#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqb s ASN 3 N 0.00 6.46 0.46 8.00 3.84 -1.26 -4.92 114.94 127.52 1sqb s ASN 3 Ca 0.00 1.57 0.31 0.00 0.21 0.00 0.00 52.86 54.95 1sqb s ASN 3 Cb 0.00 -2.53 1.31 0.00 -0.55 0.00 0.00 41.25 39.48 1sqb s ASN 3 CO 0.00 -1.20 1.91 -0.29 -2.79 0.00 0.00 177.10 174.74 1sqb h ILE 4 N 6.07 0.00 -0.12 -5.21 6.09 -2.01 -2.72 117.51 119.62 1sqb h ILE 4 Ca -0.32 -0.37 0.01 0.00 -1.37 0.00 0.00 64.86 62.80 1sqb h ILE 4 Cb 1.14 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 39.70 1sqb h ILE 4 CO 1.00 0.00 0.08 0.03 -3.07 0.00 0.00 178.15 176.19 1sqb h ARG 5 N 0.00 0.13 0.03 2.19 3.08 -1.91 -2.34 114.38 115.56 1sqb h ARG 5 Ca 0.00 -0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.77 1sqb h ARG 5 Cb 0.42 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1sqb h ARG 5 CO 0.00 0.09 -1.47 1.63 -1.07 0.00 0.00 179.97 179.15 1sqb n LYS 6 N -4.52 0.61 -0.04 0.04 5.02 -1.03 -2.67 118.16 115.57 1sqb n LYS 6 Ca -0.01 0.50 -0.14 0.00 -2.02 0.00 0.00 58.31 56.64 1sqb n LYS 6 Cb 0.10 -1.73 -0.09 0.00 -0.02 0.00 0.00 35.03 33.29 1sqb n LYS 6 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1sqb h SER 7 N -0.76 0.28 -2.53 4.39 4.64 -1.53 -3.41 113.55 114.63 1sqb h SER 7 Ca -0.38 -0.59 -0.54 0.00 -0.47 0.00 0.00 61.79 59.82 1sqb h SER 7 Cb 1.48 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.49 1sqb h SER 7 CO -0.15 0.82 1.13 -2.28 -0.87 0.00 0.00 176.83 175.48 1sqb s HIS 8 N -3.87 1.80 0.38 4.77 5.65 -0.89 -4.86 115.29 118.27 1sqb s HIS 8 Ca -0.15 -0.03 0.16 0.00 0.25 0.00 0.00 55.06 55.29 1sqb s HIS 8 Cb 0.03 -4.05 1.06 0.00 -1.18 0.00 0.00 32.58 28.44 1sqb s HIS 8 CO 0.74 -4.51 1.75 -1.35 -0.65 0.00 0.00 174.74 170.71 1sqb h PRO 9 N 9.69 0.41 0.05 2.88 0.11 -1.90 0.43 132.00 143.67 1sqb h PRO 9 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sqb h PRO 9 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sqb h PRO 9 CO 0.94 0.27 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.92 1sqb h LEU 10 N 0.43 -0.05 -1.83 2.35 3.38 -1.97 -3.36 115.31 114.26 1sqb h LEU 10 Ca 0.63 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1sqb h LEU 10 Cb 1.50 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1sqb h LEU 10 CO -0.37 0.65 -0.07 0.24 0.09 0.00 0.00 178.44 178.98 1sqb h MET 11 N -0.97 0.02 -0.61 1.13 2.86 -1.69 -1.66 114.93 114.01 1sqb h MET 11 Ca -0.01 -0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1sqb h MET 11 Cb 0.51 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.06 1sqb h MET 11 CO 0.01 0.09 -0.00 -0.22 1.06 0.00 0.00 176.91 177.85 1sqb h LYS 12 N 0.02 0.11 -0.04 1.72 3.64 0.06 0.14 116.57 122.23 1sqb h LYS 12 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1sqb h LYS 12 Cb 0.14 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1sqb h LYS 12 CO 0.01 0.07 0.01 0.82 -2.27 0.00 0.00 179.45 178.09 1sqb h ILE 13 N 0.12 1.22 -0.85 2.00 1.08 -1.44 -1.17 117.51 118.46 1sqb h ILE 13 Ca 0.32 -0.66 0.05 0.00 -0.39 0.00 0.00 64.86 64.19 1sqb h ILE 13 Cb 0.52 1.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.79 1sqb h ILE 13 CO -0.53 0.18 0.53 0.58 -0.69 0.00 0.00 178.15 178.22 1sqb h VAL 14 N -0.19 1.07 -0.33 1.67 2.07 -1.38 0.55 116.25 119.71 1sqb h VAL 14 Ca 0.01 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1sqb h VAL 14 Cb 0.28 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1sqb h VAL 14 CO 0.00 0.18 0.11 -1.13 0.02 0.00 0.00 177.57 176.75 1sqb h ASN 15 N 0.99 0.48 1.38 0.57 -1.24 -0.64 0.12 115.58 117.24 1sqb h ASN 15 Ca 0.36 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1sqb h ASN 15 Cb 0.12 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1sqb h ASN 15 CO -0.16 0.54 0.00 0.78 -1.29 0.00 0.00 177.43 177.31 1sqb h ASN 16 N 0.38 0.00 0.00 1.15 4.21 -0.61 0.33 115.58 121.04 1sqb h ASN 16 Ca 0.11 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.27 1sqb h ASN 16 Cb 0.23 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.37 1sqb h ASN 16 CO -0.01 0.00 -2.32 0.00 -1.29 0.00 0.00 177.43 173.82 1sqb n ALA 17 N -2.06 1.50 0.00 -0.83 0.00 0.13 -4.25 120.51 115.01 1sqb n ALA 17 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1sqb n ALA 17 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1sqb n ALA 17 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sqb n PHE 18 N -3.11 0.00 -0.02 0.00 3.72 0.40 -4.82 117.46 113.63 1sqb n PHE 18 Ca -0.40 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 56.96 1sqb n PHE 18 Cb 0.96 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.49 1sqb n PHE 18 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1sqb n ILE 19 N -1.26 1.33 0.63 4.37 5.41 -0.92 -3.81 119.36 125.11 1sqb n ILE 19 Ca 0.00 0.27 0.10 0.00 1.00 0.00 0.00 62.75 64.12 1sqb n ILE 19 Cb 0.00 -1.95 0.12 0.00 -0.71 0.00 0.00 39.64 37.09 1sqb n ILE 19 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1sqb n ASP 20 N -3.94 2.83 -4.68 4.38 9.92 0.11 -1.72 116.55 123.45 1sqb n ASP 20 Ca -0.07 -1.86 -0.45 0.00 -0.53 0.00 0.00 54.79 51.88 1sqb n ASP 20 Cb 0.25 -0.07 -0.04 0.00 -0.64 0.00 0.00 41.12 40.63 1sqb n ASP 20 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1sqb n LEU 21 N 1.15 3.65 -4.63 0.64 7.94 -1.23 -4.74 117.00 119.79 1sqb n LEU 21 Ca 0.13 1.00 -0.43 0.00 -1.11 0.00 0.00 56.01 55.60 1sqb n LEU 21 Cb 0.51 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 1sqb n LEU 21 CO 0.13 -0.00 1.34 -2.84 -1.11 0.00 0.00 177.39 174.90 1sqb s PRO 22 N 2.82 3.83 0.07 1.96 0.02 -1.26 -1.05 135.00 141.39 1sqb s PRO 22 Ca 0.85 1.64 0.09 0.00 0.02 0.00 0.00 61.00 63.60 1sqb s PRO 22 Cb -0.59 -4.01 -0.03 0.00 0.02 0.00 0.00 34.50 29.89 1sqb s PRO 22 CO 0.42 -1.24 -0.21 0.00 -0.33 0.00 0.00 177.00 175.63 1sqb s ALA 23 N 5.03 2.50 0.36 -1.55 0.00 0.10 -4.73 121.76 123.47 1sqb s ALA 23 Ca 0.70 -1.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.09 1sqb s ALA 23 Cb -0.24 -0.60 -0.11 0.00 0.00 0.00 0.00 23.12 22.16 1sqb s ALA 23 CO 0.28 0.56 1.45 -2.30 0.00 0.00 0.00 175.76 175.76 1sqb n PRO 24 N 1.36 2.54 0.27 0.00 -0.02 -1.26 -0.08 135.00 137.81 1sqb n PRO 24 Ca -0.16 0.89 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 1sqb n PRO 24 Cb 0.52 -2.59 0.79 0.00 -0.02 0.00 0.00 33.50 32.20 1sqb n PRO 24 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1sqb h SER 25 N 3.07 0.00 -0.29 2.55 4.64 -1.82 -3.34 113.55 118.35 1sqb h SER 25 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1sqb h SER 25 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sqb h SER 25 CO 0.65 0.09 0.00 -0.46 -0.87 0.00 0.00 176.83 176.24 1sqb n ASN 26 N -3.66 3.41 -4.71 4.97 6.94 -1.26 -5.03 115.26 115.92 1sqb n ASN 26 Ca -0.02 -2.54 -0.42 0.00 -0.02 0.00 0.00 54.58 51.58 1sqb n ASN 26 Cb 0.20 -0.39 -0.03 0.00 -2.36 0.00 0.00 39.78 37.19 1sqb n ASN 26 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1sqb s ILE 27 N -1.96 3.90 1.11 1.53 -4.36 -1.26 -4.51 121.20 115.65 1sqb s ILE 27 Ca 0.33 1.37 -0.13 0.00 -0.26 0.00 0.00 60.65 61.96 1sqb s ILE 27 Cb 0.23 -3.88 0.25 0.00 1.25 0.00 0.00 42.46 40.32 1sqb s ILE 27 CO 0.12 0.11 1.05 -0.44 0.24 0.00 0.00 174.94 176.02 1sqb s SER 28 N 1.06 1.53 0.47 4.36 0.01 -1.26 -4.88 113.70 114.99 1sqb s SER 28 Ca 0.60 1.32 0.30 0.00 1.31 0.00 0.00 55.95 59.47 1sqb s SER 28 Cb -0.31 -2.06 1.62 0.00 0.21 0.00 0.00 66.02 65.48 1sqb s SER 28 CO 0.29 -3.83 1.90 0.28 0.41 0.00 0.00 173.24 172.29 1sqb h SER 29 N -2.37 0.00 0.73 2.44 0.02 -2.02 0.84 113.55 113.19 1sqb h SER 29 Ca -0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1sqb h SER 29 Cb 1.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.88 1sqb h SER 29 CO 0.54 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 177.02 1sqb n TRP 30 N -2.58 0.44 1.18 3.45 7.02 -1.26 -2.29 117.44 123.40 1sqb n TRP 30 Ca -0.02 0.16 0.13 0.00 -1.02 0.00 0.00 57.50 56.75 1sqb n TRP 30 Cb 0.10 -0.76 0.36 0.00 -2.42 0.00 0.00 31.31 28.58 1sqb n TRP 30 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1sqb n TRP 31 N -1.89 0.00 0.13 -5.99 8.01 0.29 -4.24 117.44 113.75 1sqb n TRP 31 Ca 0.03 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.21 1sqb n TRP 31 Cb 0.23 -0.17 0.15 0.00 -2.01 0.00 0.00 31.31 29.52 1sqb n TRP 31 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.69 175.77 1sqb h ASN 32 N 0.80 0.00 0.12 -0.99 4.21 -1.60 -3.28 115.58 114.85 1sqb h ASN 32 Ca 0.00 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1sqb h ASN 32 Cb 0.49 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1sqb h ASN 32 CO 0.00 0.65 -0.03 -0.26 -1.29 0.00 0.00 177.43 176.50 1sqb h PHE 33 N 0.00 0.00 -0.50 1.19 0.04 -1.75 -1.82 116.94 114.10 1sqb h PHE 33 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1sqb h PHE 33 Cb 1.14 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 1sqb h PHE 33 CO 0.00 0.03 0.23 0.78 -0.60 0.00 0.00 178.31 178.75 1sqb h GLY 34 N 0.27 0.78 1.32 -1.45 0.00 -1.87 0.24 103.07 102.37 1sqb h GLY 34 Ca -0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 47.33 46.73 1sqb h GLY 34 CO 0.00 0.37 -0.72 1.48 0.00 0.00 0.00 176.54 177.68 1sqb h SER 35 N 0.67 0.79 -0.19 0.19 4.64 -1.58 -3.18 113.55 114.88 1sqb h SER 35 Ca 0.17 -0.50 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1sqb h SER 35 Cb 0.13 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1sqb h SER 35 CO -0.02 1.27 -0.02 -0.07 -0.87 0.00 0.00 176.83 177.12 1sqb h LEU 36 N 0.47 0.45 -0.67 5.97 3.38 -1.07 -0.21 115.31 123.63 1sqb h LEU 36 Ca -0.03 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1sqb h LEU 36 Cb 1.32 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1sqb h LEU 36 CO 0.14 0.53 0.18 -0.07 0.09 0.00 0.00 178.44 179.31 1sqb h LEU 37 N 0.46 1.01 -0.73 1.67 3.38 -0.56 -0.17 115.31 120.37 1sqb h LEU 37 Ca 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1sqb h LEU 37 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1sqb h LEU 37 CO 0.01 0.97 0.32 1.23 0.09 0.00 0.00 178.44 181.06 1sqb h GLY 38 N 1.00 1.15 0.98 0.83 0.00 -1.21 0.27 103.07 106.09 1sqb h GLY 38 Ca 0.21 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1sqb h GLY 38 CO -0.00 0.57 0.19 -2.22 0.00 0.00 0.00 176.54 175.08 1sqb h ILE 39 N 1.04 1.12 -0.72 2.60 1.08 -0.88 -2.03 117.51 119.71 1sqb h ILE 39 Ca 0.25 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 1sqb h ILE 39 Cb 0.17 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1sqb h ILE 39 CO -0.03 0.11 0.28 0.00 -0.69 0.00 0.00 178.15 177.83 1sqb h LEU 41 N 1.05 0.85 -0.13 0.00 5.85 -0.40 -0.94 115.31 121.58 1sqb h LEU 41 Ca 0.24 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1sqb h LEU 41 Cb 0.21 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1sqb h LEU 41 CO -0.02 0.99 -0.14 0.40 -0.34 0.00 0.00 178.44 179.33 1sqb h ILE 42 N 0.77 1.35 -0.73 4.05 1.08 -0.67 -2.36 117.51 120.99 1sqb h ILE 42 Ca 0.12 -1.31 0.09 0.00 -0.39 0.00 0.00 64.86 63.38 1sqb h ILE 42 Cb 0.63 1.91 -0.07 0.00 -3.07 0.00 0.00 36.82 36.22 1sqb h ILE 42 CO 0.04 0.38 0.39 0.25 -0.69 0.00 0.00 178.15 178.52 1sqb h LEU 43 N -0.05 0.53 -1.03 1.44 6.46 -0.25 0.09 115.31 122.50 1sqb h LEU 43 Ca 0.02 0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 1sqb h LEU 43 Cb 0.67 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.54 1sqb h LEU 43 CO 0.03 0.31 -0.19 1.56 -0.62 0.00 0.00 178.44 179.53 1sqb h GLN 44 N 0.66 0.47 -0.27 1.25 1.08 -1.17 -0.51 115.11 116.62 1sqb h GLN 44 Ca 0.35 -0.15 -0.15 0.00 -1.45 0.00 0.00 58.65 57.25 1sqb h GLN 44 Cb 0.34 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1sqb h GLN 44 CO -0.25 