#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qei s ARG 5 N 0.00 4.60 0.88 -1.58 3.52 -1.26 -5.02 118.95 120.09 2qei s ARG 5 Ca 0.00 1.79 -0.11 0.00 -0.13 0.00 0.00 55.73 57.28 2qei s ARG 5 Cb 0.00 -3.22 0.12 0.00 -1.56 0.00 0.00 34.95 30.28 2qei s ARG 5 CO 0.00 0.12 1.09 -1.21 -0.81 0.00 0.00 175.30 174.50 2qei s GLU 6 N -0.93 1.40 0.02 5.12 2.02 -1.26 -5.07 118.70 119.99 2qei s GLU 6 Ca 0.47 0.94 -0.06 0.00 0.02 0.00 0.00 54.97 56.35 2qei s GLU 6 Cb -0.31 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 2qei s GLU 6 CO 0.39 -2.18 0.11 -1.01 0.02 0.00 0.00 175.26 172.58 2qei s HIS 7 N -2.89 0.12 0.39 1.61 3.76 -1.26 -4.70 115.29 112.31 2qei s HIS 7 Ca 0.63 -0.30 -0.27 0.00 -0.15 0.00 0.00 55.06 54.97 2qei s HIS 7 Cb -0.18 -0.09 -0.10 0.00 1.11 0.00 0.00 32.58 33.31 2qei s HIS 7 CO 0.57 -0.30 1.40 -1.58 -0.85 0.00 0.00 174.74 173.97 2qei s TRP 8 N -1.82 2.71 -0.01 1.40 0.52 -0.88 -4.49 118.94 116.38 2qei s TRP 8 Ca -0.12 1.29 -0.22 0.00 0.02 0.00 0.00 56.10 57.07 2qei s TRP 8 Cb -0.06 -3.86 -0.20 0.00 -1.15 0.00 0.00 33.47 28.21 2qei s TRP 8 CO -0.01 -2.55 1.18 0.00 0.02 0.00 0.00 176.95 175.59 2qei h ALA 9 N 2.90 0.11 -2.21 0.98 0.00 -1.94 -3.48 119.26 115.62 2qei h ALA 9 Ca -0.50 -0.41 -0.36 0.00 0.00 0.00 0.00 54.91 53.64 2qei h ALA 9 Cb 1.24 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 2qei h ALA 9 CO 0.64 0.10 -0.70 0.95 0.00 0.00 0.00 179.25 180.24 2qei s THR 10 N -3.67 1.19 0.10 0.00 -4.23 -1.26 -5.05 115.64 102.73 2qei s THR 10 Ca -0.15 -2.07 -0.18 0.00 -1.18 0.00 0.00 61.69 58.12 2qei s THR 10 Cb 0.03 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 2qei s THR 10 CO 0.75 -0.58 1.60 -0.09 -0.54 0.00 0.00 174.62 175.76 2qei h ARG 11 N 2.65 0.48 -0.28 3.99 9.65 -1.99 -1.53 114.38 127.34 2qei h ARG 11 Ca -0.37 -0.12 0.04 0.00 -1.10 0.00 0.00 59.98 58.43 2qei h ARG 11 Cb 1.20 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.68 2qei h ARG 11 CO 0.64 0.56 0.04 1.25 2.80 0.00 0.00 179.97 185.26 2qei h LEU 12 N 0.32 -0.02 -0.53 3.80 5.85 -1.99 -0.96 115.31 121.78 2qei h LEU 12 Ca 0.09 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2qei h LEU 12 Cb 0.29 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2qei h LEU 12 CO 0.00 0.03 0.30 1.23 -0.34 0.00 0.00 178.44 179.65 2qei h GLY 13 N 0.14 0.75 0.77 3.75 0.00 -1.88 -0.34 103.07 106.27 2qei h GLY 13 Ca 0.13 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2qei h GLY 13 CO -0.18 0.16 -0.06 -2.00 0.00 0.00 0.00 176.54 174.46 2qei h LEU 14 N 0.58 -0.17 -0.53 3.11 5.85 -0.81 0.62 115.31 123.95 2qei h LEU 14 Ca 0.23 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.99 2qei h LEU 14 Cb 0.09 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2qei h LEU 14 CO -0.13 -0.08 0.35 0.40 -0.34 0.00 0.00 178.44 178.65 2qei h ILE 15 N -0.07 1.13 -0.07 4.05 1.08 -0.81 0.30 117.51 123.13 2qei h ILE 15 Ca 0.05 -0.25 -0.14 0.00 -0.39 0.00 0.00 64.86 64.13 2qei h ILE 15 Cb 0.13 0.35 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 2qei h ILE 15 CO -0.11 0.13 -0.57 -0.07 -0.69 0.00 0.00 178.15 176.85 2qei h LEU 16 N 0.72 0.24 -0.24 1.44 3.38 -0.87 0.11 115.31 120.09 2qei h LEU 16 Ca 0.20 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2qei h LEU 16 Cb -0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2qei h LEU 16 CO -0.04 0.76 -0.11 0.00 0.09 0.00 0.00 178.44 179.14 2qei h ALA 17 N 1.25 0.33 -0.52 1.53 0.00 -0.55 0.13 119.26 121.43 2qei h ALA 17 Ca -0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2qei h ALA 17 Cb 1.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2qei h ALA 17 CO 0.09 0.18 0.00 0.52 0.00 0.00 0.00 179.25 180.04 2qei h MET 18 N 0.21 0.88 -0.54 0.00 2.86 -0.85 -0.12 114.93 117.37 2qei h MET 18 Ca 0.05 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.37 2qei h MET 18 Cb 0.60 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2qei h MET 18 CO 0.03 0.88 0.04 0.00 1.06 0.00 0.00 176.91 178.92 2qei h ALA 19 N 1.18 1.05 -0.00 6.32 0.00 -0.61 -2.17 119.26 125.02 2qei h ALA 19 Ca 0.15 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2qei h ALA 19 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2qei h ALA 19 CO 0.02 0.60 -0.57 0.78 0.00 0.00 0.00 179.25 180.09 2qei h GLY 20 N 1.00 0.00 0.98 0.00 0.00 -0.27 0.20 103.07 104.99 2qei h GLY 20 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 2qei h GLY 20 CO 0.02 0.00 -0.06 -0.57 0.00 0.00 0.00 176.54 175.93 2qei h ASN 21 N 0.00 -0.15 0.10 0.19 -0.73 -0.53 -3.11 115.58 111.35 2qei h ASN 21 Ca -0.01 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 2qei h ASN 21 Cb 1.00 0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.63 2qei h ASN 21 CO 0.07 -0.09 -0.05 0.00 -0.37 0.00 0.00 177.43 177.00 2qei h ALA 22 N 0.66 -0.13 -1.71 1.57 0.00 -1.22 -3.41 119.26 115.02 2qei h ALA 22 Ca -0.02 -0.27 -0.54 0.00 0.00 0.00 0.00 54.91 54.08 2qei h ALA 22 Cb 0.16 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2qei h ALA 22 CO 0.03 -0.23 1.29 0.08 0.00 0.00 0.00 179.25 180.42 2qei s VAL 23 N -3.28 3.47 0.00 0.00 1.01 0.70 -4.68 120.40 117.62 2qei s VAL 23 Ca -0.14 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2qei s VAL 23 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2qei s VAL 23 CO 0.52 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2qei n GLY 24 N 5.50 4.23 0.34 4.51 0.00 -1.26 -4.65 105.19 113.85 2qei n GLY 24 Ca 0.21 -0.81 0.16 0.00 0.00 0.00 0.00 46.02 45.58 2qei n GLY 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qei h LEU 25 N 0.00 0.00 -1.69 0.99 3.38 -1.86 -0.81 115.31 115.32 2qei h LEU 25 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qei h LEU 25 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qei h LEU 25 CO 0.00 0.00 0.12 1.23 0.09 0.00 0.00 178.44 179.88 2qei h GLY 26 N 0.00 0.35 0.79 0.83 0.00 -1.93 0.17 103.07 103.28 2qei h GLY 26 Ca 0.15 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 2qei h GLY 26 CO -0.00 0.14 -0.54 3.43 0.00 0.00 0.00 176.54 179.56 2qei h ASN 27 N 0.33 0.54 0.61 0.19 4.21 -1.47 0.97 115.58 120.96 2qei h ASN 27 Ca 0.09 -0.72 -0.04 0.00 1.21 0.00 0.00 56.30 56.84 2qei h ASN 27 Cb 0.03 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 2qei h ASN 27 CO -0.01 1.18 -1.42 0.49 -1.29 0.00 0.00 177.43 176.37 2qei n PHE 28 N -4.25 0.63 -0.03 1.19 3.72 -1.13 -4.29 117.46 113.30 2qei n PHE 28 Ca -0.09 0.19 -0.08 0.00 -0.05 0.00 0.00 57.45 57.42 2qei n PHE 28 Cb 0.63 -0.84 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 2qei n PHE 28 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2qei n LEU 29 N -2.58 0.78 -0.02 4.37 4.77 0.56 -4.71 117.00 120.17 2qei n LEU 29 Ca -0.04 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 2qei n LEU 29 Cb 0.62 -0.30 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 2qei n LEU 29 CO 0.42 -0.01 0.65 -0.09 -1.33 0.00 0.00 177.39 177.03 2qei h ARG 30 N -0.30 0.09 -0.22 3.23 2.43 -1.44 -3.23 114.38 114.94 2qei h ARG 30 Ca -0.16 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.02 2qei h ARG 30 Cb 0.97 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.47 2qei h ARG 30 CO -0.10 0.51 -0.11 0.35 -1.51 0.00 0.00 179.97 179.11 2qei h PHE 31 N -0.33 -0.27 -0.72 2.20 3.57 -0.99 -1.41 116.94 119.00 2qei h PHE 31 Ca 0.01 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2qei h PHE 31 Cb 0.49 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 2qei h PHE 31 CO 0.08 -0.17 0.40 -1.35 -2.23 0.00 0.00 178.31 175.04 2qei h PRO 32 N -0.09 0.69 0.04 6.41 0.11 -1.79 -0.07 132.00 137.31 2qei h PRO 32 Ca 0.12 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 2qei h PRO 32 Cb 0.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2qei h PRO 32 CO -0.28 0.46 -0.02 0.28 -0.21 0.00 0.00 178.00 178.23 2qei h VAL 33 N 0.72 1.07 -0.40 3.15 2.07 -1.50 0.12 116.25 121.48 2qei h VAL 33 Ca 0.33 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2qei h VAL 33 Cb 0.24 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2qei h VAL 33 CO -0.21 0.09 0.15 1.56 0.02 0.00 0.00 177.57 179.19 2qei h GLN 34 N -0.21 0.31 -0.25 1.57 1.08 -0.94 -0.62 115.11 116.04 2qei h GLN 34 Ca -0.01 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2qei h GLN 34 Cb 0.19 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 2qei h GLN 34 CO 0.01 0.20 -0.01 0.00 -0.95 0.00 0.00 178.83 178.08 2qei h ALA 35 N 1.25 0.34 -0.40 3.87 0.00 -0.94 -2.48 119.26 120.90 2qei h ALA 35 Ca 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qei h ALA 35 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2qei h ALA 35 CO -0.17 0.09 0.23 0.00 0.00 0.00 0.00 179.25 179.40 2qei h ALA 36 N 0.80 0.51 0.00 0.00 0.00 -0.52 0.30 119.26 120.35 2qei h ALA 36 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qei h ALA 36 Cb 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qei h ALA 36 CO 0.02 0.02 0.00 -0.85 0.00 0.00 0.00 179.25 178.43 2qei n GLU 37 N -4.76 0.02 -0.57 0.00 0.28 -0.26 -3.36 120.64 111.99 2qei n GLU 37 Ca 0.00 0.07 0.05 0.00 -0.16 0.00 0.00 57.16 57.12 2qei n GLU 37 Cb 0.06 -1.50 0.26 0.00 1.43 0.00 0.00 31.44 31.69 2qei n GLU 37 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2qei n ASN 38 N -1.49 3.81 0.00 -1.84 3.02 -0.94 -4.95 115.26 112.88 2qei n ASN 38 Ca 0.06 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 2qei n ASN 38 Cb 0.29 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 2qei n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qei n GLY 39 N -0.54 0.77 7.00 7.41 0.00 -1.16 -3.63 105.19 115.04 2qei n GLY 39 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2qei n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qei n GLY 40 N -2.41 0.77 0.30 -0.02 0.00 0.10 -2.24 105.19 101.69 2qei n GLY 40 Ca 0.00 0.55 0.11 0.00 0.00 0.00 0.00 46.02 46.67 2qei n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qei h GLY 41 N 0.00 0.14 2.00 -0.02 0.00 -0.96 -0.29 103.07 103.95 2qei h GLY 41 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2qei h GLY 41 CO 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 176.54 176.55 2qei h ALA 42 N 1.87 1.06 0.12 3.60 0.00 -1.59 -2.42 119.26 121.90 2qei h ALA 42 Ca 0.11 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 2qei h ALA 42 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2qei h ALA 42 CO -0.01 0.03 -1.49 0.35 0.00 0.00 0.00 179.25 178.13 2qei h PHE 43 N 0.00 0.46 -0.56 0.00 3.57 -1.11 -3.39 116.94 115.91 2qei h PHE 43 Ca -0.00 -0.33 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 2qei h PHE 43 Cb 0.29 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2qei h PHE 43 CO 0.00 1.37 0.34 0.52 -2.23 0.00 0.00 178.31 178.31 2qei h MET 44 N 0.07 0.75 0.50 1.11 2.86 -1.30 -2.05 114.93 116.86 2qei h MET 44 Ca -0.23 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2qei h MET 44 Cb 2.01 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.51 2qei h MET 44 CO 0.17 0.52 -0.24 0.82 1.06 0.00 0.00 176.91 179.24 2qei h ILE 45 N 0.77 0.47 -0.73 -1.22 1.08 -1.75 0.13 117.51 116.27 2qei h ILE 45 Ca 0.20 -0.25 0.02 0.00 -0.39 0.00 0.00 64.86 64.44 2qei h ILE 45 Cb -0.04 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.25 2qei h ILE 45 CO -0.04 0.04 0.48 -0.65 -0.69 0.00 0.00 178.15 177.29 2qei h PRO 46 N -0.83 0.91 -0.12 2.37 0.11 -1.78 -1.60 132.00 131.07 2qei h PRO 46 Ca -0.07 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.99 2qei h PRO 46 Cb 0.58 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 2qei h PRO 46 CO 0.11 0.60 0.05 -0.92 -0.21 0.00 0.00 178.00 177.64 2qei h TYR 47 N 0.94 0.10 -0.45 0.65 3.20 -1.17 0.23 116.97 120.47 2qei h TYR 47 Ca 0.28 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2qei h TYR 47 Cb -0.04 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2qei h TYR 47 CO -0.00 0.06 0.18 0.82 -1.64 0.00 0.00 178.16 177.58 2qei h ILE 48 N 0.12 1.20 -0.74 1.81 2.04 -0.53 -1.03 117.51 120.38 2qei h ILE 48 Ca 0.05 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 2qei h ILE 48 Cb 0.01 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2qei h ILE 48 CO -0.04 0.23 0.35 0.40 0.00 0.00 0.00 178.15 179.09 2qei h ILE 49 N 0.58 1.24 -0.73 -0.67 2.04 -1.06 -2.01 117.51 116.90 2qei h ILE 49 Ca 0.15 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 2qei h ILE 49 Cb 0.19 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2qei h ILE 49 CO -0.01 0.29 0.27 0.00 0.00 0.00 0.00 178.15 178.70 2qei h ALA 50 N 1.17 1.09 -0.60 1.87 0.00 -0.29 0.83 119.26 123.32 2qei h ALA 50 Ca 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qei h ALA 50 Cb 0.14 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qei h ALA 50 CO -0.03 0.63 0.26 0.35 0.00 0.00 0.00 179.25 180.47 2qei h PHE 51 N 1.07 0.86 0.20 0.00 3.57 -0.64 0.30 116.94 122.31 2qei h PHE 51 Ca 0.24 -0.04 -0.32 0.00 3.53 0.00 0.00 57.97 61.39 2qei h PHE 51 Cb 0.24 -0.27 0.03 0.00 2.79 0.00 0.00 35.95 38.74 2qei h PHE 51 CO 0.02 0.65 -1.39 -0.07 -2.23 0.00 0.00 178.31 175.30 2qei h LEU 52 N 0.86 0.76 0.00 0.59 3.38 -0.79 0.30 115.31 120.41 2qei h LEU 52 Ca 0.21 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2qei h LEU 52 Cb 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qei h LEU 52 CO -0.02 1.61 -0.82 0.18 0.09 0.00 0.00 178.44 179.48 2qei n LEU 53 N -3.69 0.66 0.05 1.67 4.77 0.23 -4.52 117.00 116.17 2qei n LEU 53 Ca -0.14 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 2qei n LEU 53 Cb 1.07 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 2qei n LEU 53 CO 0.59 0.11 -0.11 0.52 -1.33 0.00 0.00 177.39 177.18 2qei n VAL 54 N -1.70 0.28 0.04 4.08 0.31 0.95 -4.39 118.33 117.89 2qei n VAL 54 Ca 0.04 0.09 -0.07 0.00 -0.01 0.00 0.00 64.34 64.39 2qei n VAL 54 Cb 0.38 -0.96 -0.04 0.00 -0.91 0.00 0.00 33.84 32.31 2qei n VAL 54 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2qei h GLY 55 N 0.00 -1.21 0.65 2.92 0.00 -0.97 -1.36 103.07 103.10 2qei h GLY 55 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 47.33 47.92 2qei h GLY 55 CO 0.00 -0.39 -0.23 -2.22 0.00 0.00 0.00 176.54 173.70 2qei h ILE 56 N -0.31 0.49 -0.61 2.60 2.04 -1.19 -1.30 117.51 119.23 2qei h ILE 56 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2qei h ILE 56 Cb 0.32 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2qei h ILE 56 CO -0.13 0.00 0.39 1.55 0.00 0.00 0.00 178.15 179.96 2qei h PRO 57 N -0.45 0.76 -0.12 2.37 0.13 -1.79 -2.19 132.00 130.71 2qei h PRO 57 Ca 0.02 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.03 2qei h PRO 57 Cb 0.45 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 2qei h PRO 57 CO -0.10 0.50 -0.27 -0.07 -0.23 0.00 0.00 178.00 177.83 2qei h LEU 58 N 0.78 0.21 0.20 1.56 3.38 -1.17 -1.63 115.31 118.64 2qei h LEU 58 Ca 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2qei h LEU 58 Cb -0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2qei h LEU 58 CO -0.07 0.48 -0.11 -0.03 0.09 0.00 0.00 178.44 178.80 2qei h MET 59 N 0.19 -0.28 -0.57 1.13 4.05 -0.64 0.77 114.93 119.58 2qei h MET 59 Ca 0.03 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2qei h MET 59 Cb 0.58 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 2qei h MET 59 CO 0.04 -0.19 0.36 -1.49 0.23 0.00 0.00 176.91 175.87 2qei h TRP 60 N -0.29 0.69 -0.61 1.39 6.55 -1.23 -0.95 115.95 121.49 2qei h TRP 60 Ca -0.02 0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.87 2qei h TRP 60 Cb 0.24 -0.23 -0.04 0.00 -0.86 0.00 0.00 29.16 28.27 2qei h TRP 60 CO -0.08 0.42 0.35 0.82 -1.05 0.00 0.00 178.44 178.90 2qei h ILE 61 N 0.73 1.03 -0.46 1.49 2.04 -0.99 0.22 117.51 121.58 2qei h ILE 61 Ca 0.22 -0.23 -0.13 0.00 1.00 0.00 0.00 64.86 65.71 2qei h ILE 61 Cb -0.04 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2qei h ILE 61 CO -0.07 0.12 -0.22 -0.33 0.00 0.00 0.00 178.15 177.65 2qei h GLU 62 N 0.68 0.95 -0.46 2.37 5.08 -0.45 -0.75 114.58 121.99 2qei h GLU 62 Ca 0.26 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2qei h GLU 62 Cb 0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2qei h GLU 62 CO -0.13 1.07 0.23 -1.49 -1.00 0.00 0.00 179.01 177.69 2qei h TRP 63 N 0.82 0.66 -0.20 4.33 4.06 -0.81 -1.19 115.95 123.61 2qei h TRP 63 Ca 0.11 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.03 2qei h TRP 63 Cb 0.79 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.74 2qei h TRP 63 CO 0.05 0.51 0.13 0.00 -3.56 0.00 0.00 178.44 175.57 2qei h ALA 64 N 1.08 0.26 -0.76 1.49 0.00 -0.77 -0.41 119.26 120.14 2qei h ALA 64 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qei h ALA 64 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2qei h ALA 64 CO -0.02 -0.25 0.46 0.52 0.00 0.00 0.00 179.25 179.96 2qei h MET 65 N 0.26 1.03 0.05 0.00 2.86 -1.00 -0.59 114.93 117.54 2qei h MET 65 Ca 0.07 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2qei h MET 65 Cb 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.45 2qei h MET 65 CO -0.01 0.73 -0.02 0.78 1.06 0.00 0.00 176.91 179.44 2qei h GLY 66 N 1.04 -0.07 0.95 8.32 0.00 -0.95 -0.06 103.07 112.31 2qei h GLY 66 Ca 0.27 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.65 2qei h GLY 66 CO -0.05 -0.02 0.55 -0.09 0.00 0.00 0.00 176.54 176.92 2qei h ARG 67 N -0.28 1.07 0.10 4.80 2.43 -0.89 0.17 114.38 121.77 2qei h ARG 67 Ca -0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2qei h ARG 67 Cb 0.25 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2qei h ARG 67 CO 0.01 0.71 -0.06 -0.92 -1.51 0.00 0.00 179.97 178.19 2qei h TYR 68 N 1.10 -0.17 -0.67 2.20 3.20 -0.98 -2.09 116.97 119.56 2qei h TYR 68 Ca 0.32 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 2qei h TYR 68 Cb -0.08 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2qei h TYR 68 CO -0.02 -0.10 0.31 0.78 -1.64 0.00 0.00 178.16 177.49 2qei h GLY 69 N -0.16 1.05 0.96 1.82 0.00 -0.54 -2.90 103.07 103.30 2qei h GLY 69 Ca -0.01 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 46.83 2qei h GLY 69 CO 0.00 0.50 0.59 -1.33 0.00 0.00 0.00 176.54 176.31 2qei h GLY 70 N 0.93 1.30 1.25 4.60 0.00 0.28 -0.05 103.07 111.38 2qei h GLY 70 Ca 0.23 -0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.22 