#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqq s ASN 3 N 0.00 6.42 0.31 1.09 2.47 -1.26 -4.97 114.94 119.00 1sqq s ASN 3 Ca 0.00 -0.05 0.17 0.00 0.42 0.00 0.00 52.86 53.39 1sqq s ASN 3 Cb 0.00 -2.37 0.23 0.00 -1.45 0.00 0.00 41.25 37.66 1sqq s ASN 3 CO 0.00 -0.82 1.52 0.16 -3.72 0.00 0.00 177.10 174.24 1sqq h ILE 4 N 5.89 0.80 -0.69 -5.21 -2.65 -2.01 -1.08 117.51 112.56 1sqq h ILE 4 Ca -0.25 -1.98 0.28 0.00 1.03 0.00 0.00 64.86 63.94 1sqq h ILE 4 Cb 1.09 2.29 -0.12 0.00 -2.05 0.00 0.00 36.82 38.03 1sqq h ILE 4 CO 0.92 0.43 0.34 -1.14 0.03 0.00 0.00 178.15 178.74 1sqq n ARG 5 N -3.27 -0.04 0.05 0.16 0.63 -1.26 -1.80 116.66 111.13 1sqq n ARG 5 Ca 0.02 0.96 -0.22 0.00 -0.92 0.00 0.00 57.85 57.68 1sqq n ARG 5 Cb 0.67 -1.70 -0.14 0.00 0.45 0.00 0.00 32.46 31.74 1sqq n ARG 5 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1sqq h LYS 6 N 0.00 0.34 0.05 -0.14 1.57 -1.55 -2.26 116.57 114.58 1sqq h LYS 6 Ca 0.57 -0.58 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 1sqq h LYS 6 Cb 1.49 0.22 -0.04 0.00 0.08 0.00 0.00 32.23 33.97 1sqq h LYS 6 CO -0.54 1.28 -2.01 -1.13 -0.57 0.00 0.00 179.45 176.48 1sqq n SER 7 N -3.71 1.41 -4.70 0.86 3.41 -1.06 -4.33 113.62 105.49 1sqq n SER 7 Ca -0.25 0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 1sqq n SER 7 Cb 1.01 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 1sqq n SER 7 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1sqq s HIS 8 N -2.56 3.04 0.23 7.33 5.65 -0.75 -4.86 115.29 123.37 1sqq s HIS 8 Ca -0.16 0.91 -0.06 0.00 0.25 0.00 0.00 55.06 55.99 1sqq s HIS 8 Cb 0.07 -3.64 0.36 0.00 -1.18 0.00 0.00 32.58 28.19 1sqq s HIS 8 CO 0.77 -2.31 1.78 -1.35 -0.65 0.00 0.00 174.74 172.98 1sqq h PRO 9 N 7.40 0.58 0.34 2.88 0.11 -1.91 0.48 132.00 141.88 1sqq h PRO 9 Ca -0.40 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1sqq h PRO 9 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1sqq h PRO 9 CO 0.88 0.39 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.82 1sqq h LEU 10 N 0.60 -0.39 -0.18 2.35 3.38 -1.98 -3.29 115.31 115.81 1sqq h LEU 10 Ca 0.36 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1sqq h LEU 10 Cb 0.40 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1sqq h LEU 10 CO -0.28 -0.04 -0.09 0.24 0.09 0.00 0.00 178.44 178.36 1sqq h MET 11 N -0.77 0.37 0.00 1.13 2.86 -1.25 0.44 114.93 117.71 1sqq h MET 11 Ca -0.05 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1sqq h MET 11 Cb 0.51 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1sqq h MET 11 CO 0.08 0.68 0.00 1.17 1.06 0.00 0.00 176.91 179.90 1sqq n LYS 12 N -4.59 0.00 -0.14 1.72 4.81 -0.41 0.38 118.16 119.92 1sqq n LYS 12 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.35 1sqq n LYS 12 Cb 0.32 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.42 1sqq n LYS 12 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1sqq h ILE 13 N 0.00 0.80 -0.46 3.15 1.08 -0.97 0.56 117.51 121.66 1sqq h ILE 13 Ca 0.00 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 64.28 1sqq h ILE 13 Cb 0.00 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 1sqq h ILE 13 CO 0.00 0.05 -0.08 0.58 -0.69 0.00 0.00 178.15 178.01 1sqq h VAL 14 N 0.28 1.26 -0.42 1.67 2.07 -0.44 -2.89 116.25 117.77 1sqq h VAL 14 Ca 0.22 -1.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 1sqq h VAL 14 Cb 0.26 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1sqq h VAL 14 CO -0.26 0.40 -0.01 -1.13 0.02 0.00 0.00 177.57 176.58 1sqq h ASN 15 N 0.75 0.74 0.36 0.57 -1.24 0.79 0.16 115.58 117.71 1sqq h ASN 15 Ca 0.13 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1sqq h ASN 15 Cb 0.57 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1sqq h ASN 15 CO 0.04 0.88 0.00 0.59 -1.29 0.00 0.00 177.43 177.64 1sqq n ASN 16 N -4.40 0.04 0.00 1.15 4.13 0.11 -1.50 115.26 114.79 1sqq n ASN 16 Ca -0.01 0.51 0.00 0.00 1.68 0.00 0.00 54.58 56.77 1sqq n ASN 16 Cb 0.30 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 1sqq n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sqq n ALA 17 N -1.52 2.00 0.04 5.41 0.00 -1.07 -4.31 120.51 121.05 1sqq n ALA 17 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1sqq n ALA 17 Cb 0.12 0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1sqq n ALA 17 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sqq n PHE 18 N -2.26 0.00 -0.10 0.00 3.72 0.55 -4.91 117.46 114.46 1sqq n PHE 18 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1sqq n PHE 18 Cb 0.38 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.81 1sqq n PHE 18 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1sqq n ILE 19 N -1.48 1.39 0.00 4.37 2.08 -0.82 -3.21 119.36 121.70 1sqq n ILE 19 Ca -0.00 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.23 1sqq n ILE 19 Cb 0.08 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 36.93 1sqq n ILE 19 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1sqq n ASP 20 N -4.20 3.69 0.00 4.38 10.43 -0.56 -2.34 116.55 127.95 1sqq n ASP 20 Ca -0.30 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.06 1sqq n ASP 20 Cb 0.64 0.60 0.00 0.00 1.84 0.00 0.00 41.12 44.20 1sqq n ASP 20 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1sqq n LEU 21 N -1.30 0.00 -4.63 0.64 7.94 -1.25 -4.77 117.00 113.62 1sqq n LEU 21 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 1sqq n LEU 21 Cb 0.14 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.07 1sqq n LEU 21 CO 0.00 0.00 1.48 -2.16 -1.11 0.00 0.00 177.39 175.60 1sqq s PRO 22 N 0.00 3.79 0.25 1.96 0.04 -1.26 -1.59 135.00 138.19 1sqq s PRO 22 Ca 0.00 1.93 0.10 0.00 0.04 0.00 0.00 61.00 63.07 1sqq s PRO 22 Cb 0.00 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1sqq s PRO 22 CO 0.00 -1.32 -0.03 0.00 0.04 0.00 0.00 177.00 175.69 1sqq s ALA 23 N 5.45 3.10 0.73 8.56 0.00 0.12 -4.83 121.76 134.90 1sqq s ALA 23 Ca 0.79 -1.63 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1sqq s ALA 23 Cb -0.30 -0.74 0.04 0.00 0.00 0.00 0.00 23.12 22.12 1sqq s ALA 23 CO 0.32 0.31 1.10 -2.14 0.00 0.00 0.00 175.76 175.35 1sqq s PRO 24 N -3.50 2.40 0.00 0.00 0.02 -1.26 0.96 135.00 133.62 1sqq s PRO 24 Ca 0.30 1.29 0.19 0.00 0.02 0.00 0.00 61.00 62.80 1sqq s PRO 24 Cb -0.07 -1.91 1.14 0.00 0.02 0.00 0.00 34.50 33.69 1sqq s PRO 24 CO 0.19 -1.55 1.61 -1.13 -0.33 0.00 0.00 177.00 175.79 1sqq n SER 25 N -3.11 0.00 0.00 2.53 3.41 -1.05 -3.91 113.62 111.49 1sqq n SER 25 Ca 0.10 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1sqq n SER 25 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1sqq n SER 25 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1sqq n ASN 26 N -0.88 0.00 -4.77 4.04 5.15 -1.26 -5.01 115.26 112.53 1sqq n ASN 26 Ca 0.14 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.74 1sqq n ASN 26 Cb 0.07 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.27 1sqq n ASN 26 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1sqq s ILE 27 N -0.84 3.85 0.52 -1.44 -4.36 -1.25 -4.65 121.20 113.03 1sqq s ILE 27 Ca 0.00 1.64 0.05 0.00 -0.26 0.00 0.00 60.65 62.08 1sqq s ILE 27 Cb 0.00 -3.96 0.09 0.00 1.25 0.00 0.00 42.46 39.85 1sqq s ILE 27 CO 0.00 0.22 0.72 -1.54 0.24 0.00 0.00 174.94 174.58 1sqq n SER 28 N 0.71 1.49 0.15 4.36 3.41 -1.26 -4.91 113.62 117.57 1sqq n SER 28 Ca 0.01 -2.14 0.18 0.00 -0.26 0.00 0.00 58.87 56.67 1sqq n SER 28 Cb 0.48 -0.41 0.77 0.00 -0.26 0.00 0.00 64.21 64.79 1sqq n SER 28 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sqq h SER 29 N -0.13 0.00 0.13 4.04 0.02 -2.02 0.30 113.55 115.89 1sqq h SER 29 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1sqq h SER 29 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1sqq h SER 29 CO 0.31 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.79 1sqq n TRP 30 N -3.93 0.00 0.62 3.45 7.02 -1.26 -1.81 117.44 121.53 1sqq n TRP 30 Ca 0.04 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.65 1sqq n TRP 30 Cb 0.43 -0.44 0.30 0.00 -2.42 0.00 0.00 31.31 29.19 1sqq n TRP 30 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1sqq n TRP 31 N -1.44 0.71 0.27 -5.99 8.01 0.10 -4.17 117.44 114.93 1sqq n TRP 31 Ca 0.01 0.21 0.13 0.00 -1.31 0.00 0.00 57.50 56.54 1sqq n TRP 31 Cb 0.05 -0.78 0.25 0.00 -2.01 0.00 0.00 31.31 28.81 1sqq n TRP 31 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1sqq h ASN 32 N 0.00 0.00 0.64 -0.99 2.35 -1.53 -3.23 115.58 112.83 1sqq h ASN 32 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sqq h ASN 32 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1sqq h ASN 32 CO 0.00 0.00 0.00 -0.26 -1.65 0.00 0.00 177.43 175.52 1sqq h PHE 33 N 0.00 0.00 0.41 1.19 0.04 -1.77 -2.60 116.94 114.20 1sqq h PHE 33 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1sqq h PHE 33 Cb 0.92 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.06 1sqq h PHE 33 CO 0.00 0.00 -0.28 0.78 -0.60 0.00 0.00 178.31 178.21 1sqq h GLY 34 N 1.37 -0.72 0.78 -1.45 0.00 -1.87 -0.66 103.07 100.51 1sqq h GLY 34 Ca 0.00 0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.70 1sqq h GLY 34 CO 0.00 -0.27 0.54 1.48 0.00 0.00 0.00 176.54 178.29 1sqq h SER 35 N -0.67 0.86 0.76 0.19 4.64 -1.73 -3.19 113.55 114.42 1sqq h SER 35 Ca -0.04 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 1sqq h SER 35 Cb 0.57 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1sqq h SER 35 CO 0.02 0.57 -0.53 -0.07 -0.87 0.00 0.00 176.83 175.94 1sqq h LEU 36 N 1.01 0.00 -0.41 5.97 3.38 -1.22 0.19 115.31 124.23 1sqq h LEU 36 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1sqq h LEU 36 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1sqq h LEU 36 CO -0.15 0.53 0.21 -0.07 0.09 0.00 0.00 178.44 179.05 1sqq h LEU 37 N 0.00 0.53 -0.17 1.67 3.38 -1.15 0.27 115.31 119.84 1sqq h LEU 37 Ca -0.01 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1sqq h LEU 37 Cb 1.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1sqq h LEU 37 CO 0.07 0.49 -0.01 1.23 0.09 0.00 0.00 178.44 180.31 1sqq h GLY 38 N 0.53 0.15 0.38 0.83 0.00 -1.09 0.91 103.07 104.79 1sqq h GLY 38 Ca 0.14 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.56 1sqq h GLY 38 CO -0.02 -0.04 -0.10 -2.22 0.00 0.00 0.00 176.54 174.16 1sqq h ILE 39 N 0.04 0.66 -0.86 2.60 2.04 -0.50 -1.75 117.51 119.74 1sqq h ILE 39 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1sqq h ILE 39 Cb 0.10 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 1sqq h ILE 39 CO -0.14 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.57 1sqq h LEU 41 N 1.10 0.17 -0.08 0.00 6.46 0.13 0.23 115.31 123.32 1sqq h LEU 41 Ca 0.34 0.03 -0.17 0.00 -0.12 0.00 0.00 57.88 57.96 1sqq h LEU 41 Cb -0.03 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1sqq h LEU 41 CO -0.11 0.13 -0.80 0.16 -0.62 0.00 0.00 178.44 177.20 1sqq h ILE 42 N 0.30 1.41 -0.22 4.05 3.07 -0.73 -2.47 117.51 122.91 1sqq h ILE 42 Ca 0.16 -2.92 -0.20 0.00 1.55 0.00 0.00 64.86 63.45 1sqq h ILE 42 Cb 0.11 2.65 0.01 0.00 -0.27 0.00 0.00 36.82 39.32 1sqq h ILE 42 CO -0.15 0.79 -0.65 0.25 -1.05 0.00 0.00 178.15 177.34 1sqq h LEU 43 N 0.00 0.96 -0.27 0.16 6.46 -0.42 0.31 115.31 122.51 1sqq h LEU 43 Ca -0.01 -0.58 0.06 0.00 -0.12 0.00 0.00 57.88 57.23 1sqq h LEU 43 Cb 1.58 -0.28 -0.06 0.00 -0.73 0.00 0.00 40.66 41.17 1sqq h LEU 43 CO 0.10 1.37 -0.14 1.56 -0.62 0.00 0.00 178.44 180.72 1sqq h GLN 44 N 0.60 -0.10 -0.39 1.25 1.08 -0.57 -0.87 115.11 116.11 1sqq h GLN 44 Ca -0.02 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 1sqq h GLN 44 Cb 1.27 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.68 1sqq h GLN 44 CO 0.14 -0.07 0.13 0.82 -0.95 0.00 0.00 178.83 178.90 1sqq h ILE 45 N -0.11 0.88 -0.02 2.54 2.04 -0.94 0.58 117.51 122.48 1sqq h ILE 45 Ca 0.14 -0.10 -0.18 0.00 1.00 0.00 0.00 64.86 65.72 1sqq h ILE 45 Cb 0.32 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1sqq h ILE 45 CO -0.34 0.05 -0.79 -0.07 0.00 0.00 0.00 178.15 177.01 1sqq h LEU 46 N 0.29 0.29 0.14 1.44 3.38 -0.26 -0.32 115.31 120.27 1sqq h LEU 46 Ca 0.18 -0.21 -0.30 0.00 0.09 0.00 0.00 57.88 57.64 1sqq h LEU 46 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1sqq h LEU 46 CO -0.19 0.97 -1.41 0.71 0.09 0.00 0.00 178.44 178.61 1sqq h THR 47 N 0.15 1.31 -0.94 0.22 1.35 -1.09 -3.26 112.91 110.64 1sqq h THR 47 Ca -0.03 -2.89 0.20 0.00 -0.55 0.00 0.00 66.41 63.13 1sqq h THR 47 Cb 1.38 2.87 -0.11 0.00 -1.73 0.00 0.00 68.15 70.56 1sqq h THR 47 CO 0.12 0.85 0.52 1.23 -0.25 0.00 0.00 175.52 177.99 1sqq h GLY 48 N 1.46 1.67 1.11 5.82 0.00 0.30 -1.86 103.07 111.57 1sqq h GLY 48 Ca -0.20 -0.28 -0.25 0.00 0.00 0.00 0.00 47.33 46.60 1sqq h GLY 48 CO 0.19 -0.15 -0.97 -2.00 0.00 0.00 0.00 176.54 173.62 1sqq h LEU 49 N 0.61 0.83 -1.50 3.11 5.85 -1.15 -1.21 115.31 121.84 1sqq h LEU 49 Ca 0.56 -0.75 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1sqq h LEU 49 Cb 0.96 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1sqq h LEU 49 CO -0.43 1.48 -0.00 -0.26 -0.34 0.00 0.00 178.44 178.88 1sqq h PHE 50 N 0.27 0.00 -0.23 1.25 -1.00 -1.59 -0.23 116.94 115.41 1sqq h PHE 50 Ca -0.13 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.55 1sqq h PHE 50 Cb 1.64 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 41.20 1sqq h PHE 50 CO 0.12 0.00 -0.27 -0.07 -1.61 