0.64 -0.42 0.82 -0.95 0.00 0.00 178.83 178.67 1sqb h ILE 45 N 0.42 1.30 -0.03 2.54 2.04 -0.68 -0.81 117.51 122.29 1sqb h ILE 45 Ca 0.07 -1.61 -0.23 0.00 1.00 0.00 0.00 64.86 64.09 1sqb h ILE 45 Cb 0.58 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1sqb h ILE 45 CO 0.04 0.52 -0.91 -0.07 0.00 0.00 0.00 178.15 177.73 1sqb h LEU 46 N 0.50 0.68 0.02 1.44 3.38 -0.86 -1.80 115.31 118.67 1sqb h LEU 46 Ca 0.02 -0.51 -0.21 0.00 0.09 0.00 0.00 57.88 57.27 1sqb h LEU 46 Cb 1.01 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.58 1sqb h LEU 46 CO 0.10 1.30 -0.84 0.71 0.09 0.00 0.00 178.44 179.79 1sqb h THR 47 N 0.32 1.36 -0.95 0.22 1.35 -1.20 -3.25 112.91 110.76 1sqb h THR 47 Ca -0.08 -2.20 0.09 0.00 -0.55 0.00 0.00 66.41 63.67 1sqb h THR 47 Cb 1.54 2.55 -0.07 0.00 -1.73 0.00 0.00 68.15 70.44 1sqb h THR 47 CO 0.17 0.66 0.61 1.23 -0.25 0.00 0.00 175.52 177.94 1sqb h GLY 48 N 0.11 1.45 0.90 5.82 0.00 -1.17 -1.71 103.07 108.47 1sqb h GLY 48 Ca -0.11 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1sqb h GLY 48 CO 0.17 0.24 -0.21 -2.00 0.00 0.00 0.00 176.54 174.74 1sqb h LEU 49 N 1.01 0.63 -1.36 3.11 5.85 -1.44 -1.27 115.31 121.84 1sqb h LEU 49 Ca 0.44 -0.46 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1sqb h LEU 49 Cb 0.34 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1sqb h LEU 49 CO -0.19 0.95 -0.29 -0.26 -0.34 0.00 0.00 178.44 178.31 1sqb h PHE 50 N 0.31 0.00 -0.38 1.25 -1.00 -1.52 -1.08 116.94 114.52 1sqb h PHE 50 Ca 0.05 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.67 1sqb h PHE 50 Cb 0.76 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 1sqb h PHE 50 CO 0.07 0.29 -0.38 -0.07 -1.61 0.00 0.00 178.31 176.61 1sqb h LEU 51 N 0.00 1.00 -1.58 1.54 3.38 -1.24 -3.26 115.31 115.15 1sqb h LEU 51 Ca -0.00 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1sqb h LEU 51 Cb 0.63 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sqb h LEU 51 CO 0.04 1.26 -0.10 0.00 0.09 0.00 0.00 178.44 179.73 1sqb h ALA 52 N 0.77 1.06 0.00 1.53 0.00 -0.03 0.17 119.26 122.77 1sqb h ALA 52 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sqb h ALA 52 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1sqb h ALA 52 CO 0.09 0.12 0.00 0.52 0.00 0.00 0.00 179.25 179.99 1sqb h MET 53 N 0.00 0.00 0.00 0.00 2.86 -1.32 -3.30 114.93 113.17 1sqb h MET 53 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sqb h MET 53 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1sqb h MET 53 CO 0.01 0.00 -0.61 0.72 1.06 0.00 0.00 176.91 178.09 1sqb n HIS 54 N -2.44 0.00 -2.50 -0.22 8.25 -0.72 -5.08 115.22 112.50 1sqb n HIS 54 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 1sqb n HIS 54 Cb 0.22 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 1sqb n HIS 54 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1sqb s TYR 55 N -1.24 3.62 -0.14 4.41 5.04 0.53 -4.86 117.35 124.71 1sqb s TYR 55 Ca 0.00 1.69 -0.04 0.00 -2.44 0.00 0.00 57.07 56.29 1sqb s TYR 55 Cb 0.00 -3.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.02 1sqb s TYR 55 CO 0.00 -0.49 -0.02 0.99 -1.34 0.00 0.00 175.55 174.69 1sqb s THR 56 N -0.94 4.06 -1.47 4.34 2.01 -1.26 -4.91 115.64 117.47 1sqb s THR 56 Ca 0.45 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 62.25 1sqb s THR 56 Cb -0.31 -2.77 0.38 0.00 0.01 0.00 0.00 72.50 69.81 1sqb s THR 56 CO 0.39 0.52 1.24 -0.24 -0.69 0.00 0.00 174.62 175.83 1sqb n SER 57 N 3.20 2.61 -4.55 3.53 2.88 -1.26 -4.11 113.62 115.92 1sqb n SER 57 Ca -0.17 -2.18 -0.32 0.00 -1.33 0.00 0.00 58.87 54.86 1sqb n SER 57 Cb 0.53 -0.39 -0.11 0.00 -0.75 0.00 0.00 64.21 63.49 1sqb n SER 57 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1sqb s ASP 58 N -0.78 4.38 0.56 -3.46 -1.08 -1.26 -3.77 116.67 111.27 1sqb s ASP 58 Ca 0.27 -0.19 0.27 0.00 -0.52 0.00 0.00 52.55 52.38 1sqb s ASP 58 Cb 0.17 -0.97 1.49 0.00 -1.46 0.00 0.00 42.92 42.15 1sqb s ASP 58 CO 0.14 0.30 1.99 0.71 0.52 0.00 0.00 175.17 178.83 1sqb h THR 59 N 3.93 0.55 0.02 1.71 1.35 -1.90 0.56 112.91 119.13 1sqb h THR 59 Ca -0.48 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1sqb h THR 59 Cb 1.16 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1sqb h THR 59 CO 0.52 0.00 -0.02 0.74 -0.25 0.00 0.00 175.52 176.51 1sqb h THR 60 N 0.00 0.00 -0.39 6.82 2.02 -1.97 -3.36 112.91 116.04 1sqb h THR 60 Ca 0.20 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.21 1sqb h THR 60 Cb 0.93 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.24 1sqb h THR 60 CO -0.00 0.00 0.01 0.35 0.37 0.00 0.00 175.52 176.24 1sqb n THR 61 N -2.24 2.55 -0.00 3.16 -2.24 -1.06 -4.57 114.28 109.89 1sqb n THR 61 Ca -0.00 -2.47 -0.11 0.00 -2.27 0.00 0.00 64.05 59.20 1sqb n THR 61 Cb 0.02 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.88 1sqb n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqb h ALA 62 N 1.20 0.13 -0.29 6.98 0.00 -1.04 0.20 119.26 126.43 1sqb h ALA 62 Ca 0.21 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1sqb h ALA 62 Cb 1.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1sqb h ALA 62 CO 0.42 -0.39 -0.42 0.35 0.00 0.00 0.00 179.25 179.21 1sqb h PHE 63 N 0.13 0.86 -0.22 0.00 3.04 -1.80 -3.19 116.94 115.75 1sqb h PHE 63 Ca 0.04 -0.26 -0.15 0.00 3.98 0.00 0.00 57.97 61.58 1sqb h PHE 63 Cb -0.01 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 1sqb h PHE 63 CO -0.08 1.01 -0.48 0.77 -2.02 0.00 0.00 178.31 177.51 1sqb h SER 64 N 0.58 0.64 -0.51 0.41 0.02 -1.80 -2.61 113.55 110.28 1sqb h SER 64 Ca 0.04 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 1sqb h SER 64 Cb 0.96 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1sqb h SER 64 CO 0.09 1.02 0.15 0.77 -1.14 0.00 0.00 176.83 177.71 1sqb h SER 65 N 0.47 0.76 -0.71 3.07 4.64 -0.99 0.18 113.55 120.97 1sqb h SER 65 Ca 0.02 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1sqb h SER 65 Cb 1.01 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 1sqb h SER 65 CO 0.09 0.78 0.46 0.58 -0.87 0.00 0.00 176.83 177.87 1sqb h VAL 66 N 0.71 1.15 -0.05 0.95 2.07 -1.54 -0.01 116.25 119.52 1sqb h VAL 66 Ca 0.16 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1sqb h VAL 66 Cb 0.30 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1sqb h VAL 66 CO -0.00 0.17 0.03 0.74 0.02 0.00 0.00 177.57 178.53 1sqb h THR 67 N 0.92 1.07 -0.95 2.57 2.02 -1.25 -2.46 112.91 114.83 1sqb h THR 67 Ca 0.27 -0.20 0.16 0.00 0.77 0.00 0.00 66.41 67.41 1sqb h THR 67 Cb -0.06 1.11 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 1sqb h THR 67 CO -0.08 0.06 0.56 -0.74 0.37 0.00 0.00 175.52 175.70 1sqb h HIS 68 N 0.01 1.00 0.69 3.16 6.17 -0.19 0.99 115.15 126.98 1sqb h HIS 68 Ca 0.02 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.10 1sqb h HIS 68 Cb 0.07 -0.30 0.01 0.00 2.52 0.00 0.00 27.41 29.71 1sqb h HIS 68 CO -0.05 0.28 -0.33 0.82 0.71 0.00 0.00 177.93 179.35 1sqb h ILE 69 N 0.78 0.32 -0.04 6.26 2.04 -0.75 0.83 117.51 126.95 1sqb h ILE 69 Ca 0.52 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 66.27 1sqb h ILE 69 Cb 0.71 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1sqb h ILE 69 CO -0.35 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.38 1sqb n ARG 71 N -4.02 0.54 -0.11 0.00 1.74 0.28 -3.97 116.66 111.12 1sqb n ARG 71 Ca -0.02 0.44 -0.22 0.00 -0.77 0.00 0.00 57.85 57.29 1sqb n ARG 71 Cb 0.47 -1.63 -0.12 0.00 -1.02 0.00 0.00 32.46 30.16 1sqb n ARG 71 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1sqb n ASP 72 N -4.43 1.99 -4.68 0.55 8.00 0.18 -4.95 116.55 113.21 1sqb n ASP 72 Ca -0.31 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.82 1sqb n ASP 72 Cb 0.63 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1sqb n ASP 72 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sqb s VAL 73 N -2.51 3.07 -0.51 2.53 1.01 -0.55 -4.87 120.40 118.57 1sqb s VAL 73 Ca -0.34 0.37 -0.33 0.00 0.00 0.00 0.00 61.98 61.68 1sqb s VAL 73 Cb 0.10 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.12 1sqb s VAL 73 CO 0.59 -0.01 2.34 0.59 0.00 0.00 0.00 175.10 178.61 1sqb n ASN 74 N 6.37 1.76 -1.81 3.32 4.13 -1.26 -0.02 115.26 127.76 1sqb n ASN 74 Ca 0.17 0.16 -0.19 0.00 1.68 0.00 0.00 54.58 56.41 1sqb n ASN 74 Cb 0.41 -1.26 -0.05 0.00 -1.54 0.00 0.00 39.78 37.34 1sqb n ASN 74 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sqb n TYR 75 N 11.29 -0.43 -0.03 3.10 4.01 -1.26 -4.91 117.16 128.94 1sqb n TYR 75 Ca 0.46 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 58.18 1sqb n TYR 75 Cb 0.25 -3.47 0.25 0.00 -0.31 0.00 0.00 39.34 36.06 1sqb n TYR 75 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1sqb h GLY 76 N 0.00 0.64 1.44 2.72 0.00 -0.55 -2.41 103.07 104.91 1sqb h GLY 76 Ca -0.42 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1sqb h GLY 76 CO 0.56 0.38 0.32 0.11 0.00 0.00 0.00 176.54 177.90 1sqb h TRP 77 N 0.56 0.71 -0.54 5.60 5.08 -1.69 -1.19 115.95 124.48 1sqb h TRP 77 Ca 0.11 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.98 1sqb h TRP 77 Cb 0.41 -0.24 -0.02 0.00 -3.00 0.00 0.00 29.16 26.31 1sqb h TRP 77 CO 0.02 0.49 -0.08 0.97 -1.28 0.00 0.00 178.44 178.56 1sqb h ILE 78 N 0.75 1.26 -0.16 0.12 -0.00 -1.80 -2.52 117.51 115.17 1sqb h ILE 78 Ca 0.20 -1.21 -0.19 0.00 -0.00 0.00 0.00 64.86 63.65 1sqb h ILE 78 Cb -0.01 0.93 0.01 0.00 -0.00 0.00 0.00 36.82 37.75 1sqb h ILE 78 CO -0.04 0.43 -0.64 0.40 -0.00 0.00 0.00 178.15 178.30 1sqb h ILE 79 N 0.89 1.30 -0.01 2.19 2.04 -1.43 -2.49 117.51 120.00 1sqb h ILE 79 Ca 0.15 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 64.14 1sqb h ILE 79 Cb 0.62 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1sqb h ILE 79 CO 0.04 0.59 0.00 -0.09 0.00 0.00 0.00 178.15 178.69 1sqb h ARG 80 N 0.43 0.01 0.00 2.37 1.12 -1.14 -1.14 114.38 116.03 1sqb h ARG 80 Ca -0.03 -0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.77 1sqb h ARG 80 Cb 1.27 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.22 1sqb h ARG 80 CO 0.13 0.22 -0.32 1.88 -3.11 0.00 0.00 179.97 178.77 1sqb h TYR 81 N -0.19 0.00 -0.34 2.20 0.05 -1.55 -1.85 116.97 115.28 1sqb h TYR 81 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1sqb h TYR 81 Cb 0.21 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1sqb h TYR 81 CO -0.00 0.32 -0.12 1.98 -1.05 0.00 0.00 178.16 179.29 1sqb h MET 82 N 0.00 0.59 0.05 4.88 4.05 -1.21 0.42 114.93 123.71 1sqb h MET 82 Ca -0.00 -0.18 -0.10 0.00 -0.28 0.00 0.00 59.70 59.14 1sqb h MET 82 Cb 0.86 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.61 1sqb h MET 82 CO 0.04 0.70 -0.44 1.25 0.23 0.00 0.00 176.91 178.69 1sqb h HIS 83 N 0.54 0.34 -0.76 1.39 -0.00 -0.98 -1.80 115.15 113.87 1sqb h HIS 83 Ca 0.10 -0.22 -0.05 0.00 -0.00 0.00 0.00 60.37 60.20 1sqb h HIS 83 Cb 0.52 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.88 1sqb h HIS 83 CO 0.02 1.12 0.29 0.00 -0.00 0.00 0.00 177.93 179.36 1sqb h ALA 84 N 0.13 1.07 0.00 5.26 0.00 -1.30 -1.55 119.26 122.87 1sqb h ALA 84 Ca -0.07 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1sqb h ALA 84 Cb 1.28 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1sqb h ALA 84 CO 0.08 0.65 -0.97 -0.91 0.00 0.00 0.00 179.25 178.10 1sqb h ASN 85 N 1.11 0.00 -0.79 0.00 2.35 -1.05 -3.26 115.58 113.95 1sqb h ASN 85 Ca 0.25 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 1sqb h ASN 85 Cb 0.23 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1sqb h ASN 85 CO -0.02 0.86 0.40 1.23 -1.65 0.00 0.00 177.43 178.25 1sqb h GLY 86 N 3.20 1.21 1.05 2.83 0.00 -1.12 0.20 103.07 110.44 1sqb h GLY 86 Ca -0.04 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1sqb h GLY 86 