#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqe s VAL 4 N 0.00 3.57 0.20 0.00 0.11 -1.26 -4.76 120.40 118.26 1xqe s VAL 4 Ca 0.00 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 1xqe s VAL 4 Cb 0.00 -2.45 -0.08 0.00 -1.53 0.00 0.00 36.38 32.32 1xqe s VAL 4 CO 0.00 0.60 1.14 0.00 -3.33 0.00 0.00 175.10 173.50 1xqe s ALA 5 N -0.77 3.40 -0.23 1.54 0.00 -1.26 -4.78 121.76 119.66 1xqe s ALA 5 Ca 0.12 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.79 1xqe s ALA 5 Cb -0.11 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1xqe s ALA 5 CO 0.01 -0.27 0.48 0.34 0.00 0.00 0.00 175.76 176.33 1xqe s ASP 6 N -0.18 6.45 0.44 0.00 -1.08 0.18 -4.98 116.67 117.50 1xqe s ASP 6 Ca 0.50 0.54 0.15 0.00 -0.52 0.00 0.00 52.55 53.22 1xqe s ASP 6 Cb -0.31 -2.27 0.99 0.00 -1.46 0.00 0.00 42.92 39.87 1xqe s ASP 6 CO 0.37 -0.21 1.97 0.11 0.52 0.00 0.00 175.17 177.93 1xqe h LYS 7 N 7.76 0.00 -0.48 4.34 1.57 -1.95 0.00 116.57 127.81 1xqe h LYS 7 Ca -0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1xqe h LYS 7 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1xqe h LYS 7 CO 0.71 0.21 0.17 0.00 -0.57 0.00 0.00 179.45 179.97 1xqe h ALA 8 N 1.79 0.62 -0.25 3.86 0.00 -1.95 0.28 119.26 123.61 1xqe h ALA 8 Ca -0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 1xqe h ALA 8 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xqe h ALA 8 CO 0.03 0.26 -0.49 -0.44 0.00 0.00 0.00 179.25 178.60 1xqe h ASP 9 N 0.63 0.76 0.01 0.00 3.32 -1.71 -1.67 116.42 117.76 1xqe h ASP 9 Ca 0.16 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 56.86 1xqe h ASP 9 Cb 0.24 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1xqe h ASP 9 CO -0.01 1.12 -0.29 0.78 -1.72 0.00 0.00 179.24 179.12 1xqe h ASN 10 N 0.55 -0.86 -0.04 6.45 2.35 -0.85 -0.24 115.58 122.94 1xqe h ASN 10 Ca 0.03 0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1xqe h ASN 10 Cb 1.05 0.35 -0.03 0.00 0.05 0.00 0.00 38.32 39.74 1xqe h ASN 10 CO 0.10 -0.36 -0.10 0.00 -1.65 0.00 0.00 177.43 175.42 1xqe h ALA 11 N 0.33 -0.08 -0.64 -0.83 0.00 -0.89 -0.81 119.26 116.34 1xqe h ALA 11 Ca 0.06 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1xqe h ALA 11 Cb 0.52 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1xqe h ALA 11 CO -0.24 -0.58 0.31 0.35 0.00 0.00 0.00 179.25 179.08 1xqe h PHE 12 N -0.16 0.55 0.00 0.00 3.57 -1.17 -2.01 116.94 117.72 1xqe h PHE 12 Ca 0.05 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.40 1xqe h PHE 12 Cb 0.22 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1xqe h PHE 12 CO -0.18 0.21 -0.91 0.52 -2.23 0.00 0.00 178.31 175.72 1xqe h MET 13 N 0.55 0.00 -0.30 1.11 2.86 -0.75 0.54 114.93 118.93 1xqe h MET 13 Ca 0.31 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.87 1xqe h MET 13 Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1xqe h MET 13 CO -0.25 0.74 -0.12 0.52 1.06 0.00 0.00 176.91 178.87 1xqe h MET 14 N 0.00 0.62 -0.60 1.72 2.86 -0.96 -1.56 114.93 117.01 1xqe h MET 14 Ca -0.04 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.27 1xqe h MET 14 Cb 1.64 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.26 1xqe h MET 14 CO 0.10 0.84 0.10 0.82 1.06 0.00 0.00 176.91 179.82 1xqe h ILE 15 N 0.38 1.26 -0.74 -1.22 1.08 -1.29 -2.00 117.51 114.98 1xqe h ILE 15 Ca 0.07 -0.99 -0.00 0.00 -0.39 0.00 0.00 64.86 63.55 1xqe h ILE 15 Cb 0.64 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 1xqe h ILE 15 CO 0.04 0.37 0.46 0.00 -0.69 0.00 0.00 178.15 178.33 1xqe h THR 17 N 1.01 1.18 -0.73 0.00 2.02 -1.04 -0.79 112.91 114.56 1xqe h THR 17 Ca 0.27 -0.55 0.12 0.00 0.77 0.00 0.00 66.41 67.01 1xqe h THR 17 Cb -0.07 1.33 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 1xqe h THR 17 CO -0.05 0.16 0.33 0.00 0.37 0.00 0.00 175.52 176.33 1xqe h ALA 18 N 0.84 1.01 -0.57 6.16 0.00 -0.96 0.07 119.26 125.81 1xqe h ALA 18 Ca 0.04 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xqe h ALA 18 Cb 0.22 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xqe h ALA 18 CO -0.00 -0.13 0.35 -0.07 0.00 0.00 0.00 179.25 179.41 1xqe h LEU 19 N 0.52 0.59 -0.46 0.00 3.38 -0.86 -0.29 115.31 118.19 1xqe h LEU 19 Ca 0.38 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.21 1xqe h LEU 19 Cb 0.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1xqe h LEU 19 CO -0.33 0.41 -0.25 0.58 0.09 0.00 0.00 178.44 178.94 1xqe h VAL 20 N 0.71 1.27 -0.74 1.22 2.07 -0.44 -2.62 116.25 117.72 1xqe h VAL 20 Ca 0.23 -1.42 0.05 0.00 0.82 0.00 0.00 66.70 66.38 1xqe h VAL 20 Cb -0.00 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1xqe h VAL 20 CO -0.09 0.49 0.44 -0.07 0.02 0.00 0.00 177.57 178.36 1xqe h LEU 21 N 0.82 0.69 -1.26 2.57 3.38 -0.82 -1.85 115.31 118.83 1xqe h LEU 21 Ca 0.10 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.28 1xqe h LEU 21 Cb 0.84 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1xqe h LEU 21 CO 0.07 0.45 0.61 0.15 0.09 0.00 0.00 178.44 179.81 1xqe h PHE 22 N 0.82 0.81 -0.45 1.13 3.57 -0.82 -0.62 116.94 121.39 1xqe h PHE 22 Ca 0.32 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.85 1xqe h PHE 22 Cb 0.14 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1xqe h PHE 22 CO -0.05 0.19 0.30 0.52 -2.23 0.00 0.00 178.31 177.04 1xqe h MET 23 N 0.59 0.58 0.00 1.11 2.86 -0.96 -2.15 114.93 116.96 1xqe h MET 23 Ca 0.53 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.97 1xqe h MET 23 Cb 1.05 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1xqe h MET 23 CO -0.28 0.39 -1.00 1.15 1.06 0.00 0.00 176.91 178.23 1xqe h THR 24 N 0.60 0.80 -3.49 2.22 2.02 -1.36 0.19 112.91 113.89 1xqe h THR 24 Ca 0.16 -1.96 -0.71 0.00 0.77 0.00 0.00 66.41 64.68 1xqe h THR 24 Cb -0.06 1.87 -0.34 0.00 -1.74 0.00 0.00 68.15 67.88 1xqe h THR 24 CO -0.04 0.27 -0.41 -0.63 0.37 0.00 0.00 175.52 175.08 1xqe s ILE 25 N -2.31 3.74 -1.35 3.11 -1.09 -0.32 -3.16 121.20 119.82 1xqe s ILE 25 Ca -0.25 -2.40 0.13 0.00 -2.23 0.00 0.00 60.65 55.90 1xqe s ILE 25 Cb 0.04 -3.48 0.27 0.00 -1.58 0.00 0.00 42.46 37.72 1xqe s ILE 25 CO 0.52 -0.80 1.17 -0.81 -1.23 0.00 0.00 174.94 173.78 1xqe n PRO 26 N 4.16 2.10 -0.04 2.79 -0.04 -1.12 -4.09 135.00 138.76 1xqe n PRO 26 Ca 0.02 -1.84 -0.10 0.00 -0.04 0.00 0.00 63.50 61.53 1xqe n PRO 26 Cb 0.40 -1.30 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 1xqe n PRO 26 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1xqe h GLY 27 N 2.54 -1.26 1.78 0.55 0.00 -1.28 -0.26 103.07 105.14 1xqe h GLY 27 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 47.33 47.89 1xqe h GLY 27 CO 0.00 -0.32 -0.63 1.19 0.00 0.00 0.00 176.54 176.79 1xqe h ILE 28 N -0.36 1.40 -0.64 2.60 6.09 -0.67 -0.54 117.51 125.40 1xqe h ILE 28 Ca 0.03 -2.04 0.01 0.00 -1.37 0.00 0.00 64.86 61.49 1xqe h ILE 28 Cb 0.45 2.05 -0.03 0.00 0.47 0.00 0.00 36.82 39.76 1xqe h ILE 28 CO -0.35 0.60 0.42 0.00 -3.07 0.00 0.00 178.15 175.75 1xqe h ALA 29 N 1.18 0.81 -0.06 0.18 0.00 -1.52 -1.05 119.26 118.79 1xqe h ALA 29 Ca -0.01 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1xqe h ALA 29 Cb 1.14 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1xqe h ALA 29 CO 0.10 0.24 -0.76 -0.07 0.00 0.00 0.00 179.25 178.76 1xqe h LEU 30 N 0.86 0.47 0.56 0.00 3.38 -0.79 1.00 115.31 120.78 1xqe h LEU 30 Ca 0.23 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1xqe h LEU 30 Cb -0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1xqe h LEU 30 CO -0.05 1.07 -0.41 0.15 0.09 0.00 0.00 178.44 179.29 1xqe h PHE 31 N 0.26 -1.09 0.00 1.13 3.57 -0.81 -2.03 116.94 117.97 1xqe h PHE 31 Ca -0.04 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1xqe h PHE 31 Cb 1.34 0.40 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 1xqe h PHE 31 CO 0.04 -0.59 -0.43 1.88 -2.23 0.00 0.00 178.31 176.98 1xqe h TYR 32 N -0.93 0.00 -0.59 0.41 0.05 -1.25 -2.98 116.97 111.68 1xqe h TYR 32 Ca -0.06 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.74 1xqe h TYR 32 Cb 0.78 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.49 1xqe h TYR 32 CO -0.15 0.43 0.39 0.78 -1.05 0.00 0.00 178.16 178.57 1xqe h GLY 33 N 1.35 0.79 1.55 3.88 0.00 -0.43 -1.00 103.07 109.22 1xqe h GLY 33 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1xqe h GLY 33 CO 0.06 0.25 -0.35 -1.33 0.00 0.00 0.00 176.54 175.17 1xqe h GLY 34 N 0.72 0.00 0.92 4.60 0.00 -1.23 -3.35 103.07 104.72 1xqe h GLY 34 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.26 1xqe h GLY 34 CO -0.06 0.00 -1.76 1.04 0.00 0.00 0.00 176.54 175.76 1xqe n LEU 35 N -2.23 0.95 -4.95 3.11 4.77 -0.44 -1.84 117.00 116.36 1xqe n LEU 35 Ca 0.04 0.39 -0.23 0.00 -0.03 0.00 0.00 56.01 56.18 1xqe n LEU 35 Cb 0.44 0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1xqe n LEU 35 CO 0.34 0.42 0.29 0.27 -1.33 0.00 0.00 177.39 177.38 1xqe s ILE 36 N -2.59 3.91 0.57 -0.08 -4.36 -0.85 -4.25 121.20 113.55 1xqe s ILE 36 Ca -0.06 -0.50 -0.21 0.00 -0.26 0.00 0.00 60.65 59.62 1xqe s ILE 36 Cb 0.08 -3.45 -0.04 0.00 1.25 0.00 0.00 42.46 40.30 1xqe s ILE 36 CO 0.82 -0.31 1.34 -0.13 0.24 0.00 0.00 174.94 176.89 1xqe s ARG 37 N -4.57 2.99 0.33 0.37 0.52 -1.26 -4.25 118.95 113.08 1xqe s ARG 37 Ca 0.49 2.17 0.08 0.00 -0.52 0.00 0.00 55.73 57.95 1xqe s ARG 37 Cb -0.10 -2.14 0.80 0.00 0.52 0.00 0.00 34.95 34.02 1xqe s ARG 37 CO 0.38 -1.29 1.80 0.78 0.02 0.00 0.00 175.30 176.99 1xqe h GLY 38 N 1.22 1.59 1.97 -3.53 0.00 -1.96 -1.76 103.07 100.60 1xqe h GLY 38 Ca -0.51 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1xqe h GLY 38 CO 0.56 -0.03 0.00 0.58 0.00 0.00 0.00 176.54 177.65 1xqe n LYS 39 N -4.70 0.02 0.00 4.80 2.85 -1.26 -2.63 118.16 117.24 1xqe n LYS 39 Ca 0.22 0.11 0.08 0.00 -1.05 0.00 0.00 58.31 57.68 1xqe n LYS 39 Cb 0.59 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.37 1xqe n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xqe n ASN 40 N -1.48 0.80 -0.08 -5.58 3.02 -0.67 -4.69 115.26 106.57 1xqe n ASN 40 Ca 0.06 -0.90 -0.10 0.00 -0.03 0.00 0.00 54.58 53.61 1xqe n ASN 40 Cb 0.25 0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 40.39 1xqe n ASN 40 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqe h VAL 41 N 0.02 1.12 -0.81 2.41 2.07 -1.46 -2.13 116.25 117.47 1xqe h VAL 41 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1xqe h VAL 41 Cb 0.39 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1xqe h VAL 41 CO 0.00 0.11 0.51 -0.07 0.02 0.00 0.00 177.57 178.15 1xqe h LEU 42 N 0.32 0.94 -0.42 2.57 3.38 -1.84 0.02 115.31 120.29 1xqe h LEU 42 Ca 0.09 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 1xqe h LEU 42 Cb 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1xqe h LEU 42 CO -0.02 0.70 -0.52 -1.28 0.09 0.00 0.00 178.44 177.41 1xqe h SER 43 N 1.10 0.80 -0.40 -0.43 0.87 -1.86 -1.86 113.55 111.78 1xqe h SER 43 Ca 0.29 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1xqe h SER 43 Cb -0.09 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.62 1xqe h SER 43 CO -0.06 1.18 0.19 -0.03 -0.53 0.00 0.00 176.83 177.58 1xqe h MET 44 N 0.56 0.57 -0.84 2.24 1.85 -1.05 -1.10 114.93 117.16 1xqe h MET 44 Ca 0.02 -0.08 -0.02 0.00 -0.61 0.00 0.00 59.70 59.01 1xqe h MET 44 Cb 1.10 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.98 1xqe h MET 44 CO 0.11 0.49 0.46 -0.07 -0.40 0.00 0.00 176.91 177.51 1xqe h LEU 45 N 0.50 1.05 -0.11 3.39 3.38 -0.87 0.48 115.31 123.13 1xqe h LEU 45 Ca 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xqe h LEU 45 Cb 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1xqe h LEU 45 CO -0.02 0.84 0.05 0.74 0.09 0.00 0.00 178.44 180.14 1xqe h THR 46 N 1.18 1.13 -0.66 0.22 2.02 -1.19 -1.64 112.91 113.97 1xqe h THR 46 Ca 0.30 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1xqe h THR 46 Cb 0.02 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1xqe h THR 46 CO -0.05 0.12 0.36 1.56 0.37 0.00 0.00 175.52 177.88 1xqe h GLN 47 N 0.03 0.92 -0.78 6.66 4.20 -0.94 -0.93 115.11 124.27 1xqe h GLN 47 Ca 0.04 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1xqe h GLN 47 Cb 0.14 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 1xqe h GLN 47 CO -0.00 0.70 0.43 0.28 -0.67 0.00 0.00 178.83 179.56 1xqe h VAL 48 N 0.90 1.23 -0.25 -0.54 2.07 -0.83 -1.51 116.25 117.32 1xqe h VAL 48 Ca 0.23 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1xqe h VAL 48 Cb 0.04 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1xqe h VAL 48 CO -0.04 0.26 -0.04 0.74 0.02 0.00 0.00 177.57 178.51 1xqe h THR 49 N 1.09 1.28 -0.09 