0.00 0.00 178.31 176.47 1sqq h LEU 51 N 0.00 0.63 -1.42 1.54 4.07 -1.15 -3.32 115.31 115.66 1sqq h LEU 51 Ca -0.00 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.46 1sqq h LEU 51 Cb 0.50 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1sqq h LEU 51 CO 0.00 1.00 0.00 0.00 -1.08 0.00 0.00 178.44 178.36 1sqq h ALA 52 N 0.65 1.00 0.00 1.53 0.00 0.20 0.14 119.26 122.78 1sqq h ALA 52 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sqq h ALA 52 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1sqq h ALA 52 CO 0.07 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.99 1sqq n MET 53 N -3.03 0.22 0.00 0.00 2.81 -0.81 -3.82 117.12 112.49 1sqq n MET 53 Ca 0.01 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1sqq n MET 53 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1sqq n MET 53 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1sqq n HIS 54 N -1.13 0.00 -1.63 2.03 -0.00 -1.10 -5.08 115.22 108.31 1sqq n HIS 54 Ca 0.06 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.40 1sqq n HIS 54 Cb 0.05 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.09 1sqq n HIS 54 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1sqq n TYR 55 N -1.46 1.03 -4.33 4.41 4.19 0.48 -4.83 117.16 116.65 1sqq n TYR 55 Ca 0.00 0.45 -0.18 0.00 3.31 0.00 0.00 57.90 61.48 1sqq n TYR 55 Cb 0.00 -2.17 -0.14 0.00 0.49 0.00 0.00 39.34 37.51 1sqq n TYR 55 CO 0.00 0.00 0.00 -0.08 0.91 0.00 0.00 176.86 177.69 1sqq s THR 56 N -1.46 0.68 -0.36 2.97 -1.32 -1.26 -4.94 115.64 109.96 1sqq s THR 56 Ca 0.74 -0.42 0.04 0.00 -1.21 0.00 0.00 61.69 60.84 1sqq s THR 56 Cb -0.43 -0.58 0.46 0.00 -1.51 0.00 0.00 72.50 70.43 1sqq s THR 56 CO 0.48 0.16 1.50 -1.54 -2.21 0.00 0.00 174.62 173.01 1sqq n SER 57 N 2.77 3.65 -4.41 8.08 3.41 -1.26 -3.89 113.62 121.97 1sqq n SER 57 Ca -0.14 -2.89 -0.33 0.00 -0.26 0.00 0.00 58.87 55.25 1sqq n SER 57 Cb 0.57 -0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 63.69 1sqq n SER 57 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sqq s ASP 58 N -0.47 3.99 0.26 4.04 2.15 -1.26 -4.07 116.67 121.31 1sqq s ASP 58 Ca 0.36 -0.28 0.05 0.00 0.43 0.00 0.00 52.55 53.11 1sqq s ASP 58 Cb 0.29 -1.28 0.71 0.00 -0.30 0.00 0.00 42.92 42.35 1sqq s ASP 58 CO 0.08 0.24 1.27 0.41 -0.17 0.00 0.00 175.17 177.00 1sqq n THR 59 N 3.01 -0.34 0.11 1.71 -1.04 -1.26 0.03 114.28 116.50 1sqq n THR 59 Ca -0.18 1.75 -0.04 0.00 -2.04 0.00 0.00 64.05 63.54 1sqq n THR 59 Cb 0.52 -2.61 -0.02 0.00 -1.82 0.00 0.00 70.33 66.40 1sqq n THR 59 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sqq h THR 60 N 0.00 0.00 0.00 12.58 1.03 -1.98 -3.38 112.91 121.16 1sqq h THR 60 Ca 0.53 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.89 1sqq h THR 60 Cb 1.17 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.25 1sqq h THR 60 CO -0.73 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 175.13 1sqq n THR 61 N -2.89 0.20 0.20 0.00 -2.24 0.10 -4.28 114.28 105.38 1sqq n THR 61 Ca -0.04 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1sqq n THR 61 Cb 0.11 -0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 67.74 1sqq n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqq h ALA 62 N 2.84 -1.03 -0.65 6.98 0.00 -1.48 0.21 119.26 126.14 1sqq h ALA 62 Ca 0.00 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1sqq h ALA 62 Cb 0.58 0.62 -0.12 0.00 0.00 0.00 0.00 17.79 18.87 1sqq h ALA 62 CO 0.00 -1.06 -0.18 0.35 0.00 0.00 0.00 179.25 178.37 1sqq h PHE 63 N -0.71 -0.39 -0.01 0.00 3.57 -1.72 -2.56 116.94 115.11 1sqq h PHE 63 Ca -0.04 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1sqq h PHE 63 Cb 0.63 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1sqq h PHE 63 CO -0.23 -0.29 -0.05 1.03 -2.23 0.00 0.00 178.31 176.55 1sqq h SER 64 N -0.02 0.01 0.34 0.41 0.87 -1.56 -2.75 113.55 110.85 1sqq h SER 64 Ca 0.31 -0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.54 1sqq h SER 64 Cb 0.49 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1sqq h SER 64 CO -0.67 0.06 -1.71 0.77 -0.53 0.00 0.00 176.83 174.76 1sqq h SER 65 N 0.02 0.38 -0.53 6.23 4.64 -0.22 -0.51 113.55 123.55 1sqq h SER 65 Ca 0.00 -0.63 0.06 0.00 -0.47 0.00 0.00 61.79 60.75 1sqq h SER 65 Cb 0.09 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 1sqq h SER 65 CO 0.01 1.54 0.25 0.58 -0.87 0.00 0.00 176.83 178.33 1sqq h VAL 66 N 0.07 0.91 -0.06 0.95 2.07 -1.38 -2.07 116.25 116.74 1sqq h VAL 66 Ca -0.31 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1sqq h VAL 66 Cb 2.03 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1sqq h VAL 66 CO 0.14 0.09 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 1sqq h THR 67 N 0.48 1.35 -0.23 2.57 1.03 -1.48 -2.69 112.91 113.93 1sqq h THR 67 Ca 0.24 -1.12 0.02 0.00 -0.01 0.00 0.00 66.41 65.54 1sqq h THR 67 Cb 0.19 1.97 -0.03 0.00 -1.07 0.00 0.00 68.15 69.21 1sqq h THR 67 CO -0.19 0.31 -0.14 1.57 -0.01 0.00 0.00 175.52 177.06 1sqq n HIS 68 N -4.76 -0.10 -0.07 0.00 -0.00 -0.21 0.45 115.22 110.53 1sqq n HIS 68 Ca -0.07 0.29 -0.07 0.00 -0.00 0.00 0.00 57.72 57.86 1sqq n HIS 68 Cb 0.27 -0.46 -0.01 0.00 -0.00 0.00 0.00 29.99 29.79 1sqq n HIS 68 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 1sqq h ILE 69 N 0.00 0.45 -0.31 3.57 2.04 -1.11 0.56 117.51 122.72 1sqq h ILE 69 Ca 0.04 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 1sqq h ILE 69 Cb 0.10 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1sqq h ILE 69 CO -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.71 1sqq h ARG 71 N 0.46 -0.04 0.01 0.00 3.08 0.23 -3.35 114.38 114.78 1sqq h ARG 71 Ca 0.06 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.71 1sqq h ARG 71 Cb 0.77 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.77 1sqq h ARG 71 CO 0.06 0.46 -2.35 -0.25 -1.07 0.00 0.00 179.97 176.83 1sqq n ASP 72 N -4.73 1.97 -4.71 7.04 8.00 0.20 -4.97 116.55 119.35 1sqq n ASP 72 Ca -0.06 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 1sqq n ASP 72 Cb 0.25 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 1sqq n ASP 72 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sqq s VAL 73 N -2.50 4.87 0.03 2.53 1.01 -1.10 -4.88 120.40 120.35 1sqq s VAL 73 Ca -0.35 2.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1sqq s VAL 73 Cb 0.11 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1sqq s VAL 73 CO 0.56 0.14 1.24 0.20 0.00 0.00 0.00 175.10 177.24 1sqq s ASN 74 N 1.01 7.03 -0.85 3.32 -0.87 -1.26 -0.08 114.94 123.23 1sqq s ASN 74 Ca 0.50 1.99 -0.05 0.00 -1.57 0.00 0.00 52.86 53.74 1sqq s ASN 74 Cb -0.20 -2.57 0.04 0.00 -0.02 0.00 0.00 41.25 38.50 1sqq s ASN 74 CO 0.26 -0.54 0.20 -1.22 -2.57 0.00 0.00 177.10 173.23 1sqq n TYR 75 N 4.44 -1.70 -0.11 2.20 4.02 -1.26 -4.87 117.16 119.89 1sqq n TYR 75 Ca 0.10 0.21 -0.10 0.00 -0.01 0.00 0.00 57.90 58.09 1sqq n TYR 75 Cb 0.46 -2.14 -0.02 0.00 -0.02 0.00 0.00 39.34 37.61 1sqq n TYR 75 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1sqq h GLY 76 N -0.37 0.58 -0.06 2.72 0.00 -0.63 -3.30 103.07 102.01 1sqq h GLY 76 Ca -0.27 -0.39 0.15 0.00 0.00 0.00 0.00 47.33 46.83 1sqq h GLY 76 CO 0.34 0.36 0.14 0.11 0.00 0.00 0.00 176.54 177.49 1sqq h TRP 77 N 0.38 0.21 -0.29 5.60 5.08 -1.69 -0.96 115.95 124.27 1sqq h TRP 77 Ca 0.10 0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.11 1sqq h TRP 77 Cb 0.34 0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 26.50 1sqq h TRP 77 CO 0.02 -0.10 0.18 -0.84 -1.28 0.00 0.00 178.44 176.43 1sqq h ILE 78 N 0.24 1.10 -0.46 0.12 3.07 -1.95 -1.86 117.51 117.77 1sqq h ILE 78 Ca 0.39 -0.22 0.04 0.00 1.55 0.00 0.00 64.86 66.62 1sqq h ILE 78 Cb 0.66 0.71 -0.03 0.00 -0.27 0.00 0.00 36.82 37.90 1sqq h ILE 78 CO -0.51 0.09 0.31 0.40 -1.05 0.00 0.00 178.15 177.39 1sqq h ILE 79 N 0.38 1.03 0.53 0.16 2.04 -1.34 0.24 117.51 120.55 1sqq h ILE 79 Ca 0.11 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1sqq h ILE 79 Cb -0.00 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1sqq h ILE 79 CO -0.02 0.09 -0.25 -0.09 0.00 0.00 0.00 178.15 177.87 1sqq h ARG 80 N 0.48 -0.68 0.00 2.37 1.12 -0.62 -2.35 114.38 114.69 1sqq h ARG 80 Ca 0.19 0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 59.06 1sqq h ARG 80 Cb 0.15 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.26 1sqq h ARG 80 CO -0.05 -0.44 -0.21 1.88 -3.11 0.00 0.00 179.97 178.04 1sqq h TYR 81 N -1.18 0.00 -0.66 2.20 0.05 -1.01 -0.68 116.97 115.69 1sqq h TYR 81 Ca -0.07 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1sqq h TYR 81 Cb 0.56 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 1sqq h TYR 81 CO 0.00 0.21 0.41 0.52 -1.05 0.00 0.00 178.16 178.26 1sqq h MET 82 N 0.00 0.89 -0.03 4.88 2.86 -0.63 -0.97 114.93 121.94 1sqq h MET 82 Ca -0.00 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1sqq h MET 82 Cb 0.71 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1sqq h MET 82 CO 0.03 0.61 -0.08 1.25 1.06 0.00 0.00 176.91 179.78 1sqq h HIS 83 N 0.91 0.13 -0.19 -0.22 -0.00 -0.59 -2.23 115.15 112.97 1sqq h HIS 83 Ca 0.24 -0.05 -0.13 0.00 -0.00 0.00 0.00 60.37 60.43 1sqq h HIS 83 Cb -0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1sqq h HIS 83 CO 0.00 0.71 -0.37 0.00 -0.00 0.00 0.00 177.93 178.27 1sqq h ALA 84 N 0.40 0.30 0.00 5.26 0.00 -1.25 -1.09 119.26 122.88 1sqq h ALA 84 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1sqq h ALA 84 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1sqq h ALA 84 CO 0.02 0.38 -0.26 -0.91 0.00 0.00 0.00 179.25 178.47 1sqq h ASN 85 N 0.25 0.00 -0.62 0.00 2.35 -1.34 -3.00 115.58 113.21 1sqq h ASN 85 Ca 0.01 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1sqq h ASN 85 Cb 0.97 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.31 1sqq h ASN 85 CO 0.08 0.26 0.41 1.23 -1.65 0.00 0.00 177.43 177.77 1sqq h GLY 86 N 1.57 0.88 0.46 2.83 0.00 -0.58 0.16 103.07 108.39 1sqq h GLY 86 Ca -0.00 -0.32 0.13 0.00 0.00 0.00 0.00 47.33 47.14 1sqq h GLY 86 CO 0.03 0.32 0.61 0.00 0.00 0.00 0.00 176.54 177.50 1sqq h ALA 87 N 1.23 1.64 0.15 3.60 0.00 -1.19 0.68 119.26 125.36 1sqq h ALA 87 Ca 0.23 0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.91 1sqq h ALA 87 Cb -0.09 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.54 1sqq h ALA 87 CO -0.05 0.10 -1.21 0.77 0.00 0.00 0.00 179.25 178.87 1sqq h SER 88 N 0.88 0.48 -0.72 0.00 0.02 -1.44 -1.27 113.55 111.50 1sqq h SER 88 Ca 0.49 -0.90 0.15 0.00 -0.84 0.00 0.00 61.79 60.69 1sqq h SER 88 Cb 0.60 -0.16 -0.13 0.00 0.14 0.00 0.00 62.40 62.85 1sqq h SER 88 CO -0.26 1.55 -0.12 0.24 -1.14 0.00 0.00 176.83 177.11 1sqq h MET 89 N -0.26 0.03 -0.76 3.45 2.86 -0.37 0.14 114.93 120.03 1sqq h MET 89 Ca -0.24 -0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.53 1sqq h MET 89 Cb 1.78 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 33.34 1sqq h MET 89 CO 0.13 0.02 0.33 0.35 1.06 0.00 0.00 176.91 178.79 1sqq h PHE 90 N 0.03 0.57 -0.01 -0.22 3.04 0.46 -2.26 116.94 118.54 1sqq h PHE 90 Ca 0.36 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 62.18 1sqq h PHE 90 Cb 0.59 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 1sqq h PHE 90 CO -0.52 0.11 -0.78 0.74 -2.02 0.00 0.00 178.31 175.84 1sqq h PHE 91 N 0.49 0.17 -0.59 0.41 -1.00 0.12 -1.60 116.94 114.94 1sqq h PHE 91 Ca 0.41 -0.09 0.03 0.00 2.81 0.00 0.00 57.97 61.13 1sqq h PHE 91 Cb 0.58 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 1sqq h PHE 91 CO -0.15 0.85 0.35 0.82 -1.61 0.00 0.00 178.31 178.58 1sqq h ILE 92 N 0.07 1.05 -0.36 -0.55 1.08 -0.54 -2.41 117.51 115.86 1sqq h ILE 92 Ca -0.02 -0.24 -0.12 0.00 -0.39 0.00 0.00 64.86 64.09 1sqq h ILE 92 Cb 1.36 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 1sqq h ILE 92 CO 0.11 0.13 -0.23 0.00 -0.69 0.00 0.00 178.15 177.46 1sqq h LEU 94 N 0.58 0.23 0.01 0.00 -0.00 -1.23 -1.25 115.31 113.65 1sqq h LEU 94 Ca 0.07 0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 58.05 1sqq h LEU 94 Cb 0.80 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1sqq h LEU 94 CO 0.06 0.11 -0.01 1.88 -0.00 0.00 0.00 178.44 180.49 1sqq h TYR 95 N 0.42 -0.02 -0.37 1.13 0.05 -0.83 0.12 116.97 117.47 1sqq h TYR 95 Ca 0.36 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.20 1sqq h TYR 95 Cb 0.49 0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.17 1sqq h TYR 95 CO -0.17 0.72 -0.11 -1.33 -1.05 0.00 0.00 178.16 176.21 1sqq n MET 96 N -4.68 -0.05 0.09 4.88 2.81 -0.52 -0.26 117.12 119.39 1sqq n MET 96 Ca -0.08 0.57 -0.23 0.00 -1.81 0.00 0.00 57.70 56.15 1sqq n MET 96 Cb 0.36 -0.85 -0.15 0.00 -0.71 0.00 0.00 33.22 31.87 1sqq n MET 96 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1sqq h HIS 97 N 0.00 0.78 -0.26 2.03 -0.00 -0.15 0.23 115.15 117.78 1sqq h HIS 97 Ca 0.16 -0.57 -0.02 0.00 -0.00 0.00 0.00 60.37 59.94 1sqq h HIS 97 Cb 0.