2qei h GLY 70 CO -0.03 0.36 0.28 0.00 0.00 0.00 0.00 176.54 177.16 2qei h ALA 71 N 1.48 2.12 -0.47 3.60 0.00 -1.16 0.94 119.26 125.76 2qei h ALA 71 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2qei h ALA 71 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qei h ALA 71 CO -0.12 -0.45 0.00 1.04 0.00 0.00 0.00 179.25 179.72 2qei n GLN 72 N -4.06 3.26 -1.25 0.00 6.02 -0.39 -4.96 117.38 116.00 2qei n GLN 72 Ca 0.05 -2.62 -0.00 0.00 -0.01 0.00 0.00 57.00 54.41 2qei n GLN 72 Cb 0.45 -1.69 -0.00 0.00 1.02 0.00 0.00 30.24 30.02 2qei n GLN 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qei n GLY 73 N 0.59 0.38 2.98 1.08 0.00 0.32 -5.05 105.19 105.49 2qei n GLY 73 Ca 0.21 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 2qei n GLY 73 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qei s HIS 74 N -2.00 1.41 -0.72 1.61 3.76 -0.17 -4.87 115.29 114.31 2qei s HIS 74 Ca 0.00 -0.57 0.07 0.00 -0.15 0.00 0.00 55.06 54.41 2qei s HIS 74 Cb 0.00 -1.08 0.01 0.00 1.11 0.00 0.00 32.58 32.62 2qei s HIS 74 CO 0.00 -0.34 0.57 0.41 -0.85 0.00 0.00 174.74 174.53 2qei n GLY 75 N 4.16 -0.32 3.45 -2.22 0.00 -1.26 -1.64 105.19 107.35 2qei n GLY 75 Ca -0.20 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 2qei n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qei s THR 76 N -0.99 2.42 0.54 2.61 -4.23 -1.26 -3.53 115.64 111.19 2qei s THR 76 Ca 0.07 -2.22 0.19 0.00 -1.18 0.00 0.00 61.69 58.55 2qei s THR 76 Cb 0.06 -2.21 0.30 0.00 1.34 0.00 0.00 72.50 71.98 2qei s THR 76 CO 0.16 -0.26 2.16 0.71 -0.54 0.00 0.00 174.62 176.85 2qei h THR 77 N 2.73 0.88 -0.98 3.99 1.35 -1.86 -1.57 112.91 117.46 2qei h THR 77 Ca -0.43 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.45 2qei h THR 77 Cb 1.23 0.98 -0.05 0.00 -1.73 0.00 0.00 68.15 68.58 2qei h THR 77 CO 0.54 0.00 0.64 -0.65 -0.25 0.00 0.00 175.52 175.80 2qei h PRO 78 N 0.00 1.24 0.10 4.72 0.11 -1.82 0.61 132.00 136.97 2qei h PRO 78 Ca 0.02 -0.07 -0.21 0.00 0.11 0.00 0.00 66.00 65.85 2qei h PRO 78 Cb 0.09 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 30.92 2qei h PRO 78 CO -0.00 0.82 -1.03 0.00 -0.21 0.00 0.00 178.00 177.58 2qei h ALA 79 N 1.38 0.07 -0.83 -0.75 0.00 -1.86 -3.26 119.26 114.01 2qei h ALA 79 Ca 0.38 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2qei h ALA 79 Cb -0.07 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2qei h ALA 79 CO -0.10 0.56 0.53 0.82 0.00 0.00 0.00 179.25 181.06 2qei h ILE 80 N -0.47 1.22 -0.37 0.00 2.04 -1.22 -0.92 117.51 117.79 2qei h ILE 80 Ca -0.22 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 2qei h ILE 80 Cb 1.59 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2qei h ILE 80 CO 0.06 0.22 0.08 -0.26 0.00 0.00 0.00 178.15 178.25 2qei h PHE 81 N 1.12 0.56 -0.04 1.37 -1.00 -1.03 -1.87 116.94 116.05 2qei h PHE 81 Ca 0.30 -0.04 -0.13 0.00 2.81 0.00 0.00 57.97 60.92 2qei h PHE 81 Cb -0.10 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 2qei h PHE 81 CO -0.01 0.49 -0.57 -0.92 -1.61 0.00 0.00 178.31 175.70 2qei h TYR 82 N 0.54 0.14 -0.20 -0.55 3.20 -1.36 0.53 116.97 119.28 2qei h TYR 82 Ca 0.13 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 2qei h TYR 82 Cb 0.23 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2qei h TYR 82 CO 0.01 0.65 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.73 2qei h LEU 83 N 0.09 0.48 0.00 2.82 3.38 -0.43 -2.86 115.31 118.78 2qei h LEU 83 Ca -0.00 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2qei h LEU 83 Cb 1.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2qei h LEU 83 CO 0.08 0.82 -0.77 -0.07 0.09 0.00 0.00 178.44 178.59 2qei h LEU 84 N 0.38 0.00 -6.37 1.67 3.38 -1.12 -3.43 115.31 109.83 2qei h LEU 84 Ca 0.04 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 2qei h LEU 84 Cb 0.84 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.30 2qei h LEU 84 CO 0.07 0.44 -0.57 0.86 0.09 0.00 0.00 178.44 179.32 2qei s TRP 85 N -3.01 -0.82 -0.91 1.13 -0.00 0.15 -4.02 118.94 111.47 2qei s TRP 85 Ca 0.02 0.10 -0.21 0.00 -0.00 0.00 0.00 56.10 56.00 2qei s TRP 85 Cb 0.08 -0.26 -0.12 0.00 -0.00 0.00 0.00 33.47 33.17 2qei s TRP 85 CO 0.76 -0.97 1.96 -2.13 -0.00 0.00 0.00 176.95 176.57 2qei n ARG 86 N 5.25 1.73 -3.82 5.86 0.63 -1.09 -4.20 116.66 121.02 2qei n ARG 86 Ca 0.01 -2.03 -0.13 0.00 -0.92 0.00 0.00 57.85 54.77 2qei n ARG 86 Cb 0.48 -3.06 -0.15 0.00 0.45 0.00 0.00 32.46 30.19 2qei n ARG 86 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2qei s ASN 87 N 4.88 0.02 0.40 6.15 3.84 -1.26 -5.03 114.94 123.94 2qei s ASN 87 Ca 0.57 0.05 0.18 0.00 0.21 0.00 0.00 52.86 53.87 2qei s ASN 87 Cb 0.13 -0.01 1.09 0.00 -0.55 0.00 0.00 41.25 41.91 2qei s ASN 87 CO 0.09 -0.07 1.78 -0.09 -2.79 0.00 0.00 177.10 176.03 2qei h ARG 88 N 6.71 0.40 0.00 0.43 9.65 -1.99 0.46 114.38 130.03 2qei h ARG 88 Ca -0.35 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.50 2qei h ARG 88 Cb 1.17 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2qei h ARG 88 CO 0.49 0.26 -0.04 0.35 2.80 0.00 0.00 179.97 183.83 2qei h PHE 89 N 0.41 0.00 -0.34 2.20 3.57 -1.96 -1.94 116.94 118.88 2qei h PHE 89 Ca 0.57 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.95 2qei h PHE 89 Cb 1.44 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 2qei h PHE 89 CO -0.00 0.04 -0.30 0.00 -2.23 0.00 0.00 178.31 175.82 2qei h ALA 90 N 1.96 0.83 -0.56 2.41 0.00 -0.33 -1.70 119.26 121.87 2qei h ALA 90 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2qei h ALA 90 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qei h ALA 90 CO 0.01 0.64 0.02 0.87 0.00 0.00 0.00 179.25 180.78 2qei h LYS 91 N 0.62 0.98 -0.24 0.00 1.57 -1.41 -0.49 116.57 117.59 2qei h LYS 91 Ca 0.07 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2qei h LYS 91 Cb 0.82 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2qei h LYS 91 CO 0.07 0.97 -0.01 0.82 -0.57 0.00 0.00 179.45 180.73 2qei h ILE 92 N 0.87 1.26 -0.25 1.86 2.04 -1.38 -2.62 117.51 119.29 2qei h ILE 92 Ca 0.16 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2qei h ILE 92 Cb 0.52 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2qei h ILE 92 CO 0.03 0.29 -0.09 -0.07 0.00 0.00 0.00 178.15 178.31 2qei h LEU 93 N 0.20 0.38 -2.29 1.44 3.38 -1.28 -1.97 115.31 115.17 2qei h LEU 93 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qei h LEU 93 Cb 0.43 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qei h LEU 93 CO 0.01 0.51 -0.04 1.23 0.09 0.00 0.00 178.44 180.25 2qei h GLY 94 N 0.83 0.00 1.81 0.83 0.00 -0.75 -2.46 103.07 103.33 2qei h GLY 94 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.43 2qei h GLY 94 CO 0.02 0.00 0.07 -2.08 0.00 0.00 0.00 176.54 174.55 2qei h VAL 95 N 0.00 0.97 0.00 4.60 2.07 -1.00 -0.09 116.25 122.79 2qei h VAL 95 Ca -0.00 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 2qei h VAL 95 Cb 0.21 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2qei h VAL 95 CO 0.00 0.01 -0.01 -0.26 0.02 0.00 0.00 177.57 177.33 2qei h PHE 96 N 0.04 0.00 0.00 1.57 0.04 -1.61 0.60 116.94 117.57 2qei h PHE 96 Ca 0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2qei h PHE 96 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2qei h PHE 96 CO -0.00 0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.13 2qei n GLY 97 N -1.04 -1.07 0.29 -1.45 0.00 -0.05 -1.49 105.19 100.39 2qei n GLY 97 Ca -0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2qei n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qei n LEU 98 N -1.25 2.14 0.06 0.99 4.77 -0.00 -4.53 117.00 119.17 2qei n LEU 98 Ca 0.13 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 2qei n LEU 98 Cb 0.18 -0.25 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 2qei n LEU 98 CO 0.18 0.46 0.79 -0.25 -1.33 0.00 0.00 177.39 177.24 2qei h TRP 99 N -0.10 -0.08 0.12 -1.77 7.01 -0.98 -2.09 115.95 118.06 2qei h TRP 99 Ca -0.18 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 60.84 2qei h TRP 99 Cb 1.23 0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 28.29 2qei h TRP 99 CO -0.00 0.06 -0.24 0.82 -2.79 0.00 0.00 178.44 176.29 2qei h ILE 100 N -0.21 0.48 -0.37 2.65 2.04 -1.52 0.10 117.51 120.68 2qei h ILE 100 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2qei h ILE 100 Cb 0.18 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 2qei h ILE 100 CO 0.02 0.00 0.07 1.55 0.00 0.00 0.00 178.15 179.78 2qei h PRO 101 N -0.44 0.56 -0.19 2.37 0.13 -1.67 -0.37 132.00 132.37 2qei h PRO 101 Ca 0.03 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 2qei h PRO 101 Cb 0.46 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 2qei h PRO 101 CO -0.13 0.53 -0.01 1.25 -0.23 0.00 0.00 178.00 179.41 2qei h LEU 102 N 0.54 0.35 -0.70 1.56 5.85 -0.98 -0.75 115.31 121.19 2qei h LEU 102 Ca 0.12 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 2qei h LEU 102 Cb 0.25 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2qei h LEU 102 CO 0.00 0.59 -0.02 0.58 -0.34 0.00 0.00 178.44 179.25 2qei h VAL 103 N 0.10 1.26 -0.67 1.05 2.07 -0.54 -1.87 116.25 117.65 2qei h VAL 103 Ca 0.05 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 2qei h VAL 103 Cb 0.42 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2qei h VAL 103 CO 0.01 0.41 0.17 0.58 0.02 0.00 0.00 177.57 178.76 2qei h VAL 104 N 0.91 1.26 -0.59 2.57 2.07 -0.98 -2.62 116.25 118.86 2qei h VAL 104 Ca 0.16 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2qei h VAL 104 Cb 0.55 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2qei h VAL 104 CO 0.03 0.36 0.32 0.00 0.02 0.00 0.00 177.57 178.30 2qei h ALA 105 N 1.07 1.45 -0.15 1.67 0.00 -0.79 0.27 119.26 122.79 2qei h ALA 105 Ca 0.21 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2qei h ALA 105 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2qei h ALA 105 CO 0.00 0.45 0.15 0.82 0.00 0.00 0.00 179.25 180.67 2qei h ILE 106 N 0.83 0.57 0.00 0.00 2.04 -0.95 -2.00 117.51 118.00 2qei h ILE 106 Ca 0.21 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.98 2qei h ILE 106 Cb 0.03 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 2qei h ILE 106 CO -0.03 0.00 -1.39 0.00 0.00 0.00 0.00 178.15 176.72 2qei n TYR 107 N -3.95 0.00 -0.15 1.37 0.18 -0.98 -4.38 117.16 109.25 2qei n TYR 107 Ca 0.01 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 2qei n TYR 107 Cb 0.26 -0.27 -0.00 0.00 -0.38 0.00 0.00 39.34 38.95 2qei n TYR 107 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2qei h TYR 108 N 0.00 0.68 -0.23 -3.48 3.20 -0.32 -1.91 116.97 114.92 2qei h TYR 108 Ca -0.13 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.61 2qei h TYR 108 Cb 1.17 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2qei h TYR 108 CO 0.00 0.62 -0.11 0.28 -1.64 0.00 0.00 178.16 177.32 2qei h VAL 109 N 0.54 1.20 -0.27 1.81 2.07 -1.58 -0.60 116.25 119.42 2qei h VAL 109 Ca 0.14 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2qei h VAL 109 Cb 0.26 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2qei h VAL 109 CO -0.00 0.28 -0.02 0.22 0.02 0.00 0.00 177.57 178.06 2qei h TYR 110 N 0.34 0.54 -0.78 1.57 3.20 -1.68 0.10 116.97 120.26 2qei h TYR 110 Ca 0.07 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2qei h TYR 110 Cb 0.41 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2qei h TYR 110 CO 0.01 0.66 0.37 0.82 -1.64 0.00 0.00 178.16 178.39 2qei h ILE 111 N 0.26 1.24 -0.89 1.81 2.04 -1.05 -1.10 117.51 119.82 2qei h ILE 111 Ca 0.07 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.25 2qei h ILE 111 Cb 0.46 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2qei h ILE 111 CO 0.02 0.29 0.59 -0.08 0.00 0.00 0.00 178.15 178.97 2qei h GLU 112 N 1.11 1.18 -0.24 2.37 4.81 -0.80 -1.74 114.58 121.27 2qei h GLU 112 Ca 0.27 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2qei h GLU 112 Cb 0.11 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2qei h GLU 112 CO -0.03 0.79 -0.01 0.66 -0.73 0.00 0.00 179.01 179.68 2qei h SER 113 N 1.21 0.33 -0.87 1.04 4.64 0.44 -2.00 113.55 118.35 2qei h SER 113 Ca 0.33 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2qei h SER 113 Cb -0.13 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 61.83 2qei h SER 113 CO -0.07 0.40 0.47 -0.50 -0.87 0.00 0.00 176.83 176.26 2qei h TRP 114 N 0.35 1.20 -0.46 4.77 6.55 -0.63 -0.67 115.95 127.06 2qei h TRP 114 Ca 0.08 -0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.83 2qei h TRP 114 Cb 0.26 -0.38 -0.02 0.00 -0.86 0.00 0.00 29.16 28.15 2qei h TRP 114 CO 0.01 0.84 0.04 1.79 -1.05 0.00 0.00 178.44 180.07 2qei h THR 115 N 1.22 1.23 -0.35 1.49 1.35 -1.19 0.12 112.91 116.78 2qei h THR 115 Ca 0.31 -0.89 -0.10 0.00 -0.55 0.00 0.00 66.41 65.18 2qei h THR 115 Cb 0.04 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.28 2qei h THR 115 CO -0.05 0.32 -0.17 0.25 -0.25 0.00 0.00 175.52 175.62 2qei h LEU 116 N 0.70 0.76 -0.57 3.87 5.85 -1.12 -0.02 115.31 124.78 2qei h LEU 116 Ca 0.15 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 2qei h LEU 116 Cb 0.37 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2qei h LEU 116 CO 0.01 1.00 0.24 1.23 -0.34 0.00 0.00 178.44 180.58 2qei h GLY 117 N 0.52 0.90 1.23 3.75 0.00 -0.72 -1.13 103.07 107.62 2qei h GLY 117 Ca 0.08 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 2qei h GLY 117 CO 0.05 0.45 -0.10 0.74 0.00 0.00 0.00 176.54 177.69 2qei h PHE 118 N 0.78 1.01 -0.29 5.60 -1.00 -0.71 -1.65 116.94 120.67 2qei h PHE 118 Ca 0.19 -0.19 0.02 0.00 2.81 0.00 0.00 57.97 60.80 2qei h PHE 118 Cb 0.17 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 2qei h PHE 118 CO 0.00 0.95 0.13 0.00 -1.61 0.00 0.00 178.31 177.79 2qei h ALA 119 N 1.06 0.35 0.16 2.45 0.00 -0.59 0.12 119.26 122.81 2qei h ALA 119 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qei h ALA 119 Cb 0.62 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2qei h ALA 119 CO 0.04 -0.26 -0.12 0.82 0.00 0.00 0.00 179.25 179.73 2qei h ILE 120 N 0.28 0.73 -0.44 0.00 2.04 -1.03 0.22 117.51 119.30 2qei h ILE 120 Ca 0.12 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.93 2qei h ILE 120 Cb 0.06 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2qei h ILE 120 CO -0.10 0.00 0.04 0.11 0.00 0.00 0.00 178.15 178.20 2qei h LYS 121 N -0.30 0.69 -0.05 2.37 1.57 -1.07 -2.06 116.57 117.73 2qei h LYS 121 Ca -0.01 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.46 2qei h LYS 121 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2qei h LYS 121 CO -0.01 0.68 -0.68 0.74 -0.57 0.00 0.00 179.45 179.61 2qei h PHE 122 N 0.66 0.31 -0.41 -1.35 -1.00 -0.59 0.11 116.94 114.66 2qei h PHE 122 Ca 0.14 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 2qei h PHE 122 Cb 0.35 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 2qei h PHE 122 CO 0.02 0.83 0.08 1.25 -1.61 0.00 0.00 178.31 178.88 2qei h LEU 123 N 0.16 0.63 -0.73 1.54 5.85 -0.55 -2.86 115.31 119.34 2qei h LEU 123 Ca -0.02 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2qei h LEU 123 Cb 1.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2qei h LEU 123 CO 0.10 0.71 0.00 1.33 -0.34 0.00 0.00 178.44 180.25 2qei n VAL 124 N -4.54 0.10 -1.13 1.05 0.24 -0.81 -4.93 118.33 108.32 2qei n VAL 124 Ca -0.00 -0.22 -0.04 0.00 -2.04 0.00 0.00 64.34 62.03 2qei n VAL 124 Cb 0.22 0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 2qei n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qei n GLY 125 N 1.05 0.72 2.52 7.63 0.00 -0.77 -4.93 105.19 111.41 2qei n GLY 125 Ca 0.17 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 2qei n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qei n LEU 126 N -0.50 7.94 -4.47 0.99 4.77 0.31 -4.90 117.00 121.13 2qei n LEU 126 Ca -0.04 -4.76 -0.23 0.00 -0.03 0.00 0.00 56.01 50.95 2qei n LEU 126 Cb 0.18 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 39.75 2qei n LEU 126 CO 0.07 1.94 -0.34 0.68 -1.33 0.00 0.00 177.39 178.41 2qei s VAL 127 N -0.34 1.71 0.70 4.08 -7.23 -1.26 -4.74 120.40 113.32 2qei s VAL 127 Ca 0.54 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.50 2qei s VAL 127 Cb 0.17 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2qei s VAL 127 CO -0.07 -0.20 1.07 -2.16 -0.31 0.00 0.00 175.10 173.42 2qei s PRO 128 N -3.73 2.83 -0.27 4.82 0.04 -1.26 -5.05 135.00 132.37 2qei s PRO 128 Ca 0.32 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2qei s PRO 128 Cb 0.05 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.70 2qei s PRO 128 CO 0.14 -1.19 0.03 -1.21 0.04 0.00 0.00 177.00 174.81 2qei s GLU 129 N -4.89 1.17 1.01 4.56 2.02 -1.26 -5.03 118.70 116.28 2qei s GLU 129 Ca 0.59 -1.11 -0.14 0.00 0.02 0.00 0.00 54.97 54.33 2qei s GLU 129 Cb -0.15 -2.44 0.19 0.00 0.10 0.00 0.00 34.13 31.84 2qei s GLU 129 CO 0.53 -0.80 1.14 -2.14 0.02 0.00 0.00 175.26 174.01 2qei s PRO 130 N 1.44 0.34 0.76 0.39 0.02 -1.26 -5.07 135.00 131.61 2qei s PRO 130 Ca 0.03 0.20 -0.13 0.00 0.02 0.00 0.00 61.00 61.12 2qei s PRO 130 Cb -0.18 -1.75 0.18 0.00 0.02 0.00 0.00 34.50 32.76 2qei s PRO 130 CO -0.13 -2.72 1.01 -0.35 -0.33 0.00 0.00 177.00 174.48 2qei n PRO 131 N -4.11 -1.09 0.21 5.54 -0.04 -1.26 -5.06 135.00 129.19 2qei n PRO 131 Ca 0.08 -1.57 0.10 0.00 -0.04 0.00 0.00 63.50 62.08 2qei n PRO 131 Cb 0.59 -1.06 0.22 0.00 -0.04 0.00 0.00 33.50 33.21 2qei n PRO 131 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2qei h PRO 132 N 0.00 0.00 0.00 0.54 0.13 -1.97 -3.48 132.00 127.22 2qei h PRO 132 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2qei h PRO 132 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2qei h PRO 132 CO 0.23 0.14 -0.13 -2.37 -0.23 0.00 0.00 178.00 175.64 2qei n THR 135 N -3.16 0.00 -1.67 1.56 5.66 -1.26 -5.09 114.28 110.32 2qei n THR 135 Ca 0.03 -0.20 -0.48 0.00 -3.05 0.00 0.00 64.05 60.35 2qei n THR 135 Cb 0.54 0.81 -0.05 0.00 -1.55 0.00 0.00 70.33 70.09 2qei n THR 135 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2qei n ASP 136 N -0.60 3.12 0.00 1.09 2.03 -1.26 -4.91 116.55 116.02 2qei n ASP 136 Ca 0.00 1.03 -0.01 0.00 0.52 0.00 0.00 54.79 56.33 2qei n ASP 136 Cb 0.00 -1.37 -0.01 0.00 -0.72 0.00 0.00 41.12 39.03 2qei n ASP 136 