CO 0.11 0.55 0.59 0.00 0.00 0.00 0.00 176.54 177.79 1sqb h ALA 87 N 1.31 1.26 -0.18 3.60 0.00 -1.35 0.22 119.26 124.12 1sqb h ALA 87 Ca 0.28 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1sqb h ALA 87 Cb 0.09 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1sqb h ALA 87 CO -0.04 0.65 -0.30 0.77 0.00 0.00 0.00 179.25 180.33 1sqb h SER 88 N 1.29 0.57 -0.43 0.00 0.02 -1.49 -2.62 113.55 110.89 1sqb h SER 88 Ca 0.34 -0.54 0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1sqb h SER 88 Cb -0.09 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.22 1sqb h SER 88 CO -0.07 1.00 0.03 0.24 -1.14 0.00 0.00 176.83 176.89 1sqb h MET 89 N 0.16 0.14 -1.00 3.45 2.86 -0.30 0.15 114.93 120.39 1sqb h MET 89 Ca 0.01 -0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 1sqb h MET 89 Cb 0.89 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.41 1sqb h MET 89 CO 0.07 0.09 0.61 0.35 1.06 0.00 0.00 176.91 179.09 1sqb h PHE 90 N 0.14 1.07 0.06 -0.22 3.04 -0.57 -1.61 116.94 118.85 1sqb h PHE 90 Ca 0.22 0.03 -0.24 0.00 3.98 0.00 0.00 57.97 61.96 1sqb h PHE 90 Cb 0.30 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.48 1sqb h PHE 90 CO -0.26 0.25 -1.06 0.74 -2.02 0.00 0.00 178.31 175.96 1sqb h PHE 91 N 0.77 0.40 -0.68 0.41 0.04 -0.43 -1.14 116.94 116.33 1sqb h PHE 91 Ca 0.57 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 61.05 1sqb h PHE 91 Cb 0.88 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.97 1sqb h PHE 91 CO -0.00 1.14 0.28 -0.84 -0.60 0.00 0.00 178.31 178.28 1sqb h ILE 92 N 0.10 1.23 -0.21 -0.55 3.07 -0.19 -2.61 117.51 118.35 1sqb h ILE 92 Ca -0.08 -0.71 -0.12 0.00 1.55 0.00 0.00 64.86 65.50 1sqb h ILE 92 Cb 1.74 0.41 -0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1sqb h ILE 92 CO 0.17 0.29 -0.32 0.00 -1.05 0.00 0.00 178.15 177.23 1sqb h LEU 94 N 0.28 0.86 -0.16 0.00 3.38 -1.11 -0.87 115.31 117.70 1sqb h LEU 94 Ca 0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1sqb h LEU 94 Cb 0.91 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1sqb h LEU 94 CO 0.07 0.53 -0.25 1.88 0.09 0.00 0.00 178.44 180.76 1sqb h TYR 95 N 0.98 0.55 -0.36 1.13 0.05 -1.31 -0.60 116.97 117.40 1sqb h TYR 95 Ca 0.41 -0.19 0.02 0.00 0.05 0.00 0.00 58.73 59.02 1sqb h TYR 95 Cb 0.25 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1sqb h TYR 95 CO -0.03 0.87 0.21 0.52 -1.05 0.00 0.00 178.16 178.68 1sqb h MET 96 N 0.07 0.41 -0.04 4.88 2.86 -1.12 -0.39 114.93 121.59 1sqb h MET 96 Ca 0.01 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1sqb h MET 96 Cb 0.82 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1sqb h MET 96 CO 0.06 0.27 -0.10 1.25 1.06 0.00 0.00 176.91 179.44 1sqb h HIS 97 N 0.42 -0.26 -0.29 -0.22 -0.00 -1.12 0.33 115.15 114.01 1sqb h HIS 97 Ca 0.14 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 1sqb h HIS 97 Cb 0.01 0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1sqb h HIS 97 CO -0.08 -0.16 0.12 0.28 -0.00 0.00 0.00 177.93 178.09 1sqb h VAL 98 N -0.16 1.18 -0.36 5.26 2.07 -0.90 -1.09 116.25 122.25 1sqb h VAL 98 Ca 0.05 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.06 1sqb h VAL 98 Cb 0.23 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1sqb h VAL 98 CO -0.13 0.19 0.17 1.23 0.02 0.00 0.00 177.57 179.04 1sqb h GLY 99 N 0.32 0.48 0.43 2.17 0.00 -0.68 0.35 103.07 106.15 1sqb h GLY 99 Ca 0.10 -0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.40 1sqb h GLY 99 CO -0.01 0.08 0.25 -0.09 0.00 0.00 0.00 176.54 176.77 1sqb h ARG 100 N 0.35 0.43 -0.74 4.80 1.12 -0.19 0.16 114.38 120.31 1sqb h ARG 100 Ca 0.15 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.98 1sqb h ARG 100 Cb 0.07 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 29.90 1sqb h ARG 100 CO -0.11 0.29 0.41 0.78 -3.11 0.00 0.00 179.97 178.22 1sqb h GLY 101 N 0.44 1.09 0.62 2.80 0.00 0.15 -0.95 103.07 107.22 1sqb h GLY 101 Ca 0.30 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1sqb h GLY 101 CO -0.29 0.46 -0.31 -2.00 0.00 0.00 0.00 176.54 174.40 1sqb h LEU 102 N 1.03 0.35 -0.21 3.11 5.85 -0.05 -0.31 115.31 125.07 1sqb h LEU 102 Ca 0.26 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1sqb h LEU 102 Cb 0.01 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1sqb h LEU 102 CO -0.04 0.98 0.10 0.22 -0.34 0.00 0.00 178.44 179.36 1sqb h TYR 103 N -0.26 0.30 -0.12 1.25 3.20 -0.63 -3.21 116.97 117.50 1sqb h TYR 103 Ca -0.03 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1sqb h TYR 103 Cb 0.99 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1sqb h TYR 103 CO 0.14 0.29 0.00 0.66 -1.64 0.00 0.00 178.16 177.62 1sqb n TYR 104 N -4.86 0.14 -1.13 -3.82 4.01 -0.37 -1.80 117.16 109.33 1sqb n TYR 104 Ca -0.03 -0.07 -0.04 0.00 -0.16 0.00 0.00 57.90 57.59 1sqb n TYR 104 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.10 1sqb n TYR 104 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqb n GLY 105 N 1.16 0.70 0.23 2.72 0.00 -1.02 -3.93 105.19 105.06 1sqb n GLY 105 Ca 0.17 -0.47 0.16 0.00 0.00 0.00 0.00 46.02 45.88 1sqb n GLY 105 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sqb h SER 106 N 0.00 0.00 0.43 1.61 0.02 -1.33 -2.51 113.55 111.77 1sqb h SER 106 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1sqb h SER 106 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1sqb h SER 106 CO 0.13 0.00 0.00 0.10 -1.14 0.00 0.00 176.83 175.92 1sqb h TYR 107 N 0.00 0.00 0.00 3.45 -0.00 -1.91 -2.78 116.97 115.73 1sqb h TYR 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1sqb h TYR 107 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.75 1sqb h TYR 107 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 178.16 179.95 1sqb h THR 108 N 0.00 0.00 -0.57 -0.90 1.35 -1.81 -3.24 112.91 107.74 1sqb h THR 108 Ca 0.00 -0.16 -0.42 0.00 -0.55 0.00 0.00 66.41 65.29 1sqb h THR 108 Cb 0.22 1.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.63 1sqb h THR 108 CO 0.00 0.00 1.34 -0.36 -0.25 0.00 0.00 175.52 176.25 1sqb s PHE 109 N -3.84 2.16 0.14 4.73 0.08 -1.05 -4.89 117.98 115.30 1sqb s PHE 109 Ca -0.02 -0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.69 1sqb s PHE 109 Cb 0.10 -4.19 -0.05 0.00 -0.57 0.00 0.00 43.02 38.32 1sqb s PHE 109 CO 0.41 -1.36 1.57 -0.07 -0.10 0.00 0.00 175.22 175.67 1sqb h LEU 110 N 16.46 -1.43 0.08 -0.37 4.07 -1.87 -2.00 115.31 130.25 1sqb h LEU 110 Ca 0.27 0.20 -0.00 0.00 0.08 0.00 0.00 57.88 58.42 1sqb h LEU 110 Cb 0.92 0.60 0.00 0.00 1.08 0.00 0.00 40.66 43.26 1sqb h LEU 110 CO 1.28 -0.41 -0.04 -0.33 -1.08 0.00 0.00 178.44 177.86 1sqb h GLU 111 N -0.44 -0.11 -0.45 1.13 3.07 -1.90 -1.00 114.58 114.88 1sqb h GLU 111 Ca 0.09 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.03 1sqb h GLU 111 Cb 0.62 0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.46 1sqb h GLU 111 CO -0.48 0.21 -0.44 1.15 -1.40 0.00 0.00 179.01 178.05 1sqb h THR 112 N -0.43 0.09 -0.20 1.13 2.02 -1.84 0.20 112.91 113.88 1sqb h THR 112 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1sqb h THR 112 Cb 0.37 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1sqb h THR 112 CO 0.02 0.00 0.08 -0.25 0.37 0.00 0.00 175.52 175.73 1sqb h TRP 113 N -0.31 0.14 -0.32 3.16 2.91 -1.35 -0.64 115.95 119.54 1sqb h TRP 113 Ca 0.14 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.12 1sqb h TRP 113 Cb 0.58 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 29.18 1sqb h TRP 113 CO -0.66 0.07 -0.03 -0.91 -1.03 0.00 0.00 178.44 175.89 1sqb h ASN 114 N 0.18 0.47 0.23 2.65 -0.26 -0.55 0.31 115.58 118.61 1sqb h ASN 114 Ca 0.08 -0.09 -0.10 0.00 -0.56 0.00 0.00 56.30 55.63 1sqb h ASN 114 Cb 0.04 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1sqb h ASN 114 CO -0.08 0.56 -0.39 0.40 -1.06 0.00 0.00 177.43 176.87 1sqb h ILE 115 N 0.48 1.30 -0.27 2.81 1.08 -0.24 -2.66 117.51 120.01 1sqb h ILE 115 Ca 0.10 -1.47 -0.12 0.00 -0.39 0.00 0.00 64.86 62.99 1sqb h ILE 115 Cb 0.36 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1sqb h ILE 115 CO 0.01 0.44 -0.31 1.23 -0.69 0.00 0.00 178.15 178.83 1sqb h GLY 116 N 1.19 0.62 0.95 5.37 0.00 0.28 0.16 103.07 111.64 1sqb h GLY 116 Ca 0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1sqb h GLY 116 CO 0.06 0.51 0.16 -2.08 0.00 0.00 0.00 176.54 175.19 1sqb h VAL 117 N 0.49 1.14 -0.89 4.60 2.07 -0.91 0.15 116.25 122.90 1sqb h VAL 117 Ca 0.06 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1sqb h VAL 117 Cb 0.78 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1sqb h VAL 117 CO 0.06 0.14 0.54 0.40 0.02 0.00 0.00 177.57 178.73 1sqb h ILE 118 N 0.37 1.24 -0.87 4.57 2.04 -1.22 -2.07 117.51 121.58 1sqb h ILE 118 Ca 0.11 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1sqb h ILE 118 Cb 0.08 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 1sqb h ILE 118 CO -0.02 0.26 0.48 -0.07 0.00 0.00 0.00 178.15 178.80 1sqb h LEU 119 N 1.22 1.08 0.02 1.44 3.38 -0.22 -1.78 115.31 120.46 1sqb h LEU 119 Ca 0.32 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1sqb h LEU 119 Cb -0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.42 1sqb h LEU 119 CO -0.06 0.87 -0.01 0.25 0.09 0.00 0.00 178.44 179.58 1sqb h LEU 120 N 1.21 -0.02 -0.87 1.67 5.85 -0.36 -2.35 115.31 120.44 1sqb h LEU 120 Ca 0.31 -0.19 0.09 0.00 0.84 0.00 0.00 57.88 58.93 1sqb h LEU 120 Cb 0.02 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 1sqb h LEU 120 CO -0.05 0.18 0.52 -0.07 -0.34 0.00 0.00 178.44 178.68 1sqb h LEU 121 N -0.23 0.76 -0.59 2.25 3.38 -1.15 -0.91 115.31 118.82 1sqb h LEU 121 Ca -0.00 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1sqb h LEU 121 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1sqb h LEU 121 CO 0.00 0.44 -0.23 0.74 0.09 0.00 0.00 178.44 179.48 1sqb h THR 122 N 0.87 1.27 -0.16 0.22 2.02 -1.28 0.91 112.91 116.76 1sqb h THR 122 Ca 0.42 -1.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.07 1sqb h THR 122 Cb 0.36 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1sqb h THR 122 CO -0.24 0.47 -0.53 0.58 0.37 0.00 0.00 175.52 176.16 1sqb h VAL 123 N 0.76 1.33 0.26 3.16 2.07 -0.99 -2.07 116.25 120.77 1sqb h VAL 123 Ca 0.10 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 1sqb h VAL 123 Cb 0.78 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1sqb h VAL 123 CO 0.06 0.55 -0.12 0.24 0.02 0.00 0.00 177.57 178.32 1sqb h MET 124 N 0.36 -0.34 -0.82 1.57 2.07 -0.93 -1.47 114.93 115.38 1sqb h MET 124 Ca 0.01 0.02 0.11 0.00 -2.07 0.00 0.00 59.70 57.78 1sqb h MET 124 Cb 1.06 0.08 -0.06 0.00 -1.87 0.00 0.00 31.60 30.80 1sqb h MET 124 CO 0.10 -0.12 0.54 0.00 1.07 0.00 0.00 176.91 178.50 1sqb h ALA 125 N 0.20 1.81 0.24 6.32 0.00 -0.83 -1.22 119.26 125.78 1sqb h ALA 125 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1sqb h ALA 125 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sqb h ALA 125 CO 0.06 0.00 -0.11 1.15 0.00 0.00 0.00 179.25 180.34 1sqb h THR 126 N 0.70 0.83 -0.80 0.00 2.02 -1.16 -2.73 112.91 111.76 1sqb h THR 126 Ca 0.39 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1sqb h THR 126 Cb 0.56 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 1sqb h THR 126 CO -0.16 0.10 0.35 0.00 0.37 0.00 0.00 175.52 176.19 1sqb h ALA 127 N 0.12 1.04 -0.19 6.16 0.00 -0.53 0.12 119.26 125.98 1sqb h ALA 127 Ca -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1sqb h ALA 127 Cb 0.42 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1sqb h ALA 127 CO 0.05 0.64 -0.01 0.35 0.00 0.00 0.00 179.25 180.29 1sqb h PHE 128 N 1.16 -0.02 -0.20 0.00 3.57 -1.30 -1.08 116.94 119.06 1sqb h PHE 128 Ca 0.27 