2.57 2.02 -1.05 -2.05 112.91 116.67 1xqe h THR 49 Ca 0.28 -1.03 -0.22 0.00 0.77 0.00 0.00 66.41 66.20 1xqe h THR 49 Cb 0.03 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1xqe h THR 49 CO -0.04 0.32 -0.81 0.58 0.37 0.00 0.00 175.52 175.94 1xqe h VAL 50 N 0.23 1.30 0.00 3.16 2.07 -1.17 -2.16 116.25 119.69 1xqe h VAL 50 Ca 0.07 -2.04 -0.09 0.00 0.82 0.00 0.00 66.70 65.46 1xqe h VAL 50 Cb 0.50 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1xqe h VAL 50 CO 0.02 0.63 -0.43 0.71 0.02 0.00 0.00 177.57 178.52 1xqe h THR 51 N 0.40 1.03 0.10 2.57 1.35 -1.35 -1.41 112.91 115.60 1xqe h THR 51 Ca -0.07 -1.65 -0.01 0.00 -0.55 0.00 0.00 66.41 64.13 1xqe h THR 51 Cb 1.45 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 1xqe h THR 51 CO 0.16 0.42 -0.05 0.15 -0.25 0.00 0.00 175.52 175.96 1xqe h PHE 52 N 0.00 -0.13 -0.53 4.73 3.57 -1.29 -1.05 116.94 122.24 1xqe h PHE 52 Ca -0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1xqe h PHE 52 Cb 0.93 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.67 1xqe h PHE 52 CO 0.00 -0.01 0.26 0.00 -2.23 0.00 0.00 178.31 176.33 1xqe h ALA 53 N 0.67 0.68 -0.61 2.41 0.00 -1.14 -1.98 119.26 119.29 1xqe h ALA 53 Ca -0.01 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xqe h ALA 53 Cb 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1xqe h ALA 53 CO 0.02 -0.09 0.34 1.25 0.00 0.00 0.00 179.25 180.77 1xqe h LEU 54 N 0.50 0.52 -0.19 0.00 5.85 -1.14 -2.29 115.31 118.55 1xqe h LEU 54 Ca 0.24 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 1xqe h LEU 54 Cb 0.16 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1xqe h LEU 54 CO -0.18 0.35 0.02 0.58 -0.34 0.00 0.00 178.44 178.88 1xqe h VAL 55 N 0.65 1.23 -0.96 1.05 2.07 -0.74 -0.05 116.25 119.50 1xqe h VAL 55 Ca 0.26 -0.77 0.12 0.00 0.82 0.00 0.00 66.70 67.14 1xqe h VAL 55 Cb 0.12 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 1xqe h VAL 55 CO -0.15 0.23 0.61 0.00 0.02 0.00 0.00 177.57 178.29 1xqe h ILE 57 N 0.91 1.55 -0.28 0.00 1.08 -1.09 -2.94 117.51 116.74 1xqe h ILE 57 Ca 0.47 -1.98 -0.03 0.00 -0.39 0.00 0.00 64.86 62.94 1xqe h ILE 57 Cb 0.53 2.79 -0.02 0.00 -3.07 0.00 0.00 36.82 37.06 1xqe h ILE 57 CO -0.24 0.54 0.06 -0.07 -0.69 0.00 0.00 178.15 177.76 1xqe h LEU 58 N -0.50 0.36 -0.12 1.44 3.38 -0.73 -1.11 115.31 118.03 1xqe h LEU 58 Ca -0.03 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xqe h LEU 58 Cb 1.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1xqe h LEU 58 CO 0.05 0.38 0.06 -0.25 0.09 0.00 0.00 178.44 178.77 1xqe h TRP 59 N 0.39 0.16 -0.04 1.13 2.91 -0.61 -1.33 115.95 118.57 1xqe h TRP 59 Ca 0.09 -0.00 -0.19 0.00 1.13 0.00 0.00 58.89 59.92 1xqe h TRP 59 Cb 0.17 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.76 1xqe h TRP 59 CO 0.00 0.18 -0.79 0.28 -1.03 0.00 0.00 178.44 177.08 1xqe h VAL 60 N 0.10 1.42 -0.03 2.65 2.07 -1.31 0.12 116.25 121.26 1xqe h VAL 60 Ca 0.04 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.24 1xqe h VAL 60 Cb 0.07 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1xqe h VAL 60 CO -0.01 0.69 -0.00 0.58 0.02 0.00 0.00 177.57 178.85 1xqe h VAL 61 N 0.20 1.27 0.00 2.57 2.07 -1.09 -2.64 116.25 118.64 1xqe h VAL 61 Ca -0.04 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1xqe h VAL 61 Cb 1.39 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1xqe h VAL 61 CO 0.13 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.94 1xqe n TYR 62 N -4.88 0.00 -0.05 1.57 0.18 -0.73 -1.25 117.16 112.00 1xqe n TYR 62 Ca -0.07 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.57 1xqe n TYR 62 Cb 0.20 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.08 1xqe n TYR 62 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1xqe h GLY 63 N 0.00 0.41 1.01 -7.48 0.00 -0.35 -1.31 103.07 95.35 1xqe h GLY 63 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1xqe h GLY 63 CO 0.00 0.41 0.44 -1.82 0.00 0.00 0.00 176.54 175.57 1xqe h TYR 64 N -0.01 1.01 -0.44 5.60 3.20 -1.06 0.29 116.97 125.55 1xqe h TYR 64 Ca 0.02 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1xqe h TYR 64 Cb 0.75 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1xqe h TYR 64 CO 0.09 0.69 0.10 1.03 -1.64 0.00 0.00 178.16 178.43 1xqe h SER 65 N 1.03 0.68 1.29 -2.11 0.87 -1.76 0.38 113.55 113.93 1xqe h SER 65 Ca 0.27 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1xqe h SER 65 Cb -0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1xqe h SER 65 CO -0.05 0.74 -0.34 -0.07 -0.53 0.00 0.00 176.83 176.59 1xqe h LEU 66 N 0.59 0.00 0.12 2.23 3.38 -1.01 0.76 115.31 121.38 1xqe h LEU 66 Ca 0.14 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.81 1xqe h LEU 66 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xqe h LEU 66 CO 0.00 0.34 -1.52 0.00 0.09 0.00 0.00 178.44 177.34 1xqe h ALA 67 N 1.66 0.20 0.00 1.53 0.00 -0.80 0.82 119.26 122.68 1xqe h ALA 67 Ca -0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1xqe h ALA 67 Cb 1.07 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1xqe h ALA 67 CO 0.04 0.91 -0.47 1.19 0.00 0.00 0.00 179.25 180.92 1xqe n PHE 68 N -3.84 0.00 -1.22 0.00 3.72 0.13 -4.00 117.46 112.25 1xqe n PHE 68 Ca -0.26 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.83 1xqe n PHE 68 Cb 0.94 -0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.57 1xqe n PHE 68 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xqe s GLY 69 N -1.94 1.67 -0.05 1.37 0.00 0.25 -4.98 107.32 103.64 1xqe s GLY 69 Ca 0.04 0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.78 1xqe s GLY 69 CO 0.40 0.63 0.79 1.85 0.00 0.00 0.00 173.10 176.78 1xqe s GLU 70 N -4.89 4.47 0.00 2.90 2.12 -1.26 -4.13 118.70 117.91 1xqe s GLU 70 Ca 0.62 1.05 0.00 0.00 0.36 0.00 0.00 54.97 57.00 1xqe s GLU 70 Cb -0.17 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.76 1xqe s GLU 70 CO 0.56 0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1xqe n GLY 71 N 3.05 0.99 0.00 -1.50 0.00 -1.25 -4.09 105.19 102.39 1xqe n GLY 71 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1xqe n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xqe n ASN 72 N 0.00 1.45 0.15 1.61 0.23 -0.53 -5.01 115.26 113.15 1xqe n ASN 72 Ca 0.00 -0.22 0.13 0.00 -0.53 0.00 0.00 54.58 53.96 1xqe n ASN 72 Cb 0.00 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.21 1xqe n ASN 72 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1xqe h ASN 73 N 0.00 0.00 0.00 0.53 2.35 -1.93 -3.37 115.58 113.16 1xqe h ASN 73 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1xqe h ASN 73 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1xqe h ASN 73 CO 0.00 0.00 -1.20 0.49 -1.65 0.00 0.00 177.43 175.07 1xqe n PHE 74 N -2.35 0.00 -4.12 1.19 3.72 -1.26 -0.71 117.46 113.93 1xqe n PHE 74 Ca 0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 1xqe n PHE 74 Cb 0.25 -0.14 -0.09 0.00 -0.94 0.00 0.00 39.48 38.56 1xqe n PHE 74 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1xqe s PHE 75 N -2.07 0.87 0.00 1.38 -0.12 -1.26 -4.24 117.98 112.54 1xqe s PHE 75 Ca -0.04 -1.16 0.00 0.00 -0.05 0.00 0.00 56.93 55.68 1xqe s PHE 75 Cb 0.01 -0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.05 1xqe s PHE 75 CO 0.09 -0.69 0.00 0.41 -0.05 0.00 0.00 175.22 174.98 1xqe n GLY 76 N -0.25 0.73 2.55 1.99 0.00 0.28 -1.46 105.19 109.04 1xqe n GLY 76 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1xqe n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xqe n ASN 77 N 0.00 -0.61 -1.18 1.61 0.23 -1.13 -4.15 115.26 110.03 1xqe n ASN 77 Ca 0.00 -2.72 -0.04 0.00 -0.53 0.00 0.00 54.58 51.29 1xqe n ASN 77 Cb 0.00 1.39 0.20 0.00 -2.08 0.00 0.00 39.78 39.29 1xqe n ASN 77 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1xqe n ILE 78 N -0.50 2.56 0.44 1.53 -5.35 -1.26 -2.94 119.36 113.83 1xqe n ILE 78 Ca 0.06 -2.65 0.12 0.00 -0.27 0.00 0.00 62.75 60.01 1xqe n ILE 78 Cb 0.48 -0.32 0.24 0.00 -1.74 0.00 0.00 39.64 38.30 1xqe n ILE 78 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1xqe h ASN 79 N 1.06 0.00 -0.70 7.28 -0.26 -1.94 -3.29 115.58 117.73 1xqe h ASN 79 Ca 0.22 -0.04 -0.42 0.00 -0.56 0.00 0.00 56.30 55.50 1xqe h ASN 79 Cb 1.69 0.00 -0.24 0.00 -1.06 0.00 0.00 38.32 38.71 1xqe h ASN 79 CO 0.40 0.02 0.16 0.79 -1.06 0.00 0.00 177.43 177.74 1xqe n TRP 80 N -2.53 2.25 -1.70 1.19 8.01 -1.26 -4.50 117.44 118.90 1xqe n TRP 80 Ca 0.04 -2.08 -0.42 0.00 -1.31 0.00 0.00 57.50 53.73 1xqe n TRP 80 Cb 0.48 -0.78 -0.03 0.00 -2.01 0.00 0.00 31.31 28.97 1xqe n TRP 80 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 1xqe s LEU 81 N -3.45 4.42 -1.81 -0.99 1.02 -1.24 -1.40 118.68 115.23 1xqe s LEU 81 Ca 0.53 2.68 0.00 0.00 0.02 0.00 0.00 54.13 57.36 1xqe s LEU 81 Cb 0.45 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 43.11 1xqe s LEU 81 CO 0.02 -1.03 0.00 0.23 0.02 0.00 0.00 176.35 175.59 1xqe n MET 82 N 6.88 -1.51 -2.02 1.70 2.81 -0.38 -2.02 117.12 122.58 1xqe n MET 82 Ca 0.19 1.03 -0.21 0.00 -1.81 0.00 0.00 57.70 56.90 1xqe n MET 82 Cb 0.40 -5.54 -0.05 0.00 -0.71 0.00 0.00 33.22 27.32 1xqe n MET 82 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1xqe n LEU 83 N -2.65 -1.75 -4.76 4.03 4.77 -0.49 -4.98 117.00 111.17 1xqe n LEU 83 Ca -0.22 0.23 -0.38 0.00 -0.03 0.00 0.00 56.01 55.61 1xqe n LEU 83 Cb 0.67 -2.91 0.03 0.00 -2.33 0.00 0.00 43.42 38.88 1xqe n LEU 83 CO 0.28 -0.63 0.95 -0.75 -1.33 0.00 0.00 177.39 175.90 1xqe s LYS 84 N -4.44 3.30 -0.48 3.23 2.20 -0.86 -2.54 119.74 120.16 1xqe s LYS 84 Ca 0.00 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 1xqe s LYS 84 Cb 0.00 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 34.02 1xqe s LYS 84 CO 0.00 -1.02 0.00 0.09 -0.36 0.00 0.00 175.35 174.06 1xqe n ASN 85 N -0.88 -5.12 -4.25 1.43 3.02 -1.26 -4.15 115.26 104.05 1xqe n ASN 85 Ca 0.09 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 1xqe n ASN 85 Cb 0.46 -3.01 -0.09 0.00 -0.61 0.00 0.00 39.78 36.52 1xqe n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xqe s ILE 86 N -1.64 4.31 0.41 2.41 1.01 -1.05 -5.04 121.20 121.60 1xqe s ILE 86 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 60.65 58.83 1xqe s ILE 86 Cb 0.00 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.64 1xqe s ILE 86 CO 0.00 -0.65 1.19 -0.62 0.00 0.00 0.00 174.94 174.86 1xqe n GLU 87 N 4.94 1.75 -0.17 2.79 -0.58 -1.26 -4.87 120.64 123.25 1xqe n GLU 87 Ca -0.09 0.62 0.06 0.00 -0.42 0.00 0.00 57.16 57.34 1xqe n GLU 87 Cb 0.42 -2.26 0.36 0.00 -0.57 0.00 0.00 31.44 29.39 1xqe n GLU 87 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1xqe h LEU 88 N 1.96 0.64 -1.35 -4.62 5.85 -1.97 -1.08 115.31 114.74 1xqe h LEU 88 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1xqe h LEU 88 Cb 1.31 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1xqe h LEU 88 CO 0.59 0.42 0.00 0.35 -0.34 0.00 0.00 178.44 179.46 1xqe n THR 89 N -4.48 0.38 -1.82 1.05 -2.24 -1.26 -4.77 114.28 101.14 1xqe n THR 89 Ca 0.10 -0.46 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 1xqe n THR 89 Cb 0.22 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1xqe n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xqe s ALA 90 N -1.62 3.47 -0.10 6.98 0.00 -0.41 -4.90 121.76 125.18 1xqe s ALA 90 Ca 0.30 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.80 1xqe s ALA 90 Cb 0.16 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1xqe s ALA 90 CO 0.23 -1.07 -0.16 0.08 0.00 0.00 0.00 175.76 174.84 1xqe s VAL 91 N -1.15 2.79 -0.19 0.00 1.01 -1.26 -0.31 120.40 121.29 1xqe s VAL 91 Ca 0.55 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1xqe s VAL 91 Cb -0.45 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 33.84 1xqe s VAL 91 CO 0.61 0.55 -0.13 -0.32 0.00 0.00 0.00 175.10 175.81 1xqe s MET 92 N 0.04 2.28 6.94 2.72 0.00 0.11 -4.72 119.30 126.67 1xqe s MET 92 Ca -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 55.69 54.80 1xqe s MET 92 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 34.83 32.26 1xqe s MET 92 CO 0.05 -0.36 0.00 0.41 0.00 0.00 0.00 175.02 175.12 1xqe n GLY 93 N 4.67 2.41 0.12 2.11 0.00 -1.26 -2.47 105.19 110.77 1xqe n GLY 93 Ca -0.16 0.01 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1xqe n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xqe n SER 94 N 10.13 2.34 -4.32 1.61 3.41 -1.26 -4.87 113.62 120.65 1xqe n SER 94 Ca 0.00 -2.61 -0.17 0.00 -0.26 0.00 0.00 58.87 55.82 1xqe n SER 94 Cb 0.00 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 63.59 1xqe