 Ca 0.39 -1.91 -0.19 0.00 0.02 0.00 0.00 54.97 53.27 2wpx s GLU 127 Cb -0.17 -0.25 -0.10 0.00 0.10 0.00 0.00 34.13 33.71 2wpx s GLU 127 CO 0.12 -0.40 0.92 -1.12 0.02 0.00 0.00 175.26 174.80 2wpx s SER 128 N -3.40 6.85 0.35 -0.19 0.01 -1.26 -0.85 113.70 115.22 2wpx s SER 128 Ca 0.35 1.60 -0.12 0.00 1.31 0.00 0.00 55.95 59.09 2wpx s SER 128 Cb 0.06 -2.51 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 2wpx s SER 128 CO 0.16 -0.38 0.73 -0.76 0.41 0.00 0.00 173.24 173.40 2wpx s LEU 129 N -3.34 3.96 0.18 2.44 1.43 -1.26 -4.64 118.68 117.45 2wpx s LEU 129 Ca 0.60 1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 54.72 2wpx s LEU 129 Cb -0.09 -3.99 0.11 0.00 0.03 0.00 0.00 46.19 42.25 2wpx s LEU 129 CO 0.17 -0.29 1.80 1.55 0.23 0.00 0.00 176.35 179.81 2wpx h PRO 130 N 1.76 0.52 0.42 1.29 0.13 -1.98 -2.84 132.00 131.30 2wpx h PRO 130 Ca -0.47 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2wpx h PRO 130 Cb 1.18 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2wpx h PRO 130 CO 0.65 0.34 -0.20 0.66 -0.23 0.00 0.00 178.00 179.22 2wpx h SER 131 N 0.54 -0.48 -3.31 1.44 4.64 -1.98 -3.49 113.55 110.91 2wpx h SER 131 Ca 0.21 -0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 61.15 2wpx h SER 131 Cb 0.08 0.12 0.14 0.00 -0.31 0.00 0.00 62.40 62.44 2wpx h SER 131 CO -0.12 -0.26 0.26 0.61 -0.87 0.00 0.00 176.83 176.45 2wpx n GLY 132 N -1.03 -1.80 3.65 -0.77 0.00 -1.07 -4.96 105.19 99.21 2wpx n GLY 132 Ca -0.11 -1.64 -0.48 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.49 1.91 -2.06 1.61 -0.02 -1.26 -4.69 135.00 126.99 2wpx n PRO 133 Ca 0.13 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 2wpx n PRO 133 Cb 0.46 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 2wpx n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpx s ALA 134 N 0.97 3.57 0.26 3.55 0.00 -1.26 -4.61 121.76 124.23 2wpx s ALA 134 Ca 0.81 1.29 0.08 0.00 0.00 0.00 0.00 51.96 54.14 2wpx s ALA 134 Cb -0.75 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 18.81 2wpx s ALA 134 CO 0.41 -0.70 0.09 -0.65 0.00 0.00 0.00 175.76 174.91 2wpx s GLN 135 N -0.94 2.61 -0.14 0.00 -1.52 -1.26 -5.04 119.66 113.36 2wpx s GLN 135 Ca 0.55 -1.23 -0.34 0.00 -1.95 0.00 0.00 55.36 52.39 2wpx s GLN 135 Cb -0.41 -2.36 -0.11 0.00 -0.22 0.00 0.00 33.01 29.91 2wpx s GLN 135 CO 0.47 0.38 1.96 -3.47 -0.25 0.00 0.00 175.29 174.39 2wpx n ASP 136 N -1.02 3.25 -0.00 5.90 4.64 -1.26 -4.83 116.55 123.23 2wpx n ASP 136 Ca -0.07 0.81 0.15 0.00 -1.38 0.00 0.00 54.79 54.30 2wpx n ASP 136 Cb 0.58 -1.37 0.76 0.00 -1.04 0.00 0.00 41.12 40.05 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 7.10 0.47 -0.10 -0.67 -0.04 -1.26 -4.28 135.00 136.22 2wpx n PRO 137 Ca 0.26 -0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2wpx n PRO 137 Cb 0.30 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 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 5.00 -1.35 -0.05 0.55 0.00 -1.94 -0.78 103.07 104.50 2wpx h GLY 138 Ca 0.00 0.77 0.12 0.00 0.00 0.00 0.00 47.33 48.22 2wpx h GLY 138 CO 0.00 -0.34 -0.04 -2.55 0.00 0.00 0.00 176.54 173.61 2wpx h PRO 139 N -0.25 0.08 -0.52 4.80 0.11 -1.88 0.65 132.00 134.99 2wpx h PRO 139 Ca 0.05 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.06 2wpx h PRO 139 Cb 0.38 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 2wpx h PRO 139 CO -0.40 0.05 -0.06 0.00 -0.21 0.00 0.00 178.00 177.37 2wpx h ALA 140 N 1.55 0.91 -0.47 -0.75 0.00 -1.81 0.55 119.26 119.23 2wpx h ALA 140 Ca 0.30 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2wpx h ALA 140 Cb 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2wpx h ALA 140 CO -0.53 0.64 -0.17 0.00 0.00 0.00 0.00 179.25 179.19 2wpx h ALA 141 N 1.08 0.81 0.20 0.00 0.00 0.47 -0.13 119.26 121.69 2wpx h ALA 141 Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2wpx h ALA 141 Cb 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wpx h ALA 141 CO 0.04 0.65 -0.09 0.35 0.00 0.00 0.00 179.25 180.19 2wpx h PHE 142 N 0.80 -0.24 -0.66 0.00 3.57 0.51 -1.69 116.94 119.23 2wpx h PHE 142 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2wpx h PHE 142 Cb 0.71 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 2wpx h PHE 142 CO 0.04 -0.15 0.43 0.00 -2.23 0.00 0.00 178.31 176.41 2wpx h ALA 143 N 0.54 0.84 -0.69 2.41 0.00 0.34 0.24 119.26 122.95 2wpx h ALA 143 Ca -0.03 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2wpx h ALA 143 Cb 0.21 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2wpx h ALA 143 CO 0.04 0.28 0.45 0.00 0.00 0.00 0.00 179.25 180.02 2wpx h ALA 144 N 1.24 1.65 -0.00 0.00 0.00 -1.04 -2.09 119.26 119.01 2wpx h ALA 144 Ca 0.24 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 2wpx h ALA 144 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2wpx h ALA 144 CO -0.05 0.27 -0.74 0.00 0.00 0.00 0.00 179.25 178.72 2wpx h ALA 145 N 1.61 0.76 0.00 0.00 0.00 0.35 -2.10 119.26 119.88 2wpx h ALA 145 Ca 0.28 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wpx h ALA 145 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wpx h ALA 145 CO -0.08 0.90 0.00 -1.33 0.00 0.00 0.00 179.25 178.74 2wpx n MET 146 N -3.68 0.21 -0.41 0.00 2.81 0.09 -4.91 117.12 111.22 2wpx n MET 146 Ca -0.01 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2wpx n MET 146 Cb 0.72 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.73 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 0.48 0.77 3.89 3.03 0.00 -0.79 -5.06 105.19 107.51 2wpx n GLY 147 Ca 0.08 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.23 0.12 4.61 0.00 -0.82 -4.71 121.76 122.19 2wpx s ALA 148 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2wpx s ALA 148 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2wpx s ALA 148 CO 0.00 -0.65 -0.13 -1.01 0.00 0.00 0.00 175.76 173.97 2wpx s HIS 149 N -3.00 1.35 0.21 0.00 3.76 -0.00 -4.34 115.29 113.27 2wpx s HIS 149 Ca 0.52 -0.58 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 2wpx s HIS 149 Cb -0.11 -0.71 -0.09 0.00 1.11 0.00 0.00 32.58 32.79 2wpx s HIS 149 CO 0.49 0.13 1.29 1.03 -0.85 0.00 0.00 174.74 176.82 2wpx s ARG 150 N -2.78 4.40 0.42 1.40 0.52 -1.26 -0.88 118.95 120.78 2wpx s ARG 150 Ca 0.09 2.04 -0.22 0.00 -0.52 0.00 0.00 55.73 57.12 2wpx s ARG 150 Cb -0.04 -3.19 -0.10 0.00 0.52 0.00 0.00 34.95 32.15 2wpx s ARG 150 CO 0.03 -0.21 1.00 -1.12 0.02 0.00 0.00 175.30 175.01 2wpx s SER 151 N 0.19 6.78 -1.38 0.23 0.01 0.59 -4.88 113.70 115.24 2wpx s SER 151 Ca 0.55 1.87 -0.09 0.00 1.31 0.00 0.00 55.95 59.59 2wpx s SER 151 Cb -0.36 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.39 2wpx s SER 151 CO 0.40 -0.47 2.26 -0.67 0.41 0.00 0.00 173.24 175.16 2wpx n ASP 152 N -0.41 6.22 -4.15 2.44 4.64 -1.26 -4.85 116.55 119.18 2wpx n ASP 152 Ca 0.06 -2.98 -0.10 0.00 -1.38 0.00 0.00 54.79 50.40 2wpx n ASP 152 Cb 0.52 -1.50 -0.10 0.00 -1.04 0.00 0.00 41.12 39.00 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 0.84 0.60 -0.00 5.18 -4.36 -1.26 -5.11 121.20 117.08 2wpx s ILE 153 Ca 0.50 -1.86 -0.36 0.00 -0.26 0.00 0.00 60.65 58.66 2wpx s ILE 153 Cb 0.14 -1.59 -0.15 0.00 1.25 0.00 0.00 42.46 42.12 2wpx s ILE 153 CO -0.05 -0.87 1.57 -2.65 0.24 0.00 0.00 174.94 173.19 2wpx n PRO 154 N 0.08 1.56 -1.38 0.37 -0.02 -1.26 -4.86 135.00 129.49 2wpx n PRO 154 Ca -0.13 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 2wpx n PRO 154 Cb 0.60 -2.28 0.14 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.83 1.64 -0.05 3.55 0.00 -1.26 -4.79 121.76 122.67 2wpx s ALA 155 Ca 0.87 -0.31 -0.13 0.00 0.00 0.00 0.00 51.96 52.39 2wpx s ALA 155 Cb -0.87 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.09 2wpx s ALA 155 CO 0.50 -2.30 0.34 0.20 0.00 0.00 0.00 175.76 174.50 2wpx s GLY 156 N -3.73 2.38 -0.29 0.00 0.00 -0.22 -0.58 107.32 104.88 2wpx s GLY 156 Ca 0.63 -0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.89 2wpx s GLY 156 CO 0.55 0.11 0.30 -1.59 0.00 0.00 0.00 173.10 172.47 2wpx s THR 157 N -0.80 5.23 -0.26 0.90 2.01 0.32 -0.72 115.64 122.31 2wpx s THR 157 Ca 0.21 0.30 -0.11 0.00 0.31 0.00 0.00 61.69 62.40 2wpx s THR 157 Cb -0.15 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2wpx s THR 157 CO 0.10 0.14 0.20 -2.28 -0.69 0.00 0.00 174.62 172.09 2wpx s HIS 158 N 1.93 3.26 0.17 4.92 2.46 -0.48 -1.88 115.29 125.67 2wpx s HIS 158 Ca 0.11 0.18 0.10 0.00 0.47 0.00 0.00 55.06 55.92 2wpx s HIS 158 Cb -0.16 -2.36 -0.04 0.00 -0.13 0.00 0.00 32.58 29.89 2wpx s HIS 158 CO 0.11 -0.09 -0.20 -0.65 -2.47 0.00 0.00 174.74 171.44 2wpx s GLN 159 N 1.53 1.36 -0.02 2.88 -0.21 0.79 -1.14 119.66 124.85 2wpx s GLN 159 Ca 0.08 -1.44 0.05 0.00 0.02 0.00 0.00 55.36 54.07 2wpx s GLN 159 Cb -0.15 -1.52 -0.01 0.00 1.00 0.00 0.00 33.01 32.33 2wpx s GLN 159 CO 0.09 0.32 -0.17 -1.58 -2.12 0.00 0.00 175.29 171.82 2wpx s TRP 160 N -1.88 1.54 -0.16 0.91 0.52 0.46 -2.10 118.94 118.23 2wpx s TRP 160 Ca 0.17 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 56.00 2wpx s TRP 160 Cb -0.07 -0.99 0.00 0.00 -1.15 0.00 0.00 33.47 31.26 2wpx s TRP 160 CO 0.08 -0.04 -0.17 -1.17 0.02 0.00 0.00 176.95 175.67 2wpx s LEU 161 N -0.37 2.38 -0.36 2.99 2.96 0.02 -0.12 118.68 126.19 2wpx s LEU 161 Ca 0.06 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2wpx s LEU 161 Cb -0.07 -1.54 0.08 0.00 0.50 0.00 0.00 46.19 45.17 2wpx s LEU 161 CO -0.00 0.07 0.12 -0.62 -1.32 0.00 0.00 176.35 174.59 2wpx s ASP 162 N 0.89 5.11 0.66 3.68 -1.08 -1.26 -0.78 116.67 123.89 2wpx s ASP 162 Ca -0.04 -1.69 0.41 0.00 -0.52 0.00 0.00 52.55 50.70 2wpx s ASP 162 Cb -0.15 -1.78 2.24 0.00 -1.46 0.00 0.00 42.92 41.77 2wpx s ASP 162 CO -0.02 -0.42 2.29 -0.07 0.52 0.00 0.00 175.17 177.47 2wpx h LEU 163 N 8.02 0.00 -0.08 -1.34 4.07 -0.80 0.33 115.31 125.51 2wpx h LEU 163 Ca -0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.80 2wpx h LEU 163 Cb 1.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.79 2wpx h LEU 163 CO 0.62 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 178.45 2wpx n ASP 164 N -3.14 0.39 -0.11 -0.43 10.43 -1.26 -3.66 116.55 118.78 2wpx n ASP 164 Ca -0.03 0.55 -0.13 0.00 2.57 0.00 0.00 54.79 57.75 2wpx n ASP 164 Cb 0.13 -0.65 -0.13 0.00 1.84 0.00 0.00 41.12 42.31 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 -1.88 0.78 -3.69 -1.24 0.63 0.11 -4.99 116.66 106.38 2wpx n ARG 165 Ca 0.06 0.06 -0.11 0.00 -0.92 0.00 0.00 57.85 56.94 2wpx n ARG 165 Cb 0.34 -1.48 -0.12 0.00 0.45 0.00 0.00 32.46 31.66 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 -2.46 -0.54 -0.53 -0.14 5.04 -0.56 -5.08 115.29 111.02 2wpx s HIS 166 Ca -0.20 1.15 -0.16 0.00 -1.54 0.00 0.00 55.06 54.31 2wpx s HIS 166 Cb 0.07 0.16 0.12 0.00 0.04 0.00 0.00 32.58 32.97 2wpx s HIS 166 CO 0.66 -0.35 0.48 0.34 -2.34 0.00 0.00 174.74 173.53 2wpx s ASP 167 N 1.80 6.16 0.01 9.88 3.68 -1.26 -4.12 116.67 132.81 2wpx s ASP 167 Ca -0.06 -1.73 0.12 0.00 2.13 0.00 0.00 52.55 53.01 2wpx s ASP 167 Cb -0.10 -2.20 0.51 0.00 -1.45 0.00 0.00 42.92 39.68 2wpx s ASP 167 CO -0.11 -0.82 1.38 -0.81 0.13 0.00 0.00 175.17 174.94 2wpx n PRO 168 N 5.22 0.01 -0.46 4.34 -0.04 -1.26 -1.82 135.00 140.99 2wpx n PRO 168 Ca -0.13 0.31 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 2wpx n PRO 168 Cb 0.41 -1.51 0.29 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.53 4.10 0.23 1.53 4.77 -1.26 -4.46 117.00 120.38 2wpx n LEU 169 Ca 0.03 -2.39 0.08 0.00 -0.03 0.00 0.00 56.01 53.70 2wpx n LEU 169 Cb 0.14 -0.48 0.63 0.00 -2.33 0.00 0.00 43.42 41.37 2wpx n LEU 169 CO 0.11 0.79 1.08 0.00 -1.33 0.00 0.00 177.39 178.04 2wpx h ALA 170 N 3.23 2.00 -0.91 -1.18 0.00 -1.78 -1.09 119.26 119.52 2wpx h ALA 170 Ca 0.00 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 2wpx h ALA 170 Cb 1.23 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.71 2wpx h ALA 170 CO 0.15 -0.00 0.50 -0.25 0.00 0.00 0.00 179.25 179.65 2wpx n ASP 171 N -4.53 6.21 -0.51 0.00 8.00 -1.26 -5.07 116.55 119.38 2wpx n ASP 171 Ca -0.02 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.72 2wpx n ASP 171 Cb 0.11 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 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 -0.94 -0.28 3.82 0.44 0.00 -0.41 -4.74 105.19 103.08 2wpx n GLY 172 Ca 0.57 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 5.19 0.82 1.61 1.01 -1.26 -4.78 120.40 122.99 2wpx s VAL 173 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.96 2wpx s VAL 173 Cb 0.00 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 33.22 2wpx s VAL 173 CO 0.00 0.61 1.11 -2.84 0.00 0.00 0.00 175.10 173.98 2wpx s PRO 174 N -0.97 1.86 0.44 2.72 0.02 -1.26 -4.98 135.00 132.83 2wpx s PRO 174 Ca 0.14 1.25 -0.24 0.00 0.02 0.00 0.00 61.00 62.17 2wpx s PRO 174 Cb -0.12 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.48 2wpx s PRO 174 CO 0.03 -1.95 1.24 0.00 -0.33 0.00 0.00 177.00 176.00 2wpx s ALA 175 N -2.84 3.09 0.01 -1.55 0.00 -1.26 -5.00 121.76 114.20 2wpx s ALA 175 Ca 0.63 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 53.38 2wpx s ALA 175 Cb -0.19 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2wpx s ALA 175 CO 0.57 -0.79 1.26 0.08 0.00 0.00 0.00 175.76 176.87 2wpx s VAL 176 N -1.39 4.01 0.59 0.00 1.01 -1.26 -5.02 120.40 118.34 2wpx s VAL 176 Ca 0.61 1.39 -0.19 0.00 0.00 0.00 0.00 61.98 63.79 2wpx s VAL 176 Cb -0.34 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2wpx s VAL 176 CO 0.42 0.04 1.26 -2.16 0.00 0.00 0.00 175.10 174.66 2wpx s PRO 177 N 1.82 2.95 0.38 2.72 0.04 -1.26 -4.89 135.00 136.75 2wpx s PRO 177 Ca 0.59 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 63.33 2wpx s PRO 177 Cb -0.28 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 2wpx s PRO 177 CO 0.26 -1.26 1.31 0.00 0.04 0.00 0.00 177.00 177.35 2wpx n ALA 178 N -1.48 1.45 0.00 8.56 0.00 -1.26 -1.40 120.51 126.38 2wpx n ALA 178 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2wpx n ALA 178 Cb 0.48 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2wpx