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.68 1sqb h PHE 128 Cb 0.17 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1sqb h PHE 128 CO 0.02 -0.04 -0.36 0.52 -2.23 0.00 0.00 178.31 176.23 1sqb h MET 129 N 0.05 0.42 -0.48 1.11 2.86 -1.12 -3.12 114.93 114.65 1sqb h MET 129 Ca 0.09 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1sqb h MET 129 Cb 0.12 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1sqb h MET 129 CO -0.16 0.72 0.03 0.78 1.06 0.00 0.00 176.91 179.34 1sqb h GLY 130 N 1.10 0.84 1.66 8.32 0.00 -0.36 -3.05 103.07 111.58 1sqb h GLY 130 Ca 0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1sqb h GLY 130 CO 0.06 0.50 -0.09 -1.82 0.00 0.00 0.00 176.54 175.19 1sqb h TYR 131 N 0.73 0.43 -0.30 5.60 3.20 -1.14 -2.73 116.97 122.77 1sqb h TYR 131 Ca 0.15 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1sqb h TYR 131 Cb 0.40 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1sqb h TYR 131 CO 0.02 0.51 0.05 0.28 -1.64 0.00 0.00 178.16 177.38 1sqb h VAL 132 N 0.39 1.16 -0.57 1.81 2.07 -1.59 -3.35 116.25 116.16 1sqb h VAL 132 Ca 0.08 -0.58 0.11 0.00 0.82 0.00 0.00 66.70 67.14 1sqb h VAL 132 Cb 0.41 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 1sqb h VAL 132 CO 0.02 0.20 0.02 -0.07 0.02 0.00 0.00 177.57 177.76 1sqb h LEU 133 N 0.43 -0.21 -2.24 2.57 3.38 -1.55 -0.50 115.31 117.19 1sqb h LEU 133 Ca 0.10 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.24 1sqb h LEU 133 Cb 0.21 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sqb h LEU 133 CO -0.00 -0.08 0.25 -0.65 0.09 0.00 0.00 178.44 178.05 1sqb h PRO 134 N 0.14 0.00 -6.01 1.13 0.11 -1.77 -3.44 132.00 122.16 1sqb h PRO 134 Ca 0.30 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.98 1sqb h PRO 134 Cb 0.46 0.00 0.08 0.00 0.11 0.00 0.00 31.00 31.65 1sqb h PRO 134 CO -0.47 0.00 -0.71 1.87 -0.21 0.00 0.00 178.00 178.48 1sqb n TRP 135 N -3.28 -2.69 -1.75 0.65 -0.00 -0.20 -3.48 117.44 106.68 1sqb n TRP 135 Ca 0.00 0.98 -0.24 0.00 -0.00 0.00 0.00 57.50 58.24 1sqb n TRP 135 Cb 0.34 -4.68 0.17 0.00 -0.00 0.00 0.00 31.31 27.14 1sqb n TRP 135 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sqb n GLY 136 N -1.90 -1.45 0.23 5.87 0.00 -1.26 -1.61 105.19 105.06 1sqb n GLY 136 Ca 0.02 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 1sqb n GLY 136 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1sqb h GLN 137 N 0.00 0.74 -0.08 1.61 1.08 -1.04 -2.19 115.11 115.23 1sqb h GLN 137 Ca -0.35 -0.14 -0.13 0.00 -1.45 0.00 0.00 58.65 56.57 1sqb h GLN 137 Cb 0.97 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 1sqb h GLN 137 CO 0.25 0.68 -0.54 1.98 -0.95 0.00 0.00 178.83 180.24 1sqb h MET 138 N 0.66 0.24 -0.15 1.46 4.05 -1.88 -1.09 114.93 118.22 1sqb h MET 138 Ca 0.16 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 1sqb h MET 138 Cb 0.22 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1sqb h MET 138 CO -0.01 0.72 0.07 0.77 0.23 0.00 0.00 176.91 178.69 1sqb h SER 139 N 0.18 0.11 0.00 1.39 0.02 -1.75 0.11 113.55 113.61 1sqb h SER 139 Ca 0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1sqb h SER 139 Cb 1.01 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1sqb h SER 139 CO 0.08 0.08 -0.00 0.15 -1.14 0.00 0.00 176.83 176.01 1sqb h PHE 140 N 0.16 -0.00 0.00 3.45 3.57 -1.32 -2.96 116.94 119.83 1sqb h PHE 140 Ca 0.06 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1sqb h PHE 140 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1sqb h PHE 140 CO -0.09 0.69 -0.43 -1.49 -2.23 0.00 0.00 178.31 174.76 1sqb h TRP 141 N -0.70 0.00 -0.48 0.41 4.06 -1.21 -0.71 115.95 117.31 1sqb h TRP 141 Ca -0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 1sqb h TRP 141 Cb 0.69 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.83 1sqb h TRP 141 CO 0.17 0.43 0.07 0.78 -3.56 0.00 0.00 178.44 176.32 1sqb h GLY 142 N 1.70 0.87 0.81 1.49 0.00 -0.90 -2.47 103.07 104.57 1sqb h GLY 142 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1sqb h GLY 142 CO 0.06 0.55 0.02 0.00 0.00 0.00 0.00 176.54 177.17 1sqb h ALA 143 N 0.96 0.17 -0.62 3.60 0.00 -1.24 -2.55 119.26 119.58 1sqb h ALA 143 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1sqb h ALA 143 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1sqb h ALA 143 CO 0.01 -0.18 0.17 1.79 0.00 0.00 0.00 179.25 181.04 1sqb h THR 144 N -0.01 1.24 0.00 0.00 1.35 -1.23 -1.32 112.91 112.94 1sqb h THR 144 Ca 0.04 -0.84 -0.00 0.00 -0.55 0.00 0.00 66.41 65.05 1sqb h THR 144 Cb 0.28 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.29 1sqb h THR 144 CO 0.00 0.32 -0.01 1.62 -0.25 0.00 0.00 175.52 177.21 1sqb h VAL 145 N 0.91 0.01 0.00 6.82 3.04 -1.28 -3.01 116.25 122.74 1sqb h VAL 145 Ca 0.20 -0.72 -0.42 0.00 -1.01 0.00 0.00 66.70 64.75 1sqb h VAL 145 Cb 0.29 1.72 -0.07 0.00 -2.01 0.00 0.00 31.29 31.22 1sqb h VAL 145 CO -0.00 0.01 -2.44 -0.38 -1.01 0.00 0.00 177.57 173.75 1sqb n ILE 146 N -3.10 1.42 -0.32 3.17 2.08 -0.98 -4.48 119.36 117.15 1sqb n ILE 146 Ca 0.02 -0.41 -0.01 0.00 0.56 0.00 0.00 62.75 62.91 1sqb n ILE 146 Cb 0.40 -1.72 0.11 0.00 -0.75 0.00 0.00 39.64 37.68 1sqb n ILE 146 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1sqb h THR 147 N -0.68 1.14 0.00 1.39 1.35 -1.37 -2.51 112.91 112.24 1sqb h THR 147 Ca -0.63 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1sqb h THR 147 Cb 1.65 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1sqb h THR 147 CO -0.31 0.20 0.10 0.59 -0.25 0.00 0.00 175.52 175.84 1sqb n ASN 148 N -4.54 0.33 0.07 5.36 3.02 -1.14 -1.13 115.26 117.24 1sqb n ASN 148 Ca 0.11 0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 55.24 1sqb n ASN 148 Cb 0.09 -0.63 0.22 0.00 -0.61 0.00 0.00 39.78 38.85 1sqb n ASN 148 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sqb h LEU 149 N 0.00 0.33 -1.01 3.41 3.38 -1.67 -3.04 115.31 116.71 1sqb h LEU 149 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1sqb h LEU 149 Cb 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sqb h LEU 149 CO 0.00 0.67 0.00 0.18 0.09 0.00 0.00 178.44 179.38 1sqb n LEU 150 N -4.06 0.53 0.23 1.67 4.77 -0.29 -1.44 117.00 118.42 1sqb n LEU 150 Ca -0.01 0.70 0.06 0.00 -0.03 0.00 0.00 56.01 56.73 1sqb n LEU 150 Cb 0.45 -0.70 0.54 0.00 -2.33 0.00 0.00 43.42 41.38 1sqb n LEU 150 CO 0.42 -0.75 0.94 0.28 -1.33 0.00 0.00 177.39 176.95 1sqb h SER 151 N 0.00 0.00 0.91 -1.43 0.02 -1.72 -3.09 113.55 108.23 1sqb h SER 151 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sqb h SER 151 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1sqb h SER 151 CO 0.00 0.14 0.00 0.00 -1.14 0.00 0.00 176.83 175.83 1sqb n ALA 152 N -2.50 1.94 -2.04 3.77 0.00 -0.52 -4.11 120.51 117.04 1sqb n ALA 152 Ca -0.03 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1sqb n ALA 152 Cb 0.21 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1sqb n ALA 152 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sqb s ILE 153 N -3.13 3.24 0.27 0.00 1.01 -1.17 -4.55 121.20 116.88 1sqb s ILE 153 Ca 0.08 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 1sqb s ILE 153 Cb 0.12 -3.46 -0.11 0.00 0.01 0.00 0.00 42.46 39.02 1sqb s ILE 153 CO 0.44 0.01 1.57 -2.84 0.00 0.00 0.00 174.94 174.12 1sqb s PRO 154 N 2.30 4.15 0.00 2.79 0.02 -1.26 -1.63 135.00 141.37 1sqb s PRO 154 Ca 0.69 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1sqb s PRO 154 Cb -0.37 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1sqb s PRO 154 CO 0.30 -0.60 0.00 0.98 -0.33 0.00 0.00 177.00 177.35 1sqb n TYR 155 N 2.40 0.00 -0.20 6.54 9.36 -1.26 -4.03 117.16 129.96 1sqb n TYR 155 Ca 0.09 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.21 1sqb n TYR 155 Cb 0.38 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.11 1sqb n TYR 155 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 1sqb h ILE 156 N 0.00 1.27 0.00 2.97 2.04 -1.98 -3.43 117.51 118.38 1sqb h ILE 156 Ca 0.00 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.69 1sqb h ILE 156 Cb 0.00 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1sqb h ILE 156 CO 0.00 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.18 1sqb n GLY 157 N -0.38 0.00 0.36 5.37 0.00 -0.65 -2.61 105.19 107.28 1sqb n GLY 157 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1sqb n GLY 157 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1sqb h THR 158 N 0.00 0.76 -0.84 2.61 1.35 -1.78 -1.00 112.91 114.01 1sqb h THR 158 Ca 0.00 -0.26 0.04 0.00 -0.55 0.00 0.00 66.41 65.64 1sqb h THR 158 Cb 0.00 -0.07 -0.05 0.00 -1.73 0.00 0.00 68.15 66.30 1sqb h THR 158 CO 0.00 0.14 0.55 0.78 -0.25 0.00 0.00 175.52 176.74 1sqb h ASN 159 N 0.76 0.89 0.08 5.36 2.35 -1.81 -2.35 115.58 120.86 1sqb h ASN 159 Ca 0.54 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.27 1sqb h ASN 159 Cb 0.84 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1sqb h ASN 159 CO -0.32 0.61 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.97 1sqb h LEU 160 N 1.03 -0.09 -0.39 1.61 3.38 -0.98 -2.33 115.31 117.54 1sqb h LEU 160 Ca 0.33 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1sqb h LEU 160 Cb 0.04 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1sqb h LEU 160 CO -0.10 0.25 0.17 0.58 0.09 0.00 0.00 178.44 179.44 1sqb h VAL 161 N -0.45 0.94 0.00 1.22 2.07 -1.44 0.17 116.25 118.75 1sqb h VAL 161 Ca -0.01 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1sqb h VAL 161 Cb 0.38 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1sqb h VAL 161 CO 0.02 0.07 0.00 -0.33 0.02 0.00 0.00 177.57 177.34 1sqb h GLU 162 N 0.36 0.00 0.20 1.57 5.08 -1.49 0.20 114.58 120.50 1sqb h GLU 162 Ca 0.17 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.20 1sqb h GLU 162 Cb 0.11 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1sqb h GLU 162 CO -0.14 0.00 -1.59 2.35 -1.00 0.00 0.00 179.01 178.62 1sqb h TRP 163 N 0.00 0.76 -0.02 4.33 7.01 -0.73 -2.89 115.95 124.41 1sqb h TRP 163 Ca 0.00 -0.56 -0.13 0.00 2.11 0.00 0.00 58.89 60.31 1sqb h TRP 163 Cb 0.43 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1sqb h TRP 163 CO 0.00 1.57 -0.60 0.82 -2.79 0.00 0.00 178.44 177.43 1sqb h ILE 164 N 0.11 1.42 0.04 2.65 2.04 -0.51 -3.32 117.51 119.94 1sqb h ILE 164 Ca -0.28 -2.04 -0.22 0.00 1.00 0.00 0.00 64.86 63.32 1sqb h ILE 164 Cb 2.11 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 40.26 1sqb h ILE 164 CO 0.21 0.59 -1.00 -0.50 0.00 0.00 0.00 178.15 177.45 1sqb h TRP 165 N 0.06 0.29 -0.35 1.37 6.55 -0.72 -3.46 115.95 119.69 1sqb h TRP 165 Ca -0.01 -0.18 -0.14 0.00 0.95 0.00 0.00 58.89 59.51 1sqb h TRP 165 Cb 1.08 -0.02 -0.05 0.00 -0.86 0.00 0.00 29.16 29.31 1sqb h TRP 165 CO 0.01 1.07 -0.13 0.41 -1.05 0.00 0.00 178.44 178.75 1sqb n GLY 166 N 1.16 0.86 0.00 1.49 0.00 -1.10 -3.89 105.19 103.71 1sqb n GLY 166 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1sqb n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqb n GLY 167 N -2.11 -0.70 0.00 -0.02 0.00 -1.20 -4.91 105.19 96.24 1sqb n GLY 167 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1sqb n GLY 167 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sqb n PHE 168 N 0.00 0.00 -3.85 1.61 3.72 -1.26 -4.54 117.46 113.14 1sqb n PHE 168 Ca 0.00 -0.04 -0.08 0.00 -0.05 0.00 0.00 57.45 57.28 1sqb n PHE 168 Cb 0.00 -0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1sqb n PHE 168 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1sqb s SER 169 N -0.08 -0.08 -0.58 4.37 1.04 -1.26 -5.06 113.70 112.06 1sqb s SER 169 Ca 0.00 -0.92 -0.27 0.00 0.48 0.00 0.00 55.95 55.24 1sqb s SER 169 Cb 0.00 0.78 -0.01 0.00 0.10 0.00 0.00 66.02 66.89 1sqb s SER 169 CO 