n SER 94 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1xqe s ILE 95 N -2.06 1.61 0.27 -1.33 -4.36 -1.03 -0.65 121.20 113.65 1xqe s ILE 95 Ca 0.20 -2.18 -0.31 0.00 -0.26 0.00 0.00 60.65 58.10 1xqe s ILE 95 Cb 0.17 -2.00 -0.12 0.00 1.25 0.00 0.00 42.46 41.76 1xqe s ILE 95 CO 0.03 -0.63 1.60 -1.22 0.24 0.00 0.00 174.94 174.96 1xqe n TYR 96 N -0.34 2.76 -0.13 1.37 4.01 -1.26 0.07 117.16 123.64 1xqe n TYR 96 Ca -0.08 0.23 0.10 0.00 -0.16 0.00 0.00 57.90 57.98 1xqe n TYR 96 Cb 0.60 -2.60 0.44 0.00 -0.31 0.00 0.00 39.34 37.47 1xqe n TYR 96 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1xqe h GLN 97 N 5.14 0.53 -0.85 -0.72 4.15 -0.95 -0.37 115.11 122.04 1xqe h GLN 97 Ca -0.46 -0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.05 1xqe h GLN 97 Cb 1.23 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.73 1xqe h GLN 97 CO 0.82 0.35 0.55 1.88 -1.93 0.00 0.00 178.83 180.51 1xqe h TYR 98 N 0.55 0.80 -0.41 3.99 -1.99 -1.86 0.15 116.97 118.20 1xqe h TYR 98 Ca 0.30 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.93 1xqe h TYR 98 Cb 0.45 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 1xqe h TYR 98 CO -0.00 0.33 -0.22 0.82 -0.00 0.00 0.00 178.16 179.09 1xqe h ILE 99 N 0.71 1.27 -0.81 -2.88 2.04 -1.43 -2.41 117.51 113.99 1xqe h ILE 99 Ca 0.41 -1.35 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1xqe h ILE 99 Cb 0.60 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1xqe h ILE 99 CO -0.17 0.45 0.43 -0.74 0.00 0.00 0.00 178.15 178.12 1xqe h HIS 100 N 0.71 1.12 -0.17 1.37 2.76 -0.77 0.12 115.15 120.29 1xqe h HIS 100 Ca 0.10 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1xqe h HIS 100 Cb 0.75 -0.36 -0.04 0.00 1.55 0.00 0.00 27.41 29.31 1xqe h HIS 100 CO 0.04 0.79 -0.08 0.28 -1.30 0.00 0.00 177.93 177.66 1xqe h VAL 101 N 1.13 0.73 -0.44 5.26 2.07 -0.68 -1.29 116.25 123.04 1xqe h VAL 101 Ca 0.28 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.70 1xqe h VAL 101 Cb 0.05 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1xqe h VAL 101 CO -0.04 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.43 1xqe h ALA 102 N 1.08 0.61 -0.07 1.67 0.00 -1.03 -0.29 119.26 121.23 1xqe h ALA 102 Ca 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xqe h ALA 102 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xqe h ALA 102 CO -0.21 0.50 0.03 0.35 0.00 0.00 0.00 179.25 179.92 1xqe h PHE 103 N 0.69 0.10 -0.38 0.00 3.57 -0.67 -2.18 116.94 118.08 1xqe h PHE 103 Ca 0.11 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 1xqe h PHE 103 Cb 0.66 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 1xqe h PHE 103 CO 0.05 0.21 -0.09 1.96 -2.23 0.00 0.00 178.31 178.21 1xqe h GLN 104 N -0.04 0.65 -0.78 1.11 1.08 -1.19 -2.73 115.11 113.20 1xqe h GLN 104 Ca 0.02 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1xqe h GLN 104 Cb 0.15 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1xqe h GLN 104 CO -0.00 0.73 0.48 0.78 -0.95 0.00 0.00 178.83 179.87 1xqe h GLY 105 N 0.95 1.12 2.00 3.46 0.00 -0.90 -2.57 103.07 107.13 1xqe h GLY 105 Ca 0.11 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1xqe h GLY 105 CO 0.03 0.44 -0.26 1.48 0.00 0.00 0.00 176.54 178.22 1xqe h SER 106 N 1.07 0.00 -0.31 0.19 4.64 -1.08 -1.63 113.55 116.43 1xqe h SER 106 Ca 0.28 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 1xqe h SER 106 Cb -0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1xqe h SER 106 CO -0.06 0.26 -0.20 -0.26 -0.87 0.00 0.00 176.83 175.70 1xqe h PHE 107 N 0.00 0.81 -0.83 4.77 -1.00 -1.37 -2.63 116.94 116.69 1xqe h PHE 107 Ca -0.00 -0.22 0.11 0.00 2.81 0.00 0.00 57.97 60.67 1xqe h PHE 107 Cb 0.67 -0.18 -0.08 0.00 3.61 0.00 0.00 35.95 39.97 1xqe h PHE 107 CO 0.00 0.93 0.46 0.00 -1.61 0.00 0.00 178.31 178.09 1xqe h ALA 108 N 0.75 1.19 -0.22 2.45 0.00 -1.12 -2.61 119.26 119.70 1xqe h ALA 108 Ca 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xqe h ALA 108 Cb 0.75 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xqe h ALA 108 CO 0.06 0.05 0.12 0.00 0.00 0.00 0.00 179.25 179.47 1xqe h ILE 110 N 0.25 1.40 -0.16 0.00 6.09 -1.39 0.84 117.51 124.54 1xqe h ILE 110 Ca 0.08 -1.96 -0.03 0.00 -1.37 0.00 0.00 64.86 61.58 1xqe h ILE 110 Cb 0.07 2.02 -0.01 0.00 0.47 0.00 0.00 36.82 39.37 1xqe h ILE 110 CO -0.01 0.57 -0.01 0.74 -3.07 0.00 0.00 178.15 176.36 1xqe h THR 111 N 0.08 1.27 -0.63 2.19 2.02 -1.35 -0.61 112.91 115.89 1xqe h THR 111 Ca -0.00 -0.90 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1xqe h THR 111 Cb 1.05 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.99 1xqe h THR 111 CO 0.08 0.27 0.09 0.58 0.37 0.00 0.00 175.52 176.91 1xqe h VAL 112 N 0.01 1.26 -0.98 3.16 2.07 -1.31 -3.03 116.25 117.43 1xqe h VAL 112 Ca 0.04 -1.03 0.06 0.00 0.82 0.00 0.00 66.70 66.59 1xqe h VAL 112 Cb 0.41 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1xqe h VAL 112 CO 0.01 0.38 0.63 1.23 0.02 0.00 0.00 177.57 179.84 1xqe h GLY 113 N 0.95 1.48 0.92 2.17 0.00 -0.56 0.35 103.07 108.38 1xqe h GLY 113 Ca 0.19 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1xqe h GLY 113 CO 0.01 0.35 0.66 1.41 0.00 0.00 0.00 176.54 178.97 1xqe h LEU 114 N 1.17 1.12 -0.00 3.11 3.38 -1.01 -0.47 115.31 122.60 1xqe h LEU 114 Ca 0.42 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 1xqe h LEU 114 Cb 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1xqe h LEU 114 CO -0.16 0.78 -0.07 0.40 0.09 0.00 0.00 178.44 179.47 1xqe h ILE 115 N 1.30 1.57 -0.34 1.22 2.04 -1.27 -3.29 117.51 118.74 1xqe h ILE 115 Ca 0.39 -1.79 -0.17 0.00 1.00 0.00 0.00 64.86 64.29 1xqe h ILE 115 Cb -0.05 2.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1xqe h ILE 115 CO -0.11 0.47 -0.46 0.58 0.00 0.00 0.00 178.15 178.64 1xqe h VAL 116 N -0.65 1.27 -0.99 1.67 2.07 -0.90 -2.37 116.25 116.35 1xqe h VAL 116 Ca -0.01 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 65.89 1xqe h VAL 116 Cb 0.81 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 1xqe h VAL 116 CO 0.01 0.54 0.66 1.23 0.02 0.00 0.00 177.57 180.03 1xqe h GLY 117 N 0.74 1.41 1.40 2.17 0.00 -1.25 0.26 103.07 107.81 1xqe h GLY 117 Ca 0.04 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 1xqe h GLY 117 CO 0.11 0.49 -0.36 0.00 0.00 0.00 0.00 176.54 176.78 1xqe h ALA 118 N 1.39 0.82 0.00 3.60 0.00 -1.56 -3.33 119.26 120.18 1xqe h ALA 118 Ca 0.37 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xqe h ALA 118 Cb -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xqe h ALA 118 CO -0.09 0.64 -0.89 1.28 0.00 0.00 0.00 179.25 180.20 1xqe n LEU 119 N -4.05 0.67 -0.33 0.00 4.77 -0.92 -4.60 117.00 112.53 1xqe n LEU 119 Ca -0.01 -0.44 0.14 0.00 -0.03 0.00 0.00 56.01 55.67 1xqe n LEU 119 Cb 0.50 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.92 1xqe n LEU 119 CO 0.45 0.17 1.14 0.00 -1.33 0.00 0.00 177.39 177.82 1xqe h ALA 120 N 2.19 1.60 -1.07 -1.18 0.00 -0.60 0.78 119.26 120.98 1xqe h ALA 120 Ca 0.00 0.11 0.30 0.00 0.00 0.00 0.00 54.91 55.32 1xqe h ALA 120 Cb 0.43 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.11 1xqe h ALA 120 CO 0.00 -0.19 0.66 1.49 0.00 0.00 0.00 179.25 181.21 1xqe h GLU 121 N 0.60 0.36 0.00 0.00 4.81 -1.83 -3.05 114.58 115.48 1xqe h GLU 121 Ca 0.58 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.64 1xqe h GLU 121 Cb 1.01 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1xqe h GLU 121 CO -0.44 0.24 -2.06 0.54 -0.73 0.00 0.00 179.01 176.55 1xqe n ARG 122 N -4.77 0.79 -3.93 1.92 1.74 0.23 -4.92 116.66 107.71 1xqe n ARG 122 Ca 0.29 -0.10 -0.37 0.00 -0.77 0.00 0.00 57.85 56.90 1xqe n ARG 122 Cb 0.96 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.87 1xqe n ARG 122 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1xqe s ILE 123 N -2.95 5.38 0.38 0.55 2.07 -0.99 -1.74 121.20 123.91 1xqe s ILE 123 Ca -0.08 0.16 -0.27 0.00 -1.41 0.00 0.00 60.65 59.04 1xqe s ILE 123 Cb 0.09 -3.34 -0.11 0.00 0.13 0.00 0.00 42.46 39.24 1xqe s ILE 123 CO 0.79 0.62 1.41 -1.14 -1.91 0.00 0.00 174.94 174.70 1xqe n ARG 124 N 1.99 2.40 0.11 3.50 0.63 1.00 -4.53 116.66 121.75 1xqe n ARG 124 Ca -0.20 0.84 -0.13 0.00 -0.92 0.00 0.00 57.85 57.45 1xqe n ARG 124 Cb 0.55 -2.55 -0.07 0.00 0.45 0.00 0.00 32.46 30.85 1xqe n ARG 124 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1xqe h PHE 125 N 2.66 -0.29 0.00 -0.14 3.57 -1.94 -1.38 116.94 119.42 1xqe h PHE 125 Ca -0.49 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 60.97 1xqe h PHE 125 Cb 1.26 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1xqe h PHE 125 CO 0.51 -0.17 -0.20 0.66 -2.23 0.00 0.00 178.31 176.88 1xqe h SER 126 N -0.26 0.00 -0.58 0.41 4.64 -1.95 -2.48 113.55 113.34 1xqe h SER 126 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1xqe h SER 126 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1xqe h SER 126 CO -0.02 0.20 0.08 0.00 -0.87 0.00 0.00 176.83 176.22 1xqe h ALA 127 N 1.80 0.77 0.00 5.18 0.00 -1.62 -2.58 119.26 122.81 1xqe h ALA 127 Ca -0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1xqe h ALA 127 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xqe h ALA 127 CO 0.03 0.53 -0.41 -0.24 0.00 0.00 0.00 179.25 179.15 1xqe h VAL 128 N 0.86 1.27 -0.18 0.00 3.04 -0.83 -1.62 116.25 118.79 1xqe h VAL 128 Ca 0.17 -1.43 -0.05 0.00 -1.01 0.00 0.00 66.70 64.38 1xqe h VAL 128 Cb 0.43 1.78 -0.00 0.00 -2.01 0.00 0.00 31.29 31.49 1xqe h VAL 128 CO 0.01 0.41 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.81 1xqe h LEU 129 N 0.00 0.40 -0.25 3.16 3.38 -1.33 -1.56 115.31 119.10 1xqe h LEU 129 Ca -0.00 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1xqe h LEU 129 Cb 0.74 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1xqe h LEU 129 CO 0.05 0.73 0.04 0.40 0.09 0.00 0.00 178.44 179.76 1xqe h ILE 130 N 0.06 0.87 -0.56 1.22 2.04 -1.32 -2.13 117.51 117.68 1xqe h ILE 130 Ca 0.04 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xqe h ILE 130 Cb 0.59 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1xqe h ILE 130 CO 0.03 0.02 0.37 0.15 0.00 0.00 0.00 178.15 178.72 1xqe h PHE 131 N 0.13 0.71 -0.67 1.37 3.57 -1.21 -2.13 116.94 118.71 1xqe h PHE 131 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1xqe h PHE 131 Cb 0.13 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1xqe h PHE 131 CO -0.17 0.45 0.40 0.28 -2.23 0.00 0.00 178.31 177.04 1xqe h VAL 132 N 0.76 1.20 0.45 1.41 2.07 -1.13 0.21 116.25 121.22 1xqe h VAL 132 Ca 0.21 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1xqe h VAL 132 Cb -0.08 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1xqe h VAL 132 CO -0.04 0.21 -0.22 0.58 0.02 0.00 0.00 177.57 178.12 1xqe h VAL 133 N 0.91 0.56 -0.27 2.57 2.07 -1.14 0.14 116.25 121.08 1xqe h VAL 133 Ca 0.24 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.76 1xqe h VAL 133 Cb -0.01 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1xqe h VAL 133 CO -0.04 0.00 0.14 0.58 0.02 0.00 0.00 177.57 178.27 1xqe h VAL 134 N -0.61 1.00 -0.01 2.57 2.07 -1.26 -2.35 116.25 117.65 1xqe h VAL 134 Ca -0.06 -0.10 -0.19 0.00 0.82 0.00 0.00 66.70 67.17 1xqe h VAL 134 Cb 0.46 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1xqe h VAL 134 CO 0.10 0.05 -0.72 -0.25 0.02 0.00 0.00 177.57 176.77 1xqe h TRP 135 N 0.29 0.74 -0.14 1.57 7.01 -0.49 -0.67 115.95 124.25 1xqe h TRP 135 Ca 0.11 -0.40 0.03 0.00 2.11 0.00 0.00 58.89 60.74 1xqe h TRP 135 Cb 0.03 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 1xqe h TRP 135 CO -0.09 1.22 -0.02 1.25 -2.79 0.00 0.00 178.44 178.01 1xqe h LEU 136 N 0.06 -0.10 -0.61 0.65 5.85 -0.78 0.11 115.31 120.49 1xqe h LEU 136 Ca -0.09 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1xqe h LEU 136 Cb 1.41 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 1xqe h LEU 136 CO 0.14 -0.03 0.25 0.74 -0.34 0.00 0.00 178.44 179.20 1xqe h THR 137 N 0.02 1.23 0.00 1.05 2.02 -1.39 -1.22 112.91 114.63 1xqe h THR 137 Ca 0.07 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1xqe h THR 137 Cb 0.10 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1xqe h THR 137 CO -0.13 0.28 -1.04 0.18 0.37 0.00 0.00 175.52 175.18 1xqe n LEU 138 N -4.46 0.43 -0.02 2.58 4.77 -0.26 -4.39 117.00 115.65 1xqe n LEU 138 Ca 0.04 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.64 1xqe n LEU 138 Cb 0.16 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1xqe n LEU 138 CO 0.39 0.11 -0.47 -0.24 -1.33 0.00 0.00 177.39 175.85 1xqe n SER 139 N -1.58 1.07 0.14 -1.43 2.88 0.32 -4.64 