n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpx n GLY 179 N 0.74 1.79 3.56 0.00 0.00 -1.26 -5.06 105.19 104.96 2wpx n GLY 179 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.33 2.58 0.02 1.61 1.51 -0.50 -0.35 117.35 119.89 2wpx s TYR 180 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 2wpx s TYR 180 Cb 0.00 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 2wpx s TYR 180 CO 0.00 0.55 -0.03 -1.54 -1.11 0.00 0.00 175.55 173.42 2wpx s SER 181 N -3.04 0.29 0.03 2.29 1.04 -0.24 -4.82 113.70 109.25 2wpx s SER 181 Ca 0.26 -0.44 -0.27 0.00 0.48 0.00 0.00 55.95 55.98 2wpx s SER 181 Cb -0.08 0.08 -0.05 0.00 0.10 0.00 0.00 66.02 66.07 2wpx s SER 181 CO 0.15 -0.25 0.83 -0.76 0.98 0.00 0.00 173.24 174.20 2wpx s LEU 182 N -1.28 4.42 0.16 2.42 1.43 -1.26 -0.56 118.68 124.01 2wpx s LEU 182 Ca -0.13 1.51 0.10 0.00 -1.03 0.00 0.00 54.13 54.57 2wpx s LEU 182 Cb -0.09 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 2wpx s LEU 182 CO -0.01 -0.08 -0.21 0.54 0.23 0.00 0.00 176.35 176.82 2wpx s VAL 183 N 0.33 2.04 0.06 -1.59 0.11 0.71 -4.96 120.40 117.09 2wpx s VAL 183 Ca 0.43 -1.89 0.04 0.00 -2.93 0.00 0.00 61.98 57.62 2wpx s VAL 183 Cb -0.21 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.70 2wpx s VAL 183 CO 0.24 -0.17 -0.12 0.42 -3.33 0.00 0.00 175.10 172.15 2wpx s THR 184 N -1.69 0.91 0.12 5.04 -4.23 -1.26 0.14 115.64 114.67 2wpx s THR 184 Ca 0.16 -1.27 -0.20 0.00 -1.18 0.00 0.00 61.69 59.19 2wpx s THR 184 Cb -0.08 -0.96 0.05 0.00 1.34 0.00 0.00 72.50 72.86 2wpx s THR 184 CO 0.07 -0.31 0.51 -1.66 -0.54 0.00 0.00 174.62 172.70 2wpx s TRP 185 N -1.43 -0.40 0.00 3.99 -2.14 -0.22 -4.98 118.94 113.76 2wpx s TRP 185 Ca -0.04 0.21 0.00 0.00 2.66 0.00 0.00 56.10 58.93 2wpx s TRP 185 Cb -0.09 0.41 0.00 0.00 -3.10 0.00 0.00 33.47 30.68 2wpx s TRP 185 CO 0.01 -0.75 0.00 0.41 -2.66 0.00 0.00 176.95 173.96 2wpx n GLY 186 N -0.15 0.91 0.13 3.67 0.00 -1.26 0.03 105.19 108.53 2wpx n GLY 186 Ca -0.17 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 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 1.49 -3.29 2.61 2.02 -1.94 -3.40 112.91 110.41 2wpx h THR 187 Ca 0.00 -2.49 -0.64 0.00 0.77 0.00 0.00 66.41 64.05 2wpx h THR 187 Cb 0.00 2.35 -0.18 0.00 -1.74 0.00 0.00 68.15 68.58 2wpx h THR 187 CO 0.00 0.72 -0.62 -0.63 0.37 0.00 0.00 175.52 175.36 2wpx s ILE 188 N -3.34 4.32 -0.20 3.11 -1.09 -1.26 -4.81 121.20 117.94 2wpx s ILE 188 Ca -0.02 -0.21 -0.29 0.00 -2.23 0.00 0.00 60.65 57.90 2wpx s ILE 188 Cb 0.11 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.09 2wpx s ILE 188 CO 0.81 0.50 1.05 0.28 -1.23 0.00 0.00 174.94 176.35 2wpx s THR 189 N 0.11 4.66 0.26 2.92 -1.32 -1.26 -4.99 115.64 116.02 2wpx s THR 189 Ca 0.02 1.99 -0.30 0.00 -1.21 0.00 0.00 61.69 62.19 2wpx s THR 189 Cb -0.13 -4.28 -0.14 0.00 -1.51 0.00 0.00 72.50 66.44 2wpx s THR 189 CO 0.02 -0.14 1.15 -2.65 -2.21 0.00 0.00 174.62 170.79 2wpx n PRO 190 N 6.05 1.52 -0.31 7.08 -0.02 -1.26 -4.80 135.00 143.26 2wpx n PRO 190 Ca 0.11 0.54 0.24 0.00 -2.02 0.00 0.00 63.50 62.37 2wpx n PRO 190 Cb 0.46 -2.02 0.45 0.00 -0.02 0.00 0.00 33.50 32.38 2wpx n PRO 190 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wpx n ASP 191 N 1.53 0.17 -0.28 2.55 9.92 -1.26 -1.06 116.55 128.12 2wpx n ASP 191 Ca 0.11 1.58 0.18 0.00 -0.53 0.00 0.00 54.79 56.13 2wpx n ASP 191 Cb 0.31 -0.70 0.47 0.00 -0.64 0.00 0.00 41.12 40.57 2wpx n ASP 191 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2wpx h GLU 192 N 0.00 0.46 -0.10 -1.24 4.81 -2.04 -2.80 114.58 113.67 2wpx h GLU 192 Ca 0.71 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.92 2wpx h GLU 192 Cb 1.77 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 31.04 2wpx h GLU 192 CO -0.78 0.31 0.00 0.66 -0.73 0.00 0.00 179.01 178.46 2wpx n TYR 193 N -4.57 0.11 0.18 0.92 4.02 -0.23 -4.60 117.16 113.00 2wpx n TYR 193 Ca 0.21 -0.09 -0.12 0.00 -0.01 0.00 0.00 57.90 57.89 2wpx n TYR 193 Cb 0.70 -0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.94 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 3.03 -0.51 -0.69 -0.72 0.00 -1.41 -0.49 119.26 118.48 2wpx h ALA 194 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2wpx h ALA 194 Cb 0.68 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2wpx h ALA 194 CO 0.00 -0.57 0.20 0.28 0.00 0.00 0.00 179.25 179.16 2wpx h VAL 195 N -0.93 1.26 -0.91 0.00 2.07 -1.83 -1.81 116.25 114.11 2wpx h VAL 195 Ca -0.05 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2wpx h VAL 195 Cb 0.54 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2wpx h VAL 195 CO 0.08 0.35 0.56 -0.65 0.02 0.00 0.00 177.57 177.94 2wpx h PRO 196 N 1.02 1.22 -1.00 1.57 0.11 -1.81 -0.46 132.00 132.64 2wpx h PRO 196 Ca 0.22 -0.10 0.04 0.00 0.11 0.00 0.00 66.00 66.27 2wpx h PRO 196 Cb 0.33 -0.26 -0.06 0.00 0.11 0.00 0.00 31.00 31.12 2wpx h PRO 196 CO -0.00 0.84 0.66 0.28 -0.21 0.00 0.00 178.00 179.56 2wpx h VAL 197 N 1.24 1.16 0.00 3.15 2.07 -0.83 -2.51 116.25 120.54 2wpx h VAL 197 Ca 0.33 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 2wpx h VAL 197 Cb -0.08 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.46 2wpx h VAL 197 CO -0.06 0.23 -0.70 0.77 0.02 0.00 0.00 177.57 177.82 2wpx h SER 198 N 1.26 0.00 0.64 0.57 4.64 -0.30 -2.81 113.55 117.54 2wpx h SER 198 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2wpx h SER 198 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2wpx h SER 198 CO -0.13 0.70 0.00 -1.84 -0.87 0.00 0.00 176.83 174.69 2wpx n GLU 199 N -3.41 0.34 -0.66 4.77 0.28 -0.32 -2.80 120.64 118.84 2wpx n GLU 199 Ca 0.00 0.01 -0.08 0.00 -0.16 0.00 0.00 57.16 56.93 2wpx n GLU 199 Cb 0.77 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 32.16 2wpx n GLU 199 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2wpx n LEU 200 N -1.33 5.71 -0.89 -1.84 4.32 -0.96 -2.72 117.00 119.28 2wpx n LEU 200 Ca 0.13 -2.78 0.08 0.00 -0.02 0.00 0.00 56.01 53.42 2wpx n LEU 200 Cb 0.25 -1.04 0.25 0.00 -1.62 0.00 0.00 43.42 41.27 2wpx n LEU 200 CO 0.23 1.07 0.70 -0.62 -1.22 0.00 0.00 177.39 177.56 2wpx n GLU 201 N 0.81 2.98 -1.75 3.23 -0.58 -1.12 -4.95 120.64 119.27 2wpx n GLU 201 Ca 0.15 -2.75 -0.30 0.00 -0.42 0.00 0.00 57.16 53.84 2wpx n GLU 201 Cb 0.57 -1.79 0.06 0.00 -0.57 0.00 0.00 31.44 29.71 2wpx n GLU 201 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2wpx s LEU 202 N -2.59 2.80 0.00 -4.62 0.05 -1.10 -5.19 118.68 108.03 2wpx s LEU 202 Ca 0.40 1.22 0.00 0.00 0.05 0.00 0.00 54.13 55.80 2wpx s LEU 202 Cb 0.32 -3.95 0.00 0.00 -2.05 0.00 0.00 46.19 40.51 2wpx s LEU 202 CO 0.10 -1.58 0.00 -1.14 -0.55 0.00 0.00 176.35 173.18 2wpx n ARG 211 N -3.17 -1.97 0.00 1.48 3.00 -1.26 -4.73 116.66 110.01 2wpx n ARG 211 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2wpx n ARG 211 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 2wpx n ARG 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wpx n ALA 212 N 0.00 0.00 -2.65 5.13 0.00 -1.26 -4.94 120.51 116.79 2wpx n ALA 212 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2wpx n ALA 212 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wpx n ALA 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wpx s ALA 213 N -1.99 2.97 0.28 0.00 0.00 -1.26 -5.01 121.76 116.74 2wpx s ALA 213 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 51.96 50.60 2wpx s ALA 213 Cb 0.00 -4.02 -0.00 0.00 0.00 0.00 0.00 23.12 19.10 2wpx s ALA 213 CO 0.00 -2.87 0.02 0.00 0.00 0.00 0.00 175.76 172.91 2wpx n GLN 214 N 8.42 1.17 0.00 0.00 10.64 -1.26 -5.08 117.38 131.26 2wpx n GLN 214 Ca 0.02 -2.07 0.00 0.00 -1.83 0.00 0.00 57.00 53.12 2wpx n GLN 214 Cb 0.48 0.68 0.00 0.00 -0.86 0.00 0.00 30.24 30.54 2wpx n GLN 214 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 2wpx n GLU 215 N -0.67 2.86 -4.38 2.61 1.02 -1.26 -5.11 120.64 115.71 2wpx n GLU 215 Ca -0.10 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.76 2wpx n GLU 215 Cb 0.36 -0.37 -0.12 0.00 -0.02 0.00 0.00 31.44 31.29 2wpx n GLU 215 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2wpx s VAL 216 N -0.35 2.43 0.03 2.62 -7.23 -1.26 -5.13 120.40 111.52 2wpx s VAL 216 Ca 0.00 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2wpx s VAL 216 Cb 0.00 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 2wpx s VAL 216 CO 0.00 0.03 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.11 2wpx s ARG 217 N -2.26 0.72 0.08 4.82 3.52 -1.26 -5.15 118.95 119.43 2wpx s ARG 217 Ca 0.17 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 55.12 2wpx s ARG 217 Cb -0.10 -0.66 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 2wpx s ARG 217 CO 0.08 0.16 0.11 0.99 -0.81 0.00 0.00 175.30 175.83 2wpx s THR 218 N -0.90 4.70 0.15 4.11 2.01 -1.26 -5.12 115.64 119.33 2wpx s THR 218 Ca -0.02 -0.72 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 2wpx s THR 218 Cb -0.08 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.19 2wpx s THR 218 CO 0.01 0.10 0.48 -0.94 -0.69 0.00 0.00 174.62 173.58 2wpx s SER 219 N -2.49 -0.33 0.01 3.53 1.04 -1.26 -4.95 113.70 109.24 2wpx s SER 219 Ca 0.31 -0.26 -0.27 0.00 0.48 0.00 0.00 55.95 56.21 2wpx s SER 219 Cb -0.12 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2wpx s SER 219 CO 0.23 -0.93 0.83 -0.47 0.98 0.00 0.00 173.24 173.88 2wpx s TYR 220 N -3.80 3.68 -0.42 5.02 5.04 -1.26 -4.93 117.35 120.68 2wpx s TYR 220 Ca 0.04 1.51 -0.06 0.00 -2.44 0.00 0.00 57.07 56.12 2wpx s TYR 220 Cb 0.00 -2.93 0.10 0.00 0.35 0.00 0.00 41.96 39.48 2wpx s TYR 220 CO -0.10 0.13 0.24 0.00 -1.34 0.00 0.00 175.55 174.47 2wpx s ALA 221 N 0.50 3.22 0.64 3.97 0.00 -1.26 -4.93 121.76 123.90 2wpx s ALA 221 Ca 0.43 -2.35 0.35 0.00 0.00 0.00 0.00 51.96 50.39 2wpx s ALA 221 Cb -0.20 -2.54 1.96 0.00 0.00 0.00 0.00 23.12 22.34 2wpx s ALA 221 CO 0.24 -1.73 2.16 0.00 0.00 0.00 0.00 175.76 176.43 2wpx h ARG 222 N 8.25 0.00 0.00 0.00 -0.00 -2.01 -1.63 114.38 118.99 2wpx h ARG 222 Ca -0.19 0.00 -0.08 0.00 -0.50 0.00 0.00 59.98 59.21 2wpx h ARG 222 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.02 2wpx h ARG 222 CO 0.74 0.00 -0.39 0.37 0.00 0.00 0.00 179.97 180.69 2wpx h GLN 223 N 0.00 0.00 0.01 0.04 4.15 -1.98 -1.09 115.11 116.23 2wpx h GLN 223 Ca 0.03 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.46 2wpx h GLN 223 Cb 0.33 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 2wpx h GLN 223 CO -0.00 0.39 -0.10 0.74 -1.93 0.00 0.00 178.83 177.93 2wpx h PHE 224 N 0.00 -0.26 -0.50 3.99 0.04 -1.66 0.15 116.94 118.70 2wpx h PHE 224 Ca -0.00 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.81 2wpx h PHE 224 Cb 0.82 0.12 -0.04 0.00 2.20 0.00 0.00 35.95 39.05 2wpx h PHE 224 CO 0.00 -0.16 0.27 0.93 -0.60 0.00 0.00 178.31 178.75 2wpx h GLU 225 N -0.18 0.52 -0.22 1.51 5.08 -1.54 -2.11 114.58 117.64 2wpx h GLU 225 Ca 0.04 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2wpx h GLU 225 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2wpx h GLU 225 CO -0.10 0.34 -0.35 1.79 -1.00 0.00 0.00 179.01 179.70 2wpx h THR 226 N 0.53 1.29 -0.37 1.13 1.35 -0.99 -2.04 112.91 113.81 2wpx h THR 226 Ca 0.21 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2wpx h THR 226 Cb 0.09 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 2wpx h THR 226 CO -0.13 0.45 0.24 -0.03 -0.25 0.00 0.00 175.52 175.80 2wpx h MET 227 N 0.39 0.50 -0.23 4.72 1.85 -0.49 -0.93 114.93 120.74 2wpx h MET 227 Ca 0.04 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.14 2wpx h MET 227 Cb 0.80 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.68 2wpx h MET 227 CO 0.06 0.35 0.00 0.00 -0.40 0.00 0.00 176.91 176.93 2wpx h ARG 228 N 0.50 0.07 -0.56 0.39 -0.00 -1.23 -0.85 114.38 112.71 2wpx h ARG 228 Ca 0.14 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.55 2wpx h ARG 228 Cb -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 29.97 29.90 2wpx h ARG 228 CO -0.03 0.05 0.10 0.28 0.00 0.00 0.00 179.97 180.37 2wpx h VAL 229 N 0.07 1.25 -0.03 2.04 2.07 -1.19 0.17 116.25 120.64 2wpx h VAL 229 Ca 0.11 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 2wpx h VAL 229 Cb 0.14 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2wpx h VAL 229 CO -0.19 0.35 -0.16 1.23 0.02 0.00 0.00 177.57 178.82 2wpx h GLY 230 N 0.81 0.05 -0.38 2.17 0.00 -0.94 0.20 103.07 104.98 2wpx h GLY 230 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2wpx h GLY 230 CO 0.01 0.03 0.00 0.54 0.00 0.00 0.00 176.54 177.12 2wpx n ARG 231 N -4.32 1.46 -1.11 4.80 1.74 -0.34 -4.54 116.66 114.34 2wpx n ARG 231 Ca -0.02 -0.69 -0.04 0.00 -0.77 0.00 0.00 57.85 56.33 2wpx n ARG 231 Cb 0.24 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.96 0.64 3.78 -0.13 0.00 0.06 -2.72 105.19 107.78 2wpx n GLY 232 Ca 0.14 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.69 4.40 0.13 1.61 0.52 0.50 -2.39 118.95 122.04 2wpx s ARG 233 Ca 0.00 0.95 0.07 0.00 -0.52 0.00 0.00 55.73 56.23 2wpx s ARG 233 Cb 0.00 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 2wpx s ARG 233 CO 0.00 0.52 -0.05 0.50 0.02 0.00 0.00 175.30 176.29 2wpx s ARG 234 N -0.84 2.26 0.10 3.54 3.52 0.51 -4.03 118.95 124.01 2wpx s ARG 234 Ca 0.33 -1.05 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 2wpx s ARG 234 Cb -0.21 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.80 2wpx s ARG 234 CO 0.22 0.49 -0.08 0.00 -0.81 0.00 0.00 175.30 175.12 2wpx s ALA 235 N -1.45 1.04 -0.05 6.12 0.00 -1.26 0.43 121.76 126.59 2wpx s ALA 235 Ca 0.24 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2wpx s ALA 235 Cb -0.10 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2wpx s ALA 235 CO 0.16 -0.18 -0.03 0.71 0.00 0.00 0.00 175.76 176.42 2wpx s TYR 236 N -3.33 0.74 -0.03 0.00 1.51 0.14 -3.13 117.35 113.26 2wpx s TYR 236 Ca 0.11 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 2wpx s TYR 236 Cb 0.03 -0.72 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 2wpx s TYR 236 CO -0.03 -0.24 -0.20 -1.01 -1.11 0.00 0.00 175.55 172.95 2wpx s HIS 237 N 1.27 1.89 -0.05 2.71 3.76 0.11 -1.18 115.29 123.80 2wpx s HIS 237 Ca -0.06 -0.47 0.05 0.00 -0.15 0.00 0.00 55.06 54.43 2wpx s HIS 237 Cb -0.14 -1.25 -0.00 0.00 1.11 0.00 0.00 32.58 32.30 2wpx s HIS 237 CO -0.02 -0.12 -0.19 0.99 -0.85 0.00 0.00 174.74 174.55 2wpx s THR 238 N -0.21 1.57 0.12 1.30 2.01 -1.13 -1.05 115.64 118.25 2wpx s THR 238 Ca 0.01 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.28 2wpx s THR 238 Cb -0.10 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2wpx s THR 238 CO 0.01 0.45 -0.17 -0.83 -0.69 0.00 0.00 174.62 173.39 2wpx s GLY 239 N -0.00 1.17 -0.15 4.40 0.00 0.37 -1.92 107.32 111.18 2wpx s GLY 239 Ca -0.04 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 2wpx s GLY 239 CO 0.03 -1.32 -0.12 0.00 0.00 0.00 0.00 173.10 171.68 2wpx s ALA 240 N -1.72 2.63 -0.11 3.20 0.00 0.14 -0.21 121.76 125.68 2wpx s ALA 240 Ca 0.08 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 2wpx s ALA 240 Cb -0.07 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 2wpx s ALA 240 CO 0.04 0.06 0.01 0.08 0.00 0.00 0.00 175.76 175.94 2wpx s VAL 241 N 0.67 4.34 -0.56 0.00 1.01 0.28 -0.27 120.40 125.88 2wpx s VAL 241 Ca -0.06 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 2wpx s VAL 241 Cb -0.15 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.41 2wpx s VAL 241 CO 0.02 0.56 0.89 -2.28 0.00 0.00 0.00 175.10 174.29 2wpx s HIS 242 N -0.46 2.82 0.26 5.22 2.46 -0.17 -1.08 115.29 124.36 2wpx s HIS 242 Ca 0.08 -0.19 -0.01 0.00 0.47 0.00 0.00 55.06 55.42 2wpx s HIS 242 Cb -0.12 -4.01 0.50 0.00 -0.13 0.00 0.00 32.58 28.82 2wpx s HIS 242 CO 0.02 -1.33 1.80 -0.44 -2.47 0.00 0.00 174.74 172.32 2wpx h ASP 243 N 9.29 0.73 0.34 9.88 3.45 -1.01 0.36 116.42 139.45 2wpx h ASP 243 Ca -0.27 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.19 2wpx h ASP 243 Cb 1.08 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.76 2wpx h ASP 243 CO 1.08 0.37 -0.32 0.00 -1.57 0.00 0.00 179.24 178.80 2wpx h ALA 244 N 1.52 1.44 -0.00 3.45 0.00 -1.93 -3.15 119.26 120.59 2wpx h ALA 244 Ca 0.45 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wpx h ALA 244 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wpx h ALA 244 CO -0.29 0.41 -0.15 0.25 0.00 0.00 0.00 179.25 179.46 2wpx n THR 245 N -4.12 0.00 -0.70 0.00 -2.24 -0.89 -5.02 114.28 101.31 2wpx n THR 245 Ca -0.02 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2wpx n THR 245 Cb 0.37 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.92 0.00 3.77 3.38 0.00 0.12 -4.98 105.19 108.40 2wpx n GLY 246 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.71 3.01 -0.57 4.61 0.00 -1.25 -4.74 121.76 122.12 2wpx s ALA 247 Ca 0.00 1.03 -0.28 0.00 0.00 0.00 0.00 51.96 52.71 2wpx s ALA 247 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.71 2wpx s ALA 247 CO 0.00 -0.75 1.52 -1.17 0.00 0.00 0.00 175.76 175.35 2wpx s LEU 248 N -2.94 3.37 0.43 0.00 2.96 -1.26 -0.99 118.68 120.24 2wpx s LEU 248 Ca 0.63 0.31 0.24 0.00 -0.22 0.00 0.00 54.13 55.09 2wpx s LEU 248 Cb -0.32 -2.95 0.48 0.00 0.50 0.00 0.00 46.19 43.90 2wpx s LEU 248 CO 0.39 -1.85 1.66 0.00 -1.32 0.00 0.00 176.35 175.23 2wpx h ALA 249 N 11.84 1.00 -1.33 5.97 0.00 -0.97 -3.43 119.26 132.33 2wpx h ALA 249 Ca -0.27 0.00 0.27 0.00 0.00 0.00 0.00 54.91 54.91 2wpx h ALA 249 Cb 1.11 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.70 2wpx h ALA 249 CO 1.18 0.00 0.86 0.20 0.00 0.00 0.00 179.25 181.49 2wpx s GLY 250 N -4.14 -0.24 0.20 0.00 0.00 -1.12 -0.13 107.32 101.90 2wpx s GLY 250 Ca 0.07 1.79 -0.23 0.00 0.00 0.00 0.00 44.72 46.36 2wpx s GLY 250 CO 0.65 0.62 0.95 -2.52 0.00 0.00 0.00 173.10 172.80 2wpx s TYR 251 N -2.17 -0.03 0.15 1.90 1.13 -0.86 0.27 117.35 117.73 2wpx s TYR 251 Ca 0.10 -0.36 -0.24 0.00 -1.41 0.00 0.00 57.07 55.16 2wpx s TYR 251 Cb -0.01 0.69 0.07 0.00 -1.10 0.00 0.00 41.96 41.61 2wpx s TYR 251 CO -0.04 -0.98 0.69 -0.08 -2.51 0.00 0.00 175.55 172.63 2wpx s THR 252 N -2.83 0.00 -0.03 -3.49 -1.32 -0.81 -1.53 115.64 105.64 2wpx s THR 252 Ca 0.16 -0.21 -0.16 0.00 -1.21 0.00 0.00 61.69 60.26 2wpx s THR 252 Cb -0.03 -1.23 0.03 0.00 -1.51 0.00 0.00 72.50 69.76 2wpx s THR 252 CO 0.05 0.00 0.35 -0.94 -2.21 0.00 0.00 174.62 171.87 2wpx s SER 253 N -2.75 -0.25 0.02 8.08 1.04 -1.24 -2.82 113.70 115.79 2wpx s SER 253 Ca 0.04 0.21 0.06 0.00 0.48 0.00 0.00 55.95 56.74 2wpx s SER 253 Cb -0.02 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2wpx s SER 253 CO -0.08 -0.43 -0.15 -0.69 0.98 0.00 0.00 173.24 172.87 2wpx s VAL 254 N -1.16 3.04 -0.03 5.02 1.01 -0.32 0.61 120.40 128.57 2wpx s VAL 254 Ca -0.12 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 60.89 2wpx s VAL 254 Cb -0.04 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2wpx s VAL 254 CO 0.04 0.37 -0.23 -0.55 0.00 0.00 0.00 175.10 174.73 2wpx s SER 255 N -1.38 3.29 -0.04 3.32 0.15 0.22 0.29 113.70 119.54 2wpx s SER 255 Ca 0.15 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2wpx s SER 255 Cb -0.11 -0.48 0.03 0.00 -1.71 0.00 0.00 66.02 63.75 2wpx s SER 255 CO 0.06 0.32 -0.01 -0.75 1.20 0.00 0.00 173.24 174.06 2wpx s LYS 256 N -0.63 0.50 0.67 5.44 2.47 0.17 -1.10 119.74 127.26 2wpx s LYS 256 Ca 0.10 0.05 -0.11 0.00 -1.56 0.00 0.00 55.97 54.45 2wpx s LYS 256 Cb -0.10 -0.70 -0.01 0.00 -1.46 0.00 0.00 37.83 35.56 2wpx s LYS 256 CO -0.01 -0.17 1.05 0.95 0.16 0.00 0.00 175.35 177.34 2wpx s THR 257 N 1.27 4.24 0.13 3.43 -4.23 -1.26 -0.36 115.64 118.85 2wpx s THR 257 Ca -0.06 0.74 -0.20 0.00 -1.18 0.00 0.00 61.69 60.99 2wpx s THR 257 Cb -0.13 -3.55 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2wpx s THR 257 CO -0.02 -0.94 1.71 0.74 -0.54 0.00 0.00 174.62 175.57 2wpx h THR 258 N -0.56 0.84 -4.30 3.99 2.02 -1.76 -3.44 112.91 109.69 2wpx h THR 258 Ca -0.44 -0.01 -0.48 0.00 0.77 0.00 0.00 66.41 66.25 2wpx h THR 258 Cb 1.20 0.81 0.08 0.00 -1.74 0.00 0.00 68.15 68.50 2wpx h THR 258 CO 0.58 0.01 0.35 -0.83 0.37 0.00 0.00 175.52 176.00 2wpx s GLY 259 N -2.55 1.62 -0.48 2.16 0.00 -1.26 -4.69 107.32 102.12 2wpx s GLY 259 Ca -0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 2wpx s GLY 259 CO 0.68 -0.15 0.45 0.70 0.00 0.00 0.00 173.10 174.78 2wpx n ASN 260 N -3.01 -5.59 0.24 1.64 5.03 -1.26 -4.88 115.26 107.43 2wpx n ASN 260 Ca 0.07 -0.07 0.18 0.00 0.87 0.00 0.00 54.58 55.63 2wpx n ASN 260 Cb 0.59 -3.69 0.88 0.00 -1.02 0.00 0.00 39.78 36.54 2wpx n ASN 260 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 2wpx h PRO 261 N 0.23 0.00 -0.01 3.52 0.11 -1.90 -1.54 132.00 132.41 2wpx h PRO 261 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2wpx h PRO 261 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2wpx h PRO 261 CO 0.19 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 177.84 2wpx n ALA 262 N -2.22 2.84 -2.44 -0.75 0.00 -1.26 -2.94 120.51 113.74 2wpx n ALA 262 Ca 0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 2wpx n ALA 