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2qei h PRO 137 N 7.44 -0.04 -1.07 -0.67 0.11 -2.00 -2.88 132.00 132.89 2qei h PRO 137 Ca -0.47 0.00 0.29 0.00 0.11 0.00 0.00 66.00 65.93 2qei h PRO 137 Cb 1.27 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.29 2qei h PRO 137 CO 0.91 -0.02 0.68 -0.44 -0.21 0.00 0.00 178.00 178.92 2qei h ASP 138 N -0.04 0.44 0.28 -2.05 3.32 -1.97 0.42 116.42 116.83 2qei h ASP 138 Ca 0.00 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2qei h ASP 138 Cb 0.04 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2qei h ASP 138 CO -0.02 0.04 -0.03 0.77 -1.72 0.00 0.00 179.24 178.27 2qei h SER 139 N 0.37 0.00 0.04 6.45 4.64 -1.90 0.95 113.55 124.10 2qei h SER 139 Ca 0.64 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.58 2qei h SER 139 Cb 1.63 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.66 2qei h SER 139 CO -0.34 0.03 -2.35 -0.38 -0.87 0.00 0.00 176.83 172.92 2qei n ILE 140 N -3.35 1.54 0.06 0.95 5.41 0.14 -4.21 119.36 119.90 2qei n ILE 140 Ca -0.02 -0.63 -0.18 0.00 1.00 0.00 0.00 62.75 62.92 2qei n ILE 140 Cb 0.16 -1.35 -0.08 0.00 -0.71 0.00 0.00 39.64 37.65 2qei n ILE 140 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2qei h LEU 141 N 0.01 0.74 -0.55 1.39 3.38 -0.98 -3.35 115.31 115.95 2qei h LEU 141 Ca -0.54 -0.61 0.10 0.00 0.09 0.00 0.00 57.88 56.92 2qei h LEU 141 Cb 1.97 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 42.42 2qei h LEU 141 CO -0.03 1.41 0.11 -0.09 0.09 0.00 0.00 178.44 179.93 2qei h ARG 142 N 0.30 0.24 -0.87 1.13 2.43 -1.05 0.04 114.38 116.60 2qei h ARG 142 Ca -0.12 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2qei h ARG 142 Cb 1.68 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 31.12 2qei h ARG 142 CO 0.19 0.16 0.57 -1.35 -1.51 0.00 0.00 179.97 178.03 2qei h PRO 143 N 0.25 0.92 -0.00 0.20 0.11 -1.80 0.57 132.00 132.25 2qei h PRO 143 Ca 0.28 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.17 2qei h PRO 143 Cb 0.40 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 2qei h PRO 143 CO -0.37 0.61 -0.78 0.74 -0.21 0.00 0.00 178.00 177.99 2qei h PHE 144 N 0.95 0.02 -0.19 0.65 0.04 -1.41 -1.47 116.94 115.53 2qei h PHE 144 Ca 0.38 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 61.07 2qei h PHE 144 Cb 0.25 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 2qei h PHE 144 CO -0.00 0.79 -0.16 -0.22 -0.60 0.00 0.00 178.31 178.12 2qei h LYS 145 N 0.01 0.44 -0.37 1.51 3.64 -0.12 -2.40 116.57 119.28 2qei h LYS 145 Ca -0.01 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 2qei h LYS 145 Cb 1.38 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 2qei h LYS 145 CO 0.10 0.78 0.06 0.93 -2.27 0.00 0.00 179.45 179.05 2qei h GLU 146 N 0.11 0.55 -0.10 1.90 5.08 -0.88 -0.03 114.58 121.21 2qei h GLU 146 Ca 0.03 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2qei h GLU 146 Cb 0.68 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2qei h GLU 146 CO 0.04 0.53 0.05 0.35 -1.00 0.00 0.00 179.01 178.98 2qei h PHE 147 N 0.54 0.09 -0.19 4.33 3.57 -1.10 0.72 116.94 124.90 2qei h PHE 147 Ca 0.12 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2qei h PHE 147 Cb 0.26 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2qei h PHE 147 CO 0.01 0.06 -0.03 1.25 -2.23 0.00 0.00 178.31 177.36 2qei h LEU 148 N 0.11 0.36 -1.48 0.59 5.85 -1.01 -2.38 115.31 117.34 2qei h LEU 148 Ca 0.04 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.45 2qei h LEU 148 Cb 0.00 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2qei h LEU 148 CO -0.02 0.63 0.39 1.88 -0.34 0.00 0.00 178.44 180.97 2qei h TYR 149 N 0.09 0.65 0.00 1.25 -1.99 -0.84 -0.71 116.97 115.41 2qei h TYR 149 Ca 0.05 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.64 2qei h TYR 149 Cb 0.46 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 2qei h TYR 149 CO 0.05 0.37 -0.73 0.77 -0.00 0.00 0.00 178.16 178.62 2qei h SER 150 N 0.67 0.00 0.32 3.88 0.02 -0.80 0.92 113.55 118.55 2qei h SER 150 Ca 0.24 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2qei h SER 150 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2qei h SER 150 CO -0.07 0.73 -0.15 0.22 -1.14 0.00 0.00 176.83 176.42 2qei h TYR 151 N 0.00 -0.40 0.00 3.45 3.20 -0.63 -3.31 116.97 119.29 2qei h TYR 151 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2qei h TYR 151 Cb 1.35 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.75 2qei h TYR 151 CO 0.00 -0.05 -0.43 0.44 -1.64 0.00 0.00 178.16 176.48 2qei n ILE 152 N -5.11 0.19 -2.41 1.81 -5.35 -0.62 -1.46 119.36 106.42 2qei n ILE 152 Ca -0.09 -0.13 -0.03 0.00 -0.27 0.00 0.00 62.75 62.23 2qei n ILE 152 Cb 0.27 -0.09 0.01 0.00 -1.74 0.00 0.00 39.64 38.09 2qei n ILE 152 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qei n GLY 153 N 1.42 0.50 3.65 3.28 0.00 0.21 -3.14 105.19 111.11 2qei n GLY 153 Ca 0.05 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 2qei n GLY 153 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qei n VAL 154 N -2.08 1.86 -1.73 1.61 0.31 -0.56 -1.21 118.33 116.53 2qei n VAL 154 Ca -0.02 -0.46 -0.42 0.00 -0.01 0.00 0.00 64.34 63.42 2qei n VAL 154 Cb 0.52 -1.32 -0.02 0.00 -0.91 0.00 0.00 33.84 32.11 2qei n VAL 154 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qei n PRO 155 N 0.80 2.61 0.00 5.55 -0.02 -1.26 -4.84 135.00 137.84 2qei n PRO 155 Ca 0.08 0.93 0.09 0.00 -2.02 0.00 0.00 63.50 62.57 2qei n PRO 155 Cb 0.34 -2.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.03 2qei n PRO 155 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2qei n LYS 156 N 2.36 1.05 0.00 -0.52 5.02 -1.26 -4.99 118.16 119.83 2qei n LYS 156 Ca 0.10 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2qei n LYS 156 Cb 0.36 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2qei n LYS 156 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qei n GLY 157 N 1.40 4.78 0.08 0.72 0.00 -1.26 -5.06 105.19 105.85 2qei n GLY 157 Ca 0.04 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 2qei n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qei n ASP 158 N 0.00 0.44 -4.72 1.61 8.00 -1.26 -4.92 116.55 115.70 2qei n ASP 158 Ca 0.00 0.20 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 2qei n ASP 158 Cb 0.00 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 41.72 2qei n ASP 158 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qei s GLU 159 N -2.77 4.22 0.00 -1.24 2.02 -1.26 -4.86 118.70 114.81 2qei s GLU 159 Ca -0.06 2.35 -0.05 0.00 0.02 0.00 0.00 54.97 57.23 2qei s GLU 159 Cb 0.08 -3.14 -0.21 0.00 0.10 0.00 0.00 34.13 30.96 2qei s GLU 159 CO 0.83 -0.57 3.10 -0.35 0.02 0.00 0.00 175.26 178.29 2qei n PRO 160 N 3.63 1.67 -4.79 0.39 -0.04 -1.26 -4.84 135.00 129.75 2qei n PRO 160 Ca 0.12 -0.77 -0.33 0.00 -0.04 0.00 0.00 63.50 62.48 2qei n PRO 160 Cb 0.39 -1.83 -0.13 0.00 -0.04 0.00 0.00 33.50 31.89 2qei n PRO 160 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qei s ILE 161 N 1.07 3.22 0.04 0.52 -1.09 -1.26 -1.14 121.20 122.56 2qei s ILE 161 Ca 0.52 -0.64 -0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2qei s ILE 161 Cb 0.25 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 2qei s ILE 161 CO 0.00 0.57 0.17 -0.76 -1.23 0.00 0.00 174.94 173.69 2qei s LEU 162 N -0.40 4.23 -0.56 2.97 1.43 0.35 -3.99 118.68 122.71 2qei s LEU 162 Ca 0.05 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2qei s LEU 162 Cb -0.12 -2.73 0.19 0.00 0.03 0.00 0.00 46.19 43.56 2qei s LEU 162 CO 0.02 0.21 0.47 0.29 0.23 0.00 0.00 176.35 177.57 2qei n LYS 163 N 0.58 1.21 -1.70 1.70 4.76 -0.35 -4.62 118.16 119.74 2qei n LYS 163 Ca -0.08 -3.92 -0.42 0.00 -2.87 0.00 0.00 58.31 51.02 2qei n LYS 163 Cb 0.52 -1.96 -0.00 0.00 -1.84 0.00 0.00 35.03 31.75 2qei n LYS 163 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2qei n PRO 164 N 2.09 2.04 -1.00 1.97 -0.02 -1.19 -3.71 135.00 135.19 2qei n PRO 164 Ca 0.25 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 62.14 2qei n PRO 164 Cb 0.42 -2.33 0.13 0.00 -0.02 0.00 0.00 33.50 31.70 2qei n PRO 164 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qei s SER 165 N -0.39 3.65 0.27 2.55 1.04 -0.54 -4.83 113.70 115.46 2qei s SER 165 Ca 0.57 1.94 -0.04 0.00 0.48 0.00 0.00 55.95 58.90 2qei s SER 165 Cb -0.55 -2.51 0.33 0.00 0.10 0.00 0.00 66.02 63.39 2qei s SER 165 CO 0.61 -2.60 1.93 0.25 0.98 0.00 0.00 173.24 174.41 2qei h LEU 166 N -1.52 1.06 -0.60 2.42 5.85 -1.92 -2.26 115.31 118.34 2qei h LEU 166 Ca -0.44 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 2qei h LEU 166 Cb 1.25 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2qei h LEU 166 CO 0.47 0.78 0.32 0.15 -0.34 0.00 0.00 178.44 179.83 2qei h PHE 167 N 1.24 0.84 -0.86 1.25 3.57 -1.94 -1.85 116.94 119.19 2qei h PHE 167 Ca 0.33 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 2qei h PHE 167 Cb -0.12 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.32 2qei h PHE 167 CO 0.00 0.61 0.46 0.00 -2.23 0.00 0.00 178.31 177.16 2qei h ALA 168 N 1.14 1.19 -0.32 2.41 0.00 -1.71 -0.59 119.26 121.39 2qei h ALA 168 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qei h ALA 168 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2qei h ALA 168 CO -0.03 0.65 0.03 -0.92 0.00 0.00 0.00 179.25 178.97 2qei h TYR 169 N 1.21 0.59 -0.64 0.00 3.20 -1.10 -1.40 116.97 118.84 2qei h TYR 169 Ca 0.30 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 2qei h TYR 169 Cb 0.04 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2qei h TYR 169 CO 0.01 0.65 0.03 0.82 -1.64 0.00 0.00 178.16 178.03 2qei h ILE 170 N 0.36 1.27 -0.18 1.81 2.04 -1.15 -2.09 117.51 119.57 2qei h ILE 170 Ca 0.09 -1.13 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 2qei h ILE 170 Cb 0.39 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2qei h ILE 170 CO 0.01 0.41 -0.16 0.58 0.00 0.00 0.00 178.15 179.00 2qei h VAL 171 N 1.01 1.20 -0.44 1.67 2.07 -0.96 -0.02 116.25 120.78 2qei h VAL 171 Ca 0.18 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 2qei h VAL 171 Cb 0.53 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2qei h VAL 171 CO 0.03 0.29 0.02 0.15 0.02 0.00 0.00 177.57 178.07 2qei h PHE 172 N 0.27 0.83 -0.28 1.57 3.57 -0.88 0.16 116.94 122.18 2qei h PHE 172 Ca 0.05 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.45 2qei h PHE 172 Cb 0.45 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2qei h PHE 172 CO 0.01 0.81 0.09 -0.07 -2.23 0.00 0.00 178.31 176.92 2qei h LEU 173 N 0.62 0.09 -0.60 0.59 3.38 -0.67 -0.15 115.31 118.57 2qei h LEU 173 Ca 0.13 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2qei h LEU 173 Cb 0.47 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2qei h LEU 173 CO 0.02 0.09 0.37 0.40 0.09 0.00 0.00 178.44 179.41 2qei h ILE 174 N 0.21 1.17 -0.63 1.22 2.04 -0.77 -1.30 117.51 119.46 2qei h ILE 174 Ca 0.13 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2qei h ILE 174 Cb 0.10 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2qei h ILE 174 CO -0.13 0.17 0.41 0.74 0.00 0.00 0.00 178.15 179.34 2qei h THR 175 N 0.81 1.15 -0.74 -0.27 2.02 -0.15 0.17 112.91 115.89 2qei h THR 175 Ca 0.22 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 2qei h THR 175 Cb -0.04 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2qei h THR 175 CO -0.04 0.15 0.37 0.24 0.37 0.00 0.00 175.52 176.61 2qei h MET 176 N 0.84 1.06 -0.81 6.66 2.86 -0.72 -1.60 114.93 123.22 2qei h MET 176 Ca 0.24 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 2qei h MET 176 Cb -0.08 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.34 2qei h MET 176 CO -0.06 0.82 0.52 0.35 1.06 0.00 0.00 176.91 179.61 2qei h PHE 177 N 1.04 0.99 -0.48 -0.22 3.57 -0.22 -0.70 116.94 120.92 2qei h PHE 177 Ca 0.26 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 2qei h PHE 177 Cb 0.10 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2qei h PHE 177 CO 0.01 0.58 0.01 0.82 -2.23 0.00 0.00 178.31 177.50 2qei h ILE 178 N 1.03 1.26 -0.70 1.41 2.04 -0.53 0.11 117.51 122.13 2qei h ILE 178 Ca 0.32 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 2qei h ILE 178 Cb -0.02 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2qei h ILE 178 CO -0.10 0.37 0.43 0.78 0.00 0.00 0.00 178.15 179.62 2qei h ASN 179 N 0.69 0.84 -0.57 1.72 2.35 -0.95 -2.63 115.58 117.03 2qei h ASN 179 Ca 0.14 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 2qei h ASN 179 Cb 0.49 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2qei h ASN 179 CO 0.02 0.65 0.10 0.58 -1.65 0.00 0.00 177.43 177.13 2qei h VAL 180 N 0.95 1.26 -0.20 2.81 2.07 -0.83 -1.66 116.25 120.65 2qei h VAL 180 Ca 0.25 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.85 2qei h VAL 180 Cb -0.04 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2qei h VAL 180 CO -0.05 0.35 0.14 0.77 0.02 0.00 0.00 177.57 178.80 2qei h SER 181 N 0.84 0.05 0.00 0.57 4.64 -0.63 0.72 113.55 119.75 2qei h SER 181 Ca 0.18 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 2qei h SER 181 Cb 0.41 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 2qei h SER 181 CO 0.01 0.04 -0.44 0.40 -0.87 0.00 0.00 176.83 175.97 2qei h ILE 182 N 0.06 1.49 -0.55 0.95 2.04 -1.23 -3.37 117.51 116.91 2qei h ILE 182 Ca 0.09 -2.29 -0.02 0.00 1.00 0.00 0.00 64.86 63.63 2qei h ILE 182 Cb 0.28 3.00 -0.03 0.00 -0.74 0.00 0.00 36.82 39.33 2qei h ILE 182 CO -0.01 0.51 0.25 -0.07 0.00 0.00 0.00 178.15 178.83 2qei h LEU 183 N -0.99 0.70 -1.76 1.44 3.38 -1.03 -2.40 115.31 114.65 2qei h LEU 183 Ca -0.12 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2qei h LEU 183 Cb 1.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2qei h LEU 183 CO -0.07 0.61 0.00 -0.29 0.09 0.00 0.00 178.44 178.78 2qei h ILE 184 N 0.78 0.00 -0.00 1.22 2.10 -1.03 -0.74 117.51 119.83 2qei h ILE 184 Ca 0.19 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.92 2qei h ILE 184 Cb 0.10 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 2qei h ILE 184 CO -0.02 0.00 -0.25 0.54 -1.08 0.00 0.00 178.15 177.34 2qei n ARG 185 N -2.76 0.45 0.00 2.19 1.74 -0.90 -4.81 116.66 112.56 2qei n ARG 185 Ca -0.01 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 2qei n ARG 185 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2qei n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qei n GLY 186 N 1.38 -1.92 0.11 -0.13 0.00 -0.29 -3.34 105.19 101.01 2qei n GLY 186 Ca 0.10 -1.61 -0.04 0.00 0.00 0.00 0.00 46.02 44.47 2qei n GLY 186 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qei h ILE 187 N 0.00 0.00 -0.05 -0.61 1.08 -1.91 -0.42 117.51 115.60 2qei h ILE 187 Ca 0.00 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 2qei h ILE 187 Cb 0.00 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.75 2qei h ILE 187 CO 0.00 0.00 -0.03 0.77 -0.69 0.00 0.00 178.15 178.20 2qei h SER 188 N -0.36 0.12 1.42 1.72 4.64 -1.85 0.10 113.55 119.34 2qei h SER 188 Ca -0.03 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2qei h SER 188 Cb 0.21 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2qei h SER 188 CO 0.05 0.54 -0.08 0.11 -0.87 0.00 0.00 176.83 176.57 2qei h LYS 189 N -0.30 0.00 0.00 4.77 1.57 -1.76 -2.90 116.57 117.95 2qei h LYS 189 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2qei h LYS 189 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2qei h LYS 189 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 2qei n GLY 190 N 1.30 -0.12 0.10 3.86 0.00 -0.71 -4.54 105.19 105.08 2qei n GLY 190 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2qei n GLY 190 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qei h ILE 191 N 0.00 0.95 0.04 -0.61 2.04 -0.85 -1.20 117.51 117.88 2qei h ILE 191 Ca 0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2qei h ILE 191 Cb 0.00 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2qei h ILE 191 CO 0.00 0.03 -0.02 -0.08 0.00 0.00 0.00 178.15 178.08 2qei h GLU 192 N 0.14 -0.05 -0.69 2.37 4.81 -0.94 -0.82 114.58 119.40 2qei h GLU 192 Ca 0.08 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2qei h GLU 192 Cb 0.06 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 2qei h GLU 192 CO -0.09 0.12 0.39 -0.09 -0.73 0.00 0.00 179.01 178.61 2qei h ARG 193 N -0.22 0.71 -0.59 1.92 2.43 -1.44 -2.23 114.38 114.97 2qei h ARG 193 Ca -0.01 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 2qei h ARG 193 Cb 0.20 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2qei h ARG 193 CO 0.01 0.47 0.01 0.35 -1.51 0.00 0.00 179.97 179.30 2qei h PHE 194 N 0.73 1.12 -0.63 2.20 3.57 -1.07 -2.95 116.94 119.92 2qei h PHE 194 Ca 0.30 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2qei h PHE 194 Cb 0.16 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 2qei h PHE 194 CO -0.07 1.00 0.39 0.00 -2.23 0.00 0.00 178.31 177.40 2qei h ALA 195 N 0.98 1.52 0.00 2.41 0.00 -0.65 0.22 119.26 123.73 2qei h ALA 195 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qei h ALA 195 Cb 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qei h ALA 195 CO 0.03 0.43 -0.08 0.87 0.00 0.00 0.00 179.25 180.50 2qei h LYS 196 N 0.85 0.00 0.00 0.00 1.57 -1.24 -1.84 116.57 115.92 2qei h LYS 196 Ca 0.23 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.69 2qei h LYS 196 Cb -0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 2qei h LYS 196 CO -0.05 0.08 -1.71 -0.89 -0.57 0.00 0.00 179.45 176.31 2qei n ILE 197 N -3.41 1.54 -0.07 1.86 5.41 -0.47 -4.44 119.36 119.79 2qei n ILE 197 Ca -0.01 -0.17 -0.11 0.00 1.00 0.00 0.00 62.75 63.46 2qei n ILE 197 Cb 0.23 -1.97 -0.04 0.00 -0.71 0.00 0.00 39.64 37.14 2qei n ILE 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qei h ALA 198 N -0.63 0.30 -0.43 -1.39 0.00 -0.59 -3.06 119.26 113.47 2qei h ALA 198 Ca -0.47 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.29 2qei h ALA 198 Cb 1.44 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 2qei h ALA 198 CO -0.27 -0.04 0.25 0.52 0.00 0.00 0.00 179.25 179.71 2qei h MET 199 N 0.18 0.50 -0.53 0.00 2.86 -1.56 0.36 114.93 116.74 2qei h MET 199 Ca 0.07 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2qei h MET 199 Cb 0.29 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2qei