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1sqq h HIS 97 CO -0.30 1.63 0.07 0.28 -0.00 0.00 0.00 177.93 179.62 1sqq h VAL 98 N 0.08 1.21 -0.50 5.26 2.07 -0.71 -2.24 116.25 121.41 1sqq h VAL 98 Ca -0.31 -0.67 0.10 0.00 0.82 0.00 0.00 66.70 66.64 1sqq h VAL 98 Cb 2.09 1.15 -0.09 0.00 -1.52 0.00 0.00 31.29 32.92 1sqq h VAL 98 CO 0.20 0.22 -0.08 1.23 0.02 0.00 0.00 177.57 179.16 1sqq h GLY 99 N 0.25 0.42 1.38 2.17 0.00 -0.52 0.09 103.07 106.86 1sqq h GLY 99 Ca 0.08 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1sqq h GLY 99 CO -0.00 -0.17 0.39 -0.09 0.00 0.00 0.00 176.54 176.66 1sqq h ARG 100 N 0.04 0.83 -0.00 4.80 1.12 -0.44 -0.17 114.38 120.56 1sqq h ARG 100 Ca 0.25 -0.06 -0.13 0.00 -1.11 0.00 0.00 59.98 58.92 1sqq h ARG 100 Cb 0.38 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.14 1sqq h ARG 100 CO -0.48 0.57 -0.64 0.78 -3.11 0.00 0.00 179.97 177.09 1sqq h GLY 101 N 0.87 0.01 0.38 2.80 0.00 -0.42 -1.86 103.07 104.85 1sqq h GLY 101 Ca 0.23 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1sqq h GLY 101 CO -0.05 0.01 -0.16 1.41 0.00 0.00 0.00 176.54 177.75 1sqq h LEU 102 N 0.01 0.15 -0.40 3.11 3.38 0.38 -1.83 115.31 120.10 1sqq h LEU 102 Ca -0.01 -0.77 0.03 0.00 0.09 0.00 0.00 57.88 57.22 1sqq h LEU 102 Cb 1.13 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1sqq h LEU 102 CO 0.08 0.90 0.21 0.22 0.09 0.00 0.00 178.44 179.94 1sqq h TYR 103 N -0.58 0.39 -0.44 1.13 3.20 -1.22 -3.02 116.97 116.42 1sqq h TYR 103 Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1sqq h TYR 103 Cb 0.92 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1sqq h TYR 103 CO 0.18 0.21 0.00 0.66 -1.64 0.00 0.00 178.16 177.57 1sqq n TYR 104 N -4.91 0.58 -1.05 -3.82 4.02 -0.70 -1.30 117.16 109.98 1sqq n TYR 104 Ca 0.02 -0.29 -0.02 0.00 -0.01 0.00 0.00 57.90 57.60 1sqq n TYR 104 Cb 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.40 1sqq n TYR 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sqq n GLY 105 N 1.51 0.49 0.33 2.72 0.00 -1.04 -4.03 105.19 105.18 1sqq n GLY 105 Ca 0.20 -0.22 0.19 0.00 0.00 0.00 0.00 46.02 46.19 1sqq n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sqq h SER 106 N 0.00 0.00 0.06 1.61 0.02 -1.63 -2.77 113.55 110.84 1sqq h SER 106 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1sqq h SER 106 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1sqq h SER 106 CO 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 1sqq n TYR 107 N -3.23 0.00 0.08 3.45 4.11 -1.22 -2.76 117.16 117.60 1sqq n TYR 107 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.82 1sqq n TYR 107 Cb 0.19 -0.37 -0.04 0.00 -0.00 0.00 0.00 39.34 39.13 1sqq n TYR 107 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1sqq h THR 108 N 0.00 1.62 -0.03 -3.48 1.35 -1.85 -3.32 112.91 107.21 1sqq h THR 108 Ca 0.00 -3.02 -0.03 0.00 -0.55 0.00 0.00 66.41 62.81 1sqq h THR 108 Cb 0.03 2.64 0.01 0.00 -1.73 0.00 0.00 68.15 69.10 1sqq h THR 108 CO 0.00 0.86 0.65 0.49 -0.25 0.00 0.00 175.52 177.27 1sqq n PHE 109 N -3.50 0.29 -0.01 4.73 3.72 -1.11 -4.87 117.46 116.71 1sqq n PHE 109 Ca -0.01 -0.08 -0.10 0.00 -0.05 0.00 0.00 57.45 57.21 1sqq n PHE 109 Cb 0.85 -1.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.15 1sqq n PHE 109 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1sqq h LEU 110 N 13.83 -0.10 0.06 4.37 3.38 -1.89 -1.48 115.31 133.48 1sqq h LEU 110 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1sqq h LEU 110 Cb 0.94 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sqq h LEU 110 CO 1.01 -0.03 -0.03 -0.33 0.09 0.00 0.00 178.44 179.16 1sqq h GLU 111 N 0.02 -0.07 -0.41 1.13 5.08 -1.91 0.30 114.58 118.72 1sqq h GLU 111 Ca 0.06 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1sqq h GLU 111 Cb 0.09 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.26 1sqq h GLU 111 CO -0.12 0.16 -0.26 1.15 -1.00 0.00 0.00 179.01 178.94 1sqq h THR 112 N -0.30 0.32 0.31 1.13 2.02 -1.84 0.73 112.91 115.28 1sqq h THR 112 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1sqq h THR 112 Cb 0.27 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1sqq h THR 112 CO 0.01 0.00 -0.15 -0.25 0.37 0.00 0.00 175.52 175.50 1sqq h TRP 113 N -0.18 -0.39 -0.56 3.16 2.91 -1.14 0.20 115.95 119.96 1sqq h TRP 113 Ca 0.19 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.21 1sqq h TRP 113 Cb 0.49 0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 29.24 1sqq h TRP 113 CO -0.49 -0.20 0.36 -0.91 -1.03 0.00 0.00 178.44 176.17 1sqq h ASN 114 N -0.49 0.61 -0.87 2.65 -0.26 0.25 0.16 115.58 117.62 1sqq h ASN 114 Ca -0.04 -0.01 0.14 0.00 -0.56 0.00 0.00 56.30 55.83 1sqq h ASN 114 Cb 0.37 -0.14 -0.09 0.00 -1.06 0.00 0.00 38.32 37.39 1sqq h ASN 114 CO 0.07 0.44 0.47 0.40 -1.06 0.00 0.00 177.43 177.75 1sqq h ILE 115 N 0.72 0.76 -0.85 2.81 1.08 0.57 -1.53 117.51 121.08 1sqq h ILE 115 Ca 0.21 -0.23 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 1sqq h ILE 115 Cb -0.05 0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 33.67 1sqq h ILE 115 CO -0.06 0.12 0.55 1.23 -0.69 0.00 0.00 178.15 179.31 1sqq h GLY 116 N 0.68 1.22 0.98 5.37 0.00 0.20 -0.21 103.07 111.31 1sqq h GLY 116 Ca 0.47 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1sqq h GLY 116 CO -0.34 0.39 -0.05 -2.08 0.00 0.00 0.00 176.54 174.46 1sqq h VAL 117 N 1.10 0.92 -0.97 4.60 2.07 -0.42 -0.86 116.25 122.69 1sqq h VAL 117 Ca 0.33 -0.06 0.13 0.00 0.82 0.00 0.00 66.70 67.92 1sqq h VAL 117 Cb -0.06 0.96 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 1sqq h VAL 117 CO -0.09 0.01 0.60 0.40 0.02 0.00 0.00 177.57 178.51 1sqq h ILE 118 N -0.15 0.87 -0.71 4.57 2.04 -0.35 0.77 117.51 124.54 1sqq h ILE 118 Ca -0.01 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1sqq h ILE 118 Cb 0.12 -0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1sqq h ILE 118 CO 0.02 0.17 0.24 -0.07 0.00 0.00 0.00 178.15 178.51 1sqq h LEU 119 N 0.91 1.01 0.25 1.44 3.38 -0.71 -0.01 115.31 121.58 1sqq h LEU 119 Ca 0.50 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1sqq h LEU 119 Cb 0.55 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1sqq h LEU 119 CO -0.29 0.92 -0.12 0.25 0.09 0.00 0.00 178.44 179.29 1sqq h LEU 120 N 1.05 -0.29 -1.13 1.67 5.85 0.42 0.04 115.31 122.92 1sqq h LEU 120 Ca 0.23 -0.12 0.25 0.00 0.84 0.00 0.00 57.88 59.09 1sqq h LEU 120 Cb 0.26 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 1sqq h LEU 120 CO -0.01 -0.05 0.62 -0.07 -0.34 0.00 0.00 178.44 178.59 1sqq h LEU 121 N -0.52 0.60 0.11 2.25 3.38 -0.78 -1.66 115.31 118.69 1sqq h LEU 121 Ca -0.03 0.12 -0.30 0.00 0.09 0.00 0.00 57.88 57.75 1sqq h LEU 121 Cb 0.39 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1sqq h LEU 121 CO 0.06 0.11 -1.54 0.71 0.09 0.00 0.00 178.44 177.87 1sqq h THR 122 N 0.53 1.14 -0.82 0.22 1.35 -0.76 -2.17 112.91 112.40 1sqq h THR 122 Ca 0.63 -2.80 -0.02 0.00 -0.55 0.00 0.00 66.41 63.67 1sqq h THR 122 Cb 1.31 2.74 -0.04 0.00 -1.73 0.00 0.00 68.15 70.44 1sqq h THR 122 CO -0.41 0.81 0.42 1.62 -0.25 0.00 0.00 175.52 177.71 1sqq h VAL 123 N 0.06 1.25 0.41 6.82 3.04 -0.86 -1.53 116.25 125.45 1sqq h VAL 123 Ca -0.24 -0.66 -0.02 0.00 -1.01 0.00 0.00 66.70 64.76 1sqq h VAL 123 Cb 2.01 0.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 1sqq h VAL 123 CO 0.16 0.29 -0.20 0.24 -1.01 0.00 0.00 177.57 177.05 1sqq h MET 124 N 1.15 -0.53 -0.57 4.17 2.07 -1.37 -2.20 114.93 117.65 1sqq h MET 124 Ca 0.28 0.04 0.14 0.00 -2.07 0.00 0.00 59.70 58.09 1sqq h MET 124 Cb 0.08 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.90 1sqq h MET 124 CO -0.04 -0.32 0.40 0.00 1.07 0.00 0.00 176.91 178.02 1sqq h ALA 125 N -0.04 2.31 0.38 6.32 0.00 -1.32 -0.72 119.26 126.19 1sqq h ALA 125 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1sqq h ALA 125 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1sqq h ALA 125 CO 0.09 -0.46 -0.18 1.15 0.00 0.00 0.00 179.25 179.85 1sqq h THR 126 N 0.16 0.61 -0.10 0.00 2.02 -0.83 -2.72 112.91 112.06 1sqq h THR 126 Ca 0.27 -0.40 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 1sqq h THR 126 Cb 0.85 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1sqq h THR 126 CO -0.04 0.07 -0.60 0.00 0.37 0.00 0.00 175.52 175.32 1sqq h ALA 127 N -0.23 0.78 -0.34 6.16 0.00 -0.57 0.24 119.26 125.31 1sqq h ALA 127 Ca -0.05 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.34 1sqq h ALA 127 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1sqq h ALA 127 CO 0.08 0.72 0.18 0.35 0.00 0.00 0.00 179.25 180.58 1sqq h PHE 128 N 0.25 0.33 -0.49 0.00 3.04 -1.39 0.17 116.94 118.85 1sqq h PHE 128 Ca -0.01 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 1sqq h PHE 128 Cb 1.13 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.51 1sqq h PHE 128 CO 0.03 0.18 0.09 0.52 -2.02 0.00 0.00 178.31 177.11 1sqq h MET 129 N 0.36 0.75 -0.71 1.11 2.86 -1.11 -3.05 114.93 115.15 1sqq h MET 129 Ca 0.14 -0.16 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 1sqq h MET 129 Cb 0.04 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.51 1sqq h MET 129 CO -0.09 0.70 0.34 0.78 1.06 0.00 0.00 176.91 179.70 1sqq h GLY 130 N 0.93 1.07 2.00 8.32 0.00 0.45 -3.13 103.07 112.71 1sqq h GLY 130 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1sqq h GLY 130 CO 0.00 0.03 -0.17 -1.82 0.00 0.00 0.00 176.54 174.58 1sqq h TYR 131 N 0.56 0.00 -0.20 5.60 5.03 -0.59 -2.16 116.97 125.22 1sqq h TYR 131 Ca 0.36 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.54 1sqq h TYR 131 Cb 0.41 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1sqq h TYR 131 CO -0.12 0.17 -0.41 0.28 -1.32 0.00 0.00 178.16 176.76 1sqq h VAL 132 N 0.00 1.30 -0.76 1.81 2.07 -1.60 -3.38 116.25 115.70 1sqq h VAL 132 Ca -0.00 -1.56 0.17 0.00 0.82 0.00 0.00 66.70 66.14 1sqq h VAL 132 Cb 0.80 1.60 -0.13 0.00 -1.52 0.00 0.00 31.29 32.04 1sqq h VAL 132 CO 0.02 0.48 0.03 -0.07 0.02 0.00 0.00 177.57 178.05 1sqq h LEU 133 N 0.38 -0.30 -0.06 2.57 3.38 -1.47 -0.93 115.31 118.87 1sqq h LEU 133 Ca 0.03 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1sqq h LEU 133 Cb 0.87 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1sqq h LEU 133 CO 0.07 -0.17 0.00 -0.81 0.09 0.00 0.00 178.44 177.62 1sqq n PRO 134 N -5.33 0.03 -3.36 1.13 -0.05 -1.26 -4.74 135.00 121.43 1sqq n PRO 134 Ca 0.14 0.17 -0.18 0.00 -0.05 0.00 0.00 63.50 63.57 1sqq n PRO 134 Cb 0.48 -1.55 0.07 0.00 -0.05 0.00 0.00 33.50 32.46 1sqq n PRO 134 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 175.50 177.32 1sqq n TRP 135 N -1.61 -2.24 -1.89 0.54 -0.00 -0.35 -3.03 117.44 108.86 1sqq n TRP 135 Ca 0.05 0.86 -0.23 0.00 -0.00 0.00 0.00 57.50 58.18 1sqq n TRP 135 Cb 0.26 -4.60 0.15 0.00 -0.00 0.00 0.00 31.31 27.12 1sqq n TRP 135 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sqq n GLY 136 N -1.50 -1.05 0.28 5.87 0.00 -1.25 -1.83 105.19 105.71 1sqq n GLY 136 Ca -0.11 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 1sqq n GLY 136 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1sqq h GLN 137 N 0.00 0.95 -0.04 1.61 1.08 -1.32 -1.16 115.11 116.23 1sqq h GLN 137 Ca -0.33 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 56.78 1sqq h GLN 137 Cb 0.96 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1sqq h GLN 137 CO 0.25 0.63 -0.08 0.52 -0.95 0.00 0.00 178.83 179.20 1sqq h MET 138 N 0.98 0.13 -0.46 1.46 2.86 -1.90 -0.44 114.93 117.55 1sqq h MET 138 Ca 0.27 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1sqq h MET 138 Cb -0.11 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.50 1sqq h MET 138 CO -0.06 0.67 -0.27 0.43 1.06 0.00 0.00 176.91 178.74 1sqq n SER 139 N -4.70 -0.48 -0.15 1.22 7.64 -1.19 -0.43 113.62 115.53 1sqq n SER 139 Ca -0.08 0.82 -0.11 0.00 1.01 0.00 0.00 58.87 60.51 1sqq n SER 139 Cb 0.34 -0.11 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 1sqq n SER 139 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1sqq h PHE 140 N 0.00 0.97 0.03 1.43 3.57 -0.89 -1.68 116.94 120.36 1sqq h PHE 140 Ca 0.08 -0.22 -0.39 0.00 3.53 0.00 0.00 57.97 60.97 1sqq h PHE 140 Cb 0.19 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.64 1sqq h PHE 140 CO -0.47 0.97 -2.31 0.91 -2.23 0.00 0.00 178.31 175.18 1sqq n TRP 141 N -4.26 0.33 0.00 0.41 7.02 -0.20 0.43 117.44 121.17 1sqq n TRP 141 Ca -0.01 0.09 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 1sqq n TRP 141 Cb 0.39 -1.