262 Cb 0.31 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.35 2.46 0.12 0.00 2.02 -0.58 -1.18 117.35 117.84 2wpx s TYR 263 Ca 0.30 -0.31 -0.14 0.00 -0.37 0.00 0.00 57.07 56.55 2wpx s TYR 263 Cb 0.20 -1.35 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 2wpx s TYR 263 CO 0.46 0.31 0.36 0.00 -1.57 0.00 0.00 175.55 175.11 2wpx s ALA 264 N -1.03 -0.75 -0.16 3.71 0.00 -0.33 -4.70 121.76 118.50 2wpx s ALA 264 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2wpx s ALA 264 Cb -0.10 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.69 2wpx s ALA 264 CO 0.07 -0.63 -0.16 -1.17 0.00 0.00 0.00 175.76 173.87 2wpx s LEU 265 N -2.83 2.41 -0.21 0.00 1.98 -0.26 -1.94 118.68 117.84 2wpx s LEU 265 Ca 0.04 -0.50 -0.19 0.00 -2.89 0.00 0.00 54.13 50.59 2wpx s LEU 265 Cb 0.02 -1.55 -0.03 0.00 0.66 0.00 0.00 46.19 45.30 2wpx s LEU 265 CO -0.11 0.07 0.53 -1.58 -1.89 0.00 0.00 176.35 173.37 2wpx s GLN 266 N 0.90 4.18 0.00 1.98 0.74 0.11 -0.61 119.66 126.96 2wpx s GLN 266 Ca -0.04 0.43 0.00 0.00 0.05 0.00 0.00 55.36 55.80 2wpx s GLN 266 Cb -0.15 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.38 2wpx s GLN 266 CO -0.02 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 2wpx n GLY 267 N 3.95 1.12 3.77 2.59 0.00 0.20 -4.43 105.19 112.39 2wpx n GLY 267 Ca -0.04 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.40 3.96 -0.23 1.61 0.23 -1.26 -4.55 119.30 118.65 2wpx s MET 268 Ca 0.00 2.31 -0.05 0.00 -1.03 0.00 0.00 55.69 56.91 2wpx s MET 268 Cb 0.00 -2.80 -0.02 0.00 -1.53 0.00 0.00 34.83 30.48 2wpx s MET 268 CO 0.00 -0.56 0.01 0.99 -2.03 0.00 0.00 175.02 173.43 2wpx s THR 269 N -1.21 3.80 -0.09 3.16 2.01 -1.26 -3.65 115.64 118.41 2wpx s THR 269 Ca 0.56 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.26 2wpx s THR 269 Cb -0.41 -2.75 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 2wpx s THR 269 CO 0.54 0.39 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.95 2wpx s VAL 270 N 1.53 2.33 -0.16 3.82 1.01 -0.58 -5.00 120.40 123.34 2wpx s VAL 270 Ca 0.06 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 2wpx s VAL 270 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2wpx s VAL 270 CO -0.00 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 174.86 2wpx s VAL 271 N 0.09 3.04 0.22 2.92 1.01 -1.26 -2.03 120.40 124.38 2wpx s VAL 271 Ca -0.10 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 60.93 2wpx s VAL 271 Cb -0.16 -2.31 -0.14 0.00 0.00 0.00 0.00 36.38 33.77 2wpx s VAL 271 CO 0.06 0.49 1.26 1.57 0.00 0.00 0.00 175.10 178.48 2wpx n HIS 272 N 4.05 1.71 -0.29 5.22 -0.00 0.82 -4.89 115.22 121.83 2wpx n HIS 272 Ca -0.18 0.57 0.12 0.00 0.46 0.00 0.00 57.72 58.68 2wpx n HIS 272 Cb 0.52 -2.36 0.36 0.00 -0.12 0.00 0.00 29.99 28.38 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 3.58 0.72 0.00 1.57 0.11 -1.89 0.21 114.38 118.68 2wpx h ARG 273 Ca -0.44 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2wpx h ARG 273 Cb 1.31 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2wpx h ARG 273 CO 0.71 0.47 0.00 0.39 0.10 0.00 0.00 179.97 181.65 2wpx n GLU 274 N -4.58 0.85 -1.05 0.08 1.02 -1.26 -3.77 120.64 111.93 2wpx n GLU 274 Ca 0.18 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.37 2wpx n GLU 274 Cb 0.47 -1.17 0.10 0.00 -0.02 0.00 0.00 31.44 30.82 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 -0.67 0.00 -1.68 -0.32 8.25 0.74 -5.05 115.22 116.49 2wpx n HIS 275 Ca 0.07 -0.92 -0.30 0.00 -0.26 0.00 0.00 57.72 56.31 2wpx n HIS 275 Cb 0.03 -0.19 0.09 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.46 2.11 0.00 -0.41 1.81 -1.22 -4.21 118.95 115.57 2wpx s ARG 276 Ca 0.35 0.46 0.00 0.00 -1.72 0.00 0.00 55.73 54.82 2wpx s ARG 276 Cb 0.37 -1.94 0.00 0.00 -0.45 0.00 0.00 34.95 32.93 2wpx s ARG 276 CO -0.12 -1.56 0.00 0.41 -0.68 0.00 0.00 175.30 173.35 2wpx n GLY 277 N -2.52 0.76 0.39 -3.53 0.00 -1.26 -4.88 105.19 94.14 2wpx n GLY 277 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.28 0.30 -2.66 1.61 8.25 -1.26 -4.99 115.22 114.18 2wpx n HIS 278 Ca 0.00 -0.55 -0.21 0.00 -0.26 0.00 0.00 57.72 56.70 2wpx n HIS 278 Cb 0.00 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.03 -0.77 -0.29 -1.41 0.00 -1.26 -4.88 120.51 111.87 2wpx n ALA 279 Ca 0.08 0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.77 2wpx n ALA 279 Cb 0.40 -2.90 0.23 0.00 0.00 0.00 0.00 19.45 17.18 2wpx n ALA 279 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wpx h LEU 280 N -0.58 0.92 -0.44 0.00 4.07 -1.94 -2.44 115.31 114.90 2wpx h LEU 280 Ca -0.51 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.35 2wpx h LEU 280 Cb 1.37 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.89 2wpx h LEU 280 CO 0.58 0.62 -0.09 1.23 -1.08 0.00 0.00 178.44 179.70 2wpx h GLY 281 N 1.06 0.90 0.95 0.83 0.00 -1.96 0.25 103.07 105.11 2wpx h GLY 281 Ca 0.36 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2wpx h GLY 281 CO -0.12 0.67 0.19 -0.84 0.00 0.00 0.00 176.54 176.43 2wpx h THR 282 N 0.66 1.18 -0.17 4.70 2.02 -1.93 -1.79 112.91 117.59 2wpx h THR 282 Ca 0.11 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2wpx h THR 282 Cb 0.62 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2wpx h THR 282 CO 0.04 0.19 0.05 0.25 0.37 0.00 0.00 175.52 176.42 2wpx h LEU 283 N 0.51 0.24 -0.28 2.58 5.85 -1.01 -2.38 115.31 120.82 2wpx h LEU 283 Ca 0.14 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2wpx h LEU 283 Cb 0.13 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 2wpx h LEU 283 CO -0.02 0.39 0.06 -0.07 -0.34 0.00 0.00 178.44 178.46 2wpx h LEU 284 N 0.09 0.02 -0.80 2.25 3.38 -0.53 0.05 115.31 119.76 2wpx h LEU 284 Ca 0.05 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2wpx h LEU 284 Cb 0.23 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2wpx h LEU 284 CO -0.00 0.04 0.16 0.11 0.09 0.00 0.00 178.44 178.84 2wpx h LYS 285 N 0.16 1.06 -0.11 1.13 1.57 -1.20 0.34 116.57 119.53 2wpx h LYS 285 Ca 0.13 -0.25 -0.18 0.00 -1.87 0.00 0.00 60.65 58.49 2wpx h LYS 285 Cb 0.13 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.31 2wpx h LYS 285 CO -0.17 0.94 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.95 2wpx h LEU 286 N 1.01 0.74 -0.44 2.94 3.38 -1.30 0.51 115.31 122.15 2wpx h LEU 286 Ca 0.21 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2wpx h LEU 286 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2wpx h LEU 286 CO 0.00 1.27 0.08 0.00 0.09 0.00 0.00 178.44 179.89 2wpx h ALA 287 N 0.49 0.58 -0.47 1.53 0.00 -0.88 -1.72 119.26 118.77 2wpx h ALA 287 Ca -0.05 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2wpx h ALA 287 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2wpx h ALA 287 CO 0.13 0.28 0.03 -0.97 0.00 0.00 0.00 179.25 178.73 2wpx h ASN 288 N 0.58 0.72 -0.59 0.00 -0.00 -0.89 -1.95 115.58 113.45 2wpx h ASN 288 Ca 0.13 -0.16 -0.05 0.00 -0.00 0.00 0.00 56.30 56.22 2wpx h ASN 288 Cb 0.36 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.46 