h MET 199 CO 0.00 0.33 0.24 -1.35 1.06 0.00 0.00 176.91 177.19 2qei h PRO 200 N 0.51 0.78 -0.27 -0.22 0.11 -1.77 -0.08 132.00 131.05 2qei h PRO 200 Ca 0.17 -0.12 0.02 0.00 0.11 0.00 0.00 66.00 66.17 2qei h PRO 200 Cb 0.00 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 2qei h PRO 200 CO -0.07 0.65 0.13 1.15 -0.21 0.00 0.00 178.00 179.65 2qei h THR 201 N 0.72 0.99 -0.35 -1.15 2.02 -1.35 -1.36 112.91 112.43 2qei h THR 201 Ca 0.18 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.30 2qei h THR 201 Cb 0.14 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2qei h THR 201 CO -0.02 0.05 0.15 0.25 0.37 0.00 0.00 175.52 176.32 2qei h LEU 202 N 0.28 0.20 -0.33 2.58 6.46 0.03 -0.99 115.31 123.55 2qei h LEU 202 Ca 0.11 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2qei h LEU 202 Cb 0.04 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 2qei h LEU 202 CO -0.08 0.16 0.18 0.15 -0.62 0.00 0.00 178.44 178.23 2qei h PHE 203 N 0.32 0.45 -0.36 1.25 3.57 -0.71 -1.54 116.94 119.92 2qei h PHE 203 Ca 0.15 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2qei h PHE 203 Cb 0.09 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 2qei h PHE 203 CO -0.12 0.36 0.13 0.82 -2.23 0.00 0.00 178.31 177.28 2qei h ILE 204 N 0.42 1.20 -0.56 1.41 2.04 -1.04 -1.32 117.51 119.65 2qei h ILE 204 Ca 0.12 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.36 2qei h ILE 204 Cb 0.05 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2qei h ILE 204 CO -0.02 0.22 0.36 -0.07 0.00 0.00 0.00 178.15 178.65 2qei h LEU 205 N 0.44 0.62 -0.35 1.44 3.38 -1.10 -1.68 115.31 118.06 2qei h LEU 205 Ca 0.12 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2qei h LEU 205 Cb 0.21 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2qei h LEU 205 CO -0.01 0.45 0.13 0.00 0.09 0.00 0.00 178.44 179.10 2qei h ALA 206 N 1.21 0.46 -0.54 1.53 0.00 -1.09 -1.51 119.26 119.32 2qei h ALA 206 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qei h ALA 206 Cb -0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2qei h ALA 206 CO -0.06 0.08 0.28 0.28 0.00 0.00 0.00 179.25 179.84 2qei h VAL 207 N 0.42 1.19 -0.53 0.00 2.07 -1.09 -1.15 116.25 117.16 2qei h VAL 207 Ca 0.12 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.16 2qei h VAL 207 Cb 0.21 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2qei h VAL 207 CO -0.01 0.20 0.33 0.15 0.02 0.00 0.00 177.57 178.27 2qei h PHE 208 N 0.72 0.62 -0.75 1.57 3.57 -1.15 -1.30 116.94 120.21 2qei h PHE 208 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 2qei h PHE 208 Cb 0.07 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 2qei h PHE 208 CO -0.01 0.36 0.27 -0.07 -2.23 0.00 0.00 178.31 176.63 2qei h LEU 209 N 0.66 1.07 -0.35 0.59 3.38 -0.96 -0.78 115.31 118.92 2qei h LEU 209 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qei h LEU 209 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2qei h LEU 209 CO -0.08 0.97 0.16 0.58 0.09 0.00 0.00 178.44 180.16 2qei h VAL 210 N 1.11 1.17 -0.41 1.22 2.07 -0.79 0.53 116.25 121.14 2qei h VAL 210 Ca 0.25 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2qei h VAL 210 Cb 0.26 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2qei h VAL 210 CO -0.01 0.18 0.23 0.40 0.02 0.00 0.00 177.57 178.38 2qei h ILE 211 N 0.43 1.02 -0.43 4.57 2.04 -0.94 0.15 117.51 124.34 2qei h ILE 211 Ca 0.12 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2qei h ILE 211 Cb 0.13 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2qei h ILE 211 CO -0.01 0.08 0.17 -0.09 0.00 0.00 0.00 178.15 178.30 2qei h ARG 212 N 0.46 0.65 -0.53 2.37 9.65 -0.88 -2.66 114.38 123.44 2qei h ARG 212 Ca 0.17 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 2qei h ARG 212 Cb 0.04 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 2qei h ARG 212 CO -0.09 0.60 0.12 0.28 2.80 0.00 0.00 179.97 183.67 2qei h VAL 213 N 0.56 1.22 0.00 0.20 2.07 -0.51 -1.85 116.25 117.94 2qei h VAL 213 Ca 0.14 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2qei h VAL 213 Cb 0.19 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2qei h VAL 213 CO -0.01 0.30 0.00 0.49 0.02 0.00 0.00 177.57 178.37 2qei n PHE 214 N -4.27 0.13 1.04 1.57 3.01 0.49 -1.01 117.46 118.42 2qei n PHE 214 Ca 0.04 0.06 0.11 0.00 1.01 0.00 0.00 57.45 58.67 2qei n PHE 214 Cb 0.23 -0.59 0.12 0.00 -0.01 0.00 0.00 39.48 39.23 2qei n PHE 214 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2qei n LEU 215 N -1.63 0.94 -4.75 4.37 4.77 -0.70 -4.72 117.00 115.29 2qei n LEU 215 Ca 0.02 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 2qei n LEU 215 Cb 0.09 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2qei n LEU 215 CO 0.08 0.21 0.96 -0.76 -1.33 0.00 0.00 177.39 176.55 2qei s LEU 216 N -2.85 4.44 -0.27 2.23 1.43 -0.18 -5.02 118.68 118.46 2qei s LEU 216 Ca 0.13 2.50 -0.21 0.00 -1.03 0.00 0.00 54.13 55.52 2qei s LEU 216 Cb 0.17 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.84 2qei s LEU 216 CO 0.71 -0.49 0.72 -0.70 0.23 0.00 0.00 176.35 176.82 2qei s GLU 217 N -0.88 0.77 0.27 1.70 2.12 -1.26 -3.19 118.70 118.23 2qei s GLU 217 Ca 0.53 1.08 -0.02 0.00 0.36 0.00 0.00 54.97 56.91 2qei s GLU 217 Cb -0.37 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.29 2qei s GLU 217 CO 0.44 -0.12 0.31 0.95 -0.54 0.00 0.00 175.26 176.31 2qei s THR 218 N 0.90 0.00 0.57 -1.70 -4.23 0.05 -5.00 115.64 106.23 2qei s THR 218 Ca -0.04 -1.78 0.38 0.00 -1.18 0.00 0.00 61.69 59.06 2qei s THR 218 Cb -0.05 -2.48 0.38 0.00 1.34 0.00 0.00 72.50 71.69 2qei s THR 218 CO -0.08 0.00 2.15 -0.65 -0.54 0.00 0.00 174.62 175.50 2qei h PRO 219 N 2.32 0.00 0.00 3.99 0.11 -1.94 -1.00 132.00 135.48 2qei h PRO 219 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2qei h PRO 219 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qei h PRO 219 CO 0.43 0.00 -0.70 0.09 -0.21 0.00 0.00 178.00 177.61 2qei n ASN 220 N -2.92 0.68 0.00 -2.05 3.02 -1.26 -5.06 115.26 107.67 2qei n ASN 220 Ca -0.03 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2qei n ASN 220 Cb 0.17 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 2qei n ASN 220 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qei n GLY 221 N 1.35 -1.03 3.34 7.41 0.00 -0.38 -4.47 105.19 111.40 2qei n GLY 221 Ca 0.03 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 2qei n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qei s THR 222 N -2.63 0.75 0.53 2.61 -4.23 -1.26 -0.77 115.64 110.64 2qei s THR 222 Ca 0.00 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.71 2qei s THR 222 Cb 0.00 -2.62 0.29 0.00 1.34 0.00 0.00 72.50 71.51 2qei s THR 222 CO 0.00 -0.06 2.17 0.00 -0.54 0.00 0.00 174.62 176.19 2qei h ALA 223 N 2.35 1.83 -0.47 3.99 0.00 -1.74 -1.23 119.26 123.99 2qei h ALA 223 Ca -0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qei h ALA 223 Cb 1.24 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2qei h ALA 223 CO 0.63 0.02 0.28 0.00 0.00 0.00 0.00 179.25 180.18 2qei h ALA 224 N 1.98 1.60 -0.12 0.00 0.00 -1.90 -0.58 119.26 120.26 2qei h ALA 224 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2qei h ALA 224 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qei h ALA 224 CO 0.00 0.35 -0.24 -0.44 0.00 0.00 0.00 179.25 178.92 2qei h ASP 225 N 0.65 0.20 -0.19 0.00 3.32 -1.59 -0.55 116.42 118.26 2qei h ASP 225 Ca 0.17 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 2qei h ASP 225 Cb -0.02 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2qei h ASP 225 CO -0.03 0.45 -0.11 1.23 -1.72 0.00 0.00 179.24 179.06 2qei h GLY 226 N 0.91 0.44 1.01 2.75 0.00 -1.16 -2.34 103.07 104.68 2qei h GLY 226 Ca 0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2qei h GLY 226 CO 0.04 0.37 0.32 1.41 0.00 0.00 0.00 176.54 178.68 2qei h LEU 227 N 0.08 0.89 -1.13 3.11 3.38 -0.99 -2.17 115.31 118.50 2qei h LEU 227 Ca 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2qei h LEU 227 Cb 0.61 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2qei h LEU 227 CO 0.03 0.78 0.24 0.78 0.09 0.00 0.00 178.44 180.36 2qei h ASN 228 N 0.95 0.78 -0.50 -0.43 2.35 -1.07 -0.41 115.58 117.25 2qei h ASN 228 Ca 0.23 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 2qei h ASN 228 Cb 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2qei h ASN 228 CO -0.03 0.70 0.04 0.15 -1.65 0.00 0.00 177.43 176.64 2qei h PHE 229 N 0.84 0.96 0.04 1.19 3.57 -1.01 -2.51 116.94 120.02 2qei h PHE 229 Ca 0.20 -0.13 -0.23 0.00 3.53 0.00 0.00 57.97 61.35 2qei h PHE 229 Cb 0.16 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2qei h PHE 229 CO 0.01 0.85 -1.01 1.25 -2.23 0.00 0.00 178.31 177.18 2qei h LEU 230 N 0.84 0.32 -3.45 0.59 5.85 -0.76 -1.20 115.31 117.50 2qei h LEU 230 Ca 0.17 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 2qei h LEU 230 Cb 0.44 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2qei h LEU 230 CO 0.02 1.14 0.07 0.79 -0.34 0.00 0.00 178.44 180.12 2qei n TRP 231 N -3.60 1.54 -3.76 1.25 7.02 -0.22 -2.62 117.44 117.05 2qei n TRP 231 Ca -0.05 -1.08 -0.38 0.00 -1.02 0.00 0.00 57.50 54.97 2qei n TRP 231 Cb 0.89 -0.48 -0.12 0.00 -2.42 0.00 0.00 31.31 29.18 2qei n TRP 231 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2qei s THR 232 N -2.95 3.69 0.99 -0.99 2.01 -0.95 -4.97 115.64 112.46 2qei s THR 232 Ca 0.48 -1.27 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 2qei s THR 232 Cb 0.39 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.84 2qei s THR 232 CO 0.09 -0.25 0.52 -2.65 -0.69 0.00 0.00 174.62 171.65 2qei n PRO 233 N 4.78 -0.68 -3.09 4.92 -0.02 -1.26 -3.74 135.00 135.91 2qei n PRO 233 Ca -0.11 -0.16 -0.17 0.00 -2.02 0.00 0.00 63.50 61.04 2qei n PRO 233 Cb 0.44 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 2qei n PRO 233 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2qei n ASP 234 N -2.16 -1.54 0.00 2.55 -0.08 -1.26 -4.77 116.55 109.29 2qei n ASP 234 Ca 0.06 -2.71 0.00 0.00 -1.51 0.00 0.00 54.79 50.64 2qei n ASP 234 Cb 0.55 0.40 0.00 0.00 2.34 0.00 0.00 41.12 44.41 2qei n ASP 234 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2qei n PHE 235 N 2.46 0.00 -0.20 -0.67 3.72 -1.26 -0.89 117.46 120.62 2qei n PHE 235 Ca 0.22 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.69 2qei n PHE 235 Cb 0.53 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.26 2qei n PHE 235 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qei n GLU 236 N -0.76 2.81 -0.00 -1.08 1.02 -1.26 -4.26 120.64 117.10 2qei n GLU 236 Ca 0.00 -2.17 0.04 0.00 -0.02 0.00 0.00 57.16 55.01 2qei n GLU 236 Cb 0.00 -1.33 -0.05 0.00 -0.02 0.00 0.00 31.44 30.03 2qei n GLU 236 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2qei n LYS 237 N 0.76 2.55 0.03 3.49 3.00 -0.07 -4.54 118.16 123.39 2qei n LYS 237 Ca 0.14 -0.03 0.03 0.00 -0.00 0.00 0.00 58.31 58.45 2qei n LYS 237 Cb 0.47 -1.01 0.14 0.00 0.00 0.00 0.00 35.03 34.62 2qei n LYS 237 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2qei n LEU 238 N -1.45 0.12 -0.76 3.14 4.77 -1.25 -0.61 117.00 120.96 2qei n LEU 238 Ca 0.00 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.66 2qei n LEU 238 Cb 0.16 -0.57 0.29 0.00 -2.33 0.00 0.00 43.42 40.97 2qei n LEU 238 CO 0.16 -0.58 0.74 0.29 -1.33 0.00 0.00 177.39 176.67 2qei n LYS 239 N -1.66 2.04 -2.99 3.23 4.01 -1.26 -4.84 118.16 116.69 2qei n LYS 239 Ca -0.00 -1.52 -0.43 0.00 -0.51 0.00 0.00 58.31 55.85 2qei n LYS 239 Cb 0.02 -1.47 -0.06 0.00 -0.51 0.00 0.00 35.03 33.01 2qei n LYS 239 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2qei s ASP 240 N -1.95 6.44 0.16 4.39 -1.08 0.22 -4.95 116.67 119.90 2qei s ASP 240 Ca 0.33 0.00 -0.16 0.00 -0.52 0.00 0.00 52.55 52.21 2qei s ASP 240 Cb 0.20 -2.38 0.06 0.00 -1.46 0.00 0.00 42.92 39.34 2qei s ASP 240 CO 0.31 -0.83 1.78 -0.65 0.52 0.00 0.00 175.17 176.30 2qei h PRO 241 N 8.80 0.39 -0.99 4.34 0.11 -1.88 -2.71 132.00 140.06 2qei h PRO 241 Ca -0.25 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.05 2qei h PRO 241 Cb 1.09 -0.09 -0.10 0.00 0.11 0.00 0.00 31.00 32.02 2qei h PRO 241 CO 0.93 0.26 0.62 0.78 -0.21 0.00 0.00 178.00 180.38 2qei h GLY 242 N 0.40 1.47 1.10 -0.55 0.00 -1.97 0.72 103.07 104.24 2qei h GLY 242 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 2qei h GLY 242 CO -0.11 -0.07 0.02 -2.08 0.00 0.00 0.00 176.54 174.30 2qei h VAL 243 N 0.60 1.27 -0.54 4.60 2.07 -1.83 -1.08 116.25 121.33 2qei h VAL 243 Ca 0.56 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 2qei h VAL 243 Cb 1.10 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2qei h VAL 243 CO -0.32 0.41 -0.06 -0.50 0.02 0.00 0.00 177.57 177.12 2qei h TRP 244 N 0.99 1.11 -0.69 1.57 4.06 -0.88 0.64 115.95 122.75 2qei h TRP 244 Ca 0.18 -0.22 -0.03 0.00 2.06 0.00 0.00 58.89 60.88 2qei h TRP 244 Cb 0.54 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.39 2qei h TRP 244 CO 0.04 1.02 0.32 0.82 -3.56 0.00 0.00 178.44 177.07 2qei h ILE 245 N 0.87 1.23 -0.25 1.49 5.03 -0.97 -0.16 117.51 124.76 2qei h ILE 245 Ca 0.15 -0.68 -0.02 0.00 -0.12 0.00 0.00 64.86 64.18 2qei h ILE 245 Cb 0.62 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 34.81 2qei h ILE 245 CO 0.04 0.28 0.07 0.00 -0.68 0.00 0.00 178.15 177.86 2qei h ALA 246 N 1.15 0.33 -0.14 1.87 0.00 -0.92 -0.56 119.26 120.99 2qei h ALA 246 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qei h ALA 246 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qei h ALA 246 CO -0.03 -0.03 0.08 0.00 0.00 0.00 0.00 179.25 179.27 2qei h ALA 247 N 0.89 0.18 -0.65 0.00 0.00 -0.61 -1.00 119.26 118.08 2qei h ALA 247 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2qei h ALA 247 Cb 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2qei h ALA 247 CO -0.00 -0.28 0.07 0.28 0.00 0.00 0.00 179.25 179.32 2qei h VAL 248 N 0.13 1.26 -0.62 0.00 2.07 -1.02 -1.55 116.25 116.53 2qei h VAL 248 Ca 0.05 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2qei h VAL 248 Cb 0.07 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 2qei h VAL 248 CO -0.01 0.40 0.40 1.23 0.02 0.00 0.00 177.57 179.61 2qei h GLY 249 N 1.03 0.87 1.04 2.17 0.00 -0.88 -1.99 103.07 105.31 2qei h GLY 249 Ca 0.19 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 2qei h GLY 249 CO 0.02 0.30 0.16 -1.61 0.00 0.00 0.00 176.54 175.41 2qei h GLN 250 N 0.81 1.04 -0.64 4.80 5.75 -0.91 -1.87 115.11 124.09 2qei h GLN 250 Ca 0.23 -0.25 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 2qei h GLN 250 Cb -0.07 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.31 2qei h GLN 250 CO -0.06 0.93 0.40 0.82 -2.65 0.00 0.00 178.83 178.27 2qei h ILE 251 N 0.96 1.08 0.28 2.39 1.08 -0.87 0.14 117.51 122.57 2qei h ILE 251 Ca 0.20 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 2qei h ILE 251 Cb 0.36 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.35 2qei h ILE 251 CO 0.00 0.14 -0.14 -0.26 -0.69 0.00 0.00 178.15 177.21 2qei h PHE 252 N 0.78 -0.35 -0.19 1.37 0.04 -1.19 -2.38 116.94 115.02 2qei h PHE 252 Ca 0.26 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.04 2qei h PHE 252 Cb 0.02 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2qei h PHE 252 CO -0.05 -0.09 0.06 0.35 -0.60 0.00 0.00 178.31 177.99 2qei h PHE 253 N -0.59 0.12 -0.16 -0.55 3.57 -1.12 -0.89 116.94 117.32 2qei h PHE 253 Ca -0.04 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 2qei h PHE 253 Cb 0.43 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 2qei h PHE 253 CO -0.00 0.06 -0.20 0.00 -2.23 0.00 0.00 178.31 175.93 2qei h THR 254 N 0.16 1.22 -0.10 4.41 1.03 -0.77 -2.39 112.91 116.47 2qei h THR 254 Ca 0.08 -1.