0.00 -1.50 1.74 -0.69 0.98 0.00 0.00 173.24 173.77 1sqb s VAL 170 N -3.12 3.46 0.00 5.02 1.01 -1.26 -4.78 120.40 120.74 1sqb s VAL 170 Ca 0.14 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1sqb s VAL 170 Cb -0.05 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1sqb s VAL 170 CO 0.10 -0.96 0.00 -0.67 0.00 0.00 0.00 175.10 173.57 1sqb n ASP 171 N 11.71 0.00 0.01 3.32 -0.08 -1.26 -4.99 116.55 125.26 1sqb n ASP 171 Ca 0.18 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.36 1sqb n ASP 171 Cb 0.51 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.92 1sqb n ASP 171 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1sqb h LYS 172 N 0.00 -0.05 -0.60 -0.67 1.57 -1.92 -3.06 116.57 111.84 1sqb h LYS 172 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1sqb h LYS 172 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1sqb h LYS 172 CO 0.00 -0.03 0.04 0.00 -0.57 0.00 0.00 179.45 178.89 1sqb h ALA 173 N 1.03 0.93 -0.83 3.86 0.00 -1.91 -3.01 119.26 119.34 1sqb h ALA 173 Ca 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1sqb h ALA 173 Cb 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1sqb h ALA 173 CO -0.12 0.65 0.39 1.15 0.00 0.00 0.00 179.25 181.32 1sqb h THR 174 N 0.94 1.26 -0.61 0.00 2.02 -1.66 -1.01 112.91 113.85 1sqb h THR 174 Ca 0.18 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1sqb h THR 174 Cb 0.49 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1sqb h THR 174 CO 0.02 0.31 0.18 0.25 0.37 0.00 0.00 175.52 176.65 1sqb h LEU 175 N 1.18 0.90 0.00 2.58 7.12 -1.43 -2.26 115.31 123.40 1sqb h LEU 175 Ca 0.28 -0.22 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1sqb h LEU 175 Cb 0.13 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.02 1sqb h LEU 175 CO -0.03 0.88 -0.00 0.74 -0.13 0.00 0.00 178.44 179.89 1sqb h THR 176 N 0.88 1.32 -0.13 1.05 2.02 -1.37 -2.78 112.91 113.90 1sqb h THR 176 Ca 0.20 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 1sqb h THR 176 Cb 0.31 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1sqb h THR 176 CO -0.00 0.24 -0.32 0.08 0.37 0.00 0.00 175.52 175.89 1sqb h ARG 177 N -0.40 0.26 -0.03 6.66 0.11 -1.24 -2.49 114.38 117.25 1sqb h ARG 177 Ca -0.00 -0.10 -0.06 0.00 0.10 0.00 0.00 59.98 59.91 1sqb h ARG 177 Cb 0.40 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 1sqb h ARG 177 CO 0.00 0.56 -0.28 0.74 0.10 0.00 0.00 179.97 181.09 1sqb h PHE 178 N 0.23 0.06 -0.19 4.08 -1.00 -1.41 -0.52 116.94 118.19 1sqb h PHE 178 Ca 0.03 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 1sqb h PHE 178 Cb 0.68 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 40.22 1sqb h PHE 178 CO 0.01 0.34 -0.17 0.35 -1.61 0.00 0.00 178.31 177.23 1sqb h PHE 179 N 0.05 0.54 -0.02 -0.55 3.57 -1.16 -0.96 116.94 118.41 1sqb h PHE 179 Ca 0.01 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.37 1sqb h PHE 179 Cb 0.53 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1sqb h PHE 179 CO 0.00 0.80 -0.10 0.00 -2.23 0.00 0.00 178.31 176.78 1sqb h ALA 180 N 0.65 -0.10 -0.21 2.41 0.00 -1.01 0.64 119.26 121.64 1sqb h ALA 180 Ca 0.03 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1sqb h ALA 180 Cb 0.70 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1sqb h ALA 180 CO 0.04 -0.59 -0.17 0.74 0.00 0.00 0.00 179.25 179.27 1sqb h PHE 181 N -0.17 0.39 0.00 0.00 0.04 -1.18 -1.52 116.94 114.49 1sqb h PHE 181 Ca 0.05 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.67 1sqb h PHE 181 Cb 0.23 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1sqb h PHE 181 CO -0.18 0.52 -0.42 1.25 -0.60 0.00 0.00 178.31 178.89 1sqb h HIS 182 N 0.34 0.00 0.06 -0.55 2.76 -0.76 -1.85 115.15 115.15 1sqb h HIS 182 Ca 0.06 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.09 1sqb h HIS 182 Cb 0.50 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.47 1sqb h HIS 182 CO 0.01 0.42 -0.60 0.35 -1.30 0.00 0.00 177.93 176.81 1sqb h PHE 183 N 0.00 0.50 -0.17 5.26 3.04 0.07 -3.39 116.94 122.25 1sqb h PHE 183 Ca -0.00 -0.31 -0.18 0.00 3.98 0.00 0.00 57.97 61.45 1sqb h PHE 183 Cb 0.87 -0.04 0.01 0.00 2.56 0.00 0.00 35.95 39.35 1sqb h PHE 183 CO 0.00 1.17 -0.61 0.97 -2.02 0.00 0.00 178.31 177.82 1sqb h ILE 184 N -0.32 1.31 -0.66 1.41 2.10 -1.32 -3.38 117.51 116.66 1sqb h ILE 184 Ca -0.09 -1.84 0.13 0.00 1.08 0.00 0.00 64.86 64.13 1sqb h ILE 184 Cb 1.38 1.97 -0.09 0.00 -1.09 0.00 0.00 36.82 38.99 1sqb h ILE 184 CO 0.12 0.58 0.16 -0.07 -1.08 0.00 0.00 178.15 177.86 1sqb h LEU 185 N 0.41 0.04 -1.96 2.19 3.38 -1.52 -2.28 115.31 115.58 1sqb h LEU 185 Ca -0.03 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1sqb h LEU 185 Cb 1.24 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1sqb h LEU 185 CO 0.13 0.01 0.13 -0.65 0.09 0.00 0.00 178.44 178.15 1sqb h PRO 186 N 0.29 0.05 -0.09 1.13 0.11 -1.78 0.41 132.00 132.12 1sqb h PRO 186 Ca 0.35 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.39 1sqb h PRO 186 Cb 0.55 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1sqb h PRO 186 CO -0.43 0.03 -0.22 0.74 -0.21 0.00 0.00 178.00 177.92 1sqb h PHE 187 N 0.05 0.38 -0.39 0.65 0.04 -1.65 -0.73 116.94 115.29 1sqb h PHE 187 Ca 0.08 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1sqb h PHE 187 Cb 0.27 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1sqb h PHE 187 CO -0.00 0.83 0.26 0.82 -0.60 0.00 0.00 178.31 179.62 1sqb h ILE 188 N -0.17 1.10 0.27 -0.55 2.04 -1.20 -1.00 117.51 118.00 1sqb h ILE 188 Ca -0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1sqb h ILE 188 Cb 0.82 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1sqb h ILE 188 CO 0.05 0.10 -0.13 0.40 0.00 0.00 0.00 178.15 178.56 1sqb h ILE 189 N 0.53 0.75 -0.89 -0.67 2.04 -0.10 -2.21 117.51 116.96 1sqb h ILE 189 Ca 0.14 -0.09 0.06 0.00 1.00 0.00 0.00 64.86 65.97 1sqb h ILE 189 Cb -0.06 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 1sqb h ILE 189 CO -0.03 0.02 0.56 -0.03 0.00 0.00 0.00 178.15 178.67 1sqb h MET 190 N -0.41 1.00 -0.59 2.37 4.05 0.00 0.40 114.93 121.76 1sqb h MET 190 Ca -0.04 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.26 1sqb h MET 190 Cb 0.31 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1sqb h MET 190 CO 0.06 0.66 0.12 0.00 0.23 0.00 0.00 176.91 177.98 1sqb h ALA 191 N 1.41 1.10 -0.13 0.39 0.00 -1.23 -0.48 119.26 120.33 1sqb h ALA 191 Ca 0.39 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1sqb h ALA 191 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sqb h ALA 191 CO -0.17 0.59 -0.72 0.82 0.00 0.00 0.00 179.25 179.77 1sqb h ILE 192 N 0.88 1.33 -0.20 0.00 2.04 -0.33 -2.69 117.51 118.54 1sqb h ILE 192 Ca 0.19 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.01 1sqb h ILE 192 Cb 0.35 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1sqb h ILE 192 CO 0.00 0.63 0.07 0.00 0.00 0.00 0.00 178.15 178.85 1sqb h ALA 193 N 0.78 1.75 -0.36 1.87 0.00 -0.04 0.30 119.26 123.57 1sqb h ALA 193 Ca -0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1sqb h ALA 193 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1sqb h ALA 193 CO 0.14 0.20 -0.11 0.52 0.00 0.00 0.00 179.25 180.00 1sqb h MET 194 N 0.28 0.71 -0.13 0.00 2.86 -0.90 -2.56 114.93 115.20 1sqb h MET 194 Ca 0.07 -0.28 -0.13 0.00 -2.06 0.00 0.00 59.70 57.30 1sqb h MET 194 Cb 0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1sqb h MET 194 CO -0.01 0.88 -0.47 0.28 1.06 0.00 0.00 176.91 178.64 1sqb h VAL 195 N 0.50 1.33 -0.13 -2.22 2.07 -1.00 -1.32 116.25 115.48 1sqb h VAL 195 Ca 0.09 -1.68 0.04 0.00 0.82 0.00 0.00 66.70 65.96 1sqb h VAL 195 Cb 0.63 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 1sqb h VAL 195 CO 0.04 0.51 -0.10 -0.74 0.02 0.00 0.00 177.57 177.30 1sqb h HIS 196 N 0.26 -0.24 -0.23 1.57 6.17 -0.42 -1.93 115.15 120.32 1sqb h HIS 196 Ca 0.01 0.02 -0.11 0.00 0.71 0.00 0.00 60.37 61.00 1sqb h HIS 196 Cb 0.94 0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.98 1sqb h HIS 196 CO 0.02 -0.15 -0.32 -0.07 0.71 0.00 0.00 177.93 178.12 1sqb h LEU 197 N -0.11 0.49 0.08 0.26 3.38 -1.15 -1.55 115.31 116.71 1sqb h LEU 197 Ca 0.08 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1sqb h LEU 197 Cb 0.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1sqb h LEU 197 CO -0.19 0.79 -0.22 0.25 0.09 0.00 0.00 178.44 179.15 1sqb h LEU 198 N 0.41 -0.64 -1.67 1.67 5.85 -1.01 -0.92 115.31 119.00 1sqb h LEU 198 Ca 0.05 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1sqb h LEU 198 Cb 0.77 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1sqb h LEU 198 CO 0.06 -0.30 0.10 -0.26 -0.34 0.00 0.00 178.44 177.69 1sqb h PHE 199 N -0.40 0.30 -0.31 1.25 0.04 -1.12 -2.99 116.94 113.71 1sqb h PHE 199 Ca 0.04 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 1sqb h PHE 199 Cb 0.44 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1sqb h PHE 199 CO -0.23 0.24 -0.15 1.25 -0.60 0.00 0.00 178.31 178.82 1sqb h LEU 200 N 0.31 0.67 -2.27 1.54 5.85 -0.75 -3.22 115.31 117.45 1sqb h LEU 200 Ca 0.08 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1sqb h LEU 200 Cb 0.06 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1sqb h LEU 200 CO -0.01 0.93 0.00 0.45 -0.34 0.00 0.00 178.44 179.47 1sqb h HIS 201 N 0.41 0.00 -0.76 1.25 3.86 -1.03 0.15 115.15 119.02 1sqb h HIS 201 Ca 0.07 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1sqb h HIS 201 Cb 0.68 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 1sqb h HIS 201 CO 0.06 0.00 0.46 1.49 0.86 0.00 0.00 177.93 180.80 1sqb h GLU 202 N 0.00 1.03 0.00 2.45 4.57 -1.55 -3.19 114.58 117.89 1sqb h GLU 202 Ca 0.00 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 1sqb h GLU 202 Cb 0.18 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1sqb h GLU 202 CO 0.00 0.73 -1.46 0.25 -1.18 0.00 0.00 179.01 177.34 1sqb n THR 203 N -4.38 0.15 -1.02 0.32 -2.24 -0.89 -5.13 114.28 101.09 1sqb n THR 203 Ca 0.08 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1sqb n THR 203 Cb 0.07 0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1sqb n THR 203 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqb n GLY 204 N 2.10 -2.21 3.80 3.38 0.00 0.48 -4.92 105.19 107.82 1sqb n GLY 204 Ca -0.05 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 1sqb n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqb s SER 205 N -2.61 6.84 0.90 1.61 0.01 -1.26 -4.81 113.70 114.38 1sqb s SER 205 Ca 0.00 1.81 -0.14 0.00 1.31 0.00 0.00 55.95 58.93 1sqb s SER 205 Cb 0.00 -2.56 0.16 0.00 0.21 0.00 0.00 66.02 63.83 1sqb s SER 205 CO 0.00 -0.43 1.26 0.21 0.41 0.00 0.00 173.24 174.70 1sqb s ASN 206 N -1.98 3.59 0.13 2.44 2.47 -1.26 -4.78 114.94 115.55 1sqb s ASN 206 Ca 0.61 0.39 -0.04 0.00 0.42 0.00 0.00 52.86 54.24 1sqb s ASN 206 Cb -0.14 -0.59 -0.03 0.00 -1.45 0.00 0.00 41.25 39.05 1sqb s ASN 206 CO 0.18 -2.44 0.13 0.54 -3.72 0.00 0.00 177.10 171.78 1sqb s ASN 207 N -4.79 0.23 0.63 -4.21 2.20 -1.26 -4.88 114.94 102.87 1sqb s ASN 207 Ca 0.70 -1.02 0.25 0.00 -0.94 0.00 0.00 52.86 51.84 1sqb s ASN 207 Cb -0.06 0.33 1.25 0.00 -2.00 0.00 0.00 41.25 40.76 1sqb s ASN 207 CO 0.51 -0.76 1.70 -0.65 -2.94 0.00 0.00 177.10 174.96 1sqb h PRO 208 N 2.80 0.00 0.00 3.55 0.11 -1.95 -0.17 132.00 136.34 1sqb h PRO 208 Ca -0.34 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 1sqb h PRO 208 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1sqb h PRO 208 CO 0.56 0.00 -1.20 1.79 -0.21 0.00 0.00 178.00 178.95 1sqb h THR 209 N 0.00 0.39 0.00 -1.15 1.35 -1.94 -3.40 112.91 108.16 1sqb h THR 209 Ca 0.13 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1sqb h THR 209 Cb 1.30 