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.24 1sqq n TRP 141 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1sqq n GLY 142 N 1.95 0.00 0.30 6.99 0.00 0.43 0.52 105.19 115.39 1sqq n GLY 142 Ca -0.44 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1sqq n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq h ALA 143 N 0.00 1.13 0.24 4.61 0.00 -1.11 -1.34 119.26 122.80 1sqq h ALA 143 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1sqq h ALA 143 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sqq h ALA 143 CO 0.00 -0.45 -0.11 1.15 0.00 0.00 0.00 179.25 179.84 1sqq h THR 144 N 0.19 0.82 -0.21 0.00 2.02 0.14 -2.49 112.91 113.38 1sqq h THR 144 Ca 0.51 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 67.23 1sqq h THR 144 Cb 0.99 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1sqq h THR 144 CO -0.65 0.08 -0.36 0.58 0.37 0.00 0.00 175.52 175.53 1sqq h VAL 145 N -0.49 1.29 0.06 3.16 2.07 0.11 -2.70 116.25 119.75 1sqq h VAL 145 Ca -0.03 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 65.92 1sqq h VAL 145 Cb 0.37 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1sqq h VAL 145 CO 0.05 0.46 -0.45 0.40 0.02 0.00 0.00 177.57 178.04 1sqq h ILE 146 N 0.38 1.61 -0.44 4.57 1.08 -1.35 -3.25 117.51 120.11 1sqq h ILE 146 Ca 0.04 -2.42 0.06 0.00 -0.39 0.00 0.00 64.86 62.15 1sqq h ILE 146 Cb 0.81 3.24 -0.05 0.00 -3.07 0.00 0.00 36.82 37.74 1sqq h ILE 146 CO 0.07 0.65 0.15 0.71 -0.69 0.00 0.00 178.15 179.03 1sqq h THR 147 N -0.71 0.85 -1.30 -0.27 1.35 -1.51 -2.86 112.91 108.46 1sqq h THR 147 Ca -0.09 -0.11 0.44 0.00 -0.55 0.00 0.00 66.41 66.11 1sqq h THR 147 Cb 1.31 0.51 -0.14 0.00 -1.73 0.00 0.00 68.15 68.11 1sqq h THR 147 CO 0.06 0.06 0.83 0.78 -0.25 0.00 0.00 175.52 176.99 1sqq h ASN 148 N 0.31 0.25 -0.93 5.36 2.35 -1.51 -0.99 115.58 120.42 1sqq h ASN 148 Ca 0.21 0.15 0.24 0.00 -0.55 0.00 0.00 56.30 56.35 1sqq h ASN 148 Cb 0.21 0.15 -0.13 0.00 0.05 0.00 0.00 38.32 38.59 1sqq h ASN 148 CO -0.22 -0.22 0.44 -0.07 -1.65 0.00 0.00 177.43 175.71 1sqq h LEU 149 N 0.07 0.38 -2.36 1.61 3.38 -1.57 -2.03 115.31 114.78 1sqq h LEU 149 Ca 0.84 0.16 0.03 0.00 0.09 0.00 0.00 57.88 59.00 1sqq h LEU 149 Cb 2.58 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 43.46 1sqq h LEU 149 CO -0.47 -0.02 0.13 -0.07 0.09 0.00 0.00 178.44 178.10 1sqq h LEU 150 N 0.40 0.00 -1.23 1.67 3.38 -1.40 0.12 115.31 118.24 1sqq h LEU 150 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1sqq h LEU 150 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1sqq h LEU 150 CO -0.55 0.00 0.00 -1.28 0.09 0.00 0.00 178.44 176.70 1sqq h SER 151 N 0.00 0.00 1.34 -0.43 0.87 -1.44 -2.52 113.55 111.36 1sqq h SER 151 Ca 0.05 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 1sqq h SER 151 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1sqq h SER 151 CO -0.00 0.00 -0.69 0.00 -0.53 0.00 0.00 176.83 175.61 1sqq h ALA 152 N 2.10 0.71 -2.09 6.23 0.00 -0.93 -3.40 119.26 121.88 1sqq h ALA 152 Ca 0.00 -0.33 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 1sqq h ALA 152 Cb 0.16 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.00 1sqq h ALA 152 CO 0.00 0.40 1.12 -0.89 0.00 0.00 0.00 179.25 179.89 1sqq n ILE 153 N -3.01 0.61 -1.77 0.00 5.41 -0.95 -4.63 119.36 115.02 1sqq n ILE 153 Ca -0.00 -0.11 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 1sqq n ILE 153 Cb 0.67 -1.95 -0.00 0.00 -0.71 0.00 0.00 39.64 37.64 1sqq n ILE 153 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1sqq n PRO 154 N 6.78 2.68 0.00 0.38 -0.02 -1.26 -2.46 135.00 141.10 1sqq n PRO 154 Ca 0.22 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1sqq n PRO 154 Cb 0.31 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 1sqq n PRO 154 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1sqq n TYR 155 N 0.80 0.00 -0.14 6.00 -0.00 -1.26 -3.60 117.16 118.96 1sqq n TYR 155 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.01 1sqq n TYR 155 Cb 0.38 0.00 0.16 0.00 -0.00 0.00 0.00 39.34 39.89 1sqq n TYR 155 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 1sqq n ILE 156 N 0.00 -0.18 -0.06 2.97 5.41 -1.26 -4.39 119.36 121.84 1sqq n ILE 156 Ca 0.00 0.90 -0.13 0.00 1.00 0.00 0.00 62.75 64.53 1sqq n ILE 156 Cb 0.00 -1.36 -0.00 0.00 -0.71 0.00 0.00 39.64 37.56 1sqq n ILE 156 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1sqq h GLY 157 N 0.00 0.87 0.96 7.39 0.00 -1.54 -2.58 103.07 108.18 1sqq h GLY 157 Ca 0.29 -0.97 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1sqq h GLY 157 CO -0.37 0.87 0.06 -0.84 0.00 0.00 0.00 176.54 176.26 1sqq h THR 158 N 0.62 1.06 0.00 4.70 2.02 -1.77 -2.89 112.91 116.65 1sqq h THR 158 Ca 0.03 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1sqq h THR 158 Cb 1.08 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1sqq h THR 158 CO 0.11 0.05 -0.05 0.78 0.37 0.00 0.00 175.52 176.78 1sqq h ASN 159 N 0.10 0.00 -0.09 4.18 -0.26 -1.77 -2.82 115.58 114.92 1sqq h ASN 159 Ca 0.03 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.69 1sqq h ASN 159 Cb 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 1sqq h ASN 159 CO -0.01 0.05 -0.26 0.25 -1.06 0.00 0.00 177.43 176.40 1sqq h LEU 160 N 0.00 0.38 -0.29 1.61 6.46 -1.34 -2.41 115.31 119.71 1sqq h LEU 160 Ca -0.00 -0.60 -0.05 0.00 -0.12 0.00 0.00 57.88 57.11 1sqq h LEU 160 Cb 0.10 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 1sqq h LEU 160 CO 0.01 0.92 0.00 -0.37 -0.62 0.00 0.00 178.44 178.38 1sqq h VAL 161 N -0.14 1.25 0.00 1.05 -1.51 -1.34 -1.98 116.25 113.58 1sqq h VAL 161 Ca -0.01 -0.92 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 1sqq h VAL 161 Cb 0.88 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1sqq h VAL 161 CO 0.06 0.30 0.00 -0.33 -1.23 0.00 0.00 177.57 176.36 1sqq h GLU 162 N 0.31 0.00 0.08 5.19 5.08 -1.60 0.13 114.58 123.76 1sqq h GLU 162 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1sqq h GLU 162 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1sqq h GLU 162 CO 0.01 0.00 -0.51 2.35 -1.00 0.00 0.00 179.01 179.86 1sqq h TRP 163 N 0.00 0.37 0.00 4.33 7.01 -1.19 -2.61 115.95 123.85 1sqq h TRP 163 Ca 0.00 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 60.74 1sqq h TRP 163 Cb 0.39 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1sqq h TRP 163 CO 0.00 1.18 0.00 -0.84 -2.79 0.00 0.00 178.44 175.99 1sqq h ILE 164 N -0.55 0.00 0.11 2.65 -0.00 -1.05 -3.33 117.51 115.35 1sqq h ILE 164 Ca -0.09 -0.58 -0.18 0.00 -0.00 0.00 0.00 64.86 64.01 1sqq h ILE 164 Cb 1.38 1.53 0.01 0.00 -0.00 0.00 0.00 36.82 39.74 1sqq h ILE 164 CO 0.10 0.00 -0.85 -0.50 -0.00 0.00 0.00 178.15 176.90 1sqq h TRP 165 N 0.00 0.41 0.00 0.16 6.55 -0.86 -3.47 115.95 118.74 1sqq h TRP 165 Ca 0.00 -0.30 0.00 0.00 0.95 0.00 0.00 58.89 59.54 1sqq h TRP 165 Cb 0.70 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 28.99 1sqq h TRP 165 CO 0.00 1.33 0.00 0.41 -1.05 0.00 0.00 178.44 179.13 1sqq n GLY 166 N 1.66 1.00 0.00 1.49 0.00 -0.99 -4.07 105.19 104.29 1sqq n GLY 166 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1sqq n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqq n GLY 167 N -1.96 0.90 0.00 -0.02 0.00 -1.20 -4.84 105.19 98.07 1sqq n GLY 167 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.59 1sqq n GLY 167 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sqq n PHE 168 N -0.03 0.00 -3.72 1.61 3.72 -1.26 -4.55 117.46 113.23 1sqq n PHE 168 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 1sqq n PHE 168 Cb 0.00 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.48 1sqq n PHE 168 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sqq s SER 169 N -1.62 4.98 0.10 4.37 0.15 -1.26 -5.07 113.70 115.35 1sqq s SER 169 Ca 0.00 -0.75 -0.31 0.00 0.70 0.00 0.00 55.95 55.59 1sqq s SER 169 Cb 0.02 -0.64 -0.09 0.00 -1.71 0.00 0.00 66.02 63.60 1sqq s SER 169 CO 0.10 -0.56 1.65 -0.69 1.20 0.00 0.00 173.24 174.94 1sqq s VAL 170 N -2.46 2.85 0.00 4.45 1.01 -1.26 -4.72 120.40 120.27 1sqq s VAL 170 Ca 0.45 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1sqq s VAL 170 Cb -0.03 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1sqq s VAL 170 CO 0.27 0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.70 1sqq n ASP 171 N 5.14 0.00 -0.37 3.32 -0.08 -1.26 -5.05 116.55 118.25 1sqq n ASP 171 Ca 0.15 -0.55 -0.10 0.00 -1.51 0.00 0.00 54.79 52.79 1sqq n ASP 171 Cb 0.40 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.77 1sqq n ASP 171 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sqq n LYS 172 N 0.00 -0.38 -0.81 -0.67 5.02 -1.26 -2.99 118.16 117.07 1sqq n LYS 172 Ca 0.00 1.33 -0.11 0.00 -2.02 0.00 0.00 58.31 57.50 1sqq n LYS 172 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1sqq n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sqq n ALA 173 N -3.33 4.90 0.00 7.82 0.00 -1.26 -2.45 120.51 126.19 1sqq n ALA 173 Ca 0.02 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1sqq n ALA 173 Cb 0.23 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1sqq n ALA 173 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sqq n THR 174 N 0.93 0.00 -0.16 0.00 -1.04 -1.20 -4.19 114.28 108.62 1sqq n THR 174 Ca 0.22 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.15 1sqq n THR 174 Cb 0.57 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.10 1sqq n THR 174 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1sqq h LEU 175 N 0.00 0.56 0.00 -4.42 7.12 -1.38 -2.73 115.31 114.46 1sqq h LEU 175 Ca 0.00 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1sqq h LEU 175 Cb 0.00 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 39.99 1sqq h LEU 175 CO 0.00 0.41 -0.05 0.71 -0.13 0.00 0.00 178.44 179.38 1sqq h THR 176 N 0.66 0.58 0.00 1.05 1.35 -1.70 -1.34 112.91 113.50 1sqq h THR 176 Ca 0.18 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1sqq h THR 176 Cb -0.07 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1sqq h THR 176 CO -0.04 0.20 0.00 -1.14 -0.25 0.00 0.00 175.52 174.29 1sqq n ARG 177 N -4.71 0.00 -0.15 4.72 0.63 -1.26 -1.30 116.66 114.58 1sqq n ARG 177 Ca -0.04 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.81 1sqq n ARG 177 Cb 0.18 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.10 1sqq n ARG 177 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 1sqq h PHE 178 N 0.00 0.59 -0.64 -0.14 0.05 -1.23 -1.20 116.94 114.36 1sqq h PHE 178 Ca 0.00 0.01 0.13 0.00 3.82 0.00 0.00 57.97 61.93 1sqq h PHE 178 Cb 0.00 -0.19 -0.10 0.00 2.00 0.00 0.00 35.95 37.65 1sqq h PHE 178 CO 0.00 0.39 0.04 0.35 -0.18 0.00 0.00 178.31 178.91 1sqq h PHE 179 N 0.61 0.03 0.28 -0.55 -0.00 -0.35 0.54 116.94 117.51 1sqq h PHE 179 Ca 0.16 0.04 -0.01 0.00 -0.00 0.00 0.00 57.97 58.17 1sqq h PHE 179 Cb -0.04 0.08 0.00 0.00 -0.00 0.00 0.00 35.95 36.00 1sqq h PHE 179 CO -0.04 -0.14 -0.13 0.00 -0.00 0.00 0.00 178.31 178.00 1sqq h ALA 180 N 1.57 -0.37 -0.93 2.41 0.00 -0.49 0.23 119.26 121.67 1sqq h ALA 180 Ca 0.34 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1sqq h ALA 180 Cb 0.55 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1sqq h ALA 180 CO -0.52 -0.60 0.62 0.74 0.00 0.00 0.00 179.25 179.50 1sqq h PHE 181 N -0.60 1.17 0.00 0.00 0.04 -0.63 -1.04 116.94 115.88 1sqq h PHE 181 Ca -0.04 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 1sqq h PHE 181 Cb 0.43 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1sqq h PHE 181 CO 0.00 0.73 -0.33 1.25 -0.60 0.00 0.00 178.31 179.36 1sqq h HIS 182 N 1.26 0.00 -0.01 -0.55 2.76 0.27 0.22 115.15 119.10 1sqq h HIS 182 Ca 0.35 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1sqq h HIS 182 Cb -0.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.83 1sqq h HIS 182 CO -0.00 0.33 -0.02 0.35 -1.30 0.00 0.00 177.93 177.29 1sqq h PHE 183 N 0.00 0.03 -0.02 5.26 3.04 0.63 -3.38 116.94 122.50 1sqq h PHE 183 Ca -0.00 -0.01 -0.22 0.00 3.98 0.00 0.00 57.97 61.72 1sqq h PHE 183 Cb 0.81 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.32 1sqq h PHE 183 CO 0.00 0.60 -0.89 0.97 -2.02 0.00 0.00 178.31 176.97 1sqq h ILE 184 N -0.56 1.40 -0.79 1.41 2.10 -0.76 -3.38 117.51 116.93 1sqq h ILE 184 Ca -0.00 -2.39 0.10 0.00 1.08 0.00 0.00 64.86 63.65 1sqq h ILE 184 Cb 0.60 2.35 -0.08 0.00 -1.09 0.00 0.00 36.82 38.61 1sqq h ILE 184 CO 0.00 0.71 0.43 0.25 -1.08 0.00 0.00 178.15 178.47 1sqq h LEU 185 N 0.24 0.58 -2.05 2.19 5.85 -0.75 -0.19 115.31 121.19 1sqq h LEU 185 Ca -0.07 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1sqq h LEU 185 Cb 1.52 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.50 1sqq h LEU 185 CO 0.15 0.32 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.91 1sqq h PRO 186 N 0.70 0.00 -0.13 5.25 0.11 -1.79 0.23 132.00 136.37 1sqq h PRO 186 Ca 0.40 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.46 1sqq h PRO 186 Cb 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1sqq h PRO 186 CO -0.28 0.02 -0.10 0.74 -0.21 0.00 0.00 178.00 178.17 1sqq h PHE 187 N 0.00 0.35 -0.82 0.65 -1.00 -1.25 -0.44 116.94 114.43 1sqq h PHE 187 Ca -0.00 -0.10 0.03 0.00 2.81 0.00 0.00 57.97 60.71 1sqq h PHE 187 Cb 0.03 -0.08 -0.05 0.00 3.61 0.00 0.00 35.95 39.46 1sqq h PHE 187 CO 0.00 0.67 0.53 0.82 -1.61 0.00 0.00 178.31 178.72 1sqq h ILE 188 N -0.08 1.14 -0.73 -0.55 2.04 -1.27 -0.39 117.51 117.67 1sqq h ILE 188 Ca 0.02 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 65.67 1sqq h ILE 188 Cb 0.60 0.02 -0.14 0.00 -0.74 0.00 0.00 36.82 36.56 1sqq h ILE 188 CO 0.03 0.19 -0.25 0.40 0.00 0.00 0.00 178.15 178.51 1sqq h ILE 189 N 1.04 0.19 0.10 -0.67 2.04 -0.40 -1.47 117.51 118.34 1sqq h ILE 189 Ca 0.32 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.18 1sqq h ILE 189 Cb -0.02 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1sqq h ILE 189 CO -0.10 0.00 -0.05 -0.03 0.00 0.00 0.00 178.15 177.97 1sqq h MET 190 N -0.05 -0.13 -0.84 2.37 4.05 0.58 0.87 114.93 121.78 1sqq h MET 190 Ca 0.33 0.01 0.21 0.00 -0.28 0.00 0.00 59.70 59.97 1sqq h MET 190 Cb 0.56 0.03 -0.13 0.00 -0.80 0.00 0.00 31.60 31.26 1sqq h MET 190 CO -0.78 0.17 0.22 0.00 0.23 0.00 0.00 176.91 176.75 1sqq h ALA 191 N 0.43 1.18 -0.15 0.39 0.00 -1.21 0.74 119.26 120.63 1sqq h ALA 191 Ca -0.01 0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1sqq h ALA 191 Cb 0.36 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1sqq h ALA 191 CO 0.02 -0.42 -0.44 0.82 0.00 0.00 0.00 179.25 179.23 1sqq h ILE 192 N 0.23 1.32 -0.22 0.00 2.04 -0.72 -2.83 117.51 117.32 1sqq h ILE 192 Ca 0.51 -1.61 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 