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 2qei h THR 254 Cb 0.05 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 68.46 2qei h THR 254 CO -0.08 0.31 0.00 0.18 -0.01 0.00 0.00 175.52 175.92 2qei n LEU 255 N -4.20 1.86 -2.07 0.00 4.77 -0.90 -4.46 117.00 112.01 2qei n LEU 255 Ca -0.01 -0.70 -0.18 0.00 -0.03 0.00 0.00 56.01 55.10 2qei n LEU 255 Cb 0.33 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2qei n LEU 255 CO 0.39 0.35 -0.23 -1.20 -1.33 0.00 0.00 177.39 175.37 2qei n SER 256 N 0.45 -5.31 -4.79 -1.43 7.64 -0.67 -4.75 113.62 104.75 2qei n SER 256 Ca 0.17 -0.01 -0.38 0.00 1.01 0.00 0.00 58.87 59.66 2qei n SER 256 Cb 0.39 -4.37 -0.06 0.00 -1.01 0.00 0.00 64.21 59.16 2qei n SER 256 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qei s LEU 257 N -5.23 4.52 0.00 -3.43 1.43 -0.43 -3.69 118.68 111.85 2qei s LEU 257 Ca 0.00 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 2qei s LEU 257 Cb 0.00 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.97 2qei s LEU 257 CO 0.00 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2qei n GLY 258 N 1.44 0.71 0.01 -3.19 0.00 -1.26 -4.61 105.19 98.29 2qei n GLY 258 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2qei n GLY 258 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qei n PHE 259 N -2.52 0.03 -0.91 1.61 0.99 -1.24 -4.45 117.46 110.98 2qei n PHE 259 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 2qei n PHE 259 Cb 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 39.48 38.33 2qei n PHE 259 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2qei n GLY 260 N 1.45 0.79 0.13 1.37 0.00 -1.26 -3.91 105.19 103.76 2qei n GLY 260 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2qei n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qei h ALA 261 N 0.00 -0.12 -0.56 4.61 0.00 -1.86 -2.44 119.26 118.89 2qei h ALA 261 Ca 0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 54.91 54.09 2qei h ALA 261 Cb 0.01 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2qei h ALA 261 CO 0.00 0.53 0.16 0.82 0.00 0.00 0.00 179.25 180.76 2qei h ILE 262 N -0.10 1.24 -0.28 0.00 1.08 -1.90 -1.63 117.51 115.92 2qei h ILE 262 Ca -0.20 -0.84 0.03 0.00 -0.39 0.00 0.00 64.86 63.47 2qei h ILE 262 Cb 1.89 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 36.33 2qei h ILE 262 CO 0.21 0.31 0.09 0.40 -0.69 0.00 0.00 178.15 178.47 2qei h ILE 263 N 0.79 0.91 -0.58 -0.67 2.04 -1.73 0.06 117.51 118.34 2qei h ILE 263 Ca 0.18 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 2qei h ILE 263 Cb 0.31 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2qei h ILE 263 CO -0.00 0.04 0.22 0.74 0.00 0.00 0.00 178.15 179.14 2qei h THR 264 N 0.21 1.23 -0.70 -0.27 2.02 -1.22 -1.82 112.91 112.36 2qei h THR 264 Ca 0.12 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 2qei h THR 264 Cb 0.10 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 2qei h THR 264 CO -0.14 0.28 0.30 1.88 0.37 0.00 0.00 175.52 178.21 2qei h TYR 265 N 0.80 1.04 0.00 3.16 -1.99 -1.00 -2.18 116.97 116.81 2qei h TYR 265 Ca 0.19 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.85 2qei h TYR 265 Cb 0.22 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.64 2qei h TYR 265 CO 0.01 0.79 0.00 0.00 -0.00 0.00 0.00 178.16 178.96 2qei h ALA 266 N 1.14 1.00 0.00 3.88 0.00 -0.64 -2.31 119.26 122.33 2qei h ALA 266 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qei h ALA 266 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qei h ALA 266 CO -0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 2qei n SER 267 N -2.70 0.00 -0.98 0.00 3.41 -0.72 -1.82 113.62 110.81 2qei n SER 267 Ca 0.00 0.39 0.10 0.00 -0.26 0.00 0.00 58.87 59.10 2qei n SER 267 Cb 0.20 -0.45 0.19 0.00 -0.26 0.00 0.00 64.21 63.88 2qei n SER 267 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2qei n TYR 268 N -1.45 0.46 -3.03 7.33 4.01 -0.87 -4.26 117.16 119.35 2qei n TYR 268 Ca 0.05 -0.28 -0.40 0.00 -0.16 0.00 0.00 57.90 57.12 2qei n TYR 268 Cb 0.18 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 2qei n TYR 268 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qei s VAL 269 N -1.29 4.94 0.42 -0.72 1.01 -0.76 -2.07 120.40 121.93 2qei s VAL 269 Ca 0.33 1.50 -0.25 0.00 0.00 0.00 0.00 61.98 63.56 2qei s VAL 269 Cb 0.19 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 2qei s VAL 269 CO 0.27 0.29 1.16 0.54 0.00 0.00 0.00 175.10 177.36 2qei n ARG 270 N 3.42 1.68 -0.38 2.72 1.74 -1.26 -4.84 116.66 119.75 2qei n ARG 270 Ca -0.02 0.60 0.34 0.00 -0.77 0.00 0.00 57.85 58.00 2qei n ARG 270 Cb 0.51 -2.24 0.67 0.00 -1.02 0.00 0.00 32.46 30.38 2qei n ARG 270 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2qei h LYS 271 N 1.86 0.13 0.00 5.56 3.64 -1.95 -0.67 116.57 125.14 2qei h LYS 271 Ca -0.46 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.82 2qei h LYS 271 Cb 1.31 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 2qei h LYS 271 CO 0.59 0.08 -1.32 -0.40 -2.27 0.00 0.00 179.45 176.13 2qei n ASP 272 N -4.37 0.75 -4.69 4.20 5.75 -1.26 -4.97 116.55 111.96 2qei n ASP 272 Ca 0.29 0.31 -0.43 0.00 -0.01 0.00 0.00 54.79 54.95 2qei n ASP 272 Cb 1.24 0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 41.80 2qei n ASP 272 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qei n GLN 273 N -2.73 2.07 -1.84 0.11 6.02 -0.26 -4.48 117.38 116.27 2qei n GLN 273 Ca -0.06 0.73 -0.37 0.00 -0.01 0.00 0.00 57.00 57.29 2qei n GLN 273 Cb 0.70 -2.30 0.05 0.00 1.02 0.00 0.00 30.24 29.71 2qei n GLN 273 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qei s ASP 274 N -0.30 5.06 0.00 1.08 2.15 -1.21 -4.83 116.67 118.61 2qei s ASP 274 Ca 0.56 2.62 0.00 0.00 0.43 0.00 0.00 52.55 56.16 2qei s ASP 274 Cb -0.58 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.42 2qei s ASP 274 CO 0.62 -1.70 0.00 2.30 -0.17 0.00 0.00 175.17 176.22 2qei n ILE 275 N -1.43 0.00 0.22 4.11 -5.35 -1.26 -4.67 119.36 110.98 2qei n ILE 275 Ca 0.13 -0.06 -0.13 0.00 -0.27 0.00 0.00 62.75 62.41 2qei n ILE 275 Cb 0.47 0.53 -0.08 0.00 -1.74 0.00 0.00 39.64 38.83 2qei n ILE 275 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2qei h VAL 276 N 0.00 0.47 -0.14 7.28 2.07 -1.86 0.11 116.25 124.18 2qei h VAL 276 Ca 0.00 -0.50 -0.23 0.00 0.82 0.00 0.00 66.70 66.79 2qei h VAL 276 Cb 0.00 0.67 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2qei h VAL 276 CO 0.00 0.08 -0.80 0.25 0.02 0.00 0.00 177.57 177.12 2qei h LEU 277 N -0.91 0.92 -0.33 2.57 5.85 -1.90 -2.35 115.31 119.16 2qei h LEU 277 Ca -0.06 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.05 2qei h LEU 277 Cb 0.56 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2qei h LEU 277 CO 0.10 1.41 0.20 0.28 -0.34 0.00 0.00 178.44 180.09 2qei h SER 278 N 0.52 0.40 -0.32 1.25 0.02 -1.83 -0.04 113.55 113.54 2qei h SER 278 Ca -0.06 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2qei h SER 278 Cb 1.43 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2qei h SER 278 CO 0.16 0.33 0.10 1.23 -1.14 0.00 0.00 176.83 177.52 2qei h GLY 279 N 0.43 0.53 1.01 -3.77 0.00 -0.81 -1.71 103.07 98.75 2qei h GLY 279 Ca 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2qei h GLY 279 CO -0.02 0.29 0.61 -2.00 0.00 0.00 0.00 176.54 175.42 2qei h LEU 280 N 0.36 1.06 -0.28 3.11 5.85 -1.23 -1.48 115.31 122.70 2qei h LEU 280 Ca 0.10 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2qei h LEU 280 Cb 0.24 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2qei h LEU 280 CO -0.00 0.77 0.07 0.74 -0.34 0.00 0.00 178.44 179.67 2qei h THR 281 N 1.25 1.21 -0.55 1.05 2.02 -0.82 0.65 112.91 117.73 2qei h THR 281 Ca 0.34 -0.71 0.02 0.00 0.77 0.00 0.00 66.41 66.83 2qei h THR 281 Cb -0.15 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2qei h THR 281 CO -0.07 0.23 0.34 0.00 0.37 0.00 0.00 175.52 176.38 2qei h ALA 282 N 0.90 0.70 -0.62 6.16 0.00 -1.03 0.12 119.26 125.49 2qei h ALA 282 Ca 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qei h ALA 282 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2qei h ALA 282 CO 0.00 0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.53 2qei h ALA 283 N 1.23 0.80 -0.51 0.00 0.00 -1.04 -1.89 119.26 117.86 2qei h ALA 283 Ca 0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2qei h ALA 283 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qei h ALA 283 CO -0.09 0.45 -0.01 1.15 0.00 0.00 0.00 179.25 180.76 2qei h THR 284 N 0.87 1.26 -0.67 0.00 2.02 -0.43 -1.72 112.91 114.25 2qei h THR 284 Ca 0.20 -1.10 0.02 0.00 0.77 0.00 0.00 66.41 66.30 2qei h THR 284 Cb 0.25 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2qei h THR 284 CO -0.01 0.39 0.43 -0.07 0.37 0.00 0.00 175.52 176.63 2qei h LEU 285 N 0.77 0.73 -0.36 2.58 3.38 -0.58 -1.03 115.31 120.80 2qei h LEU 285 Ca 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2qei h LEU 285 Cb 0.53 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2qei h LEU 285 CO 0.03 0.52 0.18 -1.13 0.09 0.00 0.00 178.44 178.13 2qei h ASN 286 N 0.87 0.47 -0.56 -0.43 -1.24 -1.06 -1.66 115.58 111.97 2qei h ASN 286 Ca 0.26 -0.12 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 2qei h ASN 286 Cb -0.05 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 2qei h ASN 286 CO -0.08 0.45 0.29 -0.33 -1.29 0.00 0.00 177.43 176.48 2qei h GLU 287 N 0.45 0.82 -0.06 6.67 4.39 -0.92 0.11 114.58 126.06 2qei h GLU 287 Ca 0.13 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2qei h GLU 287 Cb 0.10 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2qei h GLU 287 CO -0.02 0.63 0.01 0.87 -1.16 0.00 0.00 179.01 179.34 2qei h LYS 288 N 0.83 0.10 -0.42 2.33 1.57 -0.94 -0.04 116.57 120.00 2qei h LYS 288 Ca 0.21 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2qei h LYS 288 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2qei h LYS 288 CO -0.03 0.33 0.23 0.00 -0.57 0.00 0.00 179.45 179.41 2qei h ALA 289 N 0.76 1.62 0.18 3.86 0.00 -0.86 -0.64 119.26 124.18 2qei h ALA 289 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2qei h ALA 289 Cb 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qei h ALA 289 CO 0.00 0.32 -0.09 1.49 0.00 0.00 0.00 179.25 180.98 2qei h GLU 290 N 0.58 -0.23 0.01 0.00 4.81 -0.52 0.32 114.58 119.55 2qei h GLU 290 Ca 0.15 0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 2qei h GLU 290 Cb 0.01 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2qei h GLU 290 CO -0.03 -0.15 -0.88 -0.39 -0.73 0.00 0.00 179.01 176.83 2qei h VAL 291 N -1.01 1.52 0.02 0.32 -1.51 -1.07 0.17 116.25 114.70 2qei h VAL 291 Ca -0.02 -2.69 -0.23 0.00 -1.23 0.00 0.00 66.70 62.53 2qei h VAL 291 Cb 0.18 2.50 -0.03 0.00 -2.13 0.00 0.00 31.29 31.81 2qei h VAL 291 CO 0.04 0.78 -1.25 0.40 -1.23 0.00 0.00 177.57 176.31 2qei h ILE 292 N 0.08 0.97 0.00 7.19 2.04 -1.27 -3.32 117.51 123.20 2qei h ILE 292 Ca -0.04 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.59 2qei h ILE 292 Cb 1.51 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.99 2qei h ILE 292 CO 0.13 0.43 -0.24 -0.07 0.00 0.00 0.00 178.15 178.40 2qei h LEU 293 N -0.82 0.00 -1.23 1.44 3.38 -1.33 -3.17 115.31 113.58 2qei h LEU 293 Ca -0.32 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.66 2qei h LEU 293 Cb 1.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.11 2qei h LEU 293 CO -0.14 0.56 0.53 1.23 0.09 0.00 0.00 178.44 180.71 2qei h GLY 294 N -0.87 1.12 2.00 0.83 0.00 -0.10 -2.14 103.07 103.91 2qei h GLY 294 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 2qei h GLY 294 CO 0.00 0.38 -0.26 -1.33 0.00 0.00 0.00 176.54 175.33 2qei h GLY 295 N 1.04 0.00 -1.18 4.60 0.00 -0.76 -3.22 103.07 103.55 2qei h GLY 295 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2qei h GLY 295 CO -0.08 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.90 2qei n SER 296 N -3.43 2.22 0.00 0.19 7.64 -0.82 -4.42 113.62 114.99 2qei n SER 296 Ca 0.00 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.14 2qei n SER 296 Cb 0.45 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2qei n SER 296 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2qei n ILE 297 N 0.73 0.00 -0.18 0.44 5.41 -1.12 -4.55 119.36 120.09 2qei n ILE 297 Ca 0.17 0.05 -0.09 0.00 1.00 0.00 0.00 62.75 63.87 2qei n ILE 297 Cb 0.46 -0.92 0.01 0.00 -0.71 0.00 0.00 39.64 38.49 2qei n ILE 297 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2qei h SER 298 N 0.00 0.87 0.32 4.38 4.64 -1.85 -2.48 113.55 119.43 2qei h SER 298 Ca 0.00 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 2qei h SER 298 Cb 0.00 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 2qei h SER 298 CO 0.00 0.93 -0.15 0.40 -0.87 0.00 0.00 176.83 177.14 2qei h ILE 299 N 0.77 0.69 -0.83 0.95 1.08 -1.84 -0.81 117.51 117.52 2qei h ILE 299 Ca 0.15 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 2qei h ILE 299 Cb 0.46 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 2qei h ILE 299 CO 0.02 0.01 0.50 -0.65 -0.69 0.00 0.00 178.15 177.34 2qei h PRO 300 N -0.46 1.13 -0.20 2.37 0.11 -1.78 0.11 132.00 133.28 2qei h PRO 300 Ca -0.04 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 2qei h PRO 300 Cb 0.35 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2qei h PRO 300 CO 0.07 0.79 0.07 0.00 -0.21 0.00 0.00 178.00 178.72 2qei h ALA 301 N 1.41 0.26 -0.42 -0.75 0.00 -1.30 0.95 119.26 119.41 2qei h ALA 301 Ca 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2qei h ALA 301 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2qei h ALA 301 CO -0.06 -0.13 0.16 0.00 0.00 0.00 0.00 179.25 179.22 2qei h ALA 302 N 0.90 0.54 -0.52 0.00 0.00 -0.85 -2.45 119.26 116.88 2qei h ALA 302 Ca 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2qei h ALA 302 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2qei h ALA 302 CO -0.00 0.15 0.11 0.28 0.00 0.00 0.00 179.25 179.79 2qei h VAL 303 N 0.53 1.24 -0.97 0.00 2.07 -0.89 1.00 116.25 119.23 2qei h VAL 303 Ca 0.14 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.83 2qei h VAL 303 Cb 0.20 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2qei h VAL 303 CO -0.01 0.32 0.63 0.00 0.02 0.00 0.00 177.57 178.53 2qei h ALA 304 N 1.00 1.41 0.06 1.67 0.00 -0.64 0.27 119.26 123.03 2qei h ALA 304 Ca 0.16 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 2qei h ALA 304 Cb 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2qei h ALA 304 CO 0.00 0.46 -1.77 0.74 0.00 0.00 0.00 179.25 178.69 2qei h PHE 305 N 1.17 0.25 -0.00 0.00 -1.00 -1.25 -2.87 116.94 113.24 2qei h PHE 305 Ca 0.41 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 61.01 2qei h PHE 305 Cb 0.11 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2qei h PHE 305 CO -0.00 1.34 -0.11 1.19 -1.61 0.00 0.00 178.31 179.13 2qei n PHE 306 N -3.27 0.00 0.00 -0.55 3.72 0.33 -4.72 117.46 112.97 2qei n PHE 306 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2qei n PHE 306 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 2qei n PHE 306 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qei n GLY 307 N 0.79 -0.74 0.17 1.37 0.00 0.96 -4.16 105.19 103.59 2qei n GLY 307 Ca 0.01 -1.64 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 2qei n GLY 307 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qei h VAL 308 N 0.00 0.75 -0.58 1.61 2.07 -1.90 -1.54 116.25 116.66 2qei h VAL 308 Ca 0.00 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.56 2qei h VAL 308 Cb 0.00 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 2qei h VAL 308 CO 0.00 0.02 0.11 0.00 0.02 0.00 0.00 177.57 177.72 2qei h ALA 309 N 0.33 0.67 -0.19 1.67 0.00 -1.98 -0.12 119.26 119.64 2qei h ALA 309 Ca -0.04 0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2qei h ALA 309 Cb 0.30 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qei h ALA 309 CO 0.06 -0.32 -0.55 -0.91 0.00 0.00 0.00 179.25 177.54 2qei h ASN 310 N 0.24 0.62 -0.21 0.00 2.35 -1.71 -2.48 115.58 114.39 2qei h ASN 310 Ca 0.30 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2qei h ASN 310 Cb 0.45 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2qei h ASN 310 CO -0.40 1.04 0.14 0.00 -1.65 0.00 0.00 177.43 176.56 2qei h ALA 311 N 0.97 0.27 -0.73 -0.83 0.00 -0.37 -1.32 119.26 117.25 2qei h ALA 311 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2qei h ALA 311 Cb 1.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2qei h ALA 311 CO 0.10 -0.25 0.46 0.28 0.00 0.00 0.00 179.25 179.84 2qei h VAL 312 N 0.29 1.09 -0.83 0.00 2.07 -1.00 -1.96 116.25 115.92 2qei h VAL 312 Ca 0.08 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2qei h VAL 312 Cb -0.03 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 2qei h VAL 312 CO -0.02 0.16 0.50 0.00 0.02 0.00 0.00 177.57 178.23 2qei h ALA 313 N 1.32 1.32 -0.40 1.67 0.00 -0.99 -0.28 119.26 121.89 2qei h ALA 313 Ca 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qei h ALA 313 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2qei h ALA 313 CO -0.12 0.58 0.15 0.82 0.00 0.00 0.00 179.25 180.68 2qei h ILE 314 N 1.14 1.20 -0.33 0.00 2.04 -0.54 -1.21 117.51 119.80 2qei h ILE 314 Ca 0.30 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2qei h ILE 314 Cb -0.05 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2qei h ILE 314 CO -0.06 0.23 0.12 0.00 0.00 0.00 0.00 178.15 178.44 2qei h ALA 315 N 0.99 0.43 0.00 1.87 0.00 -0.88 -2.26 119.26 119.41 2qei h ALA 315 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2qei h ALA 315 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qei h ALA 315 CO -0.01 0.05 -0.11 0.87 0.00 0.00 0.00 179.25 180.05 2qei h LYS 316 N 0.38 0.00 0.00 0.00 1.57 -0.95 0.66 116.57 118.23 2qei h LYS 316 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2qei h LYS 316 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2qei h LYS 316 CO -0.01 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 2qei h ALA 317 N 1.89 1.00 -0.23 3.86 0.00 -0.62 -3.46 119.26 121.70 2qei h ALA 317 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qei h ALA 317 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2qei h ALA 317 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2qei n GLY 318 N -0.22 2.80 3.60 0.00 0.00 0.23 -4.82 105.19 106.77 2qei n GLY 318 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2qei n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qei n ALA 319 N 8.23 -1.13 -1.25 4.61 0.00 -1.26 -0.87 120.51 128.84 2qei n ALA 319 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2qei n ALA 319 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 19.45 16.19 2qei n ALA 319 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qei n PHE 320 N -4.15 0.00 0.10 0.00 3.72 -1.26 -4.90 117.46 110.96 2qei n PHE 320 Ca 0.01 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 2qei n PHE 320 Cb 0.53 -2.27 -0.05 0.00 -0.94 0.00 0.00 39.48 36.75 2qei n PHE 320 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2qei h ASN 321 N 0.00 -0.68 -0.01 4.37 2.35 -1.32 -2.43 115.58 117.87 2qei h ASN 321 Ca -0.18 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2qei h ASN 321 Cb 0.96 0.26 -0.05 0.00 0.05 0.00 0.00 38.32 39.54 2qei h ASN 321 CO 0.26 -0.32 -0.33 0.25 -1.65 0.00 0.00 177.43 175.64 2qei h LEU 322 N -0.42 -0.99 0.05 1.61 5.85 -1.83 0.13 115.31 119.71 2qei h LEU 322 Ca 0.04 0.13 -0.24 0.00 0.84 0.00 0.00 57.88 58.65 2qei h LEU 322 Cb 0.46 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 2qei h LEU 322 CO -0.16 -0.39 -1.12 1.23 -0.34 0.00 0.00 178.44 177.67 2qei h GLY 323 N -0.48 0.12 0.01 3.75 0.00 -1.93 -1.22 103.07 103.33 2qei h GLY 323 Ca 0.06 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2qei h GLY 323 CO -0.28 0.27 -1.70 0.69 0.00 0.00 0.00 176.54 175.53 2qei n PHE 324 N -3.41 0.01 0.04 5.60 3.72 -0.91 -4.56 117.46 117.94 2qei n PHE 324 Ca -0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2qei n PHE 324 Cb 0.98 -0.36 -0.00 0.00 -0.94 0.00 0.00 39.48 39.15 2qei n PHE 324 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2qei n ILE 325 N -2.04 1.23 0.21 4.37 5.41 -0.05 -4.76 119.36 123.72 2qei n ILE 325 Ca -0.02 0.39 -0.15 0.00 1.00 0.00 0.00 62.75 63.98 2qei n ILE 325 Cb 0.50 -1.62 -0.08 0.00 -0.71 0.00 0.00 39.64 37.73 2qei n ILE 325 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2qei h THR 326 N -0.04 0.65 -0.31 1.39 2.02 -0.88 -2.07 112.91 113.68 2qei h THR 326 Ca -0.00 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.04 2qei h THR 326 Cb 0.06 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2qei h THR 326 CO -0.00 0.03 0.13 0.25 0.37 0.00 0.00 175.52 176.30 2qei h LEU 327 N -0.58 0.16 -1.01 2.58 5.85 -1.45 -0.21 115.31 120.65 2qei h LEU 327 Ca -0.05 