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 1sqb h THR 209 CO -0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1sqb n GLY 210 N 1.32 0.94 3.86 5.82 0.00 -0.08 -4.21 105.19 112.83 1sqb n GLY 210 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1sqb n GLY 210 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sqb s ILE 211 N -3.16 4.76 0.37 -0.61 1.01 -1.26 -4.56 121.20 117.75 1sqb s ILE 211 Ca 0.00 0.79 -0.28 0.00 0.00 0.00 0.00 60.65 61.16 1sqb s ILE 211 Cb 0.00 -3.61 -0.11 0.00 0.01 0.00 0.00 42.46 38.74 1sqb s ILE 211 CO 0.00 -0.16 1.39 -1.20 0.00 0.00 0.00 174.94 174.97 1sqb n SER 212 N -0.32 3.25 -0.96 3.58 7.64 -1.26 -4.73 113.62 120.83 1sqb n SER 212 Ca 0.03 1.20 0.09 0.00 1.01 0.00 0.00 58.87 61.20 1sqb n SER 212 Cb 0.53 -1.56 0.22 0.00 -1.01 0.00 0.00 64.21 62.39 1sqb n SER 212 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1sqb n SER 213 N 0.52 3.31 -0.22 6.43 3.41 -1.26 -4.62 113.62 121.20 1sqb n SER 213 Ca 0.03 -1.96 0.17 0.00 -0.26 0.00 0.00 58.87 56.85 1sqb n SER 213 Cb 0.38 -0.31 0.50 0.00 -0.26 0.00 0.00 64.21 64.51 1sqb n SER 213 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sqb h ASP 214 N 3.18 0.42 0.94 4.04 3.32 -1.98 0.76 116.42 127.09 1sqb h ASP 214 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1sqb h ASP 214 Cb 0.84 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1sqb h ASP 214 CO 0.00 0.19 0.00 1.33 -1.72 0.00 0.00 179.24 179.04 1sqb n VAL 215 N -4.50 0.60 -2.68 -1.35 0.24 -1.26 -3.98 118.33 105.38 1sqb n VAL 215 Ca 0.17 0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.44 1sqb n VAL 215 Cb 0.62 -0.80 0.06 0.00 -1.47 0.00 0.00 33.84 32.24 1sqb n VAL 215 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1sqb n ASP 216 N -1.88 0.56 -4.77 -1.34 2.03 0.22 -5.11 116.55 106.26 1sqb n ASP 216 Ca 0.05 -2.58 -0.39 0.00 0.52 0.00 0.00 54.79 52.38 1sqb n ASP 216 Cb 0.30 -0.12 -0.06 0.00 -0.72 0.00 0.00 41.12 40.52 1sqb n ASP 216 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1sqb s LYS 217 N -2.28 4.49 0.11 -0.67 -0.14 -0.98 -2.62 119.74 117.65 1sqb s LYS 217 Ca 0.25 1.07 0.10 0.00 -1.36 0.00 0.00 55.97 56.03 1sqb s LYS 217 Cb 0.43 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.25 1sqb s LYS 217 CO -0.00 0.46 -0.27 0.96 -0.76 0.00 0.00 175.35 175.74 1sqb s ILE 218 N -0.68 2.20 0.35 2.17 -4.36 0.89 -4.87 121.20 116.89 1sqb s ILE 218 Ca 0.36 -1.64 -0.28 0.00 -0.26 0.00 0.00 60.65 58.83 1sqb s ILE 218 Cb -0.22 -1.93 -0.10 0.00 1.25 0.00 0.00 42.46 41.47 1sqb s ILE 218 CO 0.24 0.16 1.31 -2.16 0.24 0.00 0.00 174.94 174.72 1sqb s PRO 219 N -1.82 4.24 0.26 0.37 0.04 -1.26 0.01 135.00 136.84 1sqb s PRO 219 Ca 0.13 2.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 1sqb s PRO 219 Cb -0.10 -2.97 0.52 0.00 0.04 0.00 0.00 34.50 31.99 1sqb s PRO 219 CO 0.05 -0.28 1.78 0.35 0.04 0.00 0.00 177.00 178.94 1sqb h PHE 220 N 3.16 0.84 -3.20 0.56 3.04 -1.08 -3.36 116.94 116.89 1sqb h PHE 220 Ca -0.49 0.03 -0.60 0.00 3.98 0.00 0.00 57.97 60.89 1sqb h PHE 220 Cb 1.23 -0.24 -0.10 0.00 2.56 0.00 0.00 35.95 39.40 1sqb h PHE 220 CO 0.55 0.24 -0.35 -1.58 -2.02 0.00 0.00 178.31 175.15 1sqb s HIS 221 N -5.97 3.49 -2.35 0.41 2.46 -0.70 -0.06 115.29 112.57 1sqb s HIS 221 Ca -0.12 0.59 0.24 0.00 0.47 0.00 0.00 55.06 56.24 1sqb s HIS 221 Cb 0.21 -2.27 0.24 0.00 -0.13 0.00 0.00 32.58 30.63 1sqb s HIS 221 CO 0.78 0.33 1.26 -0.35 -2.47 0.00 0.00 174.74 174.29 1sqb n PRO 222 N 3.25 1.56 0.16 2.88 -0.05 -1.26 -4.92 135.00 136.61 1sqb n PRO 222 Ca -0.13 -1.23 -0.14 0.00 -0.05 0.00 0.00 63.50 61.95 1sqb n PRO 222 Cb 0.52 -1.47 -0.07 0.00 -0.05 0.00 0.00 33.50 32.43 1sqb n PRO 222 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 1sqb h TYR 223 N 2.99 -0.45 -0.00 0.54 0.05 -1.67 -1.16 116.97 117.27 1sqb h TYR 223 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1sqb h TYR 223 Cb 0.78 0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.69 1sqb h TYR 223 CO 0.00 -0.27 -0.31 0.66 -1.05 0.00 0.00 178.16 177.20 1sqb n TYR 224 N -5.30 0.00 0.11 4.88 4.01 0.91 -2.46 117.16 119.32 1sqb n TYR 224 Ca -0.09 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.55 1sqb n TYR 224 Cb 0.21 -0.19 -0.07 0.00 -0.31 0.00 0.00 39.34 38.99 1sqb n TYR 224 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1sqb h THR 225 N 0.66 0.55 -0.11 -0.72 2.02 -1.04 -2.67 112.91 111.61 1sqb h THR 225 Ca 0.00 -0.88 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1sqb h THR 225 Cb 0.48 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1sqb h THR 225 CO 0.00 0.13 -0.34 -0.29 0.37 0.00 0.00 175.52 175.39 1sqb h ILE 226 N -0.94 1.27 -0.00 3.11 6.09 -1.31 -1.68 117.51 124.05 1sqb h ILE 226 Ca -0.04 -1.32 -0.12 0.00 -1.37 0.00 0.00 64.86 62.01 1sqb h ILE 226 Cb 0.49 1.57 -0.02 0.00 0.47 0.00 0.00 36.82 39.34 1sqb h ILE 226 CO 0.06 0.39 -0.58 0.50 -3.07 0.00 0.00 178.15 175.45 1sqb h LYS 227 N 0.18 0.00 0.00 2.19 3.64 -1.60 -2.17 116.57 118.82 1sqb h LYS 227 Ca 0.02 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 1sqb h LYS 227 Cb 0.69 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1sqb h LYS 227 CO 0.05 0.58 -0.82 -0.44 -2.27 0.00 0.00 179.45 176.55 1sqb h ASP 228 N 0.00 0.00 -0.03 4.20 5.19 -1.08 -2.63 116.42 122.08 1sqb h ASP 228 Ca -0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1sqb h ASP 228 Cb 1.03 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 1sqb h ASP 228 CO 0.08 0.81 0.00 0.40 -3.12 0.00 0.00 179.24 177.40 1sqb h ILE 229 N 0.00 1.24 -0.84 0.35 2.04 -1.14 -1.29 117.51 117.87 1sqb h ILE 229 Ca -0.01 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1sqb h ILE 229 Cb 1.63 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 39.34 1sqb h ILE 229 CO 0.10 0.19 0.54 0.25 0.00 0.00 0.00 178.15 179.24 1sqb h LEU 230 N -0.25 0.90 -0.77 1.44 5.85 -1.49 -1.00 115.31 120.00 1sqb h LEU 230 Ca 0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1sqb h LEU 230 Cb 0.31 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1sqb h LEU 230 CO 0.00 0.63 0.20 1.23 -0.34 0.00 0.00 178.44 180.16 1sqb h GLY 231 N 1.06 1.21 1.66 3.75 0.00 -1.45 -2.06 103.07 107.23 1sqb h GLY 231 Ca 0.33 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1sqb h GLY 231 CO -0.11 0.68 -0.45 0.00 0.00 0.00 0.00 176.54 176.67 1sqb h ALA 232 N 1.14 0.95 0.00 3.60 0.00 -0.74 -2.02 119.26 122.19 1sqb h ALA 232 Ca 0.23 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1sqb h ALA 232 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1sqb h ALA 232 CO -0.00 0.64 -0.27 1.25 0.00 0.00 0.00 179.25 180.87 1sqb h LEU 233 N 0.31 0.00 -0.16 0.00 5.85 -0.89 0.25 115.31 120.68 1sqb h LEU 233 Ca 0.02 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.52 1sqb h LEU 233 Cb 0.91 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1sqb h LEU 233 CO 0.08 0.27 -0.97 -0.07 -0.34 0.00 0.00 178.44 177.40 1sqb h LEU 234 N 0.00 0.43 -0.47 2.25 3.38 -1.08 -2.47 115.31 117.34 1sqb h LEU 234 Ca -0.00 -0.36 -0.17 0.00 0.09 0.00 0.00 57.88 57.44 1sqb h LEU 234 Cb 0.49 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1sqb h LEU 234 CO 0.03 1.18 -0.63 0.25 0.09 0.00 0.00 178.44 179.36 1sqb h LEU 235 N 0.17 0.55 -0.68 1.67 5.85 -0.85 -2.08 115.31 119.94 1sqb h LEU 235 Ca -0.08 -0.32 -0.12 0.00 0.84 0.00 0.00 57.88 58.20 1sqb h LEU 235 Cb 1.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1sqb h LEU 235 CO 0.16 1.04 -0.22 0.40 -0.34 0.00 0.00 178.44 179.48 1sqb h ILE 236 N 0.36 1.27 0.09 4.05 2.04 -1.03 -1.16 117.51 123.13 1sqb h ILE 236 Ca -0.01 -1.34 0.01 0.00 1.00 0.00 0.00 64.86 64.53 1sqb h ILE 236 Cb 1.18 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1sqb h ILE 236 CO 0.11 0.45 -0.17 0.25 0.00 0.00 0.00 178.15 178.79 1sqb h LEU 237 N 0.69 -0.48 -0.66 1.44 5.85 -1.27 0.34 115.31 121.23 1sqb h LEU 237 Ca 0.10 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1sqb h LEU 237 Cb 0.74 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1sqb h LEU 237 CO 0.06 -0.25 0.32 0.00 -0.34 0.00 0.00 178.44 178.23 1sqb h ALA 238 N 0.51 0.85 -0.16 1.25 0.00 -1.38 0.16 119.26 120.49 1sqb h ALA 238 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sqb h ALA 238 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sqb h ALA 238 CO -0.10 0.41 0.03 1.25 0.00 0.00 0.00 179.25 180.83 1sqb h LEU 239 N 0.91 0.26 -0.51 0.00 5.85 -0.94 -2.88 115.31 117.99 1sqb h LEU 239 Ca 0.23 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1sqb h LEU 239 Cb 0.11 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1sqb h LEU 239 CO -0.03 0.45 0.00 0.24 -0.34 0.00 0.00 178.44 178.76 1sqb h MET 240 N 0.05 0.00 -0.42 1.25 2.86 -0.21 -1.15 114.93 117.31 1sqb h MET 240 Ca 0.05 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1sqb h MET 240 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1sqb h MET 240 CO 0.00 0.00 -0.15 -0.07 1.06 0.00 0.00 176.91 177.75 1sqb h LEU 241 N 0.00 0.86 0.20 1.22 3.38 -0.59 -2.57 115.31 117.82 1sqb h LEU 241 Ca 0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1sqb h LEU 241 Cb 0.61 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1sqb h LEU 241 CO 0.00 1.05 -0.10 -0.07 0.09 0.00 0.00 178.44 179.42 1sqb h LEU 242 N 0.67 -0.23 -1.49 1.67 4.07 -1.25 -2.14 115.31 116.61 1sqb h LEU 242 Ca 0.10 -0.30 0.01 0.00 0.08 0.00 0.00 57.88 57.77 1sqb h LEU 242 Cb 0.70 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.48 1sqb h LEU 242 CO 0.05 0.26 0.35 0.58 -1.08 0.00 0.00 178.44 178.60 1sqb h VAL 243 N -0.82 1.13 -0.14 1.22 2.07 -1.33 -0.55 116.25 117.83 1sqb h VAL 243 Ca -0.03 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1sqb h VAL 243 Cb 0.52 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1sqb h VAL 243 CO 0.05 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1sqb n LEU 244 N -4.46 2.35 0.00 2.57 4.77 -0.97 -4.39 117.00 116.87 1sqb n LEU 244 Ca 0.05 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1sqb n LEU 244 Cb 0.05 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1sqb n LEU 244 CO 0.36 0.50 -0.05 0.49 -1.33 0.00 0.00 177.39 177.36 1sqb n PHE 245 N 0.65 0.00 -3.14 -1.77 3.72 -0.81 -5.00 117.46 111.12 1sqb n PHE 245 Ca 0.09 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.28 1sqb n PHE 245 Cb 0.35 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.85 1sqb n PHE 245 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sqb n ALA 246 N -1.26 2.73 0.36 4.37 0.00 -0.31 -4.97 120.51 121.44 1sqb n ALA 246 Ca 0.00 -3.75 0.13 0.00 0.00 0.00 0.00 53.44 49.82 1sqb n ALA 246 Cb 0.05 -0.87 0.55 0.00 0.00 0.00 0.00 19.45 19.17 1sqb n ALA 246 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1sqb h PRO 247 N 3.09 0.00 -0.17 0.00 0.11 -1.51 -2.74 132.00 130.77 1sqb h PRO 247 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1sqb h PRO 247 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1sqb h PRO 247 CO 0.58 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.12 1sqb n ASP 248 N -2.47 2.38 0.13 -2.05 8.00 -1.26 -4.76 116.55 116.53 1sqb n ASP 248 Ca 0.02 -1.71 -0.14 0.00 0.71 0.00 0.00 54.79 53.67 1sqb n ASP 248 Cb 0.25 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 41.16 1sqb n ASP 248 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1sqb h LEU 249 N 2.09 -0.27 -0.71 0.64 5.85 -1.86 -3.20 115.31 117.84 1sqb h LEU 249 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1sqb h LEU 249 Cb 0.58 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1sqb h LEU 249 CO 0.00 0.02 0.00 0.18 -0.34 0.00 0.00 178.44 178.30 1sqb n LEU 250 N -5.12 1.09 -4.89 2.25 4.77 -1.26 -4.90 117.00 108.94 1sqb n LEU 250 Ca -0.09 -0.38 -0.21 0.00 -0.03 0.00 0.00 56.01 55.30 1sqb n LEU 250 Cb 0.23 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1sqb n LEU 250 CO 0.32 0.19 -0.04 -0.83 -1.33 0.00 0.00 177.39 175.70 1sqb s GLY 251 N -1.91 1.72 -0.19 -0.72 0.00 -1.21 -4.52 107.32 100.49 1sqb s GLY 251 Ca 0.39 -1.59 -0.08 0.00 0.00 0.00 0.00 44.72 43.43 1sqb s GLY 251 CO 0.33 -1.52 0.08 -0.35 0.00 0.00 0.00 173.10 171.64 1sqb s ASP 252 N -4.04 5.81 0.54 1.64 2.15 -1.26 -5.01 116.67 116.50 1sqb s ASP 252 Ca 0.42 0.13 0.20 0.00 0.43 0.00 0.00 52.55 53.72 1sqb s ASP 252 Cb -0.07 -2.00 1.42 0.00 -0.30 0.00 0.00 42.92 41.97 1sqb s ASP 252 CO 0.28 0.18 2.18 -0.65 -0.17 0.00 0.00 175.17 176.98 1sqb h PRO 253 N 6.69 0.00 -0.02 4.34 0.11 -2.00 -2.92 132.00 138.20 1sqb h PRO 253 Ca -0.38 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.74 1sqb h PRO 253 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1sqb h PRO 253 CO 0.72 0.00 0.02 -0.44 -0.21 0.00 0.00 178.00 178.09 1sqb h ASP 254 N 0.00 0.00 0.23 -2.05 5.19 -1.95 -1.29 116.42 116.56 1sqb h ASP 254 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1sqb h ASP 254 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1sqb h ASP 254 CO -0.00 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.71 1sqb n ASN 255 N -4.28 0.00 -0.60 6.45 4.13 -1.10 -1.98 115.26 117.87 1sqb n ASN 255 Ca -0.02 0.43 0.13 0.00 1.68 0.00 0.00 54.58 56.80 1sqb n ASN 255 Cb 0.11 -0.46 0.41 0.00 -1.54 0.00 0.00 39.78 38.31 1sqb n ASN 255 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sqb n TYR 256 N -1.46 0.06 -5.13 3.10 4.02 -0.48 -4.43 117.16 112.85 1sqb n TYR 256 Ca 0.02 -0.03 -0.32 0.00 -0.01 0.00 0.00 57.90 57.56 1sqb n TYR 256 Cb 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.25 1sqb n TYR 256 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1sqb s THR 257 N -1.94 2.38 0.72 -0.72 -4.23 -0.84 -5.07 115.64 105.94 1sqb s THR 257 Ca 0.35 -0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 59.76 1sqb s THR 257 Cb 0.20 -1.90 -0.00 0.00 1.34 0.00 0.00 72.50 72.14 1sqb s THR 257 CO 0.32 0.57 0.91 -2.65 -0.54 0.00 0.00 174.62 173.22 1sqb n PRO 258 N 2.91 0.49 -1.76 3.99 -0.02 -1.26 -1.64 135.00 137.70 1sqb n PRO 258 Ca -0.17 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.11 1sqb n PRO 258 Cb 0.52 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1sqb n PRO 258 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqb n ALA 259 N -2.46 2.25 -3.48 3.55 0.00 -0.63 -4.34 120.51 115.39 1sqb n ALA 259 Ca 0.13 0.35 -0.26 0.00 0.00 0.00 0.00 53.44 53.66 1sqb n ALA 259 Cb 0.49 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 17.41 1sqb n ALA 259 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1sqb s ASN 260 N -0.09 2.86 0.28 0.00 3.84 -1.26 -4.98 114.94 115.58 1sqb s ASN 260 Ca 0.55 -1.43 0.21 0.00 0.21 0.00 0.00 52.86 52.39 1sqb s ASN 260 Cb -0.49 -0.12 1.03 0.00 -0.55 0.00 0.00 41.25 41.12 1sqb s ASN 260 CO 0.62 -0.38 1.63 -2.65 -2.79 0.00 0.00 177.10 173.53 1sqb n PRO 261 N 4.89 0.14 0.03 0.43 -0.02 -1.26 -2.06 135.00 137.16 1sqb n PRO 261 Ca 0.00 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 1sqb n PRO 261 Cb 0.42 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 1sqb n PRO 261 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sqb n LEU 262 N -2.19 0.49 -4.17 2.45 4.77 -1.26 -4.84 117.00 112.25 1sqb n LEU 262 Ca -0.00 0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.83 1sqb n LEU 262 Cb 0.09 0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1sqb n LEU 262 CO 0.12 0.03 -0.36 0.21 -1.33 0.00 0.00 177.39 176.06 1sqb s ASN 263 N -5.21 4.84 0.03 -1.43 2.47 -0.87 -5.11 114.94 109.67 1sqb s ASN 263 Ca -0.05 -1.25 -0.24 0.00 0.42 0.00 0.00 52.86 51.74 1sqb s ASN 263 Cb 0.10 -1.70 -0.05 0.00 -1.45 0.00 0.00 41.25 38.15 1sqb s ASN 263 CO 0.84 -0.25 0.75 -0.89 -3.72 0.00 0.00 177.10 173.82 1sqb s THR 264 N 1.25 4.77 0.80 -5.21 2.01 -1.26 -4.72 115.64 113.28 1sqb s THR 264 Ca -0.05 1.58 -0.11 0.00 0.31 0.00 0.00 61.69 63.42 1sqb s THR 264 Cb -0.20 -4.09 0.07 0.00 0.01 0.00 0.00 72.50 68.30 1sqb s THR 264 CO -0.01 0.36 1.11 -2.84 -0.69 0.00 0.00 174.62 172.55 1sqb s PRO 265 N -0.00 1.97 0.14 4.92 0.02 -1.26 -4.98 135.00 135.81 1sqb s PRO 265 Ca 0.38 1.30 -0.18 0.00 0.02 0.00 0.00 61.00 62.52 1sqb s PRO 265 Cb -0.20 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1sqb s PRO 265 CO 0.22 -1.87 1.76 -1.00 -0.33 0.00 0.00 177.00 175.78 1sqb h PRO 266 N -1.21 0.27 -6.34 5.54 0.13 -2.05 -3.42 132.00 124.92 1sqb h PRO 266 Ca -0.44 -0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 1sqb h PRO 266 Cb 1.24 -0.06 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1sqb h PRO 266 CO 0.49 0.18 -0.74 -3.38 -0.23 0.00 0.00 178.00 174.31 1sqb s HIS 267 N -6.17 2.77 -0.49 1.56 -3.43 -1.26 -5.09 115.29 103.18 1sqb s HIS 267 Ca -0.13 -0.11 0.04 0.00 -0.80 0.00 0.00 55.06 54.05 1sqb s HIS 267 Cb 0.10 -1.60 0.13 0.00 -1.43 0.00 0.00 32.58 29.78 1sqb s HIS 267 CO 0.70 0.28 0.23 0.42 -2.00 0.00 0.00 174.74 174.37 1sqb s ILE 268 N -0.86 2.45 -0.06 -5.38 1.09 -1.26 -5.07 121.20 112.11 1sqb s ILE 268 Ca 0.14 -3.13 0.05 0.00 -1.10 0.00 0.00 60.65 56.61 1sqb s ILE 268 Cb -0.11 -2.72 -0.00 0.00 -1.06 0.00 0.00 42.46 38.57 1sqb s ILE 268 CO 0.04 -0.78 -0.21 -1.59 -0.10 0.00 0.00 174.94 172.30 1sqb s LYS 269 N -0.08 2.27 1.04 2.79 -2.85 -1.26 -5.05 119.74 116.60 1sqb s LYS 269 Ca 0.16 -0.75 -0.12 0.00 -1.00 0.00 0.00 55.97 54.26 1sqb s LYS 269 Cb -0.25 -1.90 0.22 0.00 -2.06 0.00 0.00 37.83 33.84 1sqb s LYS 269 CO -0.01 0.27 1.07 -2.14 0.10 0.00 0.00 175.35 174.64 1sqb s PRO 270 N 0.05 0.04 0.69 1.78 0.02 -1.26 -4.98 135.00 131.33 1sqb s PRO 270 Ca -0.07 0.89 -0.16 0.00 0.02 0.00 0.00 61.00 61.68 1sqb s PRO 270 Cb -0.14 -1.66 0.02 0.00 0.02 0.00 0.00 34.50 32.74 1sqb s PRO 270 CO 0.04 -3.09 1.22 -1.21 -0.33 0.00 0.00 177.00 173.63 1sqb s GLU 271 N -4.67 2.39 0.43 5.54 0.41 -1.26 -4.83 118.70 116.71 1sqb s GLU 271 Ca 0.67 1.81 0.29 0.00 -0.41 0.00 0.00 54.97 57.33 1sqb s GLU 271 Cb -0.22 -1.86 1.41 0.00 -1.78 0.00 0.00 34.13 31.68 1sqb s GLU 271 CO 0.61 -1.66 1.62 0.11 -0.49 0.00 0.00 175.26 175.46 1sqb h TRP 272 N 0.08 0.54 0.00 1.61 5.08 -1.97 -1.63 115.95 119.67 1sqb h TRP 272 Ca -0.49 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.51 1sqb h TRP 272 Cb 1.30 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1sqb h TRP 272 CO 0.46 -0.21 0.00 2.48 -1.28 0.00 0.00 178.44 179.89 1sqb n TYR 273 N -4.72 0.24 0.31 0.12 0.18 -1.26 -2.11 117.16 109.92 1sqb n TYR 273 Ca 0.37 0.10 0.03 0.00 1.88 0.00 0.00 57.90 60.28 1sqb n TYR 273 Cb 1.41 -0.66 -0.02 0.00 -0.38 0.00 0.00 39.34 39.69 1sqb n TYR 273 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1sqb n PHE 274 N -1.72 0.00 -0.29 -3.48 3.01 -0.62 -4.78 117.46 109.59 1sqb n PHE 274 Ca 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.47 1sqb n PHE 274 Cb 0.16 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.74 1sqb n PHE 274 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1sqb h LEU 275 N 0.36 0.80 -0.72 4.37 3.38 -1.47 0.11 115.31 122.14 1sqb h LEU 275 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1sqb h LEU 275 Cb 0.19 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1sqb h LEU 275 CO 0.00 0.53 0.43 2.19 0.09 0.00 0.00 178.44 181.68 1sqb h PHE 276 N 0.94 0.79 0.04 1.13 -0.00 -1.76 -0.96 116.94 117.12 1sqb h PHE 276 Ca 0.33 0.02 -0.22 0.00 -0.00 0.00 0.00 57.97 58.10 1sqb h PHE 276 Cb 0.08 -0.25 -0.01 0.00 -0.00 0.00 0.00 35.95 35.77 1sqb h PHE 276 CO -0.04 0.41 -1.01 0.00 -0.00 0.00 0.00 178.31 177.66 1sqb h ALA 277 N 1.35 0.35 -0.65 12.09 0.00 -1.74 -2.82 119.26 127.84 1sqb h ALA 277 Ca 0.31 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1sqb h ALA 277 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1sqb h ALA 277 CO -0.16 1.02 0.20 -0.92 0.00 0.00 0.00 179.25 179.40 1sqb h TYR 278 N 0.07 1.02 0.03 0.00 3.20 -0.55 -2.76 116.97 117.98 1sqb h TYR 278 Ca -0.06 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 1sqb h TYR 278 Cb 1.71 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.68 1sqb h TYR 278 CO 0.03 0.82 -0.01 0.00 -1.64 0.00 0.00 178.16 177.35 1sqb h ALA 279 N 1.26 -0.04 -0.95 1.82 0.00 -1.08 -2.91 119.26 117.37 1sqb h ALA 279 Ca 0.21 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.22 1sqb h ALA 279 Cb 0.27 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 1sqb h ALA 279 CO -0.01 -0.46 0.55 0.82 0.00 0.00 0.00 179.25 180.15 1sqb h ILE 280 N -0.17 0.75 0.01 0.00 2.04 -1.43 -2.06 117.51 116.65 1sqb h ILE 280 Ca -0.00 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1sqb h ILE 280 Cb 0.15 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1sqb h ILE 280 CO 0.01 0.14 -0.00 0.25 0.00 0.00 0.00 178.15 178.54 1sqb h LEU 281 N 0.75 -0.01 -0.73 1.44 5.85 -1.30 -2.91 115.31 118.39 1sqb h LEU 281 Ca 0.52 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1sqb h LEU 281 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1sqb h LEU 281 CO -0.36 0.17 0.00 0.03 -0.34 0.00 0.00 178.44 177.95 1sqb h ARG 282 N -0.19 0.00 -0.24 1.25 3.08 -1.30 -3.24 114.38 113.74 1sqb h ARG 282 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1sqb h ARG 282 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1sqb h ARG 282 CO 0.00 0.00 -0.34 0.77 -1.07 0.00 0.00 179.97 179.34 1sqb h SER 283 N 0.00 0.52 -3.75 7.04 0.02 -1.17 -3.42 113.55 112.79 1sqb h SER 283 Ca 0.00 -0.21 -0.63 0.00 -0.84 0.00 0.00 61.79 60.11 1sqb h SER 283 Cb 0.61 -0.14 -0.16 0.00 0.14 0.00 0.00 62.40 62.85 1sqb h SER 283 CO 0.00 0.83 -0.47 -0.51 -1.14 0.00 0.00 176.83 175.54 1sqb s ILE 284 N -4.35 5.31 0.32 3.27 2.07 -1.22 -4.72 121.20 121.88 1sqb s ILE 284 Ca -0.07 0.25 0.15 0.00 -1.41 0.00 0.00 60.65 59.57 1sqb s ILE 284 Cb 0.13 -3.55 0.10 0.00 0.13 0.00 0.00 42.46 39.27 1sqb s ILE 284 CO 0.81 0.27 1.80 1.55 -1.91 0.00 0.00 174.94 177.45 1sqb h PRO 285 N 8.02 0.00 -6.97 3.50 0.13 -1.86 -3.43 132.00 131.38 1sqb h PRO 285 Ca -0.36 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.25 1sqb h PRO 285 Cb 1.18 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.39 1sqb h PRO 285 CO 0.60 0.39 0.56 1.21 -0.23 0.00 0.00 178.00 180.53 1sqb s ASN 286 N -6.75 6.16 0.01 1.44 3.84 -1.26 -4.99 114.94 113.39 1sqb s ASN 286 Ca -0.02 2.54 -0.26 0.00 0.21 0.00 0.00 52.86 55.32 1sqb s ASN 286 Cb 0.13 -2.63 -0.15 0.00 -0.55 0.00 0.00 41.25 38.06 1sqb s ASN 286 CO 0.71 -0.94 1.10 0.11 -2.79 0.00 0.00 177.10 175.29 1sqb h LYS 287 N 2.35 -0.88 -0.40 0.43 1.57 -1.98 -2.51 116.57 115.14 1sqb h LYS 287 Ca -0.50 0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.19 1sqb h LYS 287 Cb 1.25 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 1sqb h LYS 287 CO 0.61 -0.58 -0.35 1.25 -0.57 0.00 0.00 179.45 179.81 1sqb h LEU 288 N -1.22 1.01 -1.97 2.94 5.85 -1.92 -2.42 115.31 117.58 1sqb h LEU 288 Ca -0.09 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.18 1sqb h LEU 288 Cb 0.71 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sqb h LEU 288 CO 0.15 1.25 0.04 1.23 -0.34 0.00 0.00 178.44 180.77 1sqb h GLY 289 N 0.78 0.04 0.97 3.75 0.00 -1.95 -0.24 103.07 106.43 1sqb h GLY 289 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1sqb h GLY 289 CO 0.09 0.01 -0.47 -1.33 0.00 0.00 0.00 176.54 174.85 1sqb h GLY 290 N 0.04 -1.36 1.28 4.60 0.00 -0.96 -0.79 103.07 105.87 1sqb h GLY 290 Ca 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 1sqb h GLY 290 CO -0.00 -0.50 0.26 -2.08 0.00 0.00 0.00 