2wpx h ASN 288 CO 0.01 0.77 0.16 0.25 -0.00 0.00 0.00 177.43 178.62 2wpx h LEU 289 N 0.72 0.89 -1.09 0.34 5.85 -0.75 -0.50 115.31 120.77 2wpx h LEU 289 Ca 0.15 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 2wpx h LEU 289 Cb 0.39 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2wpx h LEU 289 CO 0.01 0.88 0.10 -0.08 -0.34 0.00 0.00 178.44 179.02 2wpx h GLU 290 N 0.86 0.75 -0.31 1.25 4.81 -1.02 -0.78 114.58 120.13 2wpx h GLU 290 Ca 0.19 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2wpx h GLU 290 Cb 0.33 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2wpx h GLU 290 CO -0.00 0.69 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.01 2wpx h TYR 291 N 0.72 0.65 0.06 0.92 3.20 -0.95 -2.41 116.97 119.16 2wpx h TYR 291 Ca 0.16 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2wpx h TYR 291 Cb 0.29 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 2wpx h TYR 291 CO 0.02 0.74 -0.31 0.28 -1.64 0.00 0.00 178.16 177.25 2wpx h VAL 292 N 0.36 0.33 0.00 1.81 2.07 -0.56 -3.17 116.25 117.10 2wpx h VAL 292 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2wpx h VAL 292 Cb 0.51 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2wpx h VAL 292 CO 0.02 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.44 2wpx h LEU 293 N -0.49 0.00 0.00 2.57 4.07 -1.07 0.52 115.31 120.91 2wpx h LEU 293 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2wpx h LEU 293 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 2wpx h LEU 293 CO -0.22 0.11 -0.14 -2.11 -1.08 0.00 0.00 178.44 175.00 2wpx n ARG 294 N -3.87 0.07 -0.01 1.13 1.85 -0.91 -2.68 116.66 112.25 2wpx n ARG 294 Ca -0.02 0.05 0.07 0.00 -1.00 0.00 0.00 57.85 56.94 2wpx n ARG 294 Cb 0.21 -1.57 -0.10 0.00 -1.05 0.00 0.00 32.46 29.94 2wpx n ARG 294 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wpx n HIS 295 N -1.69 0.00 -3.25 2.89 8.25 0.10 -4.73 115.22 116.79 2wpx n HIS 295 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 2wpx n HIS 295 Cb 0.36 -0.29 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 2wpx n HIS 295 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2wpx n GLU 296 N -1.92 1.36 0.13 -0.41 4.07 0.16 -4.97 120.64 119.06 2wpx n GLU 296 Ca -0.02 -3.72 0.19 0.00 -0.06 0.00 0.00 57.16 53.56 2wpx n GLU 296 Cb 0.34 -1.59 0.76 0.00 -0.06 0.00 0.00 31.44 30.90 2wpx n GLU 296 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2wpx h PRO 297 N 3.92 0.00 -0.01 5.31 0.13 -1.74 -2.44 132.00 137.17 2wpx h PRO 297 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2wpx h PRO 297 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2wpx h PRO 297 CO 0.59 0.00 -0.29 0.39 -0.23 0.00 0.00 178.00 178.46 2wpx n GLU 298 N -3.66 0.59 -1.93 0.86 1.02 -1.26 -4.86 120.64 111.39 2wpx n GLU 298 Ca 0.06 -0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 56.45 2wpx n GLU 298 Cb 0.55 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 2wpx n GLU 298 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wpx s VAL 299 N -2.63 2.52 0.00 2.62 1.01 -0.92 -4.06 120.40 118.95 2wpx s VAL 299 Ca 0.21 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2wpx s VAL 299 Cb 0.19 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2wpx s VAL 299 CO 0.56 0.05 0.00 0.54 0.00 0.00 0.00 175.10 176.25 2wpx n ARG 300 N 2.94 0.00 -4.24 2.72 3.00 -0.97 -4.95 116.66 115.15 2wpx n ARG 300 Ca 0.10 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.62 2wpx n ARG 300 Cb 0.39 -0.40 -0.16 0.00 0.00 0.00 0.00 32.46 32.28 2wpx n ARG 300 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2wpx s LEU 301 N -1.60 2.02 -0.09 0.55 1.43 -0.32 -0.29 118.68 120.38 2wpx s LEU 301 Ca 0.00 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2wpx s LEU 301 Cb 0.00 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.83 2wpx s LEU 301 CO 0.00 0.01 -0.16 -0.69 0.23 0.00 0.00 176.35 175.74 2wpx s VAL 302 N 1.20 1.49 0.20 -1.59 1.01 0.04 -1.19 120.40 121.56 2wpx s VAL 302 Ca 0.02 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2wpx s VAL 302 Cb -0.14 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2wpx s VAL 302 CO -0.09 0.44 -0.02 -1.83 0.00 0.00 0.00 175.10 173.59 2wpx s GLU 303 N 0.69 2.31 0.30 2.72 -1.05 -0.82 -0.79 118.70 122.06 2wpx s GLU 303 Ca -0.13 -1.22 -0.14 0.00 -0.15 0.00 0.00 54.97 53.33 2wpx s GLU 303 Cb -0.16 -2.27 0.02 0.00 -0.44 0.00 0.00 34.13 31.28 2wpx s GLU 303 CO 0.03 0.43 0.61 -0.08 0.95 0.00 0.00 175.26 177.21 2wpx s THR 304 N -1.87 0.00 -0.16 1.83 -1.32 -0.89 0.09 115.64 113.32 2wpx s THR 304 Ca 0.28 -1.24 -0.11 0.00 -1.21 0.00 0.00 61.69 59.41 2wpx s THR 304 Cb -0.08 -2.39 0.05 0.00 -1.51 0.00 0.00 72.50 68.57 2wpx s THR 304 CO 0.18 0.00 0.40 0.00 -2.21 0.00 0.00 174.62 173.00 2wpx s ALA 305 N -3.42 -1.02 0.09 11.08 0.00 -1.26 -0.15 121.76 127.07 2wpx s ALA 305 Ca 0.19 1.37 0.10 0.00 0.00 0.00 0.00 51.96 53.62 2wpx s ALA 305 Cb -0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2wpx s ALA 305 CO 0.11 -0.24 -0.26 -0.80 0.00 0.00 0.00 175.76 174.57 2wpx s ASN 306 N 0.95 3.16 0.25 0.00 -0.87 -0.79 -4.92 114.94 112.71 2wpx s ASN 306 Ca -0.06 -0.66 -0.31 0.00 -1.57 0.00 0.00 52.86 50.26 2wpx s ASN 306 Cb -0.06 -0.24 -0.13 0.00 -0.02 0.00 0.00 41.25 40.80 2wpx s ASN 306 CO -0.08 0.21 1.55 0.00 -2.57 0.00 0.00 177.10 176.21 2wpx n ALA 307 N 1.36 1.95 0.20 0.60 0.00 -1.26 0.12 120.51 123.48 2wpx n ALA 307 Ca -0.18 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.74 2wpx n ALA 307 Cb 0.53 -2.39 0.36 0.00 0.00 0.00 0.00 19.45 17.94 2wpx n ALA 307 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wpx n GLU 308 N 2.50 0.09 0.00 0.00 0.28 0.25 -0.49 120.64 123.27 2wpx n GLU 308 Ca 0.12 0.51 0.13 0.00 -0.16 0.00 0.00 57.16 57.76 2wpx n GLU 308 Cb 0.34 -1.75 0.31 0.00 1.43 0.00 0.00 31.44 31.76 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 -1.94 1.86 -3.50 -1.84 3.85 -1.26 -4.58 116.55 109.14 2wpx n ASP 309 Ca 0.00 -1.50 -0.40 0.00 -0.71 0.00 0.00 54.79 52.18 2wpx n ASP 309 Cb 0.07 0.10 -0.01 0.00 -1.35 0.00 0.00 41.12 39.93 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 0.27 6.95 -0.20 -1.12 2.85 0.36 -4.81 115.26 119.55 2wpx n ASN 310 Ca 0.15 -2.77 0.01 0.00 -0.11 0.00 0.00 54.58 51.86 2wpx n ASN 310 Cb 0.43 -1.56 0.12 0.00 1.24 0.00 0.00 39.78 40.01 2wpx n ASN 310 CO 0.00 0.00 0.00 0.45 -2.11 0.00 0.00 177.26 175.60 2wpx h HIS 311 N 5.30 0.19 -0.29 1.20 3.86 -1.84 -1.88 115.15 121.69 2wpx h HIS 311 Ca 0.73 0.04 0.06 0.00 -1.16 0.00 0.00 60.37 60.03 2wpx h HIS 311 Cb 0.42 0.01 -0.08 0.00 1.06 0.00 0.00 27.41 28.82 2wpx h HIS 311 CO 1.67 -0.05 -0.41 -1.35 0.86 0.00 0.00 177.93 178.65 2wpx h PRO 312 N 0.25 -0.37 -0.19 2.45 0.11 -1.99 0.59 132.00 132.84 2wpx h PRO 312 Ca 0.33 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.33 2wpx h PRO 312 Cb 0.50 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2wpx h PRO 312 CO -0.42 -0.25 -0.44 0.52 -0.21 0.00 0.00 178.00 177.20 