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 2qei h LEU 327 Cb 0.43 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2qei h LEU 327 CO 0.08 0.13 -0.05 1.55 -0.34 0.00 0.00 178.44 179.81 2qei h PRO 328 N 0.27 0.65 -0.52 5.25 0.13 -1.80 -0.75 132.00 135.23 2qei h PRO 328 Ca 0.13 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2qei h PRO 328 Cb 0.08 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2qei h PRO 328 CO -0.12 0.71 0.27 0.00 -0.23 0.00 0.00 178.00 178.63 2qei h ALA 329 N 1.34 0.67 -0.29 -0.56 0.00 -0.90 -0.17 119.26 119.35 2qei h ALA 329 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qei h ALA 329 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qei h ALA 329 CO 0.02 0.22 0.14 0.82 0.00 0.00 0.00 179.25 180.45 2qei h ILE 330 N 0.70 1.15 -0.70 0.00 2.04 -0.68 -2.69 117.51 117.33 2qei h ILE 330 Ca 0.18 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.61 2qei h ILE 330 Cb 0.09 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2qei h ILE 330 CO -0.03 0.16 0.47 -0.26 0.00 0.00 0.00 178.15 178.49 2qei h PHE 331 N 0.34 0.88 0.00 1.37 0.04 -0.82 -1.75 116.94 117.00 2qei h PHE 331 Ca 0.10 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2qei h PHE 331 Cb 0.12 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.97 2qei h PHE 331 CO -0.02 0.55 0.04 0.66 -0.60 0.00 0.00 178.31 178.94 2qei h SER 332 N 0.95 0.00 -0.03 2.17 4.64 -0.68 0.50 113.55 121.10 2qei h SER 332 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2qei h SER 332 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2qei h SER 332 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 2qei n GLN 333 N -2.60 1.49 -4.40 4.77 1.13 -0.66 -4.86 117.38 112.26 2qei n GLN 333 Ca -0.02 -0.72 -0.27 0.00 -1.94 0.00 0.00 57.00 54.05 2qei n GLN 333 Cb 0.09 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 28.86 2qei n GLN 333 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2qei s THR 334 N -1.98 2.52 0.21 5.09 -4.23 0.17 -5.06 115.64 112.35 2qei s THR 334 Ca 0.39 -1.99 -0.31 0.00 -1.18 0.00 0.00 61.69 58.61 2qei s THR 334 Cb 0.21 -2.22 -0.11 0.00 1.34 0.00 0.00 72.50 71.72 2qei s THR 334 CO 0.33 -0.13 1.59 0.00 -0.54 0.00 0.00 174.62 175.87 2qei s ALA 335 N -1.73 3.79 -0.44 3.99 0.00 -1.26 -0.91 121.76 125.21 2qei s ALA 335 Ca 0.22 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2qei s ALA 335 Cb -0.08 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2qei s ALA 335 CO 0.11 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.44 2qei n GLY 336 N 3.33 0.69 0.23 0.00 0.00 -1.26 -4.92 105.19 103.26 2qei n GLY 336 Ca 0.12 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.71 2qei n GLY 336 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qei h GLY 337 N 0.00 0.00 1.17 -0.02 0.00 -1.16 -1.55 103.07 101.51 2qei h GLY 337 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.05 2qei h GLY 337 CO 0.12 0.00 -0.59 -0.84 0.00 0.00 0.00 176.54 175.23 2qei h THR 338 N 0.00 1.27 -0.33 4.70 2.02 -1.82 -0.92 112.91 117.83 2qei h THR 338 Ca -0.00 -1.78 -0.11 0.00 0.77 0.00 0.00 66.41 65.30 2qei h THR 338 Cb 0.37 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 2qei h THR 338 CO 0.02 0.58 -0.23 0.15 0.37 0.00 0.00 175.52 176.41 2qei h PHE 339 N 0.65 0.74 -0.85 3.16 3.57 -1.74 -1.23 116.94 121.24 2qei h PHE 339 Ca 0.00 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 2qei h PHE 339 Cb 1.20 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 2qei h PHE 339 CO 0.07 0.83 0.49 1.25 -2.23 0.00 0.00 178.31 178.73 2qei h LEU 340 N 0.57 1.03 -0.67 0.59 7.12 -1.08 -0.42 115.31 122.46 2qei h LEU 340 Ca 0.08 -0.07 -0.06 0.00 0.13 0.00 0.00 57.88 57.96 2qei h LEU 340 Cb 0.71 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.55 2qei h LEU 340 CO 0.05 0.80 0.18 1.23 -0.13 0.00 0.00 178.44 180.58 2qei h GLY 341 N 1.19 1.14 0.86 3.75 0.00 -0.47 -2.01 103.07 107.53 2qei h GLY 341 Ca 0.30 -0.70 0.02 0.00 0.00 0.00 0.00 47.33 46.95 2qei h GLY 341 CO -0.05 0.65 0.07 -2.75 0.00 0.00 0.00 176.54 174.46 2qei h PHE 342 N 0.99 0.12 -0.98 5.60 3.57 -0.09 -1.57 116.94 124.58 2qei h PHE 342 Ca 0.21 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.78 2qei h PHE 342 Cb 0.34 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 2qei h PHE 342 CO 0.03 0.06 0.64 -0.07 -2.23 0.00 0.00 178.31 176.74 2qei h LEU 343 N 0.16 1.02 0.23 0.59 3.38 -0.83 0.20 115.31 120.06 2qei h LEU 343 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2qei h LEU 343 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2qei h LEU 343 CO -0.08 0.66 -0.11 -0.25 0.09 0.00 0.00 178.44 178.75 2qei h TRP 344 N 1.16 -0.29 -0.00 1.13 -0.00 -0.94 0.03 115.95 117.05 2qei h TRP 344 Ca 0.42 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.89 59.21 2qei h TRP 344 Cb 0.14 0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.39 2qei h TRP 344 CO -0.00 -0.11 -0.43 0.74 -0.00 0.00 0.00 178.44 178.64 2qei h PHE 345 N -0.40 0.00 -0.42 2.65 0.04 -0.86 -0.49 116.94 117.46 2qei h PHE 345 Ca -0.03 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.61 2qei h PHE 345 Cb 0.31 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2qei h PHE 345 CO -0.03 0.43 -0.23 0.35 -0.60 0.00 0.00 178.31 178.23 2qei h PHE 346 N 0.00 1.03 -0.20 -0.55 3.57 -0.47 -0.59 116.94 119.74 2qei h PHE 346 Ca -0.00 -0.27 0.01 0.00 3.53 0.00 0.00 57.97 61.24 2qei h PHE 346 Cb 0.76 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2qei h PHE 346 CO 0.00 1.06 0.11 1.25 -2.23 0.00 0.00 178.31 178.50 2qei h LEU 347 N 0.71 0.18 -1.03 0.59 5.85 -0.54 -1.65 115.31 119.42 2qei h LEU 347 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2qei h LEU 347 Cb 0.80 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2qei h LEU 347 CO 0.07 0.13 0.61 -0.07 -0.34 0.00 0.00 178.44 178.84 2qei h LEU 348 N 0.23 1.11 -0.08 2.25 3.38 -0.94 -1.10 115.31 120.16 2qei h LEU 348 Ca 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qei h LEU 348 Cb 0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2qei h LEU 348 CO -0.04 0.82 0.04 0.15 0.09 0.00 0.00 178.44 179.50 2qei h PHE 349 N 1.30 0.12 -0.54 1.13 3.57 -0.69 0.17 116.94 122.01 2qei h PHE 349 Ca 0.35 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2qei h PHE 349 Cb -0.12 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 2qei h PHE 349 CO 0.00 0.23 0.11 0.74 -2.23 0.00 0.00 178.31 177.16 2qei h PHE 350 N -0.01 0.87 -0.53 0.41 -1.00 -1.14 0.20 116.94 115.75 2qei h PHE 350 Ca 0.03 -0.09 -0.06 0.00 2.81 0.00 0.00 57.97 60.66 2qei h PHE 350 Cb 0.15 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 2qei h PHE 350 CO -0.02 0.74 0.10 0.00 -1.61 0.00 0.00 178.31 177.52 2qei h ALA 351 N 1.32 0.70 -0.21 2.45 0.00 -0.94 -2.23 119.26 120.34 2qei h ALA 351 Ca 0.17 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2qei h ALA 351 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qei h ALA 351 CO 0.00 0.42 -0.37 0.78 0.00 0.00 0.00 179.25 180.08 2qei h GLY 352 N 0.75 0.68 0.92 0.00 0.00 -0.29 -3.14 103.07 101.99 2qei h GLY 352 Ca 0.16 -0.79 0.02 0.00 0.00 0.00 0.00 47.33 46.72 2qei h GLY 352 CO 0.01 0.71 0.34 -2.00 0.00 0.00 0.00 176.54 175.60 2qei h LEU 353 N 0.31 0.57 -2.09 3.11 5.85 -0.54 0.29 115.31 122.81 2qei h LEU 353 Ca 0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2qei h LEU 353 Cb 0.97 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2qei h LEU 353 CO 0.08 0.40 -0.04 0.71 -0.34 0.00 0.00 178.44 179.25 2qei h THR 354 N 0.68 0.19 0.09 1.05 1.35 -1.47 -2.39 112.91 112.41 2qei h THR 354 Ca 0.22 -0.37 -0.35 0.00 -0.55 0.00 0.00 66.41 65.35 2qei h THR 354 Cb -0.01 1.30 -0.03 0.00 -1.73 0.00 0.00 68.15 67.68 2qei h THR 354 CO -0.08 0.04 -2.00 -1.20 -0.25 0.00 0.00 175.52 172.03 2qei n SER 355 N -3.27 1.81 0.01 5.36 7.64 -0.62 -3.78 113.62 120.78 2qei n SER 355 Ca -0.01 0.21 -0.03 0.00 1.01 0.00 0.00 58.87 60.04 2qei n SER 355 Cb 0.21 -0.61 0.20 0.00 -1.01 0.00 0.00 64.21 63.00 2qei n SER 355 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2qei h SER 356 N 0.05 0.49 0.04 6.43 4.64 -0.28 -1.53 113.55 123.40 2qei h SER 356 Ca -0.42 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 60.67 2qei h SER 356 Cb 2.03 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.97 2qei h SER 356 CO 0.07 0.73 -0.20 0.16 -0.87 0.00 0.00 176.83 176.72 2qei h ILE 357 N 0.43 1.23 -0.41 0.95 3.07 -1.62 -2.33 117.51 118.83 2qei h ILE 357 Ca 0.06 -1.04 -0.13 0.00 1.55 0.00 0.00 64.86 65.30 2qei h ILE 357 Cb 0.67 1.32 -0.01 0.00 -0.27 0.00 0.00 36.82 38.53 2qei h ILE 357 CO 0.05 0.32 -0.28 0.00 -1.05 0.00 0.00 178.15 177.19 2qei h ALA 358 N 1.52 0.74 0.00 0.16 0.00 -1.50 -2.38 119.26 117.80 2qei h ALA 358 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qei h ALA 358 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qei h ALA 358 CO 0.03 0.66 -0.05 0.44 0.00 0.00 0.00 179.25 180.34 2qei n ILE 359 N -4.09 0.11 0.01 0.00 -5.35 -0.64 -3.31 119.36 106.09 2qei n ILE 359 Ca -0.01 -0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.53 2qei n ILE 359 Cb 0.48 -0.46 -0.14 0.00 -1.74 0.00 0.00 39.64 37.78 2qei n ILE 359 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2qei n MET 360 N -1.64 0.65 0.26 6.28 2.81 -0.91 -4.33 117.12 120.24 2qei n MET 360 Ca 0.07 -0.13 0.10 0.00 -1.81 0.00 0.00 57.70 55.92 2qei n MET 360 Cb 0.36 -1.58 0.71 0.00 -0.71 0.00 0.00 33.22 31.99 2qei n MET 360 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 2qei h GLN 361 N 0.00 0.00 -0.47 0.03 5.75 -1.42 -2.70 115.11 116.30 2qei h GLN 361 Ca -0.01 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2qei h GLN 361 Cb 1.02 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 2qei h GLN 361 CO 0.00 0.00 0.23 -1.35 -2.65 0.00 0.00 178.83 175.06 2qei h PRO 362 N 0.00 0.68 -0.49 -2.39 0.11 -1.75 0.31 132.00 128.46 2qei h PRO 362 Ca 0.01 -0.10 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 2qei h PRO 362 Cb 0.04 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 2qei h PRO 362 CO -0.00 0.57 -0.07 1.98 -0.21 0.00 0.00 178.00 180.27 2qei h MET 363 N 0.62 0.87 -0.21 1.05 1.85 -1.78 -0.65 114.93 116.69 2qei h MET 363 Ca 0.16 -0.28 -0.01 0.00 -0.61 0.00 0.00 59.70 58.96 2qei h MET 363 Cb 0.11 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.05 2qei h MET 363 CO -0.02 0.91 0.09 0.82 -0.40 0.00 0.00 176.91 178.31 2qei h ILE 364 N 0.79 1.16 -0.85 1.77 2.04 -1.13 -1.70 117.51 119.59 2qei h ILE 364 Ca 0.14 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2qei h ILE 364 Cb 0.57 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2qei h ILE 364 CO 0.03 0.15 0.48 0.00 0.00 0.00 0.00 178.15 178.82 2qei h ALA 365 N 0.94 1.09 -0.18 1.87 0.00 -0.20 -0.87 119.26 121.91 2qei h ALA 365 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qei h ALA 365 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qei h ALA 365 CO -0.01 0.59 0.10 0.35 0.00 0.00 0.00 179.25 180.28 2qei h PHE 366 N 1.18 0.25 -0.65 0.00 3.57 -0.92 0.49 116.94 120.86 2qei h PHE 366 Ca 0.30 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 2qei h PHE 366 Cb 0.01 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 2qei h PHE 366 CO 0.00 0.23 0.24 -0.07 -2.23 0.00 0.00 178.31 176.48 2qei h LEU 367 N 0.19 0.88 0.05 0.59 3.38 -0.99 0.18 115.31 119.60 2qei h LEU 367 Ca 0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qei h LEU 367 Cb 0.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2qei h LEU 367 CO -0.01 0.80 -0.03 -0.33 0.09 0.00 0.00 178.44 178.97 2qei h GLU 368 N 0.94 -0.07 -0.05 1.13 5.08 -0.91 -0.51 114.58 120.19 2qei h GLU 368 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2qei h GLU 368 Cb 0.21 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2qei h GLU 368 CO -0.02 0.54 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.09 2qei h ASP 369 N -0.80 0.09 0.20 1.42 3.32 0.03 -2.76 116.42 117.91 2qei h ASP 369 Ca -0.01 -0.32 -0.35 0.00 0.02 0.00 0.00 57.03 56.38 2qei h ASP 369 Cb 0.64 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 2qei h ASP 369 CO 0.01 0.38 -2.06 -0.62 -1.72 0.00 0.00 179.24 175.23 2qei n GLU 370 N -4.88 0.69 -0.08 3.56 -0.58 0.62 -4.39 120.64 115.59 2qei n GLU 370 Ca -0.07 0.21 0.09 0.00 -0.42 0.00 0.00 57.16 56.97 2qei n GLU 370 Cb 0.19 -1.67 0.13 0.00 -0.57 0.00 0.00 31.44 29.51 2qei n GLU 370 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2qei n LEU 371 N -3.18 2.83 -2.51 -4.62 4.77 -1.05 -4.73 117.00 108.51 2qei n LEU 371 Ca -0.30 -1.26 -0.20 0.00 -0.03 0.00 0.00 56.01 54.22 2qei n LEU 371 Cb 1.06 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 42.04 2qei n LEU 371 CO 0.41 0.56 -0.21 0.29 -1.33 0.00 0.00 177.39 177.11 2qei n LYS 372 N 1.10 -2.25 -1.97 3.23 4.76 -0.65 -4.94 118.16 117.44 2qei n LYS 372 Ca 0.13 0.93 -0.32 0.00 -2.87 0.00 0.00 58.31 56.19 2qei n LYS 372 Cb 0.49 -5.62 0.01 0.00 -1.84 0.00 0.00 35.03 28.07 2qei n LYS 372 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qei s LEU 373 N -6.09 3.39 0.72 -0.35 1.43 -0.29 -4.95 118.68 112.54 2qei s LEU 373 Ca 0.05 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 2qei s LEU 373 Cb -0.02 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.71 2qei s LEU 373 CO 0.06 -1.07 1.07 -0.94 0.23 0.00 0.00 176.35 175.70 2qei s SER 374 N -3.33 5.05 0.23 2.29 1.04 -1.26 -4.30 113.70 113.42 2qei s SER 374 Ca 0.60 1.72 -0.08 0.00 0.48 0.00 0.00 55.95 58.67 2qei s SER 374 Cb -0.13 -2.51 0.26 0.00 0.10 0.00 0.00 66.02 63.74 2qei s SER 374 CO 0.43 -1.67 1.85 -0.09 0.98 0.00 0.00 173.24 174.75 2qei h ARG 375 N -0.80 0.92 0.07 4.02 2.43 -1.96 -0.23 114.38 118.82 2qei h ARG 375 Ca -0.44 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2qei h ARG 375 Cb 1.22 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.52 2qei h ARG 375 CO 0.55 0.61 -0.28 -0.22 -1.51 0.00 0.00 179.97 179.11 2qei h LYS 376 N 0.95 -0.46 -0.69 0.20 3.64 -1.92 0.29 116.57 118.58 2qei h LYS 376 Ca 0.33 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 2qei h LYS 376 Cb 0.08 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2qei h LYS 376 CO -0.14 -0.30 0.31 0.45 -2.27 0.00 0.00 179.45 177.50 2qei h HIS 377 N -0.47 1.02 -0.64 1.91 3.86 -1.85 -1.27 115.15 117.72 2qei h HIS 377 Ca 0.04 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2qei h HIS 377 Cb 0.52 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 2qei h HIS 377 CO -0.28 0.78 0.39 0.00 0.86 0.00 0.00 177.93 179.68 2qei h ALA 378 N 1.14 0.81 -0.26 2.45 0.00 -0.70 -0.86 119.26 121.85 2qei h ALA 378 Ca 0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2qei h ALA 378 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2qei h ALA 378 CO -0.03 0.28 -0.04 0.28 0.00 0.00 0.00 179.25 179.74 2qei h VAL 379 N 0.86 1.28 -0.42 0.00 2.07 -0.71 -2.07 116.25 117.27 2qei h VAL 379 Ca 0.23 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2qei h VAL 379 Cb -0.04 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2qei h VAL 379 CO -0.04 0.32 0.16 -0.07 0.02 0.00 0.00 177.57 177.96 2qei h LEU 380 N 0.24 0.58 -0.79 2.57 3.38 -1.03 -1.05 115.31 119.21 2qei h LEU 380 Ca 0.07 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2qei h LEU 380 Cb 0.50 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2qei h LEU 380 CO 0.02 0.60 -0.10 -0.50 0.09 0.00 0.00 178.44 178.56 2qei h TRP 381 N 0.53 0.89 -0.33 1.13 4.06 -1.20 -0.93 115.95 120.11 2qei h TRP 381 Ca 0.14 -0.16 -0.02 0.00 2.06 0.00 0.00 58.89 60.91 2qei h TRP 381 Cb 0.21 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2qei h TRP 381 CO 0.00 0.87 0.14 1.15 -3.56 0.00 0.00 178.44 177.04 2qei h THR 382 N 0.74 1.18 -0.87 1.49 2.02 -1.14 -1.20 112.91 115.13 2qei h THR 382 Ca 0.13 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 2qei h THR 382 Cb 0.59 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2qei h THR 382 CO 0.04 0.19 0.46 0.00 0.37 0.00 0.00 175.52 176.58 2qei h ALA 383 N 0.98 1.12 -0.72 6.16 0.00 -1.02 -1.00 119.26 124.78 2qei h ALA 383 Ca 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2qei h ALA 383 Cb 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2qei h ALA 383 CO -0.01 0.65 0.37 0.00 0.00 0.00 0.00 179.25 180.26 2qei h ALA 384 N 1.25 0.93 -0.42 0.00 0.00 -0.85 0.36 119.26 120.54 2qei h ALA 384 Ca 0.31 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2qei h ALA 384 Cb 0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qei h ALA 384 CO -0.05 0.47 -0.08 0.82 0.00 0.00 0.00 179.25 180.42 2qei h ILE 385 N 1.00 1.27 -0.30 0.00 2.04 -0.82 -0.88 117.51 119.82 2qei h ILE 385 Ca 0.25 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 2qei h ILE 385 Cb 0.09 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2qei h ILE 385 CO -0.03 0.39 -0.13 0.58 0.00 0.00 0.00 178.15 178.95 2qei h VAL 386 N 0.61 1.29 0.23 1.67 2.07 -0.91 -1.80 116.25 119.41 2qei h VAL 386 Ca 0.11 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2qei h VAL 386 Cb 0.60 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2qei h VAL 386 CO 0.04 0.39 -0.14 0.15 0.02 0.00 0.00 177.57 178.03 2qei h PHE 387 N 0.38 -0.36 0.40 1.57 3.57 -0.21 -0.80 116.94 121.49 2qei h PHE 387 Ca 0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2qei h PHE 387 Cb 0.65 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2qei h PHE 387 CO 0.06 -0.22 -0.27 0.35 -2.23 0.00 0.00 178.31 176.00 2qei h PHE 388 N -0.35 -0.72 -0.43 0.41 3.57 -1.18 -2.88 116.94 115.36 2qei h PHE 388 Ca -0.02 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.54 2qei h PHE 388 Cb 0.29 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 2qei h PHE 388 CO -0.09 -0.41 0.29 0.77 -2.23 0.00 0.00 178.31 176.64 2qei h SER 389 N -0.66 0.26 0.17 0.41 0.02 -1.29 -1.77 113.55 110.70 2qei h SER 389 Ca -0.04 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2qei h SER 389 Cb 0.55 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 2qei h SER 389 CO 0.03 0.17 -0.00 0.00 -1.14 0.00 0.00 176.83 175.88 2qei h ALA 390 N 1.77 1.03 0.00 3.77 0.00 -0.91 -1.80 119.26 123.12 2qei h ALA 390 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2qei h ALA 390 