113.62 110.38 1xqe n SER 139 Ca 0.01 0.16 -0.14 0.00 -1.33 0.00 0.00 58.87 57.57 1xqe n SER 139 Cb 0.28 -0.38 -0.08 0.00 -0.75 0.00 0.00 64.21 63.28 1xqe n SER 139 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1xqe h TYR 140 N -0.32 -0.30 0.14 0.66 3.20 -1.04 -2.25 116.97 117.06 1xqe h TYR 140 Ca -0.10 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.78 1xqe h TYR 140 Cb 0.69 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 1xqe h TYR 140 CO -0.09 -0.06 -0.26 0.82 -1.64 0.00 0.00 178.16 176.93 1xqe h ILE 141 N -0.50 0.43 -0.86 1.81 2.04 -1.43 0.90 117.51 119.90 1xqe h ILE 141 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1xqe h ILE 141 Cb 0.37 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1xqe h ILE 141 CO 0.05 0.00 0.47 -0.65 0.00 0.00 0.00 178.15 178.02 1xqe h PRO 142 N -0.48 1.20 -0.37 2.37 0.11 -1.73 0.85 132.00 133.95 1xqe h PRO 142 Ca 0.02 -0.14 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 1xqe h PRO 142 Cb 0.50 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1xqe h PRO 142 CO -0.14 0.88 -0.13 0.82 -0.21 0.00 0.00 178.00 179.22 1xqe h ILE 143 N 1.20 1.28 -0.70 4.15 2.04 -1.24 0.14 117.51 124.38 1xqe h ILE 143 Ca 0.30 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 65.00 1xqe h ILE 143 Cb 0.03 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1xqe h ILE 143 CO -0.05 0.41 0.38 0.00 0.00 0.00 0.00 178.15 178.89 1xqe h ALA 144 N 0.81 0.95 -0.24 1.87 0.00 -0.68 -1.72 119.26 120.25 1xqe h ALA 144 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xqe h ALA 144 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xqe h ALA 144 CO 0.04 0.03 0.10 1.25 0.00 0.00 0.00 179.25 180.68 1xqe h HIS 145 N 0.68 0.36 -0.33 0.00 -0.00 -0.35 0.24 115.15 115.74 1xqe h HIS 145 Ca 0.32 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.68 1xqe h HIS 145 Cb 0.25 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 1xqe h HIS 145 CO -0.08 0.37 0.22 0.52 -0.00 0.00 0.00 177.93 178.96 1xqe h MET 146 N 0.24 0.39 0.01 5.26 2.07 -0.50 -0.39 114.93 122.01 1xqe h MET 146 Ca 0.08 -0.02 -0.40 0.00 -2.07 0.00 0.00 59.70 57.28 1xqe h MET 146 Cb 0.16 -0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 29.74 1xqe h MET 146 CO -0.01 0.26 -2.34 0.28 1.07 0.00 0.00 176.91 176.17 1xqe n VAL 147 N -4.49 1.54 0.13 -2.22 0.31 -0.67 -0.35 118.33 112.58 1xqe n VAL 147 Ca 0.02 -0.45 0.01 0.00 -0.01 0.00 0.00 64.34 63.91 1xqe n VAL 147 Cb 0.11 -1.70 -0.01 0.00 -0.91 0.00 0.00 33.84 31.33 1xqe n VAL 147 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1xqe n TRP 148 N -3.79 0.00 -1.20 3.52 8.01 0.81 -4.26 117.44 120.53 1xqe n TRP 148 Ca -0.47 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 55.69 1xqe n TRP 148 Cb 0.93 0.00 0.24 0.00 -2.01 0.00 0.00 31.31 30.47 1xqe n TRP 148 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xqe n GLY 149 N 0.85 4.32 2.17 6.99 0.00 -0.29 -4.94 105.19 114.28 1xqe n GLY 149 Ca 0.01 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.89 1xqe n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqe n GLY 150 N -0.72 0.60 0.00 -0.02 0.00 -1.16 -4.86 105.19 99.03 1xqe n GLY 150 Ca 0.34 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xqe n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqe n GLY 151 N -2.29 0.35 0.40 -0.02 0.00 -0.44 -4.54 105.19 98.65 1xqe n GLY 151 Ca -0.03 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.20 1xqe n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xqe h LEU 152 N 0.00 -1.69 -0.11 0.99 5.85 -0.99 -0.81 115.31 118.55 1xqe h LEU 152 Ca 0.00 0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1xqe h LEU 152 Cb 0.00 0.77 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1xqe h LEU 152 CO 0.00 -0.31 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.62 1xqe h LEU 153 N -0.16 0.28 -0.70 2.25 3.38 -1.49 -2.56 115.31 116.32 1xqe h LEU 153 Ca 0.19 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.78 1xqe h LEU 153 Cb 0.54 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1xqe h LEU 153 CO -0.79 0.70 0.33 0.00 0.09 0.00 0.00 178.44 178.77 1xqe h ALA 154 N 0.59 0.96 0.00 1.53 0.00 -0.54 -1.47 119.26 120.33 1xqe h ALA 154 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xqe h ALA 154 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1xqe h ALA 154 CO 0.03 -0.09 0.00 0.66 0.00 0.00 0.00 179.25 179.84 1xqe h SER 155 N 0.55 0.00 -0.51 0.00 4.64 -0.89 0.61 113.55 117.95 1xqe h SER 155 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1xqe h SER 155 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xqe h SER 155 CO -0.29 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.08 1xqe n HIS 156 N -2.80 0.67 -1.19 4.77 -0.00 -0.75 -4.96 115.22 110.96 1xqe n HIS 156 Ca 0.01 -0.34 -0.03 0.00 -0.00 0.00 0.00 57.72 57.36 1xqe n HIS 156 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.25 1xqe n HIS 156 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xqe n GLY 157 N 1.48 0.59 3.61 -1.41 0.00 0.21 -4.98 105.19 104.68 1xqe n GLY 157 Ca 0.20 -0.91 -0.45 0.00 0.00 0.00 0.00 46.02 44.86 1xqe n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xqe n ALA 158 N 0.85 -0.04 -2.83 4.61 0.00 -0.63 -4.96 120.51 117.51 1xqe n ALA 158 Ca -0.03 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.44 1xqe n ALA 158 Cb 0.15 -2.07 -0.12 0.00 0.00 0.00 0.00 19.45 17.41 1xqe n ALA 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xqe s LEU 159 N 0.31 3.74 -0.42 0.00 1.43 -1.26 -4.75 118.68 117.73 1xqe s LEU 159 Ca 0.62 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.70 1xqe s LEU 159 Cb -0.71 -2.02 0.18 0.00 0.03 0.00 0.00 46.19 43.67 1xqe s LEU 159 CO 0.58 -0.03 0.60 -0.62 0.23 0.00 0.00 176.35 177.11 1xqe s ASP 160 N 1.61 -1.15 0.08 2.29 -1.08 -1.26 -4.92 116.67 112.25 1xqe s ASP 160 Ca 0.07 -1.01 -0.27 0.00 -0.52 0.00 0.00 52.55 50.82 1xqe s ASP 160 Cb -0.15 1.75 -0.16 0.00 -1.46 0.00 0.00 42.92 42.90 1xqe s ASP 160 CO 0.07 -0.17 1.69 0.15 0.52 0.00 0.00 175.17 177.43 1xqe h PHE 161 N 6.79 -0.34 0.00 -5.34 3.57 -0.66 -3.36 116.94 117.60 1xqe h PHE 161 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xqe h PHE 161 Cb 1.15 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1xqe h PHE 161 CO 0.17 -0.21 0.00 0.00 -2.23 0.00 0.00 178.31 176.04 1xqe n ALA 162 N -2.26 1.64 0.00 2.41 0.00 -0.69 -4.89 120.51 116.72 1xqe n ALA 162 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1xqe n ALA 162 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1xqe n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xqe n GLY 163 N -0.20 1.03 0.32 0.00 0.00 -1.26 -4.84 105.19 100.25 1xqe n GLY 163 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1xqe n GLY 163 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xqe h GLY 164 N 0.00 1.45 0.00 -0.02 0.00 -1.88 -0.25 103.07 102.38 1xqe h GLY 164 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1xqe h GLY 164 CO 0.00 0.01 -0.46 -0.91 0.00 0.00 0.00 176.54 175.18 1xqe h THR 165 N 0.72 0.54 -0.84 4.70 1.35 -1.95 -0.92 112.91 116.51 1xqe h THR 165 Ca 0.47 -1.52 0.02 0.00 -0.55 0.00 0.00 66.41 64.83 1xqe h THR 165 Cb 0.62 1.14 -0.05 0.00 -1.73 0.00 0.00 68.15 68.13 1xqe h THR 165 CO -0.34 0.18 0.55 0.58 -0.25 0.00 0.00 175.52 176.24 1xqe h VAL 166 N -1.00 1.17 0.00 6.82 2.07 -1.90 -1.97 116.25 121.44 1xqe h VAL 166 Ca -0.08 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1xqe h VAL 166 Cb 0.65 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1xqe h VAL 166 CO -0.05 0.20 -0.60 0.52 0.02 0.00 0.00 177.57 177.66 1xqe n VAL 167 N -4.54 1.08 -0.03 2.57 0.31 -0.17 -4.56 118.33 112.99 1xqe n VAL 167 Ca 0.10 0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.56 1xqe n VAL 167 Cb 0.06 -2.14 -0.10 0.00 -0.91 0.00 0.00 33.84 30.75 1xqe n VAL 167 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1xqe h HIS 168 N -0.73 -0.04 -0.35 3.52 3.86 -1.30 -2.01 115.15 118.09 1xqe h HIS 168 Ca 0.00 -0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1xqe h HIS 168 Cb 0.60 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 1xqe h HIS 168 CO -0.26 0.65 -0.44 0.82 0.86 0.00 0.00 177.93 179.56 1xqe h ILE 169 N -0.86 1.27 0.03 2.45 2.04 -1.21 -0.81 117.51 120.43 1xqe h ILE 169 Ca -0.00 -1.62 0.03 0.00 1.00 0.00 0.00 64.86 64.27 1xqe h ILE 169 Cb 0.71 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1xqe h ILE 169 CO 0.01 0.54 -0.40 -1.13 0.00 0.00 0.00 178.15 177.17 1xqe h ASN 170 N 0.73 -1.20 -0.50 1.72 -1.24 -1.43 -2.04 115.58 111.63 1xqe h ASN 170 Ca 0.04 0.14 -0.06 0.00 0.71 0.00 0.00 56.30 57.14 1xqe h ASN 170 Cb 1.04 0.46 -0.02 0.00 0.73 0.00 0.00 38.32 40.54 1xqe h ASN 170 CO 0.10 -0.45 0.08 0.00 -1.29 0.00 0.00 177.43 175.87 1xqe h ALA 171 N -0.01 0.66 -0.80 1.57 0.00 -1.37 -2.72 119.26 116.59 1xqe h ALA 171 Ca 0.04 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xqe h ALA 171 Cb 0.64 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1xqe h ALA 171 CO -0.29 0.40 0.47 0.00 0.00 0.00 0.00 179.25 179.84 1xqe h ALA 172 N 0.97 1.10 -0.14 0.00 0.00 -0.99 -0.01 119.26 120.19 1xqe h ALA 172 Ca 0.15 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1xqe h ALA 172 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xqe h ALA 172 CO 0.01 0.16 -0.48 0.82 0.00 0.00 0.00 179.25 179.76 1xqe h ILE 173 N 0.84 1.34 -0.92 0.00 1.08 -1.36 -0.80 117.51 117.69 1xqe h ILE 173 Ca 0.36 -1.76 0.06 0.00 -0.39 0.00 0.00 64.86 63.13 1xqe h ILE 173 Cb 0.24 2.05 -0.06 0.00 -3.07 0.00 0.00 36.82 35.98 1xqe h ILE 173 CO -0.20 0.54 0.59 0.00 -0.69 0.00 0.00 178.15 178.39 1xqe h ALA 174 N 0.53 1.26 -0.29 1.87 0.00 -1.26 0.35 119.26 121.72 1xqe h ALA 174 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xqe h ALA 174 Cb 1.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xqe h ALA 174 CO 0.10 0.38 0.09 0.78 0.00 0.00 0.00 179.25 180.61 1xqe h GLY 175 N 1.09 0.48 1.07 0.00 0.00 -0.83 -1.71 103.07 103.16 1xqe h GLY 175 Ca 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1xqe h GLY 175 CO -0.16 0.27 0.54 1.41 0.00 0.00 0.00 176.54 178.60 1xqe h LEU 176 N 0.31 1.09 -0.47 3.11 3.38 -0.77 0.26 115.31 122.22 1xqe h LEU 176 Ca 0.09 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1xqe h LEU 176 Cb 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1xqe h LEU 176 CO -0.00 0.84 -0.05 0.58 0.09 0.00 0.00 178.44 179.89 1xqe h VAL 177 N 1.25 1.27 0.12 1.22 2.07 -0.80 -1.77 116.25 119.61 1xqe h VAL 177 Ca 0.32 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1xqe h VAL 177 Cb -0.04 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xqe h VAL 177 CO -0.06 0.40 -0.06 1.23 0.02 0.00 0.00 177.57 179.10 1xqe h GLY 178 N 0.71 -0.17 0.05 2.17 0.00 -1.14 -1.62 103.07 103.08 1xqe h GLY 178 Ca 0.13 0.06 0.19 0.00 0.00 0.00 0.00 47.33 47.71 1xqe h GLY 178 CO 0.03 -0.06 0.50 0.00 0.00 0.00 0.00 176.54 177.01 1xqe h ALA 179 N 0.47 1.49 -0.27 3.60 0.00 -0.92 0.46 119.26 124.08 1xqe h ALA 179 Ca -0.02 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1xqe h ALA 179 Cb 0.31 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xqe h ALA 179 CO 0.03 -0.16 -0.21 -0.92 0.00 0.00 0.00 179.25 177.99 1xqe h TYR 180 N 0.61 0.73 -0.25 0.00 3.20 -1.11 -1.34 116.97 118.81 1xqe h TYR 180 Ca 0.54 -0.20 -0.17 0.00 3.14 0.00 0.00 58.73 62.04 1xqe h TYR 180 Cb 0.89 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1xqe h TYR 180 CO -0.07 0.90 -0.52 -0.07 -1.64 0.00 0.00 178.16 176.77 1xqe h LEU 181 N 0.35 0.79 -0.26 2.82 3.38 -0.80 -3.24 115.31 118.35 1xqe h LEU 181 Ca 0.05 -0.41 -0.21 0.00 0.09 0.00 0.00 57.88 57.40 1xqe h LEU 181 Cb 0.75 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1xqe h LEU 181 CO 0.05 1.16 -0.82 0.40 0.09 0.00 0.00 178.44 179.33 1xqe h ILE 182 N 0.56 1.36 0.00 1.22 2.04 -0.95 -3.50 117.51 118.23 1xqe h ILE 182 Ca 0.02 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.68 1xqe h ILE 182 Cb 1.09 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1xqe h ILE 182 CO 0.11 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.54 1xqe n GLY 183 N 0.73 1.53 3.11 5.37 0.00 -0.51 -4.96 105.19 110.46 1xqe n GLY 183 Ca -0.06 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1xqe n GLY 183 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xqe s PRO 195 N -0.90 2.65 0.27 1.61 0.02 -1.26 -4.99 135.00 132.40 1xqe s PRO 195 Ca 0.00 -0.72 0.14 0.00 0.02 0.00 0.00 61.00 60.45 1xqe s PRO 195 Cb 0.00 -2.19 0.15 0.00 0.02 0.00 0.00 34.50 32.48 1xqe s PRO 195 CO 0.00 -0.05 1.48 1.12 -0.33 0.00 0.00 177.00 179.22 1xqe h HIS 196 N 7.41 0.00 -1.91 6.54 2.07 -1.66 -3.43 115.15 124.17 1xqe h HIS 196 Ca -0.32 0.00 -0.41 0.00 -2.85 0.00 0.00 60.37 56.78 1xqe h HIS 196 Cb 1.18 0.00 -0.31 0.00 2.57 0.00 0.00 27.41 30.85 1xqe h HIS 196 CO 0.47 0.56 -0.76 1.21 -3.07 0.00 0.00 177.93 176.34 1xqe s ASN 197 N -6.50 0.72 0.22 3.10 3.84 -0.77 -5.02 114.94 110.54 1xqe s ASN 197 Ca 0.03 -2.21 0.04 0.00 0.21 0.00 0.00 52.86 50.93 1xqe s ASN 197 Cb 0.09 0.45 0.20 0.00 -0.55 0.00 0.00 41.25 41.44 1xqe s ASN 197 CO 0.74 -0.18 1.52 -0.07 -2.79 0.00 0.00 177.10 176.33 1xqe h LEU 198 N 6.05 0.26 -1.56 3.21 3.38 -1.83 -2.21 115.31 122.60 1xqe h LEU 198 Ca 0.14 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xqe h LEU 198 Cb 1.