2wpx h MET 313 N -0.38 0.48 -0.54 1.05 2.86 -1.92 -0.44 114.93 116.03 2wpx h MET 313 Ca 0.12 -0.25 0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2wpx h MET 313 Cb 0.59 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 2wpx h MET 313 CO -0.50 0.83 0.30 0.82 1.06 0.00 0.00 176.91 179.42 2wpx h ILE 314 N 0.39 1.00 -0.95 -1.22 2.04 -0.76 0.21 117.51 118.22 2wpx h ILE 314 Ca 0.03 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.70 2wpx h ILE 314 Cb 0.93 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2wpx h ILE 314 CO 0.08 0.11 0.63 0.00 0.00 0.00 0.00 178.15 178.97 2wpx h ALA 315 N 1.27 1.22 -0.59 1.87 0.00 0.63 -0.64 119.26 123.01 2wpx h ALA 315 Ca 0.23 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wpx h ALA 315 Cb 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2wpx h ALA 315 CO -0.14 0.58 0.13 0.28 0.00 0.00 0.00 179.25 180.11 2wpx h VAL 316 N 1.27 1.25 -0.31 0.00 2.07 -0.50 -2.56 116.25 117.47 2wpx h VAL 316 Ca 0.35 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2wpx h VAL 316 Cb -0.12 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2wpx h VAL 316 CO -0.08 0.34 -0.09 0.78 0.02 0.00 0.00 177.57 178.54 2wpx h ASN 317 N 0.87 0.62 -0.08 0.57 2.35 -0.07 -2.95 115.58 116.89 2wpx h ASN 317 Ca 0.18 -0.37 0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2wpx h ASN 317 Cb 0.37 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2wpx h ASN 317 CO 0.00 0.85 -0.02 0.00 -1.65 0.00 0.00 177.43 176.61 2wpx h ALA 318 N 0.79 0.05 -0.74 -0.83 0.00 -1.17 -0.16 119.26 117.20 2wpx h ALA 318 Ca 0.08 0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.23 2wpx h ALA 318 Cb 0.58 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2wpx h ALA 318 CO 0.03 -0.49 0.61 0.00 0.00 0.00 0.00 179.25 179.40 2wpx h ALA 319 N 1.07 2.61 -0.03 0.00 0.00 -1.41 0.82 119.26 122.31 2wpx h ALA 319 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wpx h ALA 319 Cb 0.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wpx h ALA 319 CO -0.09 -0.99 0.00 1.28 0.00 0.00 0.00 179.25 179.46 2wpx n LEU 320 N -4.02 1.75 0.00 0.00 4.32 -0.14 -4.91 117.00 114.01 2wpx n LEU 320 Ca 0.15 -0.59 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 2wpx n LEU 320 Cb 0.88 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.67 2wpx n LEU 320 CO 0.34 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.42 2wpx n GLY 321 N 1.20 0.40 3.75 -0.72 0.00 0.28 -4.41 105.19 105.68 2wpx n GLY 321 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 2.99 -0.11 1.61 0.40 -0.81 -4.59 117.98 115.48 2wpx s PHE 322 Ca 0.00 1.00 0.03 0.00 -0.60 0.00 0.00 56.93 57.36 2wpx s PHE 322 Cb 0.00 -3.84 0.01 0.00 0.51 0.00 0.00 43.02 39.69 2wpx s PHE 322 CO 0.00 -2.76 -0.21 -1.21 0.70 0.00 0.00 175.22 171.74 2wpx s GLU 323 N -0.39 2.77 0.13 0.44 2.02 0.83 -4.27 118.70 120.22 2wpx s GLU 323 Ca 0.60 -0.78 -0.31 0.00 0.02 0.00 0.00 54.97 54.50 2wpx s GLU 323 Cb -0.42 -2.17 -0.10 0.00 0.10 0.00 0.00 34.13 31.54 2wpx s GLU 323 CO 0.44 0.08 1.68 -2.14 0.02 0.00 0.00 175.26 175.35 2wpx s PRO 324 N 0.58 4.18 -0.09 0.39 0.02 -1.26 -0.40 135.00 138.41 2wpx s PRO 324 Ca -0.14 2.45 -0.06 0.00 0.02 0.00 0.00 61.00 63.28 2wpx s PRO 324 Cb -0.17 -3.39 -0.04 0.00 0.02 0.00 0.00 34.50 30.92 2wpx s PRO 324 CO 0.04 -0.73 -0.14 0.98 -0.33 0.00 0.00 177.00 176.83 2wpx n TYR 325 N 4.90 0.00 -4.18 6.54 9.36 -0.29 -4.79 117.16 128.70 2wpx n TYR 325 Ca 0.16 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.22 2wpx n TYR 325 Cb 0.38 -0.35 -0.07 0.00 -0.63 0.00 0.00 39.34 38.67 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 -5.96 0.96 -0.04 2.98 3.84 -1.18 -4.14 116.67 113.13 2wpx s ASP 326 Ca -0.14 -1.52 0.06 0.00 -0.00 0.00 0.00 52.55 50.95 2wpx s ASP 326 Cb 0.05 0.56 -0.02 0.00 -1.38 0.00 0.00 42.92 42.13 2wpx s ASP 326 CO 0.18 -1.10 -0.24 -0.60 -0.00 0.00 0.00 175.17 173.41 2wpx s ARG 327 N -3.51 2.40 -0.51 2.11 3.52 -0.03 -1.38 118.95 121.55 2wpx s ARG 327 Ca 0.35 -0.88 -0.08 0.00 -0.13 0.00 0.00 55.73 54.99 2wpx s ARG 327 Cb 0.02 -2.15 0.13 0.00 -1.56 0.00 0.00 34.95 31.39 2wpx s ARG 327 CO 0.20 0.48 0.37 -1.58 -0.81 0.00 0.00 175.30 173.96 2wpx s TRP 328 N -0.39 3.47 -0.18 5.12 0.52 0.10 -0.87 118.94 126.72 2wpx s TRP 328 Ca 0.03 -2.08 -0.08 0.00 0.02 0.00 0.00 56.10 53.99 2wpx s TRP 328 Cb -0.12 -3.45 -0.04 0.00 -1.15 0.00 0.00 33.47 28.71 2wpx s TRP 328 CO 0.02 -0.97 0.11 0.08 0.02 0.00 0.00 176.95 176.20 2wpx s VAL 329 N 1.04 5.19 -0.18 4.03 1.01 0.15 -1.06 120.40 130.58 2wpx s VAL 329 Ca 0.09 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2wpx s VAL 329 Cb -0.24 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2wpx s VAL 329 CO -0.02 0.48 0.58 -0.36 0.00 0.00 0.00 175.10 175.78 2wpx s PHE 330 N 0.10 3.40 0.28 5.22 0.08 -1.26 -0.33 117.98 125.48 2wpx s PHE 330 Ca 0.08 0.89 0.10 0.00 0.12 0.00 0.00 56.93 58.12 2wpx s PHE 330 Cb -0.12 -2.73 -0.05 0.00 -0.57 0.00 0.00 43.02 39.55 2wpx s PHE 330 CO -0.00 -0.10 -0.16 -1.58 -0.10 0.00 0.00 175.22 173.28 2wpx s TRP 331 N 1.61 2.22 0.03 0.36 0.52 0.64 -0.30 118.94 124.01 2wpx s TRP 331 Ca 0.27 -0.43 -0.13 0.00 0.02 0.00 0.00 56.10 55.84 2wpx s TRP 331 Cb -0.16 -1.06 0.02 0.00 -1.15 0.00 0.00 33.47 31.12 2wpx s TRP 331 CO 0.11 0.61 0.28 -0.08 0.02 0.00 0.00 176.95 177.89 2wpx s THR 332 N -2.63 0.08 -0.04 2.01 -1.32 -0.05 -1.19 115.64 112.50 2wpx s THR 332 Ca 0.30 -0.68 -0.20 0.00 -1.21 0.00 0.00 61.69 59.90 2wpx s THR 332 Cb -0.02 -0.85 0.04 0.00 -1.51 0.00 0.00 72.50 70.15 2wpx s THR 332 CO 0.14 -0.37 0.43 0.00 -2.21 0.00 0.00 174.62 172.61 2wpx s ALA 333 N -2.27 -1.11 0.22 11.08 0.00 0.01 -0.82 121.76 128.87 2wpx s ALA 333 Ca -0.07 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.29 2wpx s ALA 333 Cb -0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 2wpx s ALA 333 CO -0.02 -0.29 1.33 -1.21 0.00 0.00 0.00 175.76 175.57 2wpx s GLU 334 N -1.15 4.37 0.03 0.00 2.02 -1.26 -1.04 118.70 121.66 2wpx s GLU 334 Ca -0.12 2.11 -0.17 0.00 0.02 0.00 0.00 54.97 56.81 2wpx s GLU 334 Cb -0.04 -3.17 -0.25 0.00 0.10 0.00 0.00 34.13 30.78 2wpx s GLU 334 CO 0.06 -0.27 1.11 0.00 0.02 0.00 0.00 175.26 176.18 2wpx h ALA 335 N 5.08 0.06 -0.83 5.21 0.00 -1.62 -3.45 119.26 123.71 2wpx h ALA 335 Ca -0.45 -0.65 -0.49 0.00 0.00 0.00 0.00 54.91 53.32 2wpx h ALA 335 Cb 1.22 0.06 0.04 0.00 0.00 0.00 0.00 17.79 19.11 2wpx h ALA 335 CO 0.76 0.50 -0.03 0.20 0.00 0.00 0.00 179.25 180.69 2wpx s GLY 336 N -4.23 1.71 0.06 0.00 0.00 -1.26 -4.66 107.32 98.94 2wpx s GLY 336 Ca -0.12 -2.12 -0.32 0.00 0.00 0.00 0.00 44.72 42.16 2wpx s GLY 336 CO 0.87 -1.59 1.54 -2.55 0.00 0.00 0.00 173.10 171.37 2wpx h PRO 337 N -0.07 -0.90 0.00 2.90 0.11 -2.00 -3.53 132.00 128.51 2wpx h PRO 337 Ca -0.30 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2wpx h PRO 337 Cb 1.28 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.60 2wpx h PRO 337 CO 0.39 -0.58 0.00 0.45 -0.21 0.00 0.00 178.00 178.05