1sqq h ILE 192 Cb 0.99 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1sqq h ILE 192 CO -0.62 0.49 -0.24 0.00 0.00 0.00 0.00 178.15 177.78 1sqq h ALA 193 N 1.24 1.18 -0.79 1.87 0.00 0.14 0.12 119.26 123.02 1sqq h ALA 193 Ca 0.02 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1sqq h ALA 193 Cb 0.89 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1sqq h ALA 193 CO 0.07 0.53 0.49 0.52 0.00 0.00 0.00 179.25 180.86 1sqq h MET 194 N 0.36 0.89 0.06 0.00 2.86 -0.95 -1.88 114.93 116.27 1sqq h MET 194 Ca 0.06 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 1sqq h MET 194 Cb 0.63 -0.20 0.02 0.00 0.06 0.00 0.00 31.60 32.10 1sqq h MET 194 CO 0.04 0.59 -0.75 0.28 1.06 0.00 0.00 176.91 178.14 1sqq h VAL 195 N 0.92 1.44 -0.67 -2.22 2.07 -1.01 0.78 116.25 117.56 1sqq h VAL 195 Ca 0.33 -2.27 0.07 0.00 0.82 0.00 0.00 66.70 65.65 1sqq h VAL 195 Cb 0.10 2.80 -0.09 0.00 -1.52 0.00 0.00 31.29 32.59 1sqq h VAL 195 CO -0.15 0.66 -0.37 1.57 0.02 0.00 0.00 177.57 179.30 1sqq n HIS 196 N -4.14 -0.23 0.19 1.57 -0.00 0.30 -0.78 115.22 112.13 1sqq n HIS 196 Ca -0.12 0.84 0.10 0.00 -0.00 0.00 0.00 57.72 58.54 1sqq n HIS 196 Cb 0.76 -0.59 0.13 0.00 -0.00 0.00 0.00 29.99 30.28 1sqq n HIS 196 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1sqq h LEU 197 N 0.00 0.00 0.76 0.27 5.85 -0.45 -1.53 115.31 120.21 1sqq h LEU 197 Ca 0.13 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1sqq h LEU 197 Cb 0.30 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1sqq h LEU 197 CO -0.64 0.10 -0.37 0.25 -0.34 0.00 0.00 178.44 177.45 1sqq h LEU 198 N 0.00 -0.87 -0.97 2.25 5.85 1.00 -3.06 115.31 119.51 1sqq h LEU 198 Ca -0.00 0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.06 1sqq h LEU 198 Cb 1.08 0.22 -0.16 0.00 0.37 0.00 0.00 40.66 42.18 1sqq h LEU 198 CO 0.01 -0.52 0.43 -0.26 -0.34 0.00 0.00 178.44 177.77 1sqq h PHE 199 N -1.24 0.68 -0.91 1.25 0.04 -0.84 -1.02 116.94 114.91 1sqq h PHE 199 Ca -0.10 0.04 0.17 0.00 2.80 0.00 0.00 57.97 60.88 1sqq h PHE 199 Cb 0.79 -0.14 -0.10 0.00 2.20 0.00 0.00 35.95 38.69 1sqq h PHE 199 CO 0.01 -0.27 0.50 1.25 -0.60 0.00 0.00 178.31 179.20 1sqq h LEU 200 N 0.21 0.61 0.00 1.54 5.85 -1.25 -3.19 115.31 119.07 1sqq h LEU 200 Ca 0.70 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.51 1sqq h LEU 200 Cb 1.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1sqq h LEU 200 CO -0.68 0.22 -0.14 0.45 -0.34 0.00 0.00 178.44 177.95 1sqq h HIS 201 N 0.65 0.00 -1.00 1.25 3.86 -1.08 -1.14 115.15 117.69 1sqq h HIS 201 Ca 0.52 0.00 0.39 0.00 -1.16 0.00 0.00 60.37 60.12 1sqq h HIS 201 Cb 0.80 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.11 1sqq h HIS 201 CO -0.06 0.04 0.58 0.39 0.86 0.00 0.00 177.93 179.74 1sqq n GLU 202 N -3.07 -0.05 0.00 2.45 -0.58 -1.20 -3.71 120.64 114.48 1sqq n GLU 202 Ca 0.03 1.21 0.00 0.00 -0.42 0.00 0.00 57.16 57.99 1sqq n GLU 202 Cb 0.55 -2.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1sqq n GLU 202 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1sqq n THR 203 N -4.89 0.00 -0.93 2.62 -2.24 -0.69 -5.14 114.28 103.01 1sqq n THR 203 Ca 0.35 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.25 1sqq n THR 203 Cb 1.24 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1sqq n THR 203 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqq n GLY 204 N 2.05 -1.73 3.73 3.38 0.00 -0.52 -4.89 105.19 107.22 1sqq n GLY 204 Ca 0.00 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1sqq n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqq s SER 205 N -5.41 7.34 0.70 1.61 0.01 -1.26 -4.90 113.70 111.79 1sqq s SER 205 Ca 0.00 1.94 -0.16 0.00 1.31 0.00 0.00 55.95 59.04 1sqq s SER 205 Cb 0.00 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.52 1sqq s SER 205 CO 0.00 -0.19 -0.83 -3.20 0.41 0.00 0.00 173.24 169.43 1sqq n ASN 206 N 2.81 -3.15 -3.97 2.44 4.05 -1.26 -4.75 115.26 111.43 1sqq n ASN 206 Ca 0.03 0.06 -0.09 0.00 0.45 0.00 0.00 54.58 55.04 1sqq n ASN 206 Cb 0.48 -0.44 -0.08 0.00 1.23 0.00 0.00 39.78 40.97 1sqq n ASN 206 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 1sqq s ASN 207 N -0.70 0.15 0.54 1.20 2.20 -1.26 -4.86 114.94 112.20 1sqq s ASN 207 Ca 0.26 -0.86 0.20 0.00 -0.94 0.00 0.00 52.86 51.53 1sqq s ASN 207 Cb -0.02 0.36 1.11 0.00 -2.00 0.00 0.00 41.25 40.70 1sqq s ASN 207 CO 0.52 -0.79 1.58 -0.65 -2.94 0.00 0.00 177.10 174.82 1sqq h PRO 208 N 2.71 0.00 0.00 3.55 0.11 -1.95 -0.93 132.00 135.49 1sqq h PRO 208 Ca -0.33 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.59 1sqq h PRO 208 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1sqq h PRO 208 CO 0.54 0.00 -1.53 0.25 -0.21 0.00 0.00 178.00 177.05 1sqq n THR 209 N -2.53 1.21 -1.04 -1.15 -2.24 -1.26 -4.40 114.28 102.87 1sqq n THR 209 Ca -0.01 -0.71 -0.01 0.00 -2.27 0.00 0.00 64.05 61.04 1sqq n THR 209 Cb 0.43 -0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 1sqq n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqq n GLY 210 N 1.43 0.39 3.88 3.38 0.00 -0.35 -4.32 105.19 109.60 1sqq n GLY 210 Ca -0.12 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1sqq n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqq s ILE 211 N -1.65 5.43 0.20 -0.61 1.01 -1.26 -4.59 121.20 119.72 1sqq s ILE 211 Ca 0.00 0.18 -0.33 0.00 0.00 0.00 0.00 60.65 60.51 1sqq s ILE 211 Cb 0.00 -3.48 -0.13 0.00 0.01 0.00 0.00 42.46 38.87 1sqq s ILE 211 CO 0.00 0.52 1.66 -0.24 0.00 0.00 0.00 174.94 176.89 1sqq n SER 212 N 1.64 3.67 -1.38 3.58 2.88 -1.26 -4.82 113.62 117.92 1sqq n SER 212 Ca -0.16 1.07 0.09 0.00 -1.33 0.00 0.00 58.87 58.54 1sqq n SER 212 Cb 0.54 -1.52 0.32 0.00 -0.75 0.00 0.00 64.21 62.80 1sqq n SER 212 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1sqq n SER 213 N 3.65 4.42 -0.34 -3.46 3.41 -1.26 -4.54 113.62 115.51 1sqq n SER 213 Ca 0.16 -2.44 0.36 0.00 -0.26 0.00 0.00 58.87 56.69 1sqq n SER 213 Cb 0.33 -0.53 0.69 0.00 -0.26 0.00 0.00 64.21 64.44 1sqq n SER 213 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sqq h ASP 214 N 3.58 0.00 0.74 4.04 3.45 -1.99 0.21 116.42 126.45 1sqq h ASP 214 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1sqq h ASP 214 Cb 1.35 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.12 1sqq h ASP 214 CO 0.19 0.00 -0.68 0.52 -1.57 0.00 0.00 179.24 177.71 1sqq n VAL 215 N -3.81 0.27 -2.88 -1.35 0.31 -1.26 -3.91 118.33 105.70 1sqq n VAL 215 Ca 0.27 -0.23 -0.12 0.00 -0.01 0.00 0.00 64.34 64.25 1sqq n VAL 215 Cb 1.43 -0.02 0.04 0.00 -0.91 0.00 0.00 33.84 34.38 1sqq n VAL 215 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sqq n ASP 216 N -2.00 -1.56 -4.85 4.52 -0.08 0.70 -5.13 116.55 108.16 1sqq n ASP 216 Ca 0.03 -3.36 -0.34 0.00 -1.51 0.00 0.00 54.79 49.61 1sqq n ASP 216 Cb 0.42 1.11 -0.06 0.00 2.34 0.00 0.00 41.12 44.94 1sqq n ASP 216 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1sqq s LYS 217 N -0.34 4.01 0.17 -0.67 -0.14 -1.05 -2.54 119.74 119.18 1sqq s LYS 217 Ca 0.29 0.60 0.10 0.00 -1.36 0.00 0.00 55.97 55.60 1sqq s LYS 217 Cb 0.28 -2.65 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 1sqq s LYS 217 CO -0.11 0.29 -0.21 0.96 -0.76 0.00 0.00 175.35 175.53 1sqq s ILE 218 N -1.76 2.02 0.30 2.17 -4.36 0.27 -4.88 121.20 114.95 1sqq s ILE 218 Ca 0.48 -1.93 -0.29 0.00 -0.26 0.00 0.00 60.65 58.65 1sqq s ILE 218 Cb -0.13 -1.93 -0.10 0.00 1.25 0.00 0.00 42.46 41.56 1sqq s ILE 218 CO 0.19 -0.21 1.37 -2.16 0.24 0.00 0.00 174.94 174.37 1sqq s PRO 219 N -2.66 4.30 0.04 0.37 0.04 -1.26 0.16 135.00 135.99 1sqq s PRO 219 Ca 0.17 2.27 -0.09 0.00 0.04 0.00 0.00 61.00 63.39 1sqq s PRO 219 Cb -0.07 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 1sqq s PRO 219 CO 0.08 -0.31 1.16 0.35 0.04 0.00 0.00 177.00 178.31 1sqq h PHE 220 N 4.04 -0.49 -3.52 0.56 3.04 -1.34 -3.37 116.94 115.86 1sqq h PHE 220 Ca -0.48 0.02 -0.57 0.00 3.98 0.00 0.00 57.97 60.93 1sqq h PHE 220 Cb 1.22 0.23 0.15 0.00 2.56 0.00 0.00 35.95 40.11 1sqq h PHE 220 CO 0.57 -0.14 0.24 1.58 -2.02 0.00 0.00 178.31 178.54 1sqq n HIS 221 N -3.47 1.24 0.24 0.41 -0.00 -0.99 -0.38 115.22 112.28 1sqq n HIS 221 Ca -0.01 0.47 0.12 0.00 0.46 0.00 0.00 57.72 58.76 1sqq n HIS 221 Cb 0.10 -2.22 0.56 0.00 -0.12 0.00 0.00 29.99 28.31 1sqq n HIS 221 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1sqq h PRO 222 N 1.02 0.00 -0.75 1.57 0.13 -1.89 -3.45 132.00 128.64 1sqq h PRO 222 Ca -0.48 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1sqq h PRO 222 Cb 1.34 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.41 1sqq h PRO 222 CO 0.54 0.16 0.41 1.88 -0.23 0.00 0.00 178.00 180.76 1sqq h TYR 223 N 0.00 0.75 0.00 1.56 0.05 -1.45 -1.55 116.97 116.33 1sqq h TYR 223 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1sqq h TYR 223 Cb 0.62 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1sqq h TYR 223 CO 0.00 0.32 -1.60 0.66 -1.05 0.00 0.00 178.16 176.49 1sqq n TYR 224 N -4.78 0.08 0.07 4.88 4.01 0.49 -1.96 117.16 119.94 1sqq n TYR 224 Ca 0.11 0.02 -0.11 0.00 -0.16 0.00 0.00 57.90 57.76 1sqq n TYR 224 Cb 0.24 -0.40 -0.05 0.00 -0.31 0.00 0.00 39.34 38.81 1sqq n TYR 224 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1sqq h THR 225 N 0.00 0.71 -0.13 -0.72 1.35 -1.49 0.85 112.91 113.48 1sqq h THR 225 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.77 1sqq h THR 225 Cb 0.85 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1sqq h THR 225 CO 0.00 0.00 -0.27 -0.29 -0.25 0.00 0.00 175.52 174.71 1sqq h ILE 226 N -0.22 1.37 -0.85 6.82 6.09 -1.39 0.22 117.51 129.56 1sqq h ILE 226 Ca 0.03 -1.54 0.22 0.00 -1.37 0.00 0.00 64.86 62.20 1sqq h ILE 226 Cb 0.26 2.04 -0.14 0.00 0.47 0.00 0.00 36.82 39.45 1sqq h ILE 226 CO -0.10 0.45 0.18 0.50 -3.07 0.00 0.00 178.15 176.12 1sqq h LYS 227 N 0.00 0.18 -0.12 2.19 3.64 -1.48 -1.95 116.57 119.03 1sqq h LYS 227 Ca 0.00 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1sqq h LYS 227 Cb 0.86 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1sqq h LYS 227 CO 0.06 0.12 -0.54 -0.44 -2.27 0.00 0.00 179.45 176.38 1sqq h ASP 228 N 0.19 0.38 0.32 4.20 3.32 -0.22 -2.39 116.42 122.22 1sqq h ASP 228 Ca 0.52 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1sqq h ASP 228 Cb 1.01 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1sqq h ASP 228 CO -0.66 0.84 -0.15 0.40 -1.72 0.00 0.00 179.24 177.96 1sqq h ILE 229 N 0.27 0.71 -0.91 0.35 2.04 -0.36 0.31 117.51 119.91 1sqq h ILE 229 Ca 0.01 -0.38 0.16 0.00 1.00 0.00 0.00 64.86 65.64 1sqq h ILE 229 Cb 1.03 0.91 -0.16 0.00 -0.74 0.00 0.00 36.82 37.87 1sqq h ILE 229 CO 0.09 0.08 -0.30 -0.11 0.00 0.00 0.00 178.15 177.90 1sqq n LEU 230 N -5.19 -0.48 -0.29 1.44 7.94 -0.79 -1.47 117.00 118.16 1sqq n LEU 230 Ca -0.10 1.58 0.03 0.00 -1.11 0.00 0.00 56.01 56.41 1sqq n LEU 230 Cb 0.24 -0.41 0.17 0.00 0.53 0.00 0.00 43.42 43.95 1sqq n LEU 230 CO 0.33 -1.46 1.14 1.23 -1.11 0.00 0.00 177.39 177.51 1sqq h GLY 231 N 0.00 1.28 1.29 -3.96 0.00 -0.94 0.48 103.07 101.22 1sqq h GLY 231 Ca 0.37 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 1sqq h GLY 231 CO -0.92 0.12 -0.26 0.00 0.00 0.00 0.00 176.54 175.48 1sqq h ALA 232 N 1.46 0.81 0.00 3.60 0.00 0.17 -1.10 119.26 124.20 1sqq h ALA 232 Ca 0.40 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1sqq h ALA 232 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1sqq h ALA 232 CO -0.25 0.65 -0.23 1.25 0.00 0.00 0.00 179.25 180.67 1sqq h LEU 233 N 0.69 0.00 -0.01 0.00 5.85 -0.09 0.47 115.31 122.22 1sqq h LEU 233 Ca 0.09 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.67 1sqq h LEU 233 Cb 0.79 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.83 1sqq h LEU 233 CO 0.07 0.23 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.80 1sqq h LEU 234 N 0.00 0.49 -1.44 2.25 3.38 -0.81 -2.93 115.31 116.25 1sqq h LEU 234 Ca -0.00 -0.75 0.05 0.00 0.09 0.00 0.00 57.88 57.27 1sqq h LEU 234 Cb 0.73 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1sqq h LEU 234 CO 0.03 1.17 0.43 0.25 0.09 0.00 0.00 178.44 180.41 1sqq h LEU 235 N -0.15 0.61 -0.36 1.67 5.85 0.16 -1.69 115.31 121.40 1sqq h LEU 235 Ca -0.06 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.47 1sqq h LEU 235 Cb 1.24 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1sqq h LEU 235 CO 0.10 0.41 -0.74 0.40 -0.34 0.00 0.00 178.44 178.27 1sqq h ILE 236 N 0.70 1.36 -0.04 4.05 1.08 -0.23 0.16 117.51 124.58 1sqq h ILE 236 Ca 0.27 -2.12 0.03 0.00 -0.39 0.00 0.00 64.86 62.65 1sqq h ILE 236 Cb 0.20 2.10 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 1sqq h ILE 236 CO -0.08 0.64 -0.21 0.25 -0.69 0.00 0.00 178.15 178.06 1sqq h LEU 237 N 0.31 -0.63 -0.38 1.44 5.85 -1.21 0.42 115.31 121.11 1sqq h LEU 237 Ca -0.04 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1sqq h LEU 237 Cb 1.33 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 1sqq h LEU 237 CO 0.13 -0.27 0.20 0.00 -0.34 0.00 0.00 178.44 178.16 1sqq h ALA 238 N 0.61 0.49 -0.14 1.25 0.00 -1.25 -0.21 119.26 120.00 1sqq h ALA 238 Ca 0.07 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sqq h ALA 238 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1sqq h ALA 238 CO -0.23 0.02 -0.04 1.25 0.00 0.00 0.00 179.25 180.26 1sqq h LEU 239 N 0.48 -0.15 -0.64 0.00 5.85 -0.64 -2.84 115.31 117.38 1sqq h LEU 239 Ca 0.13 0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 1sqq h LEU 239 Cb 0.07 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1sqq h LEU 239 CO -0.02 -0.05 -0.60 0.24 -0.34 0.00 0.00 178.44 177.66 1sqq h MET 240 N -0.01 0.27 -0.40 1.25 2.86 0.25 -0.25 114.93 118.89 1sqq h MET 240 Ca 0.07 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1sqq h MET 240 Cb 0.12 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1sqq h MET 240 CO -0.15 0.79 0.22 -0.07 1.06 0.00 0.00 176.91 178.76 1sqq h LEU 241 N 0.20 0.50 0.28 1.22 3.38 -1.05 0.22 115.31 120.05 1sqq h LEU 241 Ca -0.01 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1sqq h LEU 241 Cb 1.