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1xqe h LEU 198 CO 0.22 0.85 0.31 -0.65 0.09 0.00 0.00 178.44 179.26 1xqe h PRO 199 N 0.16 0.58 -0.42 1.13 0.11 -1.95 0.29 132.00 131.89 1xqe h PRO 199 Ca -0.01 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 1xqe h PRO 199 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xqe h PRO 199 CO 0.10 0.39 -0.02 1.98 -0.21 0.00 0.00 178.00 180.24 1xqe h MET 200 N 0.60 0.76 -0.48 1.05 1.85 -1.80 -1.37 114.93 115.55 1xqe h MET 200 Ca 0.17 -0.25 0.06 0.00 -0.61 0.00 0.00 59.70 59.07 1xqe h MET 200 Cb -0.03 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 31.88 1xqe h MET 200 CO -0.04 0.85 0.20 0.28 -0.40 0.00 0.00 176.91 177.80 1xqe h VAL 201 N 0.60 0.89 -0.53 -5.77 2.07 -0.88 -0.35 116.25 112.28 1xqe h VAL 201 Ca 0.12 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1xqe h VAL 201 Cb 0.52 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1xqe h VAL 201 CO 0.03 0.07 0.29 0.15 0.02 0.00 0.00 177.57 178.13 1xqe h PHE 202 N 0.40 0.72 -0.57 1.57 3.57 -0.83 -0.00 116.94 121.79 1xqe h PHE 202 Ca 0.22 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 1xqe h PHE 202 Cb 0.19 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1xqe h PHE 202 CO -0.13 0.53 0.21 1.15 -2.23 0.00 0.00 178.31 177.83 1xqe h THR 203 N 0.71 1.23 -0.57 4.41 2.02 -0.90 0.20 112.91 120.01 1xqe h THR 203 Ca 0.19 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1xqe h THR 203 Cb 0.04 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1xqe h THR 203 CO -0.03 0.28 0.10 1.23 0.37 0.00 0.00 175.52 177.47 1xqe h GLY 204 N 0.80 1.02 0.96 2.16 0.00 -0.73 -1.82 103.07 105.45 1xqe h GLY 204 Ca 0.19 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1xqe h GLY 204 CO -0.01 0.63 0.19 -0.84 0.00 0.00 0.00 176.54 176.50 1xqe h THR 205 N 0.84 1.15 -0.63 4.70 2.02 -0.74 -0.49 112.91 119.76 1xqe h THR 205 Ca 0.17 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1xqe h THR 205 Cb 0.41 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1xqe h THR 205 CO 0.01 0.15 0.38 0.00 0.37 0.00 0.00 175.52 176.44 1xqe h ALA 206 N 1.05 0.83 -0.43 6.16 0.00 -0.84 0.97 119.26 127.00 1xqe h ALA 206 Ca 0.12 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1xqe h ALA 206 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xqe h ALA 206 CO -0.02 0.12 0.00 0.82 0.00 0.00 0.00 179.25 180.17 1xqe h ILE 207 N 0.74 1.26 -0.72 0.00 2.04 -1.12 -1.05 117.51 118.67 1xqe h ILE 207 Ca 0.26 -1.03 0.08 0.00 1.00 0.00 0.00 64.86 65.17 1xqe h ILE 207 Cb 0.05 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 1xqe h ILE 207 CO -0.12 0.35 0.39 -0.07 0.00 0.00 0.00 178.15 178.71 1xqe h LEU 208 N 0.60 0.56 0.29 1.44 3.38 -0.79 -0.10 115.31 120.69 1xqe h LEU 208 Ca 0.12 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xqe h LEU 208 Cb 0.49 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1xqe h LEU 208 CO 0.02 0.34 -0.17 0.22 0.09 0.00 0.00 178.44 178.94 1xqe h TYR 209 N 0.69 -0.44 0.06 1.13 3.20 -0.40 -0.66 116.97 120.55 1xqe h TYR 209 Ca 0.34 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 1xqe h TYR 209 Cb 0.27 0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1xqe h TYR 209 CO -0.08 -0.26 -0.03 0.82 -1.64 0.00 0.00 178.16 176.97 1xqe h ILE 210 N -0.44 1.09 -1.05 1.81 1.08 -1.04 -2.05 117.51 116.92 1xqe h ILE 210 Ca -0.03 -0.48 0.27 0.00 -0.39 0.00 0.00 64.86 64.23 1xqe h ILE 210 Cb 0.35 1.40 -0.09 0.00 -3.07 0.00 0.00 36.82 35.42 1xqe h ILE 210 CO 0.04 0.12 0.69 1.23 -0.69 0.00 0.00 178.15 179.54 1xqe h GLY 211 N -0.29 1.02 2.00 5.37 0.00 -1.03 -2.49 103.07 107.65 1xqe h GLY 211 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1xqe h GLY 211 CO 0.01 -0.11 0.00 -0.25 0.00 0.00 0.00 176.54 176.19 1xqe h TRP 212 N 0.33 0.00 -0.71 5.60 2.91 -0.35 -0.69 115.95 123.05 1xqe h TRP 212 Ca 0.58 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.55 1xqe h TRP 212 Cb 1.59 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 30.21 1xqe h TRP 212 CO -0.00 0.00 0.25 0.74 -1.03 0.00 0.00 178.44 178.40 1xqe h PHE 213 N 0.00 1.09 -0.34 2.65 0.04 -1.48 0.22 116.94 119.12 1xqe h PHE 213 Ca 0.00 -0.09 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 1xqe h PHE 213 Cb 0.34 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1xqe h PHE 213 CO 0.00 0.85 -0.26 0.78 -0.60 0.00 0.00 178.31 179.07 1xqe h GLY 214 N 1.09 0.75 0.80 -1.45 0.00 -1.30 -0.22 103.07 102.74 1xqe h GLY 214 Ca 0.23 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1xqe h GLY 214 CO -0.01 0.60 -0.30 -2.75 0.00 0.00 0.00 176.54 174.07 1xqe h PHE 215 N 0.60 -0.79 0.30 5.60 3.04 -1.16 -0.94 116.94 123.59 1xqe h PHE 215 Ca 0.08 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1xqe h PHE 215 Cb 0.76 0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.53 1xqe h PHE 215 CO 0.04 -0.45 -0.14 -0.91 -2.02 0.00 0.00 178.31 174.82 1xqe h ASN 216 N -1.06 -0.34 -0.38 0.41 4.21 -0.62 -3.12 115.58 114.68 1xqe h ASN 216 Ca -0.09 -0.15 -0.10 0.00 1.21 0.00 0.00 56.30 57.18 1xqe h ASN 216 Cb 0.70 0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.97 1xqe h ASN 216 CO 0.14 0.13 -0.12 0.00 -1.29 0.00 0.00 177.43 176.29 1xqe h ALA 217 N -0.74 0.93 0.00 -0.83 0.00 -1.18 -2.54 119.26 114.89 1xqe h ALA 217 Ca -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xqe h ALA 217 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xqe h ALA 217 CO 0.07 0.62 -0.02 0.78 0.00 0.00 0.00 179.25 180.70 1xqe h GLY 218 N 0.97 0.00 2.00 0.00 0.00 -1.22 -2.39 103.07 102.43 1xqe h GLY 218 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1xqe h GLY 218 CO 0.04 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.02 1xqe n SER 219 N -4.24 0.45 0.24 0.19 7.64 -0.96 -0.24 113.62 116.71 1xqe n SER 219 Ca -0.03 0.65 0.11 0.00 1.01 0.00 0.00 58.87 60.62 1xqe n SER 219 Cb 0.11 -0.73 0.57 0.00 -1.01 0.00 0.00 64.21 63.14 1xqe n SER 219 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xqe h ALA 220 N 2.17 1.10 0.00 -0.43 0.00 -1.58 -3.47 119.26 117.05 1xqe h ALA 220 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xqe h ALA 220 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xqe h ALA 220 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1xqe n GLY 221 N -0.15 0.85 3.52 0.00 0.00 0.67 -4.94 105.19 105.14 1xqe n GLY 221 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1xqe n GLY 221 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xqe s THR 222 N -3.39 0.00 -1.29 2.61 -1.32 -1.26 -4.62 115.64 106.36 1xqe s THR 222 Ca 0.00 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 1xqe s THR 222 Cb 0.00 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 1xqe s THR 222 CO 0.00 0.00 2.16 0.00 -2.21 0.00 0.00 174.62 174.57 1xqe n ALA 223 N 0.38 6.22 -2.67 11.08 0.00 -1.26 -4.39 120.51 129.87 1xqe n ALA 223 Ca -0.13 -4.21 0.00 0.00 0.00 0.00 0.00 53.44 49.10 1xqe n ALA 223 Cb 0.60 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1xqe n ALA 223 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1xqe n ASN 224 N 2.44 0.97 0.23 0.00 6.94 -1.26 -4.98 115.26 119.60 1xqe n ASN 224 Ca 0.53 -0.18 0.14 0.00 -0.02 0.00 0.00 54.58 55.04 1xqe n ASN 224 Cb 0.29 0.00 0.34 0.00 -2.36 0.00 0.00 39.78 38.05 1xqe n ASN 224 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1xqe h GLU 225 N 0.00 0.00 0.13 -3.83 9.09 -1.99 -1.99 114.58 115.99 1xqe h GLU 225 Ca 0.00 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.12 1xqe h GLU 225 Cb 0.00 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.13 1xqe h GLU 225 CO 0.00 0.00 -1.21 0.82 0.05 0.00 0.00 179.01 178.67 1xqe h ILE 226 N 0.00 1.31 -0.39 -1.06 1.08 -1.94 -0.96 117.51 115.55 1xqe h ILE 226 Ca 0.00 -2.47 0.06 0.00 -0.39 0.00 0.00 64.86 62.06 1xqe h ILE 226 Cb 0.83 2.78 -0.05 0.00 -3.07 0.00 0.00 36.82 37.31 1xqe h ILE 226 CO 0.00 0.75 0.09 0.00 -0.69 0.00 0.00 178.15 178.30 1xqe h ALA 227 N 0.25 0.43 -0.66 1.87 0.00 -1.73 0.16 119.26 119.57 1xqe h ALA 227 Ca -0.19 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xqe h ALA 227 Cb 1.90 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.71 1xqe h ALA 227 CO 0.23 -0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.51 1xqe h ALA 228 N 1.28 0.89 -0.10 0.00 0.00 -1.34 0.22 119.26 120.22 1xqe h ALA 228 Ca 0.18 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xqe h ALA 228 Cb 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xqe h ALA 228 CO -0.23 -0.03 -0.01 1.25 0.00 0.00 0.00 179.25 180.22 1xqe h LEU 229 N 0.60 0.19 -1.04 0.00 5.85 -0.79 -1.68 115.31 118.45 1xqe h LEU 229 Ca 0.31 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.78 1xqe h LEU 229 Cb 0.28 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1xqe h LEU 229 CO -0.23 0.49 0.63 0.00 -0.34 0.00 0.00 178.44 178.99 1xqe h ALA 230 N 0.71 1.47 -0.04 1.25 0.00 -0.37 -0.81 119.26 121.47 1xqe h ALA 230 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xqe h ALA 230 Cb 0.40 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xqe h ALA 230 CO 0.01 0.35 0.01 0.35 0.00 0.00 0.00 179.25 179.97 1xqe h PHE 231 N 1.08 0.07 -0.47 0.00 3.04 -0.76 -1.70 116.94 118.20 1xqe h PHE 231 Ca 0.45 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.32 1xqe h PHE 231 Cb 0.30 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1xqe h PHE 231 CO -0.00 0.23 -0.00 0.28 -2.02 0.00 0.00 178.31 176.80 1xqe h VAL 232 N -0.12 1.26 -0.38 1.41 2.07 -0.98 -2.56 116.25 116.96 1xqe h VAL 232 Ca 0.01 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1xqe h VAL 232 Cb 0.20 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1xqe h VAL 232 CO -0.00 0.37 0.17 0.78 0.02 0.00 0.00 177.57 178.91 1xqe h ASN 233 N 0.69 0.46 -0.21 0.57 2.35 -1.15 -1.20 115.58 117.10 1xqe h ASN 233 Ca 0.13 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1xqe h ASN 233 Cb 0.51 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1xqe h ASN 233 CO 0.02 0.41 0.06 0.74 -1.65 0.00 0.00 177.43 177.01 1xqe h THR 234 N 0.52 1.20 -0.06 2.81 2.02 -1.06 0.14 112.91 118.48 1xqe h THR 234 Ca 0.13 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1xqe h THR 234 Cb 0.07 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1xqe h THR 234 CO -0.02 0.20 -0.04 0.58 0.37 0.00 0.00 175.52 176.61 1xqe h VAL 235 N 0.15 0.87 -0.10 3.16 2.07 -1.19 -1.88 116.25 119.33 1xqe h VAL 235 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1xqe h VAL 235 Cb 0.25 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1xqe h VAL 235 CO -0.00 0.00 0.01 0.58 0.02 0.00 0.00 177.57 178.18 1xqe h VAL 236 N -0.05 1.22 -0.35 2.57 2.07 -1.17 -2.04 116.25 118.51 1xqe h VAL 236 Ca 0.04 -0.70 -0.12 0.00 0.82 0.00 0.00 66.70 66.75 1xqe h VAL 236 Cb 0.11 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1xqe h VAL 236 CO -0.09 0.20 -0.27 0.00 0.02 0.00 0.00 177.57 177.43 1xqe h ALA 237 N 0.78 0.88 -0.10 1.67 0.00 -0.65 -0.78 119.26 121.06 1xqe h ALA 237 Ca 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xqe h ALA 237 Cb 0.30 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xqe h ALA 237 CO 0.00 0.63 0.06 1.15 0.00 0.00 0.00 179.25 181.09 1xqe h THR 238 N 0.61 1.09 -0.70 0.00 2.02 -1.31 -1.15 112.91 113.47 1xqe h THR 238 Ca 0.08 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1xqe h THR 238 Cb 0.77 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1xqe h THR 238 CO 0.06 0.08 0.41 0.00 0.37 0.00 0.00 175.52 176.44 1xqe h ALA 239 N 0.96 0.90 -0.62 6.16 0.00 -1.20 -0.77 119.26 124.69 1xqe h ALA 239 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xqe h ALA 239 