Cb 0.37 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qei h ALA 390 CO -0.04 0.00 -0.05 0.45 0.00 0.00 0.00 179.25 179.61 2qei h HIS 391 N 0.00 0.00 -0.29 0.00 -0.00 -1.38 0.03 115.15 113.52 2qei h HIS 391 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 2qei h HIS 391 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 2qei h HIS 391 CO 0.00 0.05 -0.19 1.25 -0.00 0.00 0.00 177.93 179.04 2qei h LEU 392 N 0.00 0.67 -0.79 2.43 5.85 -1.53 -1.96 115.31 119.98 2qei h LEU 392 Ca -0.00 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 2qei h LEU 392 Cb 0.14 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2qei h LEU 392 CO 0.01 0.96 -0.36 0.58 -0.34 0.00 0.00 178.44 179.29 2qei h VAL 393 N 0.38 1.29 0.00 1.05 2.07 -1.37 -1.61 116.25 118.06 2qei h VAL 393 Ca 0.06 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 65.97 2qei h VAL 393 Cb 0.73 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2qei h VAL 393 CO 0.05 0.46 -0.62 0.24 0.02 0.00 0.00 177.57 177.72 2qei h MET 394 N 0.42 0.00 0.00 1.57 2.86 -0.94 -3.38 114.93 115.46 2qei h MET 394 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2qei h MET 394 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2qei h MET 394 CO 0.07 0.62 -1.07 1.19 1.06 0.00 0.00 176.91 178.78 2qei n PHE 395 N -3.66 0.00 -3.73 -0.22 3.72 -0.75 -4.48 117.46 108.34 2qei n PHE 395 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2qei n PHE 395 Cb 0.65 -0.12 -0.12 0.00 -0.94 0.00 0.00 39.48 38.94 2qei n PHE 395 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2qei s LEU 396 N -3.20 4.09 0.24 4.37 2.96 -0.61 -0.49 118.68 126.04 2qei s LEU 396 Ca -0.01 -0.86 -0.31 0.00 -0.22 0.00 0.00 54.13 52.73 2qei s LEU 396 Cb 0.05 -1.90 -0.12 0.00 0.50 0.00 0.00 46.19 44.72 2qei s LEU 396 CO 0.30 -0.25 1.59 -3.20 -1.32 0.00 0.00 176.35 173.47 2qei n ASN 397 N 4.87 3.58 0.00 3.68 5.15 -0.30 -1.93 115.26 130.32 2qei n ASN 397 Ca -0.14 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.96 2qei n ASN 397 Cb 0.47 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 2qei n ASN 397 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qei n LYS 398 N 2.79 0.00 -0.17 1.20 4.76 -1.26 -4.89 118.16 120.59 2qei n LYS 398 Ca 0.12 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.46 2qei n LYS 398 Cb 0.34 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.35 2qei n LYS 398 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2qei h SER 399 N 0.00 0.85 -0.34 4.39 0.87 -1.69 -2.07 113.55 115.55 2qei h SER 399 Ca 0.00 -0.31 0.05 0.00 -1.23 0.00 0.00 61.79 60.30 2qei h SER 399 Cb 0.00 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.68 2qei h SER 399 CO 0.00 0.96 0.04 0.25 -0.53 0.00 0.00 176.83 177.55 2qei h LEU 400 N 0.71 -0.04 -0.82 2.23 6.46 -1.82 -1.32 115.31 120.71 2qei h LEU 400 Ca 0.13 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.99 2qei h LEU 400 Cb 0.53 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.51 2qei h LEU 400 CO 0.03 0.01 0.53 0.44 -0.62 0.00 0.00 178.44 178.83 2qei h ASP 401 N 0.15 0.89 -0.32 1.25 3.45 -1.91 -0.66 116.42 119.27 2qei h ASP 401 Ca 0.16 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 2qei h ASP 401 Cb 0.20 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 2qei h ASP 401 CO -0.24 0.62 0.14 -0.08 -1.57 0.00 0.00 179.24 178.11 2qei h GLU 402 N 1.04 0.47 -0.56 3.56 4.57 -0.76 -1.25 114.58 121.66 2qei h GLU 402 Ca 0.32 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.34 2qei h GLU 402 Cb -0.02 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2qei h GLU 402 CO -0.10 0.46 0.03 0.52 -1.18 0.00 0.00 179.01 178.74 2qei h MET 403 N 0.37 0.96 -0.14 1.92 2.86 -1.00 -1.94 114.93 117.96 2qei h MET 403 Ca 0.11 -0.29 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 2qei h MET 403 Cb 0.15 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2qei h MET 403 CO -0.01 0.95 -0.10 0.22 1.06 0.00 0.00 176.91 179.03 2qei h ASP 404 N 0.85 0.20 0.31 1.22 3.58 -0.96 -1.29 116.42 120.33 2qei h ASP 404 Ca 0.16 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2qei h ASP 404 Cb 0.50 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2qei h ASP 404 CO 0.02 0.33 -0.15 0.15 -2.88 0.00 0.00 179.24 176.71 2qei h PHE 405 N 0.21 -0.39 -0.56 0.28 3.57 -0.87 -1.18 116.94 118.00 2qei h PHE 405 Ca 0.04 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2qei h PHE 405 Cb 0.31 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 2qei h PHE 405 CO 0.00 -0.18 0.27 -1.49 -2.23 0.00 0.00 178.31 174.68 2qei h TRP 406 N -1.08 0.80 0.00 0.41 4.06 -1.34 0.18 115.95 118.98 2qei h TRP 406 Ca -0.04 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 60.85 2qei h TRP 406 Cb 0.39 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 2qei h TRP 406 CO 0.02 0.62 -0.66 0.00 -3.56 0.00 0.00 178.44 174.85 2qei n ALA 407 N -2.32 0.54 0.62 1.49 0.00 -0.49 -0.45 120.51 119.90 2qei n ALA 407 Ca 0.03 -0.49 0.08 0.00 0.00 0.00 0.00 53.44 53.06 2qei n ALA 407 Cb 0.12 -0.02 0.36 0.00 0.00 0.00 0.00 19.45 19.91 2qei n ALA 407 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qei n GLY 408 N 1.58 -0.99 1.18 0.00 0.00 -0.88 -1.94 105.19 104.14 2qei n GLY 408 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2qei n GLY 408 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qei n THR 409 N -1.44 0.11 -0.06 2.61 -1.04 -0.50 -4.70 114.28 109.27 2qei n THR 409 Ca 0.05 0.04 -0.12 0.00 -2.04 0.00 0.00 64.05 61.97 2qei n THR 409 Cb 0.17 -0.89 -0.07 0.00 -1.82 0.00 0.00 70.33 67.73 2qei n THR 409 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2qei h ILE 410 N 0.00 1.31 -0.21 12.58 1.08 -1.13 -3.22 117.51 127.92 2qei h ILE 410 Ca 0.00 -1.13 0.05 0.00 -0.39 0.00 0.00 64.86 63.39 2qei h ILE 410 Cb 0.00 1.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 2qei h ILE 410 CO 0.00 0.33 -0.12 1.23 -0.69 0.00 0.00 178.15 178.90 2qei h GLY 411 N -0.00 0.05 1.18 5.37 0.00 -0.72 -1.57 103.07 107.37 2qei h GLY 411 Ca 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 2qei h GLY 411 CO 0.02 -0.14 0.37 -0.39 0.00 0.00 0.00 176.54 176.41 2qei h VAL 412 N -0.11 1.23 -0.27 4.60 -1.51 -1.48 0.50 116.25 119.21 2qei h VAL 412 Ca 0.12 -0.64 -0.08 0.00 -1.23 0.00 0.00 66.70 64.86 2qei h VAL 412 Cb 0.28 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 2qei h VAL 412 CO -0.28 0.28 -0.16 0.58 -1.23 0.00 0.00 177.57 176.76 2qei h VAL 413 N 1.06 1.30 -0.60 7.19 2.07 -1.51 0.19 116.25 125.95 2qei h VAL 413 Ca 0.26 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2qei h VAL 413 Cb 0.09 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2qei h VAL 413 CO -0.04 0.40 0.34 0.15 0.02 0.00 0.00 177.57 178.44 2qei h PHE 414 N 0.31 0.81 -0.21 1.57 3.57 -1.07 -1.97 116.94 119.95 2qei h PHE 414 Ca 0.06 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.41 2qei h PHE 414 Cb 0.68 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2qei h PHE 414 CO 0.07 0.58 -0.42 0.35 -2.23 0.00 0.00 178.31 176.65 2qei h PHE 415 N 0.81 0.60 -0.49 0.41 3.57 -0.80 -1.03 116.94 120.01 2qei h PHE 415 Ca 0.21 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2qei h PHE 415 Cb 0.03 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 2qei h PHE 415 CO -0.01 0.85 0.31 0.78 -2.23 0.00 0.00 178.31 178.00 2qei h GLY 416 N 1.09 0.70 1.00 2.40 0.00 -0.63 0.10 103.07 107.74 2qei h GLY 416 Ca 0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 2qei h GLY 416 CO 0.08 0.27 0.08 -2.00 0.00 0.00 0.00 176.54 174.97 2qei h LEU 417 N 0.66 0.84 0.18 3.11 5.85 -1.19 -2.14 115.31 122.61 2qei h LEU 417 Ca 0.18 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2qei h LEU 417 Cb -0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2qei h LEU 417 CO -0.04 0.89 -0.12 0.74 -0.34 0.00 0.00 178.44 179.57 2qei h THR 418 N 0.76 0.73 -0.65 1.05 2.02 -0.74 -0.58 112.91 115.50 2qei h THR 418 Ca 0.16 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 2qei h THR 418 Cb 0.41 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2qei h THR 418 CO 0.01 0.00 0.30 1.05 0.37 0.00 0.00 175.52 177.25 2qei h GLU 419 N -0.30 0.92 -0.34 6.66 4.11 -0.77 -1.31 114.58 123.55 2qei h GLU 419 Ca -0.01 -0.12 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 2qei h GLU 419 Cb 0.26 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2qei h GLU 419 CO 0.00 0.71 0.05 1.25 0.07 0.00 0.00 179.01 181.10 2qei h LEU 420 N 0.91 0.55 -0.28 3.06 6.46 -1.08 -0.79 115.31 124.15 2qei h LEU 420 Ca 0.22 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2qei h LEU 420 Cb 0.10 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2qei h LEU 420 CO -0.03 0.67 0.17 0.40 -0.62 0.00 0.00 178.44 179.03 2qei h ILE 421 N 0.40 1.09 -0.52 4.05 2.04 -0.76 0.36 117.51 124.17 2qei h ILE 421 Ca 0.10 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2qei h ILE 421 Cb 0.36 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2qei h ILE 421 CO 0.01 0.09 0.16 0.40 0.00 0.00 0.00 178.15 178.81 2qei h ILE 422 N 0.35 1.23 0.03 -0.67 2.04 -1.16 0.79 117.51 120.12 2qei h ILE 422 Ca 0.10 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.11 2qei h ILE 422 Cb 0.00 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2qei h ILE 422 CO -0.02 0.29 -0.28 0.15 0.00 0.00 0.00 178.15 178.29 2qei h PHE 423 N 0.71 0.23 0.00 1.37 3.57 -0.98 0.16 116.94 122.00 2qei h PHE 423 Ca 0.17 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2qei h PHE 423 Cb 0.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2qei h PHE 423 CO 0.02 1.02 -0.86 1.19 -2.23 0.00 0.00 178.31 177.45 2qei n PHE 424 N -4.47 0.37 -0.06 0.41 3.01 0.12 -3.26 117.46 113.59 2qei n PHE 424 Ca -0.11 0.11 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 2qei n PHE 424 Cb 0.55 -0.52 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 2qei n PHE 424 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 2qei n TRP 425 N -2.01 0.00 -0.08 1.38 7.02 0.13 -2.07 117.44 121.81 2qei n TRP 425 Ca 0.03 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.34 2qei n TRP 425 Cb 0.43 -0.41 -0.12 0.00 -2.42 0.00 0.00 31.31 28.80 2qei n TRP 425 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 2qei h ILE 426 N -0.26 1.39 -0.77 -0.99 2.04 -1.11 -3.36 117.51 114.46 2qei h ILE 426 Ca -0.27 -2.24 -0.05 0.00 1.00 0.00 0.00 64.86 63.30 2qei h ILE 426 Cb 1.30 2.82 -0.03 0.00 -0.74 0.00 0.00 36.82 40.17 2qei h ILE 426 CO -0.13 0.47 0.27 0.15 0.00 0.00 0.00 178.15 178.91 2qei h PHE 427 N -1.00 1.21 0.00 1.37 3.57 -0.80 -3.48 116.94 117.80 2qei h PHE 427 Ca -0.14 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2qei h PHE 427 Cb 1.09 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2qei h PHE 427 CO 0.20 0.94 0.00 0.41 -2.23 0.00 0.00 178.31 177.62 2qei n GLY 428 N -0.81 3.31 0.21 2.40 0.00 -1.20 -4.82 105.19 104.28 2qei n GLY 428 Ca 0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 2qei n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qei h ALA 429 N 0.00 0.58 -0.42 4.61 0.00 -1.64 0.31 119.26 122.69 2qei h ALA 429 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2qei h ALA 429 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2qei h ALA 429 CO 0.00 -0.33 -0.19 -0.44 0.00 0.00 0.00 179.25 178.29 2qei h ASP 430 N 0.21 0.84 -0.50 0.00 3.32 -1.94 0.12 116.42 118.46 2qei h ASP 430 Ca 0.27 -0.29 -0.12 0.00 0.02 0.00 0.00 57.03 56.91 2qei h ASP 430 Cb 0.38 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2qei h ASP 430 CO -0.37 1.01 -0.15 0.11 -1.72 0.00 0.00 179.24 178.12 2qei h LYS 431 N 0.73 0.99 -0.11 3.56 1.57 -1.71 -0.92 116.57 120.69 2qei h LYS 431 Ca 0.11 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.48 2qei h LYS 431 Cb 0.71 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2qei h LYS 431 CO 0.05 1.06 -0.01 0.00 -0.57 0.00 0.00 179.45 179.99 2qei h ALA 432 N 0.94 0.15 -0.50 3.86 0.00 -0.15 0.24 119.26 123.80 2qei h ALA 432 Ca 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2qei h ALA 432 Cb 0.72 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2qei h ALA 432 CO 0.05 -0.15 0.28 2.35 0.00 0.00 0.00 179.25 181.79 2qei h TRP 433 N -0.09 0.51 -0.43 0.00 2.91 -0.73 0.33 115.95 118.45 2qei h TRP 433 Ca 0.03 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 2qei h TRP 433 Cb 0.38 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.86 2qei h TRP 433 CO 0.04 0.27 0.26 1.49 -1.03 0.00 0.00 178.44 179.47 2qei h GLU 434 N 0.55 0.58 -0.76 2.65 4.57 -1.06 -2.43 114.58 118.67 2qei h GLU 434 Ca 0.21 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2qei h GLU 434 Cb 0.08 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 2qei h GLU 434 CO -0.12 0.43 0.40 1.49 -1.18 0.00 0.00 179.01 180.03 2qei h GLU 435 N 0.57 1.06 -0.18 1.92 4.57 -0.06 -1.22 114.58 121.24 2qei h GLU 435 Ca 0.15 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2qei h GLU 435 Cb -0.00 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2qei h GLU 435 CO -0.03 0.79 -0.00 0.82 -1.18 0.00 0.00 179.01 179.41 2qei h ILE 436 N 1.07 1.25 0.00 2.32 2.04 -0.77 -3.25 117.51 120.17 2qei h ILE 436 Ca 0.27 -0.86 -0.07 0.00 1.00 0.00 0.00 64.86 65.20 2qei h ILE 436 Cb 0.05 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2qei h ILE 436 CO -0.04 0.26 -0.33 0.78 0.00 0.00 0.00 178.15 178.82 2qei h ASN 437 N 0.08 0.00 -1.78 1.72 2.35 -1.28 -3.41 115.58 113.25 2qei h ASN 437 Ca 0.05 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.12 2qei h ASN 437 Cb 0.39 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.78 2qei h ASN 437 CO 0.01 0.33 0.91 -1.14 -1.65 0.00 0.00 177.43 175.89 2qei n ARG 438 N -3.38 1.58 -0.96 0.81 0.63 -0.48 -0.41 116.66 114.46 2qei n ARG 438 Ca 0.01 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 2qei n ARG 438 Cb 0.53 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.13 2qei n ARG 438 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qei n GLY 439 N 4.00 0.66 3.73 5.14 0.00 -1.26 -4.76 105.19 112.71 2qei n GLY 439 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2qei n GLY 439 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qei s GLY 440 N -2.00 2.10 0.50 -0.02 0.00 0.45 -3.31 107.32 105.04 2qei s GLY 440 Ca 0.00 1.29 0.27 0.00 0.00 0.00 0.00 44.72 46.28 2qei s GLY 440 CO 0.00 2.36 2.02 -2.22 0.00 0.00 0.00 173.10 175.26 2qei h ILE 441 N 3.77 0.57 -4.20 0.90 2.04 -1.94 -3.43 117.51 115.22 2qei h ILE 441 Ca -0.44 -0.66 -0.13 0.00 1.00 0.00 0.00 64.86 64.62 2qei h ILE 441 Cb 1.21 1.43 -0.15 0.00 -0.74 0.00 0.00 36.82 38.57 2qei h ILE 441 CO 0.82 0.14 -0.68 0.27 0.00 0.00 0.00 178.15 178.70 2qei s ILE 442 N -4.08 0.24 0.21 -0.67 -4.36 -1.26 -5.05 121.20 106.23 2qei s ILE 442 Ca -0.02 -1.76 -0.03 0.00 -0.26 0.00 0.00 60.65 58.58 2qei s ILE 442 Cb 0.13 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.34 2qei s ILE 442 CO 0.60 -0.96 0.42 -0.54 0.24 0.00 0.00 174.94 174.70 2qei s LYS 443 N -3.76 3.57 0.09 0.37 1.02 -1.26 -4.70 119.74 115.08 2qei s LYS 443 Ca 0.06 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 2qei s LYS 443 Cb 0.07 -2.80 -0.06 0.00 -0.52 0.00 0.00 37.83 34.52 2qei s LYS 443 CO -0.09 0.37 1.06 0.08 -0.92 0.00 0.00 175.35 175.86 2qei s VAL 444 N -1.87 4.28 0.20 3.17 1.01 -1.26 -4.95 120.40 120.99 2qei s VAL 444 Ca 0.40 1.79 -0.31 0.00 0.00 0.00 0.00 61.98 63.86 2qei s VAL 444 Cb -0.11 -4.14 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 2qei s VAL 444 CO 0.28 0.22 1.04 -2.65 0.00 0.00 0.00 175.10 173.99 2qei n PRO 445 N 3.18 1.04 -0.27 2.72 -0.02 -1.26 -4.84 135.00 135.54 2qei n PRO 445 Ca 0.05 0.37 0.07 0.00 -2.02 0.00 0.00 63.50 61.96 2qei n PRO 445 Cb 0.48 -1.77 0.19 0.00 -0.02 0.00 0.00 33.50 32.38 2qei n PRO 445 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qei h ARG 446 N 2.67 0.11 -0.77 -0.52 9.65 -2.04 -1.43 114.38 122.05 2qei h ARG 446 Ca -0.41 -0.01 0.13 0.00 -1.10 0.00 0.00 59.98 58.59 2qei h ARG 446 Cb 1.36 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.86 2qei h ARG 446 CO 0.66 0.07 0.51 0.97 2.80 0.00 0.00 179.97 184.98 2qei h ILE 447 N 0.11 0.86 0.00 1.20 6.09 -2.03 -2.17 117.51 121.58 2qei h ILE 447 Ca 0.45 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 2qei h ILE 447 Cb 0.82 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.35 2qei h ILE 447 CO -0.69 0.10 0.00 1.88 -3.07 0.00 0.00 178.15 176.37 2qei h TYR 448 N 0.57 0.00 -0.47 2.19 -1.99 -1.60 -1.72 116.97 113.95 2qei h TYR 448 Ca 0.37 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.05 2qei h TYR 448 Cb 0.66 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.37 2qei h TYR 448 CO -0.00 0.00 0.10 -0.92 -0.00 0.00 0.00 178.16 177.34 2qei h TYR 449 N 0.00 0.81 0.00 4.88 3.20 -1.53 -0.27 116.97 124.05 2qei h TYR 449 Ca 0.00 -0.10 -0.10 0.00 3.14 0.00 0.00 58.73 61.67 2qei h TYR 449 Cb 0.08 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2qei h TYR 449 CO 0.00 0.74 -0.45 1.88 -1.64 0.00 0.00 178.16 178.69 2qei h TYR 450 N 0.64 0.00 -0.09 -3.82 0.05 -1.50 -1.66 116.97 110.59 2qei h TYR 450 Ca 0.15 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.87 2qei h TYR 450 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2qei h TYR 450 CO 0.02 0.45 -0.18 0.28 -1.05 0.00 0.00 178.16 177.69 2qei h VAL 451 N 0.00 1.40 -0.55 -2.88 2.07 -1.18 -1.40 116.25 113.70 2qei h VAL 451 Ca -0.00 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 2qei h VAL 451 Cb 1.12 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2qei h VAL 451 CO 0.06 0.42 0.01 0.24 0.02 0.00 0.00 177.57 178.32 2qei h MET 452 N -0.18 0.96 0.06 1.57 2.86 -1.02 0.43 114.93 119.60 2qei h MET 452 Ca 0.00 -0.30 -0.24 0.00 -2.06 0.00 0.00 59.70 57.10 2qei h MET 452 Cb 0.76 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.33 2qei h MET 452 CO 0.04 0.96 -1.06 -0.09 1.06 0.00 0.00 176.91 177.82 2qei h ARG 453 N 0.84 0.32 0.00 1.72 2.43 -1.36 -3.40 114.38 114.93 2qei h ARG 453 Ca 0.16 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 2qei h ARG 453 Cb 0.52 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2qei h ARG 453 CO 0.03 1.13 -0.85 0.66 -1.51 0.00 0.00 179.97 