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1sqq h LEU 241 CO 0.10 0.44 -0.40 -0.07 0.09 0.00 0.00 178.44 178.60 1sqq h LEU 242 N 0.52 -1.12 -1.06 1.67 4.07 -1.23 0.33 115.31 118.50 1sqq h LEU 242 Ca 0.14 0.11 -0.09 0.00 0.08 0.00 0.00 57.88 58.12 1sqq h LEU 242 Cb 0.05 0.40 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1sqq h LEU 242 CO -0.02 -0.51 -0.42 -0.37 -1.08 0.00 0.00 178.44 176.03 1sqq h VAL 243 N -0.73 1.12 0.00 1.22 -1.51 -0.88 -1.17 116.25 114.30 1sqq h VAL 243 Ca -0.01 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.92 1sqq h VAL 243 Cb 0.70 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1sqq h VAL 243 CO -0.14 0.41 -1.07 0.18 -1.23 0.00 0.00 177.57 175.73 1sqq n LEU 244 N -3.77 0.40 -0.02 4.19 4.77 0.76 -4.20 117.00 119.13 1sqq n LEU 244 Ca -0.01 -0.30 -0.02 0.00 -0.03 0.00 0.00 56.01 55.65 1sqq n LEU 244 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1sqq n LEU 244 CO 0.38 0.10 -0.62 0.49 -1.33 0.00 0.00 177.39 176.41 1sqq n PHE 245 N -1.60 0.00 -2.98 -1.77 3.72 0.08 -4.93 117.46 109.98 1sqq n PHE 245 Ca 0.01 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1sqq n PHE 245 Cb 0.28 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.64 1sqq n PHE 245 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sqq n ALA 246 N -2.28 3.14 0.24 4.37 0.00 -0.56 -4.96 120.51 120.45 1sqq n ALA 246 Ca -0.06 -3.74 0.14 0.00 0.00 0.00 0.00 53.44 49.77 1sqq n ALA 246 Cb 0.60 -0.85 0.58 0.00 0.00 0.00 0.00 19.45 19.77 1sqq n ALA 246 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1sqq h PRO 247 N 2.96 0.00 0.00 0.00 0.13 -1.43 -2.88 132.00 130.79 1sqq h PRO 247 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1sqq h PRO 247 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1sqq h PRO 247 CO 0.60 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 1sqq n ASP 248 N -2.97 1.07 -0.28 1.44 10.43 -1.26 -4.80 116.55 120.18 1sqq n ASP 248 Ca 0.02 -1.48 -0.03 0.00 2.57 0.00 0.00 54.79 55.87 1sqq n ASP 248 Cb 0.67 0.00 0.09 0.00 1.84 0.00 0.00 41.12 43.72 1sqq n ASP 248 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1sqq h LEU 249 N 0.00 0.83 -2.99 0.64 6.46 -1.88 -1.55 115.31 116.82 1sqq h LEU 249 Ca 0.00 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1sqq h LEU 249 Cb 0.62 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1sqq h LEU 249 CO 0.00 0.57 0.01 0.18 -0.62 0.00 0.00 178.44 178.58 1sqq n LEU 250 N -4.60 4.71 -3.79 2.25 4.77 -1.26 -4.91 117.00 114.17 1sqq n LEU 250 Ca 0.09 -2.39 -0.29 0.00 -0.03 0.00 0.00 56.01 53.39 1sqq n LEU 250 Cb 0.08 -0.65 -0.13 0.00 -2.33 0.00 0.00 43.42 40.39 1sqq n LEU 250 CO 0.34 0.55 -0.19 -0.83 -1.33 0.00 0.00 177.39 175.93 1sqq s GLY 251 N -0.60 2.13 -0.37 -0.72 0.00 -0.58 -4.78 107.32 102.40 1sqq s GLY 251 Ca 0.42 -3.05 -0.41 0.00 0.00 0.00 0.00 44.72 41.68 1sqq s GLY 251 CO 0.12 1.35 1.86 1.34 0.00 0.00 0.00 173.10 177.77 1sqq n ASP 252 N 3.00 1.88 0.29 1.64 2.03 -1.26 -4.86 116.55 119.27 1sqq n ASP 252 Ca 0.12 0.92 0.18 0.00 0.52 0.00 0.00 54.79 56.53 1sqq n ASP 252 Cb 0.35 -1.08 0.81 0.00 -0.72 0.00 0.00 41.12 40.48 1sqq n ASP 252 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1sqq h PRO 253 N 8.01 0.00 0.00 -0.67 0.13 -1.93 -2.99 132.00 134.55 1sqq h PRO 253 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1sqq h PRO 253 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1sqq h PRO 253 CO 1.00 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.54 1sqq n ASP 254 N -3.15 0.00 0.00 1.44 9.92 -1.26 -3.10 116.55 120.40 1sqq n ASP 254 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1sqq n ASP 254 Cb 0.25 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.73 1sqq n ASP 254 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1sqq n ASN 255 N -0.88 3.59 -4.59 -2.24 5.15 -1.13 -2.11 115.26 113.06 1sqq n ASN 255 Ca 0.00 -0.10 -0.31 0.00 -0.60 0.00 0.00 54.58 53.57 1sqq n ASN 255 Cb 0.00 0.92 0.18 0.00 -0.53 0.00 0.00 39.78 40.35 1sqq n ASN 255 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1sqq n TYR 256 N -1.27 0.09 -2.02 1.20 4.02 -1.18 -3.81 117.16 114.18 1sqq n TYR 256 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1sqq n TYR 256 Cb 0.00 -1.90 0.00 0.00 -0.02 0.00 0.00 39.34 37.42 1sqq n TYR 256 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1sqq n THR 257 N -4.35-10.73 -1.90 -0.72 -2.24 -1.26 -4.59 114.28 88.48 1sqq n THR 257 Ca 0.09 2.98 -0.37 0.00 -2.27 0.00 0.00 64.05 64.48 1sqq n THR 257 Cb 0.53 -4.61 0.04 0.00 -2.10 0.00 0.00 70.33 64.18 1sqq n THR 257 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1sqq s PRO 258 N -0.80 3.11 -0.31 -0.78 0.02 -1.26 -2.99 135.00 131.99 1sqq s PRO 258 Ca 0.00 2.05 -0.36 0.00 0.02 0.00 0.00 61.00 62.71 1sqq s PRO 258 Cb 0.00 -2.15 -0.12 0.00 0.02 0.00 0.00 34.50 32.25 1sqq s PRO 258 CO 0.00 -1.15 2.10 0.00 -0.33 0.00 0.00 177.00 177.62 1sqq n ALA 259 N -1.19 0.92 -2.86 -1.55 0.00 -0.76 -4.49 120.51 110.57 1sqq n ALA 259 Ca 0.11 0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 1sqq n ALA 259 Cb 0.47 -2.51 -0.12 0.00 0.00 0.00 0.00 19.45 17.29 1sqq n ALA 259 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1sqq s ASN 260 N 6.52 5.60 0.20 0.00 3.84 -1.26 -4.97 114.94 124.87 1sqq s ASN 260 Ca 1.06 -0.68 0.13 0.00 0.21 0.00 0.00 52.86 53.58 1sqq s ASN 260 Cb -0.86 -2.01 0.71 0.00 -0.55 0.00 0.00 41.25 38.55 1sqq s ASN 260 CO 0.51 -0.26 1.39 -2.65 -2.79 0.00 0.00 177.10 173.30 1sqq n PRO 261 N 4.98 0.08 0.00 0.43 -0.02 -1.26 -3.22 135.00 136.00 1sqq n PRO 261 Ca -0.13 0.57 0.04 0.00 -2.02 0.00 0.00 63.50 61.97 1sqq n PRO 261 Cb 0.48 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 1sqq n PRO 261 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sqq n LEU 262 N -1.96 0.83 0.00 2.45 4.77 -1.26 -4.76 117.00 117.07 1sqq n LEU 262 Ca -0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1sqq n LEU 262 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1sqq n LEU 262 CO 0.06 0.18 0.00 0.59 -1.33 0.00 0.00 177.39 176.88 1sqq n ASN 263 N -0.68 0.00 -1.11 -1.43 3.02 -1.20 -5.10 115.26 108.76 1sqq n ASN 263 Ca 0.03 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1sqq n ASN 263 Cb 0.17 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1sqq n ASN 263 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1sqq n THR 264 N 0.00 -2.44 -0.90 3.41 -1.04 -1.26 -5.13 114.28 106.91 1sqq n THR 264 Ca 0.00 0.08 -0.31 0.00 -2.04 0.00 0.00 64.05 61.78 1sqq n THR 264 Cb 0.00 -3.16 0.14 0.00 -1.82 0.00 0.00 70.33 65.49 1sqq n THR 264 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1sqq s PRO 265 N -1.81 1.44 0.00 -2.82 0.02 -1.26 -5.05 135.00 125.52 1sqq s PRO 265 Ca -0.00 1.45 -0.09 0.00 0.02 0.00 0.00 61.00 62.38 1sqq s PRO 265 Cb 0.00 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.69 1sqq s PRO 265 CO 0.00 -2.30 0.81 -1.35 -0.33 0.00 0.00 177.00 173.83 1sqq h PRO 266 N -1.57 -0.32 -6.99 5.54 0.11 -2.04 -3.40 132.00 123.33 1sqq h PRO 266 Ca -0.43 0.02 -0.53 0.00 0.11 0.00 0.00 66.00 65.17 1sqq h PRO 266 Cb 1.26 0.07 0.09 0.00 0.11 0.00 0.00 31.00 32.53 1sqq h PRO 266 CO 0.45 -0.21 0.57 -3.38 -0.21 0.00 0.00 178.00 175.22 1sqq s HIS 267 N -3.14 2.70 -0.77 0.65 -3.43 -1.26 -5.04 115.29 104.99 1sqq s HIS 267 Ca -0.05 1.44 -0.02 0.00 -0.80 0.00 0.00 55.06 55.63 1sqq s HIS 267 Cb 0.00 -3.62 0.19 0.00 -1.43 0.00 0.00 32.58 27.73 1sqq s HIS 267 CO 0.15 -2.13 0.63 0.42 -2.00 0.00 0.00 174.74 171.81 1sqq s ILE 268 N -1.36 4.06 -0.29 -5.38 1.01 -1.26 -5.09 121.20 112.89 1sqq s ILE 268 Ca 0.63 -3.47 -0.13 0.00 0.00 0.00 0.00 60.65 57.67 1sqq s ILE 268 Cb -0.36 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1sqq s ILE 268 CO 0.44 -1.00 0.28 -0.75 0.00 0.00 0.00 174.94 173.92 1sqq s LYS 269 N -0.78 3.88 1.01 2.79 2.20 -1.26 -5.02 119.74 122.56 1sqq s LYS 269 Ca 0.23 -0.24 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 1sqq s LYS 269 Cb -0.13 -3.69 0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1sqq s LYS 269 CO -0.09 -0.29 0.20 -2.30 -0.36 0.00 0.00 175.35 172.51 1sqq n PRO 270 N 5.20 -0.71 -1.46 4.03 -0.02 -1.26 -4.99 135.00 135.79 1sqq n PRO 270 Ca -0.11 -0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 60.82 1sqq n PRO 270 Cb 0.51 -1.76 0.05 0.00 -0.02 0.00 0.00 33.50 32.29 1sqq n PRO 270 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1sqq n GLU 271 N -1.59 0.58 0.00 -0.52 -0.58 -1.26 -4.92 120.64 112.35 1sqq n GLU 271 Ca 0.04 0.23 0.16 0.00 -0.42 0.00 0.00 57.16 57.17 1sqq n GLU 271 Cb 0.57 -1.93 0.61 0.00 -0.57 0.00 0.00 31.44 30.12 1sqq n GLU 271 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 1sqq h TRP 272 N 0.12 0.17 0.00 -0.32 5.08 -1.96 -1.88 115.95 117.16 1sqq h TRP 272 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 1sqq h TRP 272 Cb 1.37 -0.05 0.00 0.00 -3.00 0.00 0.00 29.16 27.48 1sqq h TRP 272 CO 0.34 0.08 0.00 2.48 -1.28 0.00 0.00 178.44 180.06 1sqq n TYR 273 N -4.44 0.00 0.58 0.12 4.11 -1.26 -2.12 117.16 114.15 1sqq n TYR 273 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.05 1sqq n TYR 273 Cb 0.45 -0.23 0.01 0.00 -0.00 0.00 0.00 39.34 39.58 1sqq n TYR 273 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 1sqq n PHE 274 N -1.23 0.00 -0.02 -3.48 3.72 -0.71 -4.78 117.46 110.97 1sqq n PHE 274 Ca 0.13 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.43 1sqq n PHE 274 Cb 0.17 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 1sqq n PHE 274 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1sqq h LEU 275 N 1.76 0.14 -0.77 4.37 3.38 -1.45 0.30 115.31 123.04 1sqq h LEU 275 Ca 0.00 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1sqq h LEU 275 Cb 0.47 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 1sqq h LEU 275 CO 0.00 0.10 0.24 2.19 0.09 0.00 0.00 178.44 181.06 1sqq h PHE 276 N 0.17 0.39 0.09 1.13 -0.00 -1.75 -0.90 116.94 116.07 1sqq h PHE 276 Ca 0.05 0.04 -0.29 0.00 -0.00 0.00 0.00 57.97 57.78 1sqq h PHE 276 Cb -0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 35.95 35.88 1sqq h PHE 276 CO -0.08 -0.05 -1.43 0.00 -0.00 0.00 0.00 178.31 176.75 1sqq h ALA 277 N 1.62 0.30 -0.13 12.09 0.00 -1.46 -2.32 119.26 129.37 1sqq h ALA 277 Ca 0.44 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1sqq h ALA 277 Cb 0.76 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1sqq h ALA 277 CO -0.50 1.17 0.03 -0.92 0.00 0.00 0.00 179.25 179.03 1sqq h TYR 278 N 0.05 0.21 -0.79 0.00 3.20 -0.10 -0.75 116.97 118.80 1sqq h TYR 278 Ca -0.20 -0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.72 1sqq h TYR 278 Cb 1.98 -0.06 -0.10 0.00 1.54 0.00 0.00 36.73 40.08 1sqq h TYR 278 CO 0.05 0.36 -0.53 0.00 -1.64 0.00 0.00 178.16 176.40 1sqq h ALA 279 N 0.82 -0.56 -0.75 1.82 0.00 -1.19 -1.55 119.26 117.86 1sqq h ALA 279 Ca 0.04 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1sqq h ALA 279 Cb 0.26 1.