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1xqe h ALA 239 CO -0.01 0.39 0.04 0.00 0.00 0.00 0.00 179.25 179.67 1xqe h ALA 240 N 1.21 0.90 -0.24 0.00 0.00 -0.99 -2.18 119.26 117.95 1xqe h ALA 240 Ca 0.25 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1xqe h ALA 240 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xqe h ALA 240 CO -0.04 0.66 -0.37 0.00 0.00 0.00 0.00 179.25 179.50 1xqe h ALA 241 N 1.05 0.90 -0.18 0.00 0.00 -0.97 0.21 119.26 120.27 1xqe h ALA 241 Ca 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xqe h ALA 241 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xqe h ALA 241 CO 0.02 0.63 0.10 0.82 0.00 0.00 0.00 179.25 180.82 1xqe h ILE 242 N 0.46 1.12 -0.46 0.00 2.04 -0.98 -0.19 117.51 119.49 1xqe h ILE 242 Ca 0.05 -0.33 -0.12 0.00 1.00 0.00 0.00 64.86 65.46 1xqe h ILE 242 Cb 0.85 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1xqe h ILE 242 CO 0.07 0.11 -0.17 -0.07 0.00 0.00 0.00 178.15 178.10 1xqe h LEU 243 N 0.18 0.95 0.24 1.44 3.38 -1.19 -1.02 115.31 119.28 1xqe h LEU 243 Ca 0.06 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xqe h LEU 243 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1xqe h LEU 243 CO -0.01 1.12 -0.20 1.23 0.09 0.00 0.00 178.44 180.67 1xqe h GLY 244 N 0.77 -0.45 0.78 0.83 0.00 -0.51 -0.13 103.07 104.36 1xqe h GLY 244 Ca 0.11 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.68 1xqe h GLY 244 CO 0.06 -0.19 -0.05 -0.25 0.00 0.00 0.00 176.54 176.11 1xqe h TRP 245 N -0.45 -0.11 -0.56 5.60 2.91 -1.00 -1.44 115.95 120.90 1xqe h TRP 245 Ca -0.01 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 1xqe h TRP 245 Cb 0.40 0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 29.09 1xqe h TRP 245 CO -0.13 -0.07 0.11 0.82 -1.03 0.00 0.00 178.44 178.14 1xqe h ILE 246 N -0.05 1.24 -0.23 2.65 1.08 -1.12 0.86 117.51 121.94 1xqe h ILE 246 Ca 0.05 -0.89 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 1xqe h ILE 246 Cb 0.12 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 1xqe h ILE 246 CO -0.10 0.33 -0.03 0.15 -0.69 0.00 0.00 178.15 177.81 1xqe h PHE 247 N 0.84 0.47 -0.93 1.37 3.57 -0.93 0.17 116.94 121.51 1xqe h PHE 247 Ca 0.18 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1xqe h PHE 247 Cb 0.34 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1xqe h PHE 247 CO 0.02 0.63 0.56 0.78 -2.23 0.00 0.00 178.31 178.06 1xqe h GLY 248 N 0.17 1.36 0.98 2.40 0.00 -0.88 0.26 103.07 107.37 1xqe h GLY 248 Ca 0.06 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 1xqe h GLY 248 CO 0.02 0.55 -0.14 -2.09 0.00 0.00 0.00 176.54 174.88 1xqe h GLU 249 N 1.29 0.76 -0.58 4.80 4.81 -0.75 -1.24 114.58 123.67 1xqe h GLU 249 Ca 0.33 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1xqe h GLU 249 Cb -0.05 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1xqe h GLU 249 CO -0.06 0.93 0.14 2.35 -0.73 0.00 0.00 179.01 181.63 1xqe h TRP 250 N 0.56 0.92 -0.43 0.92 2.91 -0.25 0.49 115.95 121.08 1xqe h TRP 250 Ca 0.09 -0.09 -0.14 0.00 1.13 0.00 0.00 58.89 59.88 1xqe h TRP 250 Cb 0.67 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.04 1xqe h TRP 250 CO 0.05 0.77 -0.28 0.00 -1.03 0.00 0.00 178.44 177.95 1xqe h ALA 251 N 1.29 0.69 0.00 2.65 0.00 -0.40 -2.84 119.26 120.66 1xqe h ALA 251 Ca 0.19 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1xqe h ALA 251 Cb 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xqe h ALA 251 CO -0.00 0.67 -0.28 -0.07 0.00 0.00 0.00 179.25 179.57 1xqe h LEU 252 N 0.78 0.00 0.00 0.00 4.07 -0.90 -3.41 115.31 115.85 1xqe h LEU 252 Ca 0.09 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1xqe h LEU 252 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1xqe h LEU 252 CO 0.08 0.74 -0.65 0.54 -1.08 0.00 0.00 178.44 178.07 1xqe n ARG 253 N -4.67 0.23 -0.11 1.13 5.12 0.17 -4.95 116.66 113.58 1xqe n ARG 253 Ca -0.07 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1xqe n ARG 253 Cb 0.21 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 1xqe n ARG 253 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xqe n GLY 254 N 1.37 1.59 3.40 -0.13 0.00 -1.07 -5.01 105.19 105.35 1xqe n GLY 254 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1xqe n GLY 254 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqe s LYS 255 N -0.41 0.76 0.59 1.61 -2.85 -1.26 -4.93 119.74 113.25 1xqe s LYS 255 Ca 0.00 0.34 -0.15 0.00 -1.00 0.00 0.00 55.97 55.16 1xqe s LYS 255 Cb 0.00 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1xqe s LYS 255 CO 0.00 -0.18 1.04 -1.25 0.10 0.00 0.00 175.35 175.06 1xqe s PRO 256 N -0.59 3.46 0.21 1.78 0.04 -1.26 -4.26 135.00 134.37 1xqe s PRO 256 Ca -0.07 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.09 1xqe s PRO 256 Cb -0.03 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1xqe s PRO 256 CO 0.04 -0.69 -0.04 -1.54 0.04 0.00 0.00 177.00 174.82 1xqe s SER 257 N -3.07 1.93 0.11 6.66 1.04 -1.26 -5.05 113.70 114.06 1xqe s SER 257 Ca 0.61 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.74 1xqe s SER 257 Cb -0.14 -0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 1xqe s SER 257 CO 0.39 -0.44 1.50 0.25 0.98 0.00 0.00 173.24 175.91 1xqe h LEU 258 N 2.54 0.74 -0.97 2.42 5.85 -1.99 -1.69 115.31 122.21 1xqe h LEU 258 Ca -0.38 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 57.93 1xqe h LEU 258 Cb 1.22 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1xqe h LEU 258 CO 0.64 0.97 0.47 0.25 -0.34 0.00 0.00 178.44 180.43 1xqe h LEU 259 N 0.51 1.06 0.14 2.25 5.85 -1.97 0.06 115.31 123.22 1xqe h LEU 259 Ca 0.08 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xqe h LEU 259 Cb 0.67 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1xqe h LEU 259 CO 0.05 0.85 -0.19 1.23 -0.34 0.00 0.00 178.44 180.04 1xqe h GLY 260 N 1.21 -0.36 0.55 3.75 0.00 -1.95 0.13 103.07 106.40 1xqe h GLY 260 Ca 0.30 0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.91 1xqe h GLY 260 CO -0.05 -0.18 0.22 0.00 0.00 0.00 0.00 176.54 176.53 1xqe h ALA 261 N 0.42 0.68 -0.38 3.60 0.00 -0.94 0.12 119.26 122.76 1xqe h ALA 261 Ca 0.02 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xqe h ALA 261 Cb 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xqe h ALA 261 CO -0.08 -0.17 -0.24 0.00 0.00 0.00 0.00 179.25 178.77 1xqe h SER 263 N 0.67 0.89 -0.51 0.00 0.02 -0.37 -2.20 113.55 112.04 1xqe h SER 263 Ca 0.09 -0.33 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1xqe h SER 263 Cb 0.75 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1xqe h SER 263 CO 0.06 1.08 0.29 1.23 -1.14 0.00 0.00 176.83 178.35 1xqe h GLY 264 N 0.93 0.72 0.87 -3.77 0.00 -0.59 -0.28 103.07 100.95 1xqe h GLY 264 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1xqe h GLY 264 CO 0.06 0.16 -0.11 0.00 0.00 0.00 0.00 176.54 176.66 1xqe h ALA 265 N 1.24 -0.23 -0.82 3.60 0.00 -1.22 -1.48 119.26 120.36 1xqe h ALA 265 Ca 0.21 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1xqe h ALA 265 Cb 0.06 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1xqe h ALA 265 CO -0.12 -0.64 0.50 0.82 0.00 0.00 0.00 179.25 179.82 1xqe h ILE 266 N -0.25 1.03 -0.20 0.00 1.08 -1.20 -1.79 117.51 116.19 1xqe h ILE 266 Ca 0.00 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1xqe h ILE 266 Cb 0.24 0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 33.99 1xqe h ILE 266 CO -0.02 0.17 -0.01 0.00 -0.69 0.00 0.00 178.15 177.59 1xqe h ALA 267 N 1.39 0.16 -0.38 1.87 0.00 -0.67 0.30 119.26 121.94 1xqe h ALA 267 Ca 0.36 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1xqe h ALA 267 Cb 0.17 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1xqe h ALA 267 CO -0.17 -0.44 0.23 0.78 0.00 0.00 0.00 179.25 179.64 1xqe h GLY 268 N 0.05 0.55 0.99 0.00 0.00 -1.15 0.17 103.07 103.67 1xqe h GLY 268 Ca 0.09 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.20 1xqe h GLY 268 CO -0.17 0.22 0.30 1.41 0.00 0.00 0.00 176.54 178.30 1xqe h LEU 269 N 0.49 0.51 -0.04 3.11 3.38 -0.99 -0.89 115.31 120.89 1xqe h LEU 269 Ca 0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xqe h LEU 269 Cb 0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1xqe h LEU 269 CO -0.03 0.37 0.01 0.58 0.09 0.00 0.00 178.44 179.47 1xqe h VAL 270 N 0.61 1.18 -0.63 1.22 2.07 -0.85 -2.65 116.25 117.18 1xqe h VAL 270 Ca 0.17 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.24 1xqe h VAL 270 Cb -0.06 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1xqe h VAL 270 CO -0.04 0.15 0.29 1.23 0.02 0.00 0.00 177.57 179.21 1xqe h GLY 271 N -0.14 0.92 1.90 2.17 0.00 -0.50 -2.61 103.07 104.81 1xqe h GLY 271 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1xqe h GLY 271 CO -0.00 0.04 -0.06 1.55 0.00 0.00 0.00 176.54 178.07 1xqe n VAL 272 N -4.92 0.29 0.06 4.60 3.14 -0.35 -4.14 118.33 117.01 1xqe n VAL 272 Ca 0.09 -0.15 -0.11 0.00 -2.96 0.00 0.00 64.34 61.21 1xqe n VAL 272 Cb 0.25 -0.48 -0.04 0.00 -1.06 0.00 0.00 33.84 32.50 1xqe n VAL 272 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1xqe h THR 273 N 0.00 0.52 0.00 1.55 2.02 -1.09 0.28 112.91 116.20 1xqe h THR 273 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1xqe h THR 273 Cb 0.62 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1xqe h THR 273 CO 0.00 0.00 -0.10 1.55 0.37 0.00 0.00 175.52 177.34 1xqe h PRO 274 N -0.32 0.00 0.00 6.66 0.13 -1.75 -1.84 132.00 134.87 1xqe h PRO 274 Ca 0.06 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.01 1xqe h PRO 274 Cb 0.40 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.50 1xqe h PRO 274 CO -0.19 0.10 -2.15 0.00 -0.23 0.00 0.00 178.00 175.53 1xqe n ALA 275 N -2.18 2.15 -0.10 -0.56 0.00 -0.49 -0.12 120.51 119.22 1xqe n ALA 275 Ca -0.00 -0.91 0.14 0.00 0.00 0.00 0.00 53.44 52.67 1xqe n ALA 275 Cb 0.31 -0.49 0.53 0.00 0.00 0.00 0.00 19.45 19.79 1xqe n ALA 275 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xqe n GLY 277 N -1.54 0.26 0.00 0.00 0.00 -1.26 -3.46 105.19 99.19 1xqe n GLY 277 Ca 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 46.02 45.69 1xqe n GLY 277 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xqe n TYR 278 N 0.35 0.00 -4.08 1.61 4.01 0.63 -4.88 117.16 114.81 1xqe n TYR 278 Ca 0.17 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.68 1xqe n TYR 278 Cb 0.36 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.31 1xqe n TYR 278 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1xqe s ILE 279 N -1.69 2.97 0.61 -0.72 -4.36 -1.04 -0.83 121.20 116.14 1xqe s ILE 279 Ca -0.00 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.73 1xqe s ILE 279 Cb 0.01 -2.98 0.07 0.00 1.25 0.00 0.00 42.46 40.81 1xqe s ILE 279 CO 0.07 -0.16 0.84 -0.83 0.24 0.00 0.00 174.94 175.10 1xqe s GLY 280 N -3.86 1.80 0.46 6.27 0.00 -1.10 -4.76 107.32 106.12 1xqe s GLY 280 Ca 0.38 -1.60 0.19 0.00 0.00 0.00 0.00 44.72 43.69 1xqe s GLY 280 CO 0.23 -1.19 1.98 -0.39 0.00 0.00 0.00 173.10 173.73 1xqe h VAL 281 N -0.10 0.95 -0.65 1.40 -1.51 -1.93 -0.94 116.25 113.46 1xqe h VAL 281 Ca -0.38 -0.74 -0.07 0.00 -1.23 0.00 0.00 66.70 64.28 1xqe h VAL 281 Cb 1.28 1.42 -0.03 0.00 -2.13 0.00 0.00 31.29 31.84 1xqe h VAL 281 CO 0.46 0.20 0.12 1.23 -1.23 0.00 0.00 177.57 178.34 1xqe h GLY 282 N 0.80 1.14 1.33 5.19 0.00 -1.95 -1.96 103.07 107.63 1xqe h GLY 282 Ca -0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.43 1xqe h GLY 282 CO 0.03 0.70 -0.38 -1.33 0.00 0.00 0.00 176.54 175.56 1xqe h GLY 283 N 0.98 0.80 1.36 4.60 0.00 -1.57 -2.66 103.07 106.57 1xqe h GLY 283 Ca 0.20 -0.79 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 1xqe h GLY 283 CO 0.01 0.72 0.12 0.00 0.00 0.00 0.00 176.54 177.38 1xqe h ALA 284 N 0.97 1.22 -0.03 3.60 0.00 -1.09 0.19 119.26 124.13 1xqe h ALA 284 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xqe h ALA 284 Cb 0.92 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1xqe h ALA 284 CO 0.08 0.54 0.01 1.25 0.00 0.00 0.00 179.25 181.13 1xqe h LEU 285 N 0.78 0.04 -0.25 0.00 6.46 -1.30 0.11 115.31 121.15 1xqe h LEU 285 Ca 0.17 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1xqe h LEU 285 Cb 0.30 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1xqe h LEU 285 CO -0.00 0.25 0.10 0.40 -0.62 0.00 0.00 178.44 178.57 1xqe h ILE 286 N -0.17 1.17 -0.65 4.05 2.04 -1.33 -0.29 117.51 122.32 1xqe h ILE 286 Ca 0.01 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1xqe h ILE 286 Cb 0.23 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1xqe h ILE 286 CO 0.00 0.18 