179.43 2qei n TYR 454 N -3.65 0.00 0.40 2.20 4.01 -0.55 -4.80 117.16 114.78 2qei n TYR 454 Ca -0.07 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.50 2qei n TYR 454 Cb 0.91 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.83 2qei n TYR 454 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2qei h ILE 455 N -0.04 0.10 -0.01 -0.72 1.08 -1.15 -2.77 117.51 114.00 2qei h ILE 455 Ca -0.02 -0.20 0.03 0.00 -0.39 0.00 0.00 64.86 64.29 2qei h ILE 455 Cb 0.83 0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 34.65 2qei h ILE 455 CO -0.01 0.01 -0.32 0.74 -0.69 0.00 0.00 178.15 177.87 2qei h THR 456 N -1.21 0.30 -0.58 -0.27 2.02 -0.38 0.13 112.91 112.92 2qei h THR 456 Ca -0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.09 2qei h THR 456 Cb 0.81 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2qei h THR 456 CO 0.17 0.00 0.36 1.55 0.37 0.00 0.00 175.52 177.98 2qei h PRO 457 N -0.47 0.70 -0.85 6.66 0.13 -1.78 -0.31 132.00 136.08 2qei h PRO 457 Ca 0.06 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 2qei h PRO 457 Cb 0.56 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.49 2qei h PRO 457 CO -0.27 0.46 0.46 0.00 -0.23 0.00 0.00 178.00 178.42 2qei h ALA 458 N 1.24 1.10 -0.13 -0.56 0.00 -1.19 0.29 119.26 120.00 2qei h ALA 458 Ca 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qei h ALA 458 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2qei h ALA 458 CO -0.08 0.61 0.07 0.35 0.00 0.00 0.00 179.25 180.20 2qei h PHE 459 N 1.19 0.19 -0.39 0.00 3.57 -0.25 -1.81 116.94 119.45 2qei h PHE 459 Ca 0.30 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.64 2qei h PHE 459 Cb 0.04 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2qei h PHE 459 CO 0.01 0.21 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.87 2qei h LEU 460 N 0.10 0.97 -0.26 0.59 3.38 -0.76 -2.31 115.31 117.02 2qei h LEU 460 Ca 0.05 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.61 2qei h LEU 460 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2qei h LEU 460 CO -0.01 1.22 0.11 0.00 0.09 0.00 0.00 178.44 179.85 2qei h ALA 461 N 0.83 0.31 -0.02 1.53 0.00 -0.33 -0.12 119.26 121.45 2qei h ALA 461 Ca 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qei h ALA 461 Cb 0.94 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qei h ALA 461 CO 0.09 -0.29 0.01 0.28 0.00 0.00 0.00 179.25 179.34 2qei h VAL 462 N 0.24 1.04 -0.32 0.00 2.07 -1.31 -1.63 116.25 116.34 2qei h VAL 462 Ca 0.11 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.60 2qei h VAL 462 Cb 0.06 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 2qei h VAL 462 CO -0.09 0.03 -0.28 0.25 0.02 0.00 0.00 177.57 177.49 2qei h LEU 463 N -0.01 -0.93 -0.77 2.57 5.85 -1.03 0.05 115.31 121.05 2qei h LEU 463 Ca 0.01 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2qei h LEU 463 Cb 0.03 0.44 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2qei h LEU 463 CO -0.00 -0.30 0.50 -0.07 -0.34 0.00 0.00 178.44 178.22 2qei h LEU 464 N -0.26 0.84 0.72 2.25 3.38 -0.88 0.50 115.31 121.85 2qei h LEU 464 Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2qei h LEU 464 Cb 0.51 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qei h LEU 464 CO -0.46 0.59 -0.35 0.58 0.09 0.00 0.00 178.44 178.88 2qei h VAL 465 N 0.99 0.28 -0.88 1.22 2.07 -0.30 -0.35 116.25 119.28 2qei h VAL 465 Ca 0.30 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.91 2qei h VAL 465 Cb -0.04 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 2qei h VAL 465 CO -0.09 0.00 0.57 0.58 0.02 0.00 0.00 177.57 178.65 2qei h VAL 466 N -0.98 0.97 0.86 2.57 2.07 -0.89 -1.74 116.25 119.11 2qei h VAL 466 Ca -0.10 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2qei h VAL 466 Cb 0.75 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2qei h VAL 466 CO 0.16 0.16 -0.41 -0.25 0.02 0.00 0.00 177.57 177.24 2qei h TRP 467 N 0.87 -1.07 0.00 1.57 2.91 -0.52 -0.80 115.95 118.90 2qei h TRP 467 Ca 0.40 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.39 2qei h TRP 467 Cb 0.39 0.35 -0.00 0.00 -0.51 0.00 0.00 29.16 29.40 2qei h TRP 467 CO -0.00 -0.66 -0.04 0.00 -1.03 0.00 0.00 178.44 176.70 2qei h ALA 468 N -1.05 1.07 0.02 2.65 0.00 -0.82 -0.81 119.26 120.32 2qei h ALA 468 Ca -0.12 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 2qei h ALA 468 Cb 0.89 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2qei h ALA 468 CO 0.19 0.05 -1.99 0.54 0.00 0.00 0.00 179.25 178.05 2qei n ARG 469 N -3.24 0.67 -0.01 0.00 1.74 -0.68 -4.19 116.66 110.94 2qei n ARG 469 Ca -0.01 0.20 0.05 0.00 -0.77 0.00 0.00 57.85 57.32 2qei n ARG 469 Cb 0.22 -1.69 0.05 0.00 -1.02 0.00 0.00 32.46 30.02 2qei n ARG 469 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2qei n GLU 470 N -3.05 0.52 0.00 5.56 -0.58 -0.32 -4.83 120.64 117.95 2qei n GLU 470 Ca -0.26 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.35 2qei n GLU 470 Cb 1.07 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.76 2qei n GLU 470 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2qei n TYR 471 N 0.51 0.00 -0.19 -0.32 4.01 -0.35 -4.90 117.16 115.92 2qei n TYR 471 Ca 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.77 2qei n TYR 471 Cb 0.25 0.35 0.07 0.00 -0.31 0.00 0.00 39.34 39.70 2qei n TYR 471 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 2qei h ILE 472 N 0.00 0.93 -0.95 -0.72 2.04 -1.64 -2.72 117.51 114.45 2qei h ILE 472 Ca 0.00 -0.19 0.17 0.00 1.00 0.00 0.00 64.86 65.84 2qei h ILE 472 Cb 0.17 0.34 -0.10 0.00 -0.74 0.00 0.00 36.82 36.48 2qei h ILE 472 CO 0.00 0.10 0.55 -0.65 0.00 0.00 0.00 178.15 178.15 2qei h PRO 473 N 0.55 0.71 0.00 2.37 0.11 -1.87 0.23 132.00 134.11 2qei h PRO 473 Ca 0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2qei h PRO 473 Cb 0.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2qei h PRO 473 CO -0.19 0.47 0.00 1.17 -0.21 0.00 0.00 178.00 179.25 2qei n LYS 474 N -4.79 0.26 -0.04 1.05 4.81 -1.02 -2.84 118.16 115.59 2qei n LYS 474 Ca 0.21 0.06 -0.06 0.00 -0.87 0.00 0.00 58.31 57.65 2qei n LYS 474 Cb 0.51 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.03 2qei n LYS 474 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2qei n ILE 475 N -1.08 0.41 0.31 3.15 5.41 0.71 -3.69 119.36 124.57 2qei n ILE 475 Ca 0.07 -0.14 0.02 0.00 1.00 0.00 0.00 62.75 63.70 2qei n ILE 475 Cb 0.05 -1.05 0.13 0.00 -0.71 0.00 0.00 39.64 38.06 2qei n ILE 475 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2qei n MET 476 N -2.93 0.15 0.00 0.38 2.81 -0.58 -2.58 117.12 114.38 2qei n MET 476 Ca -0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.76 2qei n MET 476 Cb 0.62 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 2qei n MET 476 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2qei n GLU 477 N -0.94 1.64 -1.99 0.03 2.13 -1.20 -4.91 120.64 115.39 2qei n GLU 477 Ca 0.03 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.55 2qei n GLU 477 Cb 0.02 -0.14 0.03 0.00 0.27 0.00 0.00 31.44 31.62 2qei n GLU 477 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2qei n GLU 478 N 0.00 3.22 -4.17 5.31 4.07 -1.07 -5.01 120.64 122.99 2qei n GLU 478 Ca 0.00 -3.96 -0.11 0.00 -0.06 0.00 0.00 57.16 53.03 2qei n GLU 478 Cb 0.00 -2.27 -0.10 0.00 -0.06 0.00 0.00 31.44 29.01 2qei n GLU 478 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2qei s THR 479 N -5.00 0.68 0.59 6.31 -4.23 -1.25 -4.87 115.64 107.88 2qei s THR 479 Ca 0.53 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.93 2qei s THR 479 Cb 0.43 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 2qei s THR 479 CO -0.12 -0.87 1.30 -2.28 -0.54 0.00 0.00 174.62 172.12 2qei s HIS 480 N -3.58 2.24 0.58 3.99 2.46 -1.26 -4.87 115.29 114.85 2qei s HIS 480 Ca 0.11 1.44 0.28 0.00 0.47 0.00 0.00 55.06 57.36 2qei s HIS 480 Cb 0.05 -3.70 1.61 0.00 -0.13 0.00 0.00 32.58 30.41 2qei s HIS 480 CO -0.05 -2.77 2.09 0.11 -2.47 0.00 0.00 174.74 171.65 2qei h TRP 481 N 1.03 0.00 0.00 3.88 5.08 -2.00 -1.97 115.95 121.97 2qei h TRP 481 Ca -0.51 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.46 2qei h TRP 481 Cb 1.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 2qei h TRP 481 CO 0.44 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 177.85 2qei n THR 482 N -3.88 1.30 0.24 0.12 -2.24 -1.26 -1.74 114.28 106.82 2qei n THR 482 Ca 0.02 0.49 0.08 0.00 -2.27 0.00 0.00 64.05 62.37 2qei n THR 482 Cb 0.35 -1.43 0.59 0.00 -2.10 0.00 0.00 70.33 67.73 2qei n THR 482 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2qei h VAL 483 N 0.00 0.90 0.00 2.28 -1.51 -1.71 -1.91 116.25 114.29 2qei h VAL 483 Ca 0.00 -0.65 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 2qei h VAL 483 Cb 0.11 1.38 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2qei h VAL 483 CO 0.00 0.17 -0.09 -0.50 -1.23 0.00 0.00 177.57 175.92 2qei h TRP 484 N 0.00 0.00 -0.11 5.19 4.06 -1.57 -1.33 115.95 122.19 2qei h TRP 484 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 2qei h TRP 484 Cb 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2qei h TRP 484 CO 0.00 0.09 -0.04 0.82 -3.56 0.00 0.00 178.44 175.75 2qei h ILE 485 N 0.00 1.30 -0.42 1.49 2.04 -1.52 -0.17 117.51 120.23 2qei h ILE 485 Ca -0.00 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.76 2qei h ILE 485 Cb 0.45 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 2qei h ILE 485 CO 0.01 0.29 -0.09 0.74 0.00 0.00 0.00 178.15 179.10 2qei h THR 486 N -0.12 1.27 -0.43 -0.27 2.02 -1.56 -1.59 112.91 112.24 2qei h THR 486 Ca 0.03 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.03 2qei h THR 486 Cb 0.47 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2qei h THR 486 CO 0.01 0.40 0.27 0.03 0.37 0.00 0.00 175.52 176.60 2qei h ARG 487 N 0.63 0.53 -0.18 6.66 3.08 -1.23 -0.44 114.38 123.42 2qei h ARG 487 Ca 0.11 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2qei h ARG 487 Cb 0.62 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2qei h ARG 487 CO 0.04 0.35 0.00 0.35 -1.07 0.00 0.00 179.97 179.64 2qei h PHE 488 N 0.55 -0.01 -0.22 3.04 3.57 -0.90 -1.14 116.94 121.83 2qei h PHE 488 Ca 0.16 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2qei h PHE 488 Cb -0.03 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2qei h PHE 488 CO -0.06 -0.02 0.12 -0.92 -2.23 0.00 0.00 178.31 175.20 2qei h TYR 489 N 0.06 0.30 0.00 0.41 3.20 -0.85 -1.32 116.97 118.77 2qei h TYR 489 Ca 0.09 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2qei h TYR 489 Cb 0.10 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2qei h TYR 489 CO -0.17 0.26 -0.27 -0.84 -1.64 0.00 0.00 178.16 175.50 2qei h ILE 490 N 0.25 0.66 -0.28 1.81 3.07 -0.98 -0.66 117.51 121.38 2qei h ILE 490 Ca 0.08 -1.24 -0.15 0.00 1.55 0.00 0.00 64.86 65.10 2qei h ILE 490 Cb 0.06 1.81 -0.01 0.00 -0.27 0.00 0.00 36.82 38.41 2qei h ILE 490 CO -0.01 0.27 -0.42 0.40 -1.05 0.00 0.00 178.15 177.34 2qei h ILE 491 N 0.00 1.29 -0.73 0.16 2.04 -0.95 -1.84 117.51 117.49 2qei h ILE 491 Ca -0.00 -1.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 2qei h ILE 491 Cb 0.79 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 2qei h ILE 491 CO 0.04 0.51 0.31 1.23 0.00 0.00 0.00 178.15 180.24 2qei h GLY 492 N 0.97 1.13 1.13 5.37 0.00 -0.43 -1.07 103.07 110.17 2qei h GLY 492 Ca 0.04 -0.58 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 2qei h GLY 492 CO 0.09 0.55 0.42 1.41 0.00 0.00 0.00 176.54 179.01 2qei h LEU 493 N 1.04 1.02 -0.53 3.11 3.38 -0.72 -0.29 115.31 122.32 2qei h LEU 493 Ca 0.25 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2qei h LEU 493 Cb 0.16 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2qei h LEU 493 CO -0.03 0.84 0.14 0.15 0.09 0.00 0.00 178.44 179.64 2qei h PHE 494 N 1.14 0.88 -0.65 1.13 3.57 -0.50 -1.30 116.94 121.21 2qei h PHE 494 Ca 0.28 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2qei h PHE 494 Cb 0.06 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 2qei h PHE 494 CO 0.01 0.77 0.40 1.25 -2.23 0.00 0.00 178.31 178.50 2qei h LEU 495 N 0.75 0.78 -0.56 0.59 7.12 -0.66 -0.43 115.31 122.91 2qei h LEU 495 Ca 0.17 -0.06 -0.04 0.00 0.13 0.00 0.00 57.88 58.08 2qei h LEU 495 Cb 0.32 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 2qei h LEU 495 CO -0.00 0.61 0.21 0.15 -0.13 0.00 0.00 178.44 179.28 2qei h PHE 496 N 0.89 0.86 -0.37 1.25 3.57 -0.84 -1.21 116.94 121.10 2qei h PHE 496 Ca 0.23 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 2qei h PHE 496 Cb -0.03 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 2qei h PHE 496 CO -0.02 0.71 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.54 2qei h LEU 497 N 0.77 0.68 -0.74 0.59 3.38 -0.93 -1.56 115.31 117.50 2qei h LEU 497 Ca 0.18 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2qei h LEU 497 Cb 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2qei h LEU 497 CO -0.01 0.85 0.11 0.74 0.09 0.00 0.00 178.44 180.22 2qei h THR 498 N 0.61 1.26 -0.77 0.22 2.02 -0.80 -1.39 112.91 114.06 2qei h THR 498 Ca 0.10 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 2qei h THR 498 Cb 0.62 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2qei h THR 498 CO 0.04 0.38 0.39 0.15 0.37 0.00 0.00 175.52 176.85 2qei h PHE 499 N 1.00 1.07 -0.32 3.16 3.57 -0.66 -0.74 116.94 124.03 2qei h PHE 499 Ca 0.20 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 2qei h PHE 499 Cb 0.42 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2qei h PHE 499 CO 0.03 0.77 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.61 2qei h LEU 500 N 1.08 0.60 -0.74 0.59 3.38 -0.74 -0.83 115.31 118.64 2qei h LEU 500 Ca 0.27 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 2qei h LEU 500 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qei h LEU 500 CO -0.04 0.80 -0.27 0.58 0.09 0.00 0.00 178.44 179.61 2qei h VAL 501 N 0.53 1.28 -0.51 1.22 2.07 -0.68 -0.29 116.25 119.86 2qei h VAL 501 Ca 0.08 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 2qei h VAL 501 Cb 0.64 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2qei h VAL 501 CO 0.05 0.45 0.25 0.15 0.02 0.00 0.00 177.57 178.49 2qei h PHE 502 N 0.58 0.73 -0.58 1.57 3.57 -0.68 -0.88 116.94 121.25 2qei h PHE 502 Ca 0.08 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2qei h PHE 502 Cb 0.76 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 2qei h PHE 502 CO 0.03 0.56 0.04 -0.07 -2.23 0.00 0.00 178.31 176.65 2qei h LEU 503 N 0.68 0.97 -1.29 0.59 3.38 -0.79 -1.59 115.31 117.25 2qei h LEU 503 Ca 0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2qei h LEU 503 Cb 0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2qei h LEU 503 CO -0.02 1.01 0.26 0.00 0.09 0.00 0.00 178.44 179.78 2qei h ALA 504 N 0.99 1.45 -0.37 1.53 0.00 -0.81 0.30 119.26 122.35 2qei h ALA 504 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qei h ALA 504 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2qei h ALA 504 CO 0.02 0.44 0.16 1.49 0.00 0.00 0.00 179.25 181.36 2qei h GLU 505 N 0.76 0.55 -0.38 0.00 4.81 -0.69 -1.59 114.58 118.04 2qei h GLU 505 Ca 0.19 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 2qei h GLU 505 Cb 0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 2qei h GLU 505 CO -0.03 0.52 -0.38 0.00 -0.73 0.00 0.00 179.01 178.39 2qei h ARG 506 N 0.45 0.93 -0.90 1.92 2.47 -0.64 -2.41 114.38 116.19 2qei h ARG 506 Ca 0.12 -0.49 -0.02 0.00 -1.26 0.00 0.00 59.98 58.34 2qei h ARG 506 Cb 0.17 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 2qei h ARG 506 CO -0.01 1.15 0.50 -0.09 0.56 0.00 0.00 179.97 182.07 2qei h ARG 507 N 0.74 1.26 0.14 0.04 2.43 -0.87 -0.36 114.38 117.76 2qei h ARG 507 Ca 0.06 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2qei h ARG 507 Cb 0.98 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2qei h ARG 507 CO 0.09 0.92 -0.07 -0.09 -1.51 0.00 0.00 179.97 179.31 2qei h ARG 508 N 1.26 -0.19 -0.61 0.20 2.43 -1.14 -0.45 114.38 115.87 2qei h ARG 508 Ca 0.32 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 2qei h ARG 508 Cb 0.02 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2qei h ARG 508 CO -0.05 -0.13 0.08 -0.91 -1.51 0.00 0.00 179.97 177.45 2qei h ASN 509 N -0.20 0.99 0.23 -3.80 2.35 -1.19 0.12 115.58 114.08 2qei h ASN 509 Ca -0.02 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 2qei h ASN 509 Cb 0.16 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2qei h ASN 509 CO 0.03 1.00 -0.24 0.45 -1.65 0.00 0.00 177.43 177.02 2qei h HIS 510 N 0.93 0.03 0.03 1.19 3.86 -0.94 0.14 115.15 120.39 2qei h HIS 510 Ca 0.18 -0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.14 2qei h HIS 510 Cb 0.45 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 2qei h HIS 510 CO 0.03 0.26 -1.26 1.05 0.86 0.00 0.00 177.93 178.88 2qei h GLU 511 N 0.02 0.07 -0.06 2.45 -0.00 -0.69 -3.14 114.58 113.25 2qei h GLU 511 Ca 0.00 -0.13 -0.17 0.00 -0.00 0.00 0.00 59.36 59.07 2qei h GLU 511 Cb 0.44 0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.23 2qei h GLU 511 CO 0.03 0.94 -0.71 0.77 -0.00 0.00 0.00 179.01 180.04 2qei h SER 512 N 0.02 0.35 0.16 3.06 0.02 -0.26 -2.99 113.55 113.91 2qei h SER 512 Ca -0.12 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.50 2qei h SER 512 Cb 1.88 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.31 2qei h SER 512 CO 0.13 0.95 -0.37 0.00 -1.14 0.00 0.00 176.83 176.40 2qei h ALA 513 N 1.04 1.11 0.00 3.77 0.00 -1.06 -1.94 119.26 122.18 2qei h ALA 513 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qei h ALA 513 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qei h ALA 513 CO 0.11 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2qei n GLY 514 N -0.24 -1.03 0.01 0.00 0.00 -1.14 -2.67 105.19 100.13 2qei n GLY 514 Ca -0.01 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.95 2qei n GLY 514 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qei n THR 515 N -1.13 0.00 -0.24 2.61 -1.04 -0.75 -5.09 114.28 108.63 2qei n THR 515 Ca 0.17 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2qei n THR 515 Cb 0.15 0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 2qei n THR 515 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61