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 1sqq h ALA 279 CO 0.00 -0.91 0.27 0.82 0.00 0.00 0.00 179.25 179.44 1sqq h ILE 280 N -0.08 0.62 -0.25 0.00 2.04 -1.24 -2.39 117.51 116.21 1sqq h ILE 280 Ca 0.13 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1sqq h ILE 280 Cb 0.41 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1sqq h ILE 280 CO -0.79 0.07 0.12 0.25 0.00 0.00 0.00 178.15 177.81 1sqq h LEU 281 N 0.40 0.32 -0.61 1.44 5.85 -0.27 -2.44 115.31 120.00 1sqq h LEU 281 Ca 0.42 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1sqq h LEU 281 Cb 0.65 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1sqq h LEU 281 CO -0.43 0.35 0.00 -2.11 -0.34 0.00 0.00 178.44 175.92 1sqq n ARG 282 N -4.82 1.40 -0.02 1.25 1.85 -0.67 -3.64 116.66 112.01 1sqq n ARG 282 Ca -0.03 -0.60 -0.09 0.00 -1.00 0.00 0.00 57.85 56.13 1sqq n ARG 282 Cb 0.10 -1.31 0.07 0.00 -1.05 0.00 0.00 32.46 30.26 1sqq n ARG 282 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1sqq h SER 283 N 1.18 0.68 -3.37 2.89 0.02 -0.95 -3.41 113.55 110.57 1sqq h SER 283 Ca 0.00 -0.32 -0.56 0.00 -0.84 0.00 0.00 61.79 60.07 1sqq h SER 283 Cb 0.26 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1sqq h SER 283 CO 0.00 1.03 0.11 -0.63 -1.14 0.00 0.00 176.83 176.20 1sqq s ILE 284 N -4.19 4.97 0.23 3.27 1.01 -1.24 -4.82 121.20 120.44 1sqq s ILE 284 Ca -0.08 1.49 -0.07 0.00 0.00 0.00 0.00 60.65 61.99 1sqq s ILE 284 Cb 0.12 -4.06 0.22 0.00 0.01 0.00 0.00 42.46 38.75 1sqq s ILE 284 CO 0.84 0.28 1.87 -0.65 0.00 0.00 0.00 174.94 177.28 1sqq h PRO 285 N 6.47 1.27 -6.49 2.79 0.11 -1.89 -3.43 132.00 130.83 1sqq h PRO 285 Ca -0.42 -0.13 -0.54 0.00 0.11 0.00 0.00 66.00 65.02 1sqq h PRO 285 Cb 1.20 -0.26 0.04 0.00 0.11 0.00 0.00 31.00 32.09 1sqq h PRO 285 CO 0.74 0.91 1.11 -1.71 -0.21 0.00 0.00 178.00 178.84 1sqq n ASN 286 N -4.35 4.00 -0.34 -2.05 2.85 -1.26 -4.92 115.26 109.19 1sqq n ASN 286 Ca 0.10 0.98 -0.10 0.00 -0.11 0.00 0.00 54.58 55.46 1sqq n ASN 286 Cb 0.08 -1.53 -0.07 0.00 1.24 0.00 0.00 39.78 39.50 1sqq n ASN 286 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1sqq h LYS 287 N 8.66 -0.09 -0.03 1.20 1.57 -1.96 0.12 116.57 126.03 1sqq h LYS 287 Ca -0.47 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1sqq h LYS 287 Cb 1.23 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1sqq h LYS 287 CO 0.95 -0.06 -0.08 1.25 -0.57 0.00 0.00 179.45 180.94 1sqq h LEU 288 N -0.09 0.11 -0.81 2.94 5.85 -1.92 -1.79 115.31 119.60 1sqq h LEU 288 Ca 0.18 -0.61 0.13 0.00 0.84 0.00 0.00 57.88 58.41 1sqq h LEU 288 Cb 0.49 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 1sqq h LEU 288 CO -0.86 0.71 0.42 1.23 -0.34 0.00 0.00 178.44 179.60 1sqq h GLY 289 N -0.47 1.29 0.77 3.75 0.00 -1.95 0.17 103.07 106.63 1sqq h GLY 289 Ca -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1sqq h GLY 289 CO 0.02 0.01 -0.02 -1.33 0.00 0.00 0.00 176.54 175.22 1sqq h GLY 290 N 0.64 -0.05 0.97 4.60 0.00 -0.56 0.18 103.07 108.85 1sqq h GLY 290 Ca 0.43 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.72 1sqq h GLY 290 CO -0.33 -0.02 0.10 -0.24 0.00 0.00 0.00 176.54 176.05 1sqq h VAL 291 N -0.27 1.24 -0.23 4.60 3.04 -1.13 -0.69 116.25 122.81 1sqq h VAL 291 Ca -0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 1sqq h VAL 291 Cb 0.25 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.42 1sqq h VAL 291 CO 0.01 0.31 0.15 -0.07 -1.01 0.00 0.00 177.57 176.96 1sqq h LEU 292 N 0.65 0.26 -0.19 3.16 4.07 -0.57 -1.31 115.31 121.39 1sqq h LEU 292 Ca 0.15 -0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.88 1sqq h LEU 292 Cb 0.36 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1sqq h LEU 292 CO 0.01 0.19 -0.94 0.00 -1.08 0.00 0.00 178.44 176.62 1sqq h ALA 293 N 1.86 0.39 0.21 1.53 0.00 -0.18 -1.40 119.26 121.66 1sqq h ALA 293 Ca 0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1sqq h ALA 293 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sqq h ALA 293 CO -0.02 0.84 -0.10 1.25 0.00 0.00 0.00 179.25 181.22 1sqq h LEU 294 N 0.20 -0.24 -0.41 0.00 5.85 -0.58 0.15 115.31 120.28 1sqq h LEU 294 Ca -0.07 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.47 1sqq h LEU 294 Cb 1.57 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 1sqq h LEU 294 CO 0.16 0.09 -0.24 0.00 -0.34 0.00 0.00 178.44 178.11 1sqq n ALA 295 N -2.39 -0.26 0.31 1.25 0.00 -0.55 -1.81 120.51 117.06 1sqq n ALA 295 Ca -0.09 0.34 0.16 0.00 0.00 0.00 0.00 53.44 53.86 1sqq n ALA 295 Cb 0.23 0.05 0.73 0.00 0.00 0.00 0.00 19.45 20.46 1sqq n ALA 295 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1sqq h PHE 296 N 0.00 0.00 0.00 0.00 -0.00 -0.72 -1.94 116.94 114.28 1sqq h PHE 296 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.02 1sqq h PHE 296 Cb 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.11 1sqq h PHE 296 CO -0.63 0.00 -0.09 0.66 -0.00 0.00 0.00 178.31 178.25 1sqq h SER 297 N 0.00 0.00 0.00 0.41 4.64 0.07 -2.58 113.55 116.09 1sqq h SER 297 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 1sqq h SER 297 Cb 0.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 1sqq h SER 297 CO 0.00 0.09 -1.93 -0.38 -0.87 0.00 0.00 176.83 173.74 1sqq n ILE 298 N -3.18 0.91 0.31 0.95 -0.00 -0.76 -4.61 119.36 112.98 1sqq n ILE 298 Ca 0.01 -0.23 0.11 0.00 -0.00 0.00 0.00 62.75 62.64 1sqq n ILE 298 Cb 0.42 -1.72 0.57 0.00 -0.00 0.00 0.00 39.64 38.91 1sqq n ILE 298 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1sqq h LEU 299 N -0.59 0.00 -1.82 1.39 3.38 -1.60 0.73 115.31 116.80 1sqq h LEU 299 Ca -0.42 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.78 1sqq h LEU 299 Cb 1.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 1sqq h LEU 299 CO -0.25 0.00 0.72 -0.29 0.09 0.00 0.00 178.44 178.71 1sqq h ILE 300 N 0.00 0.33 -0.25 1.22 6.09 -1.71 -2.54 117.51 120.64 1sqq h ILE 300 Ca 0.00 0.00 -0.12 0.00 -1.37 0.00 0.00 64.86 63.37 1sqq h ILE 300 Cb 0.94 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 1sqq h ILE 300 CO 0.00 0.00 -0.34 -0.07 -3.07 0.00 0.00 178.15 174.67 1sqq h LEU 301 N 0.00 0.56 0.00 2.19 3.38 -1.16 -0.49 115.31 119.79 1sqq h LEU 301 Ca 0.38 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1sqq h LEU 301 Cb 1.82 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1sqq h LEU 301 CO -0.00 0.86 0.00 0.00 0.09 0.00 0.00 178.44 179.39 1sqq n ALA 302 N -2.50 1.54 -0.09 1.53 0.00 -0.96 -2.45 120.51 117.59 1sqq n ALA 302 Ca -0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 1sqq n ALA 302 Cb 0.47 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 1sqq n ALA 302 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sqq n LEU 303 N -1.13 0.86 -0.23 0.00 4.77 -0.20 -4.72 117.00 116.34 1sqq n LEU 303 Ca 0.03 0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1sqq n LEU 303 Cb 0.02 0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1sqq n LEU 303 CO 0.03 0.59 0.67 0.40 -1.33 0.00 0.00 177.39 177.75 1sqq h ILE 304 N 0.00 0.22 -1.12 -0.08 2.04 -1.33 0.40 117.51 117.65 1sqq h ILE 304 Ca -0.51 0.00 0.32 0.00 1.00 0.00 0.00 64.86 65.67 1sqq h ILE 304 Cb 2.13 0.22 -0.10 0.00 -0.74 0.00 0.00 36.82 38.34 1sqq h ILE 304 CO 0.02 0.00 0.72 -0.65 0.00 0.00 0.00 178.15 178.24 1sqq h PRO 305 N -0.08 0.28 0.00 2.37 0.11 -1.85 0.27 132.00 133.10 1sqq h PRO 305 Ca 0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1sqq h PRO 305 Cb 0.54 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1sqq h PRO 305 CO -0.71 0.19 0.00 1.28 -0.21 0.00 0.00 178.00 178.55 1sqq n LEU 306 N -4.63 0.60 -1.84 2.35 4.32 0.14 -2.97 117.00 114.97 1sqq n LEU 306 Ca 0.29 0.60 -0.21 0.00 -0.02 0.00 0.00 56.01 56.66 1sqq n LEU 306 Cb 1.04 -0.45 0.07 0.00 -1.62 0.00 0.00 43.42 42.46 1sqq n LEU 306 CO 0.24 -0.31 0.51 0.18 -1.22 0.00 0.00 177.39 176.80 1sqq n LEU 307 N -2.10 5.15 0.05 2.23 4.77 0.94 -4.81 117.00 123.23 1sqq n LEU 307 Ca 0.04 -4.45 -0.12 0.00 -0.03 0.00 0.00 56.01 51.45 1sqq n LEU 307 Cb 0.32 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1sqq n LEU 307 CO 0.24 1.81 0.50 -0.74 -1.33 0.00 0.00 177.39 177.87 1sqq h HIS 308 N 1.87 -0.17 0.00 -1.77 2.76 -1.53 -3.41 115.15 112.90 1sqq h HIS 308 Ca 0.36 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1sqq h HIS 308 Cb 1.38 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.40 1sqq h HIS 308 CO 0.99 0.27 0.00 -2.37 -1.30 0.00 0.00 177.93 175.52 1sqq n THR 309 N -4.94 0.00 -2.77 6.26 5.66 -1.26 -4.90 114.28 112.33 1sqq n THR 309 Ca -0.08 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.56 1sqq n THR 309 Cb 0.27 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.98 1sqq n THR 309 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1sqq s SER 310 N 0.00 7.10 0.03 1.09 0.15 -1.26 -4.62 113.70 116.19 1sqq s SER 310 Ca 0.00 1.80 0.27 0.00 0.70 0.00 0.00 55.95 58.71 1sqq s SER 310 Cb 0.00 -2.56 0.85 0.00 -1.71 0.00 0.00 66.02 62.60 1sqq s SER 310 CO 0.00 -0.24 1.67 0.29 1.20 0.00 0.00 173.24 176.16 1sqq n LYS 311 N -0.03 0.05 -4.06 5.44 5.02 -1.26 -4.77 118.16 118.55 1sqq n LYS 311 Ca 0.04 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 1sqq n LYS 311 Cb 0.52 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1sqq n LYS 311 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1sqq s GLN 312 N -3.03 2.85 -0.04 1.97 -0.21 -1.26 -5.05 119.66 114.89 1sqq s GLN 312 Ca 0.12 -0.74 -0.22 0.00 0.02 0.00 0.00 55.36 54.53 1sqq s GLN 312 Cb 0.17 -2.69 -0.17 0.00 1.00 0.00 0.00 33.01 31.33 1sqq s GLN 312 CO 0.61 0.55 0.98 -0.09 -2.12 0.00 0.00 175.29 175.22 1sqq h ARG 313 N 3.14 -0.21 -7.00 2.91 2.43 -1.86 -3.47 114.38 110.31 1sqq h ARG 313 Ca -0.47 0.01 -0.46 0.00 -0.81 0.00 0.00 59.98 58.26 1sqq h ARG 313 Cb 1.17 0.05 0.07 0.00 -0.42 0.00 0.00 29.97 30.84 1sqq h ARG 313 CO 0.65 0.22 0.05 0.45 -1.51 0.00 0.00 179.97 179.83 1sqq s SER 314 N -5.45 4.75 0.08 -3.80 0.15 -1.26 -4.13 113.70 104.04 1sqq s SER 314 Ca -0.13 -0.20 0.24 0.00 0.70 0.00 0.00 55.95 56.56 1sqq s SER 314 Cb 0.01 -0.39 0.31 0.00 -1.71 0.00 0.00 66.02 64.23 1sqq s SER 314 CO 0.51 -1.56 1.27 0.23 1.20 0.00 0.00 173.24 174.90 1sqq n MET 315 N -2.63 0.23 -0.26 5.44 2.81 -0.42 -4.65 117.12 117.64 1sqq n MET 315 Ca 0.12 0.05 0.18 0.00 -1.81 0.00 0.00 57.70 56.24 1sqq n MET 315 Cb 0.60 -1.63 0.49 0.00 -0.71 0.00 0.00 33.22 31.98 1sqq n MET 315 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1sqq h MET 316 N 0.00 0.43 -0.53 0.03 -1.53 -1.83 0.70 114.93 112.20 1sqq h MET 316 Ca 0.00 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 1sqq h MET 316 Cb 0.69 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.64 1sqq h MET 316 CO 0.00 0.29 0.00 1.19 0.14 0.00 0.00 176.91 178.53 1sqq n PHE 317 N -4.54 1.40 -3.86 1.39 3.72 -1.26 -4.87 117.46 109.44 1sqq n PHE 317 Ca 0.20 -0.68 -0.29 0.00 -0.05 0.00 0.00 57.45 56.63 1sqq n PHE 317 Cb 0.69 -0.29 -0.13 0.00 -0.94 0.00 0.00 39.48 38.81 1sqq n PHE 317 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1sqq s ARG 318 N -2.15 2.01 0.30 -1.08 1.70 0.24 -5.01 118.95 114.96 1sqq s ARG 318 Ca 0.47 -2.80 0.03 0.00 -0.47 0.00 0.00 55.73 52.96 1sqq s ARG 318 Cb 0.33 -3.09 0.47 0.00 -0.57 0.00 0.00 34.95 32.10 1sqq s ARG 318 CO 0.19 -1.21 1.77 -1.35 -1.08 0.00 0.00 175.30 173.61 1sqq h PRO 319 N 6.01 0.47 -0.83 3.89 0.11 -1.90 -1.68 132.00 138.08 1sqq h PRO 319 Ca 0.05 -0.16 0.19 0.00 0.11 0.00 0.00 66.00 66.19 1sqq h PRO 319 Cb 0.84 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 31.79 1sqq h PRO 319 CO 0.65 0.65 0.32 -0.07 -0.21 0.00 0.00 178.00 179.34 1sqq h LEU 320 N 0.43 0.24 0.01 2.35 -0.00 -1.94 -2.70 115.31 113.69 1sqq h LEU 320 Ca 0.07 0.14 -0.35 0.00 -0.00 0.00 0.00 57.88 57.74 1sqq h LEU 320 Cb 0.58 0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 41.31 1sqq h LEU 320 CO 0.04 0.01 -2.22 -1.54 -0.00 0.00 0.00 178.44 174.74 1sqq n SER 321 N -5.06 0.50 -0.26 -0.43 3.41 -0.71 -2.39 113.62 108.68 1sqq n SER 321 Ca 0.19 0.10 0.02 0.00 -0.26 0.00 0.00 58.87 58.91 1sqq n SER 321 Cb 0.55 0.52 0.07 0.00 -0.26 0.00 0.00 64.21 65.10 1sqq n SER 321 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqq n GLN 322 N -2.90 -0.10 0.03 4.33 6.02 -0.76 0.29 117.38 124.28 1sqq n GLN 322 Ca -0.30 1.09 -0.11 0.00 -0.01 0.00 0.00 57.00 57.67 1sqq n GLN 322 Cb 1.11 -1.63 0.02 0.00 1.02 0.00 0.00 30.24 30.77 1sqq n GLN 322 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sqq h LEU 324 N 0.34 0.27 0.09 0.00 3.38 -1.01 -2.11 115.31 116.26 1sqq h LEU 324 Ca -0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sqq h LEU 324 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1sqq h LEU 324 CO 0.12 0.87 -0.04 0.15 0.09 0.00 0.00 178.44 179.63 1sqq h PHE 325 N 0.16 -0.11 -0.21 1.13 3.57 0.07 -1.17 116.94 120.37 1sqq h PHE 325 Ca -0.02 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 1sqq h PHE 325 Cb 1.22 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 1sqq h PHE 325 CO 0.02 0.04 -0.45 -1.49 -2.23 0.00 0.00 178.31 174.20 1sqq h TRP 326 N -0.24 0.66 -0.84 0.41 4.06 -1.29 0.41 115.95 119.13 1sqq h TRP 326 Ca -0.01 -0.20 0.19 0.00 2.06 0.00 0.00 58.89 60.92 1sqq h TRP 326 Cb 0.20 -0.14 -0.11 0.00 -1.00 0.00 0.00 29.16 28.11 1sqq h TRP 326 CO -0.03 0.90 0.33 0.00 -3.56 0.00 0.00 178.44 176.08 1sqq h ALA 327 N 1.07 1.26 -0.70 1.49 0.00 -1.36 0.33 119.26 121.35 1sqq h ALA 327 Ca 0.03 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1sqq h ALA 327 Cb 0.96 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1sqq h ALA 327 CO 0.09 -0.30 0.45 1.25 0.00 0.00 0.00 179.25 180.73 1sqq h LEU 328 N 0.39 0.74 -0.02 0.00 6.46 0.34 0.56 115.31 123.79 1sqq h LEU 328 Ca 0.50 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.24 1sqq h LEU 328 Cb 0.88 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1sqq h LEU 328 CO -0.50 0.52 -0.02 0.58 -0.62 0.00 0.00 178.44 178.40 1sqq h VAL 329 N 0.88 1.38 0.00 1.05 2.07 -0.10 0.89 116.25 122.41 1sqq h VAL 329 Ca 0.28 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1sqq h VAL 329 Cb -0.01 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1sqq h VAL 329 CO -0.10 0.31 -0.27 0.00 0.02 0.00 0.00 177.57 177.53 1sqq h ALA 330 N 0.53 1.33 -0.64 1.67 0.00 -0.36 0.20 119.26 121.99 1sqq h ALA 330 Ca 0.00 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1sqq h ALA 330 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1sqq h ALA 330 CO 0.01 0.34 0.07 0.22 0.00 0.00 0.00 179.25 179.88 1sqq h ASP 331 N 0.00 1.05 -0.50 0.00 -0.00 0.32 -1.81 116.42 115.48 1sqq h ASP 331 Ca -0.00 -0.28 -0.07 0.00 -0.00 0.00 0.00 57.03 56.68 1sqq h ASP 331 Cb 0.56 -0.28 -0.02 0.00 -0.00 0.00 0.00 39.33 39.59 1sqq h ASP 331 CO 0.04 1.07 0.07 -0.07 -0.00 0.00 0.00 179.24 180.35 1sqq h LEU 332 N 1.00 0.84 -0.99 2.28 3.38 0.05 -1.32 115.31 120.55 1sqq h LEU 332 Ca 0.19 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1sqq h LEU 332 Cb 0.49 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1sqq h LEU 332 CO 0.02 0.86 0.23 0.25 0.09 0.00 0.00 178.44 179.89 1sqq h LEU 333 N 0.84 0.89 -0.29 1.67 5.85 -0.45 0.13 115.31 123.95 1sqq h LEU 333 Ca 0.17 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1sqq h LEU 333 Cb 0.39 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1sqq h LEU 333 CO 0.01 0.81 0.14 0.74 -0.34 0.00 0.00 178.44 179.80 1sqq h THR 334 N 0.94 0.98 -0.24 1.05 2.02 -1.06 -2.01 112.91 114.59 1sqq h THR 334 Ca 0.22 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 1sqq h THR 334 Cb 0.22 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1sqq h THR 334 CO -0.01 0.05 -0.32 -0.07 0.37 0.00 0.00 175.52 175.54 1sqq h LEU 335 N 0.29 0.50 -0.17 2.58 3.38 0.03 -0.48 115.31 121.43 1sqq h LEU 335 Ca 0.12 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1sqq h LEU 335 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1sqq h LEU 335 CO -0.09 0.80 0.01 0.71 0.09 0.00 0.00 178.44 179.96 1sqq h THR 336 N 0.42 1.24 -0.53 0.22 1.35 -0.69 -2.38 112.91 112.55 1sqq h THR 336 Ca 0.05 -0.81 0.11 0.00 -0.55 0.00 0.00 66.41 65.21 1sqq h THR 336 Cb 0.77 1.44 -0.09 0.00 -1.73 0.00 0.00 68.15 68.53 1sqq h THR 336 CO 0.06 0.24 -0.05 -0.25 -0.25 0.00 0.00 175.52 175.27 1sqq h TRP 337 N 0.06 -0.13 -0.23 4.73 7.01 -0.96 -2.41 115.95 124.03 1sqq h TRP 337 Ca 0.05 0.04 -0.18 0.00 2.11 0.00 0.00 58.89 60.92 1sqq h TRP 337 Cb 0.36 0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.55 1sqq h TRP 337 CO 0.03 -0.17 -0.57 0.82 -2.79 0.00 0.00 178.44 175.76 1sqq h ILE 338 N 0.07 1.30 -0.00 2.65 1.08 -0.87 -2.22 117.51 119.52 1sqq h ILE 338 Ca 0.26 -1.79 -0.10 0.00 -0.39 0.00 0.00 64.86 62.85 1sqq h ILE 338 Cb 0.41 1.