0.41 0.40 0.00 0.00 0.00 178.15 179.13 1xqe h ILE 287 N 0.25 1.09 0.35 -0.67 2.04 -0.95 -1.02 117.51 118.60 1xqe h ILE 287 Ca 0.08 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1xqe h ILE 287 Cb 0.18 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1xqe h ILE 287 CO -0.01 0.15 -0.49 1.23 0.00 0.00 0.00 178.15 179.03 1xqe h GLY 288 N 0.80 -1.22 0.31 5.37 0.00 -0.43 0.20 103.07 108.09 1xqe h GLY 288 Ca 0.26 0.60 0.07 0.00 0.00 0.00 0.00 47.33 48.26 1xqe h GLY 288 CO -0.10 -0.34 -0.06 -2.08 0.00 0.00 0.00 176.54 173.96 1xqe h VAL 289 N -0.88 0.66 -0.57 4.60 2.07 -0.95 -0.91 116.25 120.28 1xqe h VAL 289 Ca -0.04 -0.01 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 1xqe h VAL 289 Cb 0.80 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1xqe h VAL 289 CO -0.14 0.01 -0.03 0.58 0.02 0.00 0.00 177.57 178.01 1xqe h VAL 290 N 0.03 1.26 -0.61 2.57 2.07 -1.02 -1.72 116.25 118.83 1xqe h VAL 290 Ca 0.18 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.45 1xqe h VAL 290 Cb 0.27 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1xqe h VAL 290 CO -0.35 0.42 0.04 0.00 0.02 0.00 0.00 177.57 177.70 1xqe h ALA 291 N 1.04 0.82 -0.44 1.67 0.00 -0.25 0.14 119.26 122.24 1xqe h ALA 291 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xqe h ALA 291 Cb 0.57 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xqe h ALA 291 CO 0.03 0.63 0.13 0.78 0.00 0.00 0.00 179.25 180.82 1xqe h GLY 292 N 0.95 0.74 1.43 0.00 0.00 -0.90 0.16 103.07 105.46 1xqe h GLY 292 Ca 0.18 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.88 1xqe h GLY 292 CO 0.02 0.42 -0.62 1.41 0.00 0.00 0.00 176.54 177.77 1xqe h LEU 293 N 0.57 0.67 -0.14 3.11 3.38 -1.23 -1.75 115.31 119.92 1xqe h LEU 293 Ca 0.14 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xqe h LEU 293 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xqe h LEU 293 CO -0.00 1.12 0.08 0.00 0.09 0.00 0.00 178.44 179.73 1xqe h ALA 294 N 0.88 0.18 -0.42 1.53 0.00 -0.66 -0.92 119.26 119.85 1xqe h ALA 294 Ca -0.01 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1xqe h ALA 294 Cb 1.19 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1xqe h ALA 294 CO 0.12 -0.31 0.13 0.78 0.00 0.00 0.00 179.25 179.97 1xqe h GLY 295 N 0.15 0.53 0.99 0.00 0.00 -0.66 0.24 103.07 104.31 1xqe h GLY 295 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1xqe h GLY 295 CO -0.01 0.00 0.32 -2.00 0.00 0.00 0.00 176.54 174.85 1xqe h LEU 296 N 0.28 0.72 -0.07 3.11 5.85 -1.23 -1.62 115.31 122.35 1xqe h LEU 296 Ca 0.20 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1xqe h LEU 296 Cb 0.21 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1xqe h LEU 296 CO -0.22 0.61 0.01 -0.25 -0.34 0.00 0.00 178.44 178.25 1xqe h TRP 297 N 0.78 0.01 -0.01 1.25 7.01 -0.89 -2.22 115.95 121.88 1xqe h TRP 297 Ca 0.20 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.22 1xqe h TRP 297 Cb 0.05 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.08 1xqe h TRP 297 CO -0.01 0.00 -0.31 0.78 -2.79 0.00 0.00 178.44 176.11 1xqe h GLY 298 N 0.04 -1.25 2.00 2.65 0.00 -0.16 -1.25 103.07 105.10 1xqe h GLY 298 Ca 0.03 0.64 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 1xqe h GLY 298 CO -0.05 -0.36 -0.05 -0.39 0.00 0.00 0.00 176.54 175.69 1xqe h VAL 299 N -0.38 0.52 -0.12 4.60 -1.51 -1.35 -2.62 116.25 115.39 1xqe h VAL 299 Ca 0.01 -0.22 -0.06 0.00 -1.23 0.00 0.00 66.70 65.20 1xqe h VAL 299 Cb 0.41 1.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1xqe h VAL 299 CO -0.21 0.05 -0.15 0.74 -1.23 0.00 0.00 177.57 176.77 1xqe h THR 300 N 0.00 1.37 0.00 7.19 2.02 -0.75 -3.52 112.91 119.22 1xqe h THR 300 Ca -0.00 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1xqe h THR 300 Cb 0.14 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1xqe h THR 300 CO 0.01 0.39 0.00 0.23 0.37 0.00 0.00 175.52 176.52 1xqe n MET 301 N -4.57 0.00 -4.03 6.66 2.81 -0.53 -5.11 117.12 112.34 1xqe n MET 301 Ca -0.07 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.53 1xqe n MET 301 Cb 0.37 -0.01 -0.06 0.00 -0.71 0.00 0.00 33.22 32.82 1xqe n MET 301 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1xqe s ASP 309 N -1.02 5.70 -0.30 7.83 -4.77 -1.26 -4.94 116.67 117.92 1xqe s ASP 309 Ca 0.00 0.00 0.02 0.00 -3.30 0.00 0.00 52.55 49.27 1xqe s ASP 309 Cb 0.00 -1.57 0.09 0.00 -1.09 0.00 0.00 42.92 40.35 1xqe s ASP 309 CO 0.00 0.13 0.02 -0.62 0.70 0.00 0.00 175.17 175.40 1xqe s ASP 310 N -2.70 4.34 -0.06 2.11 2.15 -1.26 -4.65 116.67 116.61 1xqe s ASP 310 Ca 0.31 -1.71 -0.30 0.00 0.43 0.00 0.00 52.55 51.28 1xqe s ASP 310 Cb -0.12 -1.34 -0.04 0.00 -0.30 0.00 0.00 42.92 41.12 1xqe s ASP 310 CO 0.24 -0.33 1.36 -2.16 -0.17 0.00 0.00 175.17 174.11 1xqe s PRO 311 N 1.20 4.27 -1.33 4.34 0.04 -1.26 -1.20 135.00 141.06 1xqe s PRO 311 Ca 0.04 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1xqe s PRO 311 Cb -0.19 -3.67 0.09 0.00 0.04 0.00 0.00 34.50 30.77 1xqe s PRO 311 CO -0.11 -0.62 0.54 0.00 0.04 0.00 0.00 177.00 176.85 1xqe n ASP 313 N -2.34 -2.51 -0.06 0.00 8.00 -0.34 -4.88 116.55 114.43 1xqe n ASP 313 Ca 0.00 -1.02 -0.08 0.00 0.71 0.00 0.00 54.79 54.40 1xqe n ASP 313 Cb 0.53 -2.11 -0.02 0.00 -0.02 0.00 0.00 41.12 39.50 1xqe n ASP 313 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1xqe h VAL 314 N -1.08 0.88 -0.05 2.53 3.04 -1.58 -2.90 116.25 117.08 1xqe h VAL 314 Ca -0.56 -0.04 -0.18 0.00 -1.01 0.00 0.00 66.70 64.91 1xqe h VAL 314 Cb 1.36 0.74 0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1xqe h VAL 314 CO 0.79 0.02 -0.67 0.15 -1.01 0.00 0.00 177.57 176.86 1xqe h PHE 315 N 0.13 0.76 -0.90 3.17 3.57 -1.85 0.25 116.94 122.07 1xqe h PHE 315 Ca 0.11 -0.38 0.25 0.00 3.53 0.00 0.00 57.97 61.48 1xqe h PHE 315 Cb 0.12 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1xqe h PHE 315 CO -0.16 1.19 0.64 0.78 -2.23 0.00 0.00 178.31 178.53 1xqe h GLY 316 N 0.12 0.13 0.00 2.40 0.00 -1.88 0.11 103.07 103.94 1xqe h GLY 316 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1xqe h GLY 316 CO 0.13 -0.01 -0.55 -0.62 0.00 0.00 0.00 176.54 175.50 1xqe n VAL 317 N -4.30 1.24 -0.18 4.60 0.31 -1.10 -4.26 118.33 114.64 1xqe n VAL 317 Ca 0.19 0.25 -0.09 0.00 -0.01 0.00 0.00 64.34 64.68 1xqe n VAL 317 Cb 0.93 -1.98 0.04 0.00 -0.91 0.00 0.00 33.84 31.92 1xqe n VAL 317 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1xqe h HIS 318 N -0.55 1.13 0.24 3.52 3.86 -0.54 -1.45 115.15 121.36 1xqe h HIS 318 Ca 0.00 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 58.98 1xqe h HIS 318 Cb 0.55 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1xqe h HIS 318 CO -0.24 1.03 -0.11 0.78 0.86 0.00 0.00 177.93 180.25 1xqe h GLY 319 N 0.96 -0.33 0.86 2.45 0.00 -0.86 -1.53 103.07 104.63 1xqe h GLY 319 Ca 0.15 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 1xqe h GLY 319 CO 0.04 -0.12 0.04 -2.08 0.00 0.00 0.00 176.54 174.42 1xqe h VAL 320 N -0.98 1.23 0.00 4.60 2.07 -0.99 -1.92 116.25 120.26 1xqe h VAL 320 Ca -0.03 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.58 1xqe h VAL 320 Cb 0.45 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1xqe h VAL 320 CO 0.05 0.25 -0.55 0.00 0.02 0.00 0.00 177.57 177.35 1xqe h GLY 322 N 1.75 -0.03 0.94 0.00 0.00 -1.10 0.20 103.07 104.84 1xqe h GLY 322 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1xqe h GLY 322 CO 0.07 -0.01 0.05 -2.22 0.00 0.00 0.00 176.54 174.43 1xqe h ILE 323 N -0.13 0.99 -0.40 2.60 2.04 -1.24 -0.71 117.51 120.66 1xqe h ILE 323 Ca -0.00 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1xqe h ILE 323 Cb 0.12 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1xqe h ILE 323 CO 0.00 0.02 0.25 0.58 0.00 0.00 0.00 178.15 179.00 1xqe h VAL 324 N 0.10 1.06 -0.51 1.67 2.07 -1.08 -1.71 116.25 117.86 1xqe h VAL 324 Ca 0.04 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1xqe h VAL 324 Cb 0.01 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1xqe h VAL 324 CO -0.04 0.09 0.21 1.23 0.02 0.00 0.00 177.57 179.09 1xqe h GLY 325 N 0.50 0.82 1.01 2.17 0.00 -0.48 -1.37 103.07 105.72 1xqe h GLY 325 Ca 0.16 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 1xqe h GLY 325 CO -0.06 0.42 0.38 0.00 0.00 0.00 0.00 176.54 177.27 1xqe h ILE 327 N 1.00 1.23 0.00 0.00 2.04 -1.25 -3.21 117.51 117.33 1xqe h ILE 327 Ca 0.25 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1xqe h ILE 327 Cb 0.07 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1xqe h ILE 327 CO -0.04 0.19 -0.17 0.24 0.00 0.00 0.00 178.15 178.37 1xqe h MET 328 N -0.24 0.00 -0.77 2.37 2.86 -1.14 -0.20 114.93 117.81 1xqe h MET 328 Ca 0.01 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1xqe h MET 328 Cb 0.30 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 1xqe h MET 328 CO 0.00 0.17 0.51 1.15 1.06 0.00 0.00 176.91 179.80 1xqe h THR 329 N 0.00 1.07 0.00 2.22 2.02 -1.11 0.12 112.91 117.23 1xqe h THR 329 Ca -0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1xqe h THR 329 Cb 0.48 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1xqe h THR 329 CO 0.02 0.16 0.00 0.61 0.37 0.00 0.00 175.52 176.68 1xqe n GLY 330 N -1.43 -1.33 0.10 2.16 0.00 -0.09 -2.22 105.19 102.38 1xqe n GLY 330 Ca 0.11 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 1xqe n GLY 330 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xqe n ILE 331 N -2.15 1.50 1.19 -0.61 5.41 -0.83 -4.40 119.36 119.47 1xqe n ILE 331 Ca 0.03 -0.02 0.13 0.00 1.00 0.00 0.00 62.75 63.89 1xqe n ILE 331 Cb 0.26 -2.19 0.66 0.00 -0.71 0.00 0.00 39.64 37.66 1xqe n ILE 331 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1xqe n PHE 332 N -4.42 0.00 0.36 1.39 3.72 0.37 -2.35 117.46 116.53 1xqe n PHE 332 Ca -0.27 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.27 1xqe n PHE 332 Cb 0.60 -0.34 0.56 0.00 -0.94 0.00 0.00 39.48 39.36 1xqe n PHE 332 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xqe h ALA 333 N 3.19 1.00 -2.78 4.37 0.00 -1.63 -3.22 119.26 120.19 1xqe h ALA 333 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1xqe h ALA 333 Cb 0.31 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.19 1xqe h ALA 333 CO 0.00 0.00 0.86 0.00 0.00 0.00 0.00 179.25 180.11 1xqe n ALA 334 N -1.90 2.49 -0.24 0.00 0.00 -0.99 -0.04 120.51 119.83 1xqe n ALA 334 Ca 0.02 0.37 0.04 0.00 0.00 0.00 0.00 53.44 53.86 1xqe n ALA 334 Cb 0.26 -2.45 0.16 0.00 0.00 0.00 0.00 19.45 17.42 1xqe n ALA 334 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xqe h SER 335 N 4.54 0.24 0.00 0.00 0.02 -1.88 -1.12 113.55 115.35 1xqe h SER 335 Ca -0.47 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1xqe h SER 335 Cb 1.23 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1xqe h SER 335 CO 0.77 0.10 0.06 0.77 -1.14 0.00 0.00 176.83 177.39 1xqe h SER 336 N 0.42 0.00 -0.35 3.07 4.64 -1.90 -1.34 113.55 118.09 1xqe h SER 336 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1xqe h SER 336 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1xqe h SER 336 CO -0.39 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.75 1xqe n LEU 337 N -2.87 3.78 0.00 5.97 4.77 -0.53 -4.95 117.00 123.17 1xqe n LEU 337 Ca -0.03 -2.62 0.00 0.00 -0.03 0.00 0.00 56.01 53.33 1xqe n LEU 337 Cb 0.12 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1xqe n LEU 337 CO 0.17 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1xqe n GLY 338 N 0.07 0.74 2.37 -0.72 0.00 -0.51 -4.53 105.19 102.62 1xqe n GLY 338 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1xqe n GLY 338 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xqe n GLY 339 N -2.00 -1.11 0.18 -0.02 0.00 -0.56 -2.72 105.19 98.95 1xqe n GLY 339 Ca 0.00 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.42 1xqe n GLY 339 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1xqe h VAL 340 N -1.36 0.00 0.00 1.61 -1.51 -0.86 -3.36 116.25 110.77 1xqe h VAL 340 Ca -0.26 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1xqe h VAL 340 Cb 0.73 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1xqe h VAL 340 CO 0.19 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.14 1xqe n GLY 341 N 1.01 2.83 3.75 5.19 0.00 0.94 -4.81 105.19 114.10 1xqe n GLY 341 Ca 0.04 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 1xqe n GLY 341 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xqe s PHE 342 N -1.53 2.37 0.85 1.61 0.08 -1.25 -4.84 117.98 115.26 1xqe s PHE 342 Ca 0.00 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.47 1xqe s PHE 342 Cb 0.00 -3.31 -0.04 0.00 -0.57 0.00 0.00 43.02 39.10 1xqe s PHE 342 CO 0.00 -2.09 0.16 0.00 -0.10 0.00 0.00 175.22 173.19 1xqe n ALA 343 N -2.50 -2.86 -1.64 5.36 0.00 -1.26 -4.83 120.51 112.78 1xqe n ALA 343 Ca 0.12 -0.46 -0.50 0.00 0.00 0.00 0.00 53.44 52.60 1xqe n ALA 343 Cb 0.51 -1.65 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 1xqe n ALA 343 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xqe n GLU 344 N -0.26 1.65 -0.88 0.00 2.13 -1.26 -1.74 120.64 120.28 1xqe n GLU 344 Ca 0.06 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1xqe n GLU 344 Cb 0.52 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.92 1xqe n GLU 344 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xqe n GLY 345 N 3.17 1.13 3.67 8.31 0.00 -1.26 -5.02 105.19 115.20 1xqe n GLY 345 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1xqe n GLY 345 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xqe s VAL 346 N -3.83 5.31 0.52 1.61 1.01 -0.71 -5.11 120.40 119.21 1xqe s VAL 346 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1xqe s VAL 346 Cb 0.00 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1xqe s VAL 346 CO 0.00 0.38 0.73 0.42 0.00 0.00 0.00 175.10 176.63 1xqe s THR 347 N 0.82 2.82 0.16 3.92 -4.23 -1.26 -4.75 115.64 113.11 1xqe s THR 347 Ca 0.07 -0.72 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 1xqe s THR 347 Cb -0.13 -3.03 0.05 0.00 1.34 0.00 0.00 72.50 70.73 1xqe s THR 347 CO 0.02 -0.02 1.73 -0.03 -0.54 0.00 0.00 174.62 175.78 1xqe h MET 348 N 0.20 0.77 -0.92 3.99 4.05 -1.98 -0.25 114.93 120.79 1xqe h MET 348 Ca -0.42 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 58.86 1xqe h MET 348 Cb 1.29 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.92 1xqe h MET 348 CO 0.51 0.65 0.52 0.78 0.23 0.00 0.00 176.91 179.61 1xqe h GLY 349 N 0.70 1.36 0.81 1.39 0.00 -1.96 0.13 103.07 105.49 1xqe h GLY 349 Ca 0.18 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1xqe h GLY 349 CO -0.02 0.57 -0.06 0.84 0.00 0.00 0.00 176.54 177.88 1xqe h HIS 350 N 1.28 0.45 -0.16 5.60 6.17 -1.87 -2.51 115.15 124.11 1xqe h HIS 350 Ca 0.33 -0.10 0.01 0.00 0.71 0.00 0.00 60.37 61.31 1xqe h HIS 350 Cb -0.00 -0.11 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 1xqe h HIS 350 CO 0.01 0.65 0.09 0.37 0.71 0.00 0.00 177.93 179.75 1xqe h GLN 351 N 0.11 0.18 -0.68 5.26 5.75 -0.73 -1.99 115.11 123.01 1xqe h GLN 351 Ca 0.05 -0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.68 1xqe h GLN 351 Cb 0.51 -0.04 -0.10 0.00 1.07 0.00 0.00 27.48 28.92 1xqe h GLN 351 CO 0.02 0.12 0.18 -0.07 -2.65 0.00 0.00 178.83 176.43 1xqe h LEU 352 N 0.18 0.07 -0.72 -2.39 3.38 -0.77 0.23 115.31 115.29 1xqe h LEU 352 Ca 0.06 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1xqe h LEU 352 Cb 0.00 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1xqe h LEU 352 CO -0.03 0.02 0.46 0.25 0.09 0.00 0.00 178.44 179.22 1xqe h LEU 353 N 0.31 0.84 -0.70 1.67 5.85 -1.15 -0.05 115.31 122.08 1xqe h LEU 353 Ca 0.37 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 1xqe h LEU 353 Cb 0.59 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1xqe h LEU 353 CO -0.44 0.63 0.13 0.58 -0.34 0.00 0.00 178.44 178.99 1xqe h VAL 354 N 0.98 1.26 0.18 1.05 2.07 -0.54 -0.37 116.25 120.89 1xqe h VAL 354 Ca 0.26 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1xqe h VAL 354 Cb -0.09 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1xqe h VAL 354 CO -0.05 0.39 -0.09 1.56 0.02 0.00 0.00 177.57 179.40 1xqe h GLN 355 N 1.06 -0.23 -0.52 1.57 1.08 -0.62 -0.59 115.11 116.86 1xqe h GLN 355 Ca 0.21 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.51 1xqe h GLN 355 Cb 0.42 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 1xqe h GLN 355 CO 0.01 -0.13 0.16 -0.07 -0.95 0.00 0.00 178.83 177.85 1xqe h LEU 356 N -0.28 0.12 -0.98 1.46 3.38 -0.88 -0.52 115.31 117.62 1xqe h LEU 356 Ca -0.02 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1xqe h LEU 356 Cb 0.21 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1xqe h LEU 356 CO 0.04 0.09 0.15 -0.33 0.09 0.00 0.00 178.44 178.48 1xqe h GLU 357 N 0.32 0.89 -0.37 1.13 5.08 -0.97 -1.30 114.58 119.36 1xqe h GLU 357 Ca 0.26 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1xqe h GLU 357 Cb 0.31 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1xqe h GLU 357 CO -0.29 0.79 0.09 0.77 -1.00 0.00 0.00 179.01 179.38 1xqe h SER 358 N 0.86 0.57 -0.46 1.42 0.02 -0.48 -1.53 113.55 113.95 1xqe h SER 358 Ca 0.19 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1xqe h SER 358 Cb 0.30 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1xqe h SER 358 CO -0.00 0.65 0.24 0.40 -1.14 0.00 0.00 176.83 176.98 1xqe h ILE 359 N 0.46 1.17 -0.08 3.27 2.04 -0.99 -1.98 117.51 121.40 1xqe h ILE 359 Ca 0.12 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1xqe h ILE 359 Cb 0.31 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1xqe h ILE 359 CO 0.00 0.18 0.03 0.00 0.00 0.00 0.00 178.15 178.36 1xqe h ALA 360 N 1.09 0.10 -0.44 1.87 0.00 -1.11 -1.18 119.26 119.58 1xqe h ALA 360 Ca 0.16 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1xqe h ALA 360 Cb 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1xqe h ALA 360 CO -0.02 -0.32 0.13 0.82 0.00 0.00 0.00 179.25 179.86 1xqe h ILE 361 N -0.03 0.83 -0.50 0.00 2.04 -1.30 -1.80 117.51 116.74 1xqe h ILE 361 Ca 0.03 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1xqe h ILE 361 Cb 0.16 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1xqe h ILE 361 CO -0.00 0.05 0.25 0.74 0.00 0.00 0.00 178.15 179.19 1xqe h THR 362 N 0.29 1.18 -0.08 -0.27 2.02 -1.13 0.11 112.91 115.04 1xqe h THR 362 Ca 0.21 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1xqe h THR 362 Cb 0.22 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1xqe h THR 362 CO -0.23 0.20 0.05 0.40 0.37 0.00 0.00 175.52 176.31 1xqe h ILE 363 N 0.66 1.04 -0.17 3.11 2.04 -0.96 -1.04 117.51 122.19 1xqe h ILE 363 Ca 0.17 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 1xqe h ILE 363 Cb 0.09 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1xqe h ILE 363 CO -0.02 0.04 -0.15 0.58 0.00 0.00 0.00 178.15 178.59 1xqe h VAL 364 N 0.08 1.33 0.39 1.67 2.07 -1.21 -1.16 116.25 119.43 1xqe h VAL 364 Ca 0.03 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1xqe h VAL 364 Cb 0.02 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1xqe h VAL 364 CO -0.01 0.38 -0.33 -0.25 0.02 0.00 0.00 177.57 177.39 1xqe h TRP 365 N 0.07 -0.87 -0.81 1.57 2.91 -0.75 -0.62 115.95 117.45 1xqe h TRP 365 Ca 0.03 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.07 1xqe h TRP 365 Cb 0.67 0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.61 1xqe h TRP 365 CO 0.08 -0.47 0.53 1.03 -1.03 0.00 0.00 178.44 178.57 1xqe h SER 366 N -0.72 0.89 -0.06 2.65 0.87 -1.26 -2.29 113.55 113.64 1xqe h SER 366 Ca -0.03 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1xqe h SER 366 Cb 0.63 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1xqe h SER 366 CO -0.02 0.63 0.04 1.23 -0.53 0.00 0.00 176.83 178.18 1xqe h GLY 367 N 1.05 0.09 0.91 5.77 0.00 -0.97 0.01 103.07 109.93 1xqe h GLY 367 Ca 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1xqe h GLY 367 CO -0.09 0.04 0.11 -2.08 0.00 0.00 0.00 176.54 174.52 1xqe h VAL 368 N 0.05 1.19 -0.39 4.60 2.07 -1.03 -1.07 116.25 121.66 1xqe h VAL 368 Ca 0.02 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.85 1xqe h VAL 368 Cb 0.04 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1xqe h VAL 368 CO -0.00 0.20 -0.16 0.58 0.02 0.00 0.00 177.57 178.21 1xqe h VAL 369 N 0.34 1.28 -0.32 2.57 2.07 -1.35 -1.11 116.25 119.72 1xqe h VAL 369 Ca 0.10 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.35 1xqe h VAL 369 Cb 0.21 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1xqe h VAL 369 CO -0.01 0.43 0.21 0.00 0.02 0.00 0.00 177.57 178.22 1xqe h ALA 370 N 0.82 0.41 -0.50 1.67 0.00 -0.97 0.18 119.26 120.88 1xqe h ALA 370 Ca 0.09 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1xqe h ALA 370 Cb 0.70 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1xqe h ALA 370 CO 0.05 -0.13 -0.00 0.35 0.00 0.00 0.00 179.25 179.52 1xqe h PHE 371 N 0.43 -0.03 -0.62 0.00 3.57 -1.04 0.16 116.94 119.40 1xqe h PHE 371 Ca 0.12 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1xqe h PHE 371 Cb -0.04 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1xqe h PHE 371 CO -0.06 -0.11 0.26 0.82 -2.23 0.00 0.00 178.31 176.99 1xqe h ILE 372 N 0.11 1.23 -0.58 1.41 2.04 -0.74 -0.38 117.51 120.60 1xqe h ILE 372 Ca 0.25 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1xqe h ILE 372 Cb 0.38 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1xqe h ILE 372 CO -0.42 0.27 0.15 1.23 0.00 0.00 0.00 178.15 179.38 1xqe h GLY 373 N 0.86 1.00 1.01 5.37 0.00 -0.06 -1.77 103.07 109.47 1xqe h GLY 373 Ca 0.21 -0.62 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 1xqe h GLY 373 CO -0.02 0.58 -0.37 -0.97 0.00 0.00 0.00 176.54 175.76 1xqe h TYR 374 N 0.83 0.90 -0.68 5.60 0.05 -0.54 -2.44 116.97 120.69 1xqe h TYR 374 Ca 0.18 -0.29 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 1xqe h TYR 374 Cb 0.34 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1xqe h TYR 374 CO 0.02 1.07 0.40 0.87 -1.05 0.00 0.00 178.16 179.48 1xqe h LYS 375 N 0.48 0.93 -0.43 4.88 1.79 -1.04 -0.75 116.57 122.43 1xqe h LYS 375 Ca 0.03 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1xqe h LYS 375 Cb 0.96 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.39 1xqe h LYS 375 CO 0.09 0.67 0.18 1.25 -1.08 0.00 0.00 179.45 180.56 1xqe h LEU 376 N 0.93 0.59 -0.51 2.94 5.85 -1.31 0.23 115.31 124.03 1xqe h LEU 376 Ca 0.24 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1xqe h LEU 376 Cb -0.02 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1xqe h LEU 376 CO -0.04 0.58 0.24 0.00 -0.34 0.00 0.00 178.44 178.88 1xqe h ALA 377 N 1.03 0.65 -0.36 1.25 0.00 -1.29 -1.64 119.26 118.90 1xqe h ALA 377 Ca 0.15 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1xqe h ALA 377 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xqe h ALA 377 CO -0.01 -0.11 -0.24 0.22 0.00 0.00 0.00 179.25 179.11 1xqe h ASP 378 N 0.47 0.73 1.32 0.00 3.58 -0.59 0.30 116.42 122.24 1xqe h ASP 378 Ca 0.23 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 1xqe h ASP 378 Cb 0.16 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1xqe h ASP 378 CO -0.18 0.94 -0.19 -0.07 -2.88 0.00 0.00 179.24 176.86 1xqe h LEU 379 N 0.63 0.00 0.00 2.28 3.38 -0.38 -2.94 115.31 118.28 1xqe h LEU 379 Ca 0.09 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 1xqe h LEU 379 Cb 0.73 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1xqe h LEU 379 CO 0.06 0.19 -1.99 0.35 0.09 0.00 0.00 178.44 177.14 1xqe n THR 380 N -3.23 1.48 0.12 0.22 -2.24 -0.63 -4.81 114.28 105.18 1xqe n THR 380 Ca 0.02 -0.20 0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1xqe n THR 380 Cb 0.50 -2.02 -0.06 0.00 -2.10 0.00 0.00 70.33 66.65 1xqe n THR 380 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xqe n VAL 381 N -4.28 0.00 0.00 2.28 0.24 0.92 -5.09 118.33 112.40 1xqe n VAL 381 Ca -0.40 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 1xqe n VAL 381 Cb 0.75 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 1xqe n VAL 381 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xqe n GLY 382 N 1.76 -0.87 0.07 7.63 0.00 -0.51 -4.99 105.19 108.28 1xqe n GLY 382 Ca -0.01 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 1xqe n GLY 382 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xqe h LEU 383 N 0.00 -0.01 -9.73 0.99 3.38 -1.79 -3.43 115.31 104.73 1xqe h LEU 383 Ca 0.00 -0.79 -0.52 0.00 0.09 0.00 0.00 57.88 56.66 1xqe h LEU 383 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xqe h LEU 383 CO 0.00 0.81 0.56 -0.13 0.09 0.00 0.00 178.44 179.77 1xqe s ARG 384 N -2.76 4.50 0.20 1.13 0.52 -1.26 -0.00 118.95 121.28 1xqe s ARG 384 Ca -0.17 1.92 -0.31 0.00 -0.52 0.00 0.00 55.73 56.65 1xqe s ARG 384 Cb -0.02 -3.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.16 1xqe s ARG 384 CO 0.64 -0.04 1.46 0.54 0.02 0.00 0.00 175.30 177.92 1xqe s VAL 385 N -0.44 2.80 -2.00 3.52 0.11 -0.71 -4.36 120.40 119.31 1xqe s VAL 385 Ca 0.51 0.63 0.10 0.00 -2.93 0.00 0.00 61.98 60.28 1xqe s VAL 385 Cb -0.34 -3.40 0.28 0.00 -1.53 0.00 0.00 36.38 31.40 1xqe s VAL 385 CO 0.40 0.08 1.04 -0.81 -3.33 0.00 0.00 175.10 172.48