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.88 1sqq h ILE 338 CO -0.49 0.57 -0.45 1.23 -0.69 0.00 0.00 178.15 178.32 1sqq h GLY 339 N 0.88 0.00 -1.78 5.37 0.00 -1.37 -3.06 103.07 103.11 1sqq h GLY 339 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sqq h GLY 339 CO 0.12 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.27 1sqq n GLY 340 N -0.23 0.92 3.64 4.60 0.00 -0.84 -4.80 105.19 108.49 1sqq n GLY 340 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1sqq n GLY 340 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sqq s GLN 341 N 0.18 0.44 0.87 1.61 2.00 -1.16 -5.04 119.66 118.55 1sqq s GLN 341 Ca 0.00 0.71 -0.13 0.00 -2.00 0.00 0.00 55.36 53.95 1sqq s GLN 341 Cb 0.00 0.11 0.07 0.00 0.80 0.00 0.00 33.01 33.99 1sqq s GLN 341 CO 0.00 -0.08 0.87 -2.30 -0.50 0.00 0.00 175.29 173.27 1sqq n PRO 342 N 3.54 -0.11 -3.30 1.67 -0.02 -1.26 -4.93 135.00 130.58 1sqq n PRO 342 Ca -0.18 0.03 -0.47 0.00 -2.02 0.00 0.00 63.50 60.87 1sqq n PRO 342 Cb 0.57 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1sqq n PRO 342 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sqq s VAL 343 N -2.31 5.46 -0.10 -1.45 1.01 -1.26 -4.66 120.40 117.09 1sqq s VAL 343 Ca 0.66 -2.15 -0.33 0.00 0.00 0.00 0.00 61.98 60.15 1sqq s VAL 343 Cb -0.26 -4.45 0.14 0.00 0.00 0.00 0.00 36.38 31.81 1sqq s VAL 343 CO 0.58 -1.01 1.40 -1.61 0.00 0.00 0.00 175.10 174.46 1sqq s GLU 344 N 0.69 0.11 0.00 2.72 2.02 -1.26 -4.97 118.70 118.01 1sqq s GLU 344 Ca 0.15 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1sqq s GLU 344 Cb -0.15 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.12 1sqq s GLU 344 CO -0.06 -0.05 0.98 1.58 0.02 0.00 0.00 175.26 177.74 1sqq n HIS 345 N -0.44 0.00 0.00 1.61 -0.00 -1.26 -1.47 115.22 113.66 1sqq n HIS 345 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 1sqq n HIS 345 Cb 0.63 -0.48 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 1sqq n HIS 345 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1sqq n PRO 346 N -2.67 0.00 0.00 1.57 -0.04 -1.26 -3.18 135.00 129.42 1sqq n PRO 346 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1sqq n PRO 346 Cb 0.00 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.83 1sqq n PRO 346 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sqq n TYR 347 N -0.31 0.00 0.27 0.54 4.02 -1.26 -0.53 117.16 119.89 1sqq n TYR 347 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1sqq n TYR 347 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1sqq n TYR 347 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1sqq h ILE 348 N 0.00 0.00 0.01 -0.72 2.04 -1.21 -3.05 117.51 114.57 1sqq h ILE 348 Ca 0.00 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 1sqq h ILE 348 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1sqq h ILE 348 CO 0.00 0.00 -0.91 0.71 0.00 0.00 0.00 178.15 177.95 1sqq h THR 349 N -0.78 1.63 -0.05 -0.27 1.35 -0.95 0.34 112.91 114.18 1sqq h THR 349 Ca -0.07 -3.04 -0.01 0.00 -0.55 0.00 0.00 66.41 62.75 1sqq h THR 349 Cb 0.63 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1sqq h THR 349 CO 0.05 0.87 -0.02 -0.29 -0.25 0.00 0.00 175.52 175.88 1sqq h ILE 350 N 0.01 1.32 -0.92 6.82 -0.00 -1.72 -0.70 117.51 122.33 1sqq h ILE 350 Ca -0.02 -0.99 0.25 0.00 -0.00 0.00 0.00 64.86 64.10 1sqq h ILE 350 Cb 1.60 1.88 -0.14 0.00 -0.00 0.00 0.00 36.82 40.16 1sqq h ILE 350 CO 0.12 0.27 0.38 1.23 -0.00 0.00 0.00 178.15 180.15 1sqq h GLY 351 N -0.28 1.60 1.07 8.18 0.00 -1.28 0.37 103.07 112.72 1sqq h GLY 351 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1sqq h GLY 351 CO 0.01 -0.36 0.44 1.46 0.00 0.00 0.00 176.54 178.08 1sqq h GLN 352 N 0.31 1.20 0.16 4.80 4.20 -0.04 -2.33 115.11 123.41 1sqq h GLN 352 Ca 0.60 -0.16 -0.22 0.00 0.06 0.00 0.00 58.65 58.93 1sqq h GLN 352 Cb 1.23 -0.23 0.03 0.00 0.30 0.00 0.00 27.48 28.80 1sqq h GLN 352 CO -0.60 0.90 -0.97 -0.07 -0.67 0.00 0.00 178.83 177.43 1sqq h LEU 353 N 1.20 0.58 -0.52 1.46 3.38 0.55 -2.37 115.31 119.60 1sqq h LEU 353 Ca 0.30 -0.93 0.07 0.00 0.09 0.00 0.00 57.88 57.41 1sqq h LEU 353 Cb 0.07 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1sqq h LEU 353 CO -0.04 1.46 0.19 0.00 0.09 0.00 0.00 178.44 180.14 1sqq h ALA 354 N 0.12 0.64 -0.47 1.53 0.00 -0.44 -0.72 119.26 119.92 1sqq h ALA 354 Ca -0.17 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1sqq h ALA 354 Cb 1.75 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 1sqq h ALA 354 CO 0.18 -0.21 -0.56 0.77 0.00 0.00 0.00 179.25 179.43 1sqq h SER 355 N 0.36 -1.90 -0.70 0.00 0.02 -1.37 0.29 113.55 110.25 1sqq h SER 355 Ca 0.25 0.25 0.15 0.00 -0.84 0.00 0.00 61.79 61.61 1sqq h SER 355 Cb 0.27 0.79 -0.12 0.00 0.14 0.00 0.00 62.40 63.48 1sqq h SER 355 CO -0.26 -0.39 -0.02 0.58 -1.14 0.00 0.00 176.83 175.61 1sqq h VAL 356 N -0.35 0.39 -0.40 2.27 2.07 -1.31 -3.03 116.25 115.89 1sqq h VAL 356 Ca 0.08 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1sqq h VAL 356 Cb 0.58 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1sqq h VAL 356 CO -0.64 0.02 0.11 0.25 0.02 0.00 0.00 177.57 177.34 1sqq h LEU 357 N 0.09 0.59 -0.34 2.57 5.85 -0.11 0.31 115.31 124.28 1sqq h LEU 357 Ca 0.37 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1sqq h LEU 357 Cb 0.63 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1sqq h LEU 357 CO -0.63 0.65 -0.49 0.22 -0.34 0.00 0.00 178.44 177.85 1sqq h TYR 358 N 0.50 -1.50 0.00 1.25 3.20 -0.94 0.32 116.97 119.80 1sqq h TYR 358 Ca 0.13 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1sqq h TYR 358 Cb 0.28 0.70 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 1sqq h TYR 358 CO 0.01 -0.44 -0.05 0.74 -1.64 0.00 0.00 178.16 176.79 1sqq h PHE 359 N -0.37 0.00 -0.04 -3.82 0.04 -1.33 -2.84 116.94 108.58 1sqq h PHE 359 Ca 0.06 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.68 1sqq h PHE 359 Cb 0.53 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.69 1sqq h PHE 359 CO -0.70 0.05 -0.55 1.25 -0.60 0.00 0.00 178.31 177.76 1sqq h LEU 360 N 0.00 0.56 0.25 1.54 5.85 0.66 -1.36 115.31 122.81 1sqq h LEU 360 Ca -0.00 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 58.00 1sqq h LEU 360 Cb 0.09 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1sqq h LEU 360 CO 0.01 1.19 -0.12 -0.07 -0.34 0.00 0.00 178.44 179.10 1sqq h LEU 361 N -0.02 -0.29 -0.25 2.25 3.38 -0.26 0.99 115.31 121.11 1sqq h LEU 361 Ca -0.06 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1sqq h LEU 361 Cb 1.23 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1sqq h LEU 361 CO 0.11 -0.20 -0.13 0.40 0.09 0.00 0.00 178.44 178.71 1sqq h ILE 362 N -0.34 1.30 -0.06 1.22 2.04 -1.60 0.16 117.51 120.23 1sqq h ILE 362 Ca -0.03 -1.22 -0.24 0.00 1.00 0.00 0.00 64.86 64.37 1sqq h ILE 362 Cb 0.26 1.57 0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1sqq h ILE 362 CO 0.06 0.38 -0.90 0.25 0.00 0.00 0.00 178.15 177.93 1sqq h LEU 363 N 0.25 0.79 0.00 1.44 5.85 -1.28 -3.42 115.31 118.94 1sqq h LEU 363 Ca 0.05 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1sqq h LEU 363 Cb 0.64 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1sqq h LEU 363 CO 0.04 1.38 -0.38 0.52 -0.34 0.00 0.00 178.44 179.66 1sqq n VAL 364 N -3.85 0.28 0.00 1.05 0.31 -0.35 -4.76 118.33 111.01 1sqq n VAL 364 Ca -0.08 0.09 -0.17 0.00 -0.01 0.00 0.00 64.34 64.17 1sqq n VAL 364 Cb 0.81 -1.12 -0.12 0.00 -0.91 0.00 0.00 33.84 32.50 1sqq n VAL 364 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1sqq h LEU 365 N 0.00 0.38 -0.71 7.52 3.38 -0.62 -2.49 115.31 122.77 1sqq h LEU 365 Ca 0.00 -0.85 -0.04 0.00 0.09 0.00 0.00 57.88 57.08 1sqq h LEU 365 Cb 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1sqq h LEU 365 CO 0.00 1.18 0.27 0.24 0.09 0.00 0.00 178.44 180.23 1sqq h MET 366 N -0.38 1.06 -0.59 1.13 2.86 -0.91 -1.72 114.93 116.39 1sqq h MET 366 Ca -0.08 -0.20 0.06 0.00 -2.06 0.00 0.00 59.70 57.43 1sqq h MET 366 Cb 1.30 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.73 1sqq h MET 366 CO 0.10 0.88 0.28 -1.35 1.06 0.00 0.00 176.91 177.89 1sqq h PRO 367 N 1.02 0.51 -0.53 -0.22 0.11 -1.76 -2.74 132.00 128.38 1sqq h PRO 367 Ca 0.23 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 1sqq h PRO 367 Cb 0.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1sqq h PRO 367 CO -0.02 0.34 -0.04 1.15 -0.21 0.00 0.00 178.00 179.22 1sqq h THR 368 N 0.53 1.27 -0.56 -1.15 2.02 -1.22 -2.64 112.91 111.15 1sqq h THR 368 Ca 0.27 -1.16 0.09 0.00 0.77 0.00 0.00 66.41 66.38 1sqq h THR 368 Cb 0.23 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.51 1sqq h THR 368 CO -0.21 0.41 0.16 0.00 0.37 0.00 0.00 175.52 176.26 1sqq h ALA 369 N 0.94 0.69 -0.69 6.16 0.00 -1.29 0.15 119.26 125.21 1sqq h ALA 369 Ca 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1sqq h ALA 369 Cb 0.58 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1sqq h ALA 369 CO 0.04 -0.25 0.19 0.78 0.00 0.00 0.00 179.25 180.00 1sqq h GLY 370 N 0.32 1.17 0.93 0.00 0.00 -1.37 0.16 103.07 104.28 1sqq h GLY 370 Ca 0.29 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1sqq h GLY 370 CO -0.33 0.66 0.07 -0.84 0.00 0.00 0.00 176.54 176.11 1sqq h THR 371 N 1.04 1.10 -0.70 4.70 2.02 -1.04 -2.37 112.91 117.67 1sqq h THR 371 Ca 0.22 -0.29 0.10 0.00 0.77 0.00 0.00 66.41 67.21 1sqq h THR 371 Cb 0.34 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 1sqq h THR 371 CO -0.00 0.10 0.32 0.40 0.37 0.00 0.00 175.52 176.70 1sqq h ILE 372 N 0.12 0.80 -0.40 3.11 2.04 0.05 -1.81 117.51 121.42 1sqq h ILE 372 Ca 0.05 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 1sqq h ILE 372 Cb 0.09 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1sqq h ILE 372 CO -0.01 0.10 -0.01 -0.33 0.00 0.00 0.00 178.15 177.90 1sqq h GLU 373 N 0.53 0.63 -0.47 2.37 5.08 -0.63 -1.27 114.58 120.83 1sqq h GLU 373 Ca 0.35 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 1sqq h GLU 373 Cb 0.42 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1sqq h GLU 373 CO -0.30 0.66 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.29 1sqq h ASN 374 N 0.60 0.96 0.03 1.42 2.35 -1.06 -2.59 115.58 117.29 1sqq h ASN 374 Ca 0.12 -0.38 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 1sqq h ASN 374 Cb 0.39 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1sqq h ASN 374 CO 0.02 1.12 -0.07 0.11 -1.65 0.00 0.00 177.43 176.96 1sqq h LYS 375 N 0.78 0.11 0.00 0.81 1.57 -0.40 -1.08 116.57 118.36 1sqq h LYS 375 Ca 0.11 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1sqq h LYS 375 Cb 0.74 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1sqq h LYS 375 CO 0.06 0.19 -0.27 -0.07 -0.57 0.00 0.00 179.45 178.79 1sqq h LEU 376 N 0.11 0.00 -1.86 2.94 3.38 -1.02 -3.04 115.31 115.82 1sqq h LEU 376 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1sqq h LEU 376 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1sqq h LEU 376 CO 0.01 0.27 0.00 0.18 0.09 0.00 0.00 178.44 178.99 1sqq n LEU 377 N -3.21 2.74 -3.97 1.67 4.77 -0.49 -4.96 117.00 113.56 1sqq n LEU 377 Ca 0.02 -1.29 -0.29 0.00 -0.03 0.00 0.00 56.01 54.43 1sqq n LEU 377 Cb 0.60 -0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1sqq n LEU 377 CO 0.37 0.64 -0.07 0.29 -1.33 0.00 0.00 177.39 177.29 1sqq n LYS 378 N 1.00 -4.09 0.00 3.23 5.02 -1.12 -5.10 118.16 117.10 1sqq n LYS 378 Ca 0.18 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1sqq n LYS 378 Cb 0.46 -5.01 0.00 0.00 -0.02 0.00 0.00 35.03 30.46 1sqq n LYS 378 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79