176.54 174.22 1sqb h VAL 291 N -1.32 1.22 -0.02 4.60 2.07 -1.40 0.68 116.25 122.08 1sqb h VAL 291 Ca -0.13 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.60 1sqb h VAL 291 Cb 1.00 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1sqb h VAL 291 CO 0.22 0.28 -0.46 -0.07 0.02 0.00 0.00 177.57 177.55 1sqb h LEU 292 N 0.92 0.04 -0.17 2.57 3.38 -1.06 0.93 115.31 121.91 1sqb h LEU 292 Ca 0.22 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 1sqb h LEU 292 Cb 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1sqb h LEU 292 CO -0.02 0.50 -0.73 0.00 0.09 0.00 0.00 178.44 178.28 1sqb h ALA 293 N 1.50 0.59 -0.21 1.53 0.00 -0.70 -2.81 119.26 119.16 1sqb h ALA 293 Ca -0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 54.05 1sqb h ALA 293 Cb 0.83 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1sqb h ALA 293 CO 0.06 0.91 -0.62 1.25 0.00 0.00 0.00 179.25 180.86 1sqb h LEU 294 N 0.00 0.90 -0.25 0.00 5.85 -0.30 -0.99 115.31 120.52 1sqb h LEU 294 Ca -0.01 -0.58 -0.10 0.00 0.84 0.00 0.00 57.88 58.03 1sqb h LEU 294 Cb 1.48 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1sqb h LEU 294 CO 0.10 1.33 -0.23 0.00 -0.34 0.00 0.00 178.44 179.29 1sqb h ALA 295 N 0.60 0.37 0.00 1.25 0.00 -0.95 -3.14 119.26 117.38 1sqb h ALA 295 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1sqb h ALA 295 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1sqb h ALA 295 CO 0.13 0.33 0.00 0.35 0.00 0.00 0.00 179.25 180.06 1sqb h PHE 296 N 0.31 0.00 -0.27 0.00 3.57 -1.44 -1.41 116.94 117.71 1sqb h PHE 296 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1sqb h PHE 296 Cb 0.78 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1sqb h PHE 296 CO 0.07 0.00 0.13 1.03 -2.23 0.00 0.00 178.31 177.31 1sqb h SER 297 N 0.00 0.32 0.00 0.41 0.87 -1.12 -2.54 113.55 111.49 1sqb h SER 297 Ca 0.00 -0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 60.30 1sqb h SER 297 Cb 0.18 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1sqb h SER 297 CO 0.00 0.28 -1.81 -0.38 -0.53 0.00 0.00 176.83 174.39 1sqb n ILE 298 N -4.45 0.80 0.30 2.23 2.08 -0.84 -4.62 119.36 114.88 1sqb n ILE 298 Ca 0.01 -0.24 0.12 0.00 0.56 0.00 0.00 62.75 63.21 1sqb n ILE 298 Cb 0.11 -1.48 0.65 0.00 -0.75 0.00 0.00 39.64 38.17 1sqb n ILE 298 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1sqb h LEU 299 N -0.37 0.00 -1.52 1.39 3.38 -1.38 -1.53 115.31 115.27 1sqb h LEU 299 Ca -0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1sqb h LEU 299 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1sqb h LEU 299 CO -0.17 0.00 0.23 -0.29 0.09 0.00 0.00 178.44 178.30 1sqb h ILE 300 N 0.00 1.12 -0.43 1.22 2.10 -1.69 -2.87 117.51 116.97 1sqb h ILE 300 Ca 0.00 -0.30 0.08 0.00 1.08 0.00 0.00 64.86 65.72 1sqb h ILE 300 Cb 0.79 0.57 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 1sqb h ILE 300 CO 0.00 0.13 0.30 -0.07 -1.08 0.00 0.00 178.15 177.43 1sqb h LEU 301 N 0.56 0.20 -1.83 2.19 3.38 -1.58 0.33 115.31 118.56 1sqb h LEU 301 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1sqb h LEU 301 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1sqb h LEU 301 CO -0.03 0.12 -0.11 0.00 0.09 0.00 0.00 178.44 178.51 1sqb h ALA 302 N 1.78 1.19 0.00 1.53 0.00 -1.71 -2.90 119.26 119.14 1sqb h ALA 302 Ca 0.20 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 1sqb h ALA 302 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1sqb h ALA 302 CO -0.04 0.14 -1.24 -0.07 0.00 0.00 0.00 179.25 178.04 1sqb h LEU 303 N 0.00 0.00 -0.97 0.00 3.38 -0.47 -3.41 115.31 113.84 1sqb h LEU 303 Ca -0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1sqb h LEU 303 Cb 0.39 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.96 1sqb h LEU 303 CO 0.01 0.96 0.07 0.40 0.09 0.00 0.00 178.44 179.98 1sqb h ILE 304 N 0.00 0.06 -0.67 1.22 2.04 -1.27 0.24 117.51 119.13 1sqb h ILE 304 Ca -0.11 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1sqb h ILE 304 Cb 1.83 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1sqb h ILE 304 CO 0.11 0.01 0.44 -0.65 0.00 0.00 0.00 178.15 178.05 1sqb h PRO 305 N 0.03 0.63 0.00 2.37 0.11 -1.78 -1.99 132.00 131.36 1sqb h PRO 305 Ca 0.60 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1sqb h PRO 305 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sqb h PRO 305 CO -0.88 0.42 0.00 1.28 -0.21 0.00 0.00 178.00 178.61 1sqb n LEU 306 N -4.48 0.13 -1.12 2.35 4.77 0.83 -2.99 117.00 116.49 1sqb n LEU 306 Ca 0.10 0.51 0.08 0.00 -0.03 0.00 0.00 56.01 56.67 1sqb n LEU 306 Cb 0.25 -0.47 0.27 0.00 -2.33 0.00 0.00 43.42 41.14 1sqb n LEU 306 CO 0.34 -0.04 0.73 0.18 -1.33 0.00 0.00 177.39 177.27 1sqb n LEU 307 N -1.62 3.97 -4.70 2.23 4.77 -0.77 -4.93 117.00 115.95 1sqb n LEU 307 Ca 0.07 -2.43 -0.42 0.00 -0.03 0.00 0.00 56.01 53.20 1sqb n LEU 307 Cb 0.34 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1sqb n LEU 307 CO 0.27 0.76 0.68 -2.28 -1.33 0.00 0.00 177.39 175.49 1sqb s HIS 308 N -1.79 3.56 0.00 -1.77 2.46 -1.08 -4.41 115.29 112.25 1sqb s HIS 308 Ca 0.40 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.47 1sqb s HIS 308 Cb 0.27 -3.09 0.00 0.00 -0.13 0.00 0.00 32.58 29.62 1sqb s HIS 308 CO 0.18 -0.12 0.00 -2.37 -2.47 0.00 0.00 174.74 169.97 1sqb n THR 309 N 4.27 0.00 -2.23 0.89 5.66 -1.26 -5.08 114.28 116.54 1sqb n THR 309 Ca 0.06 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.69 1sqb n THR 309 Cb 0.50 0.25 -0.01 0.00 -1.55 0.00 0.00 70.33 69.52 1sqb n THR 309 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1sqb s SER 310 N -1.32 6.10 0.44 1.09 0.15 -1.26 -4.62 113.70 114.27 1sqb s SER 310 Ca 0.00 2.33 0.24 0.00 0.70 0.00 0.00 55.95 59.22 1sqb s SER 310 Cb 0.00 -2.60 0.76 0.00 -1.71 0.00 0.00 66.02 62.47 1sqb s SER 310 CO 0.00 -0.97 1.76 0.50 1.20 0.00 0.00 173.24 175.73 1sqb h LYS 311 N 1.98 0.00 -6.05 5.44 1.63 -1.96 -3.44 116.57 114.17 1sqb h LYS 311 Ca -0.49 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.75 1sqb h LYS 311 Cb 1.25 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 1sqb h LYS 311 CO 0.60 0.18 -0.48 -0.65 -3.45 0.00 0.00 179.45 175.65 1sqb s GLN 312 N -3.46 3.37 -0.09 1.90 -0.21 -1.26 -5.07 119.66 114.85 1sqb s GLN 312 Ca 0.02 -0.61 -0.08 0.00 0.02 0.00 0.00 55.36 54.71 1sqb s GLN 312 Cb 0.08 -2.94 -0.07 0.00 1.00 0.00 0.00 33.01 31.09 1sqb s GLN 312 CO 0.64 0.53 0.28 -0.09 -2.12 0.00 0.00 175.29 174.53 1sqb h ARG 313 N 2.29 -0.09 -7.13 2.91 2.43 -1.86 -3.48 114.38 109.45 1sqb h ARG 313 Ca -0.48 0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 58.22 1sqb h ARG 313 Cb 1.19 0.02 0.05 0.00 -0.42 0.00 0.00 29.97 30.82 1sqb h ARG 313 CO 0.69 0.13 0.20 0.45 -1.51 0.00 0.00 179.97 179.92 1sqb s SER 314 N -5.56 5.72 0.00 -3.80 0.15 -1.25 -4.01 113.70 104.95 1sqb s SER 314 Ca -0.05 0.82 0.28 0.00 0.70 0.00 0.00 55.95 57.70 1sqb s SER 314 Cb -0.00 -1.85 1.04 0.00 -1.71 0.00 0.00 66.02 63.50 1sqb s SER 314 CO 0.18 -0.99 1.75 0.23 1.20 0.00 0.00 173.24 175.60 1sqb n MET 315 N -2.57 0.78 -0.33 5.44 2.81 -0.74 -4.38 117.12 118.13 1sqb n MET 315 Ca 0.04 -0.36 0.19 0.00 -1.81 0.00 0.00 57.70 55.76 1sqb n MET 315 Cb 0.57 -1.49 0.40 0.00 -0.71 0.00 0.00 33.22 31.98 1sqb n MET 315 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1sqb h MET 316 N 0.88 0.43 -0.42 0.03 -1.53 -1.84 0.29 114.93 112.76 1sqb h MET 316 Ca 0.00 -0.03 -0.16 0.00 -3.44 0.00 0.00 59.70 56.07 1sqb h MET 316 Cb 0.42 -0.10 -0.10 0.00 -0.55 0.00 0.00 31.60 31.28 1sqb h MET 316 CO 0.00 0.28 0.05 1.19 0.14 0.00 0.00 176.91 178.57 1sqb n PHE 317 N -4.99 1.36 -3.71 1.39 3.72 -1.26 -4.87 117.46 109.10 1sqb n PHE 317 Ca 0.27 -1.36 -0.28 0.00 -0.05 0.00 0.00 57.45 56.03 1sqb n PHE 317 Cb 0.81 -0.50 -0.12 0.00 -0.94 0.00 0.00 39.48 38.73 1sqb n PHE 317 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1sqb s ARG 318 N -3.10 1.67 0.15 -1.08 0.52 0.10 -5.01 118.95 112.21 1sqb s ARG 318 Ca 0.46 -2.58 -0.13 0.00 -0.52 0.00 0.00 55.73 52.95 1sqb s ARG 318 Cb 0.40 -2.56 0.03 0.00 0.52 0.00 0.00 34.95 33.34 1sqb s ARG 318 CO 0.05 -1.27 1.67 -1.35 0.02 0.00 0.00 175.30 174.42 1sqb h PRO 319 N 5.92 0.78 -0.42 3.54 0.11 -1.90 -0.22 132.00 139.81 1sqb h PRO 319 Ca 0.12 -0.18 0.07 0.00 0.11 0.00 0.00 66.00 66.12 1sqb h PRO 319 Cb 0.85 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.80 1sqb h PRO 319 CO 0.55 0.74 0.08 1.25 -0.21 0.00 0.00 178.00 180.42 1sqb h LEU 320 N 0.68 0.00 -1.00 2.35 7.12 -1.94 -2.50 115.31 120.01 1sqb h LEU 320 Ca 0.16 0.07 -0.10 0.00 0.13 0.00 0.00 57.88 58.14 1sqb h LEU 320 Cb 0.30 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 1sqb h LEU 320 CO -0.00 0.04 -0.44 0.28 -0.13 0.00 0.00 178.44 178.19 1sqb h SER 321 N 0.21 0.14 -0.72 1.25 0.02 -1.85 -2.74 113.55 109.86 1sqb h SER 321 Ca 0.21 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1sqb h SER 321 Cb 0.26 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1sqb h SER 321 CO -0.27 0.56 0.31 1.56 -1.14 0.00 0.00 176.83 177.85 1sqb h GLN 322 N 0.11 1.08 -0.10 3.45 4.20 -0.75 0.16 115.11 123.25 1sqb h GLN 322 Ca 0.01 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 1sqb h GLN 322 Cb 0.82 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1sqb h GLN 322 CO 0.06 0.86 -0.38 0.00 -0.67 0.00 0.00 178.83 178.71 1sqb h LEU 324 N 0.01 0.00 0.35 0.00 3.38 -1.41 -0.17 115.31 117.47 1sqb h LEU 324 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1sqb h LEU 324 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sqb h LEU 324 CO 0.08 0.21 -0.17 0.15 0.09 0.00 0.00 178.44 178.80 1sqb h PHE 325 N 0.00 -0.44 -0.15 1.13 3.57 -0.62 -2.82 116.94 117.61 1sqb h PHE 325 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1sqb h PHE 325 Cb 0.55 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1sqb h PHE 325 CO 0.00 -0.11 0.03 -1.49 -2.23 0.00 0.00 178.31 174.51 1sqb h TRP 326 N -0.85 0.20 -0.79 0.41 4.06 -1.01 0.74 115.95 118.71 1sqb h TRP 326 Ca -0.05 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 60.99 1sqb h TRP 326 Cb 0.53 -0.06 -0.07 0.00 -1.00 0.00 0.00 29.16 28.56 1sqb h TRP 326 CO 0.02 0.19 0.44 0.00 -3.56 0.00 0.00 178.44 175.53 1sqb h ALA 327 N 1.84 1.11 -0.63 1.49 0.00 -1.11 0.97 119.26 122.93 1sqb h ALA 327 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1sqb h ALA 327 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1sqb h ALA 327 CO -0.00 0.08 0.28 1.25 0.00 0.00 0.00 179.25 180.85 1sqb h LEU 328 N 0.76 0.85 -0.14 0.00 5.85 -0.60 0.27 115.31 122.30 1sqb h LEU 328 Ca 0.38 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1sqb h LEU 328 Cb 0.33 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1sqb h LEU 328 CO -0.24 0.77 -0.01 0.58 -0.34 0.00 0.00 178.44 179.20 1sqb h VAL 329 N 0.88 1.27 -0.80 1.05 2.07 -0.91 -0.32 116.25 119.49 1sqb h VAL 329 Ca 0.21 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1sqb h VAL 329 Cb 0.17 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1sqb h VAL 329 CO -0.02 0.26 0.37 0.00 0.02 0.00 0.00 177.57 178.20 1sqb h ALA 330 N 0.74 1.15 -0.44 1.67 0.00 -0.74 -0.62 119.26 121.02 1sqb h ALA 330 Ca 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1sqb h ALA 330 Cb 0.40 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sqb h ALA 330 CO 0.01 0.64 -0.06 0.22 0.00 0.00 0.00 179.25 180.06 1sqb h ASP 331 N 1.14 0.73 0.20 0.00 3.58 -0.27 0.15 116.42 121.96 1sqb h ASP 331 Ca 0.27 -0.20 -0.14 0.00 0.42 0.00 0.00 57.03 57.39 1sqb h ASP 331 Cb 0.13 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1sqb h ASP 331 CO -0.03 0.84 -0.51 -0.07 -2.88 0.00 0.00 179.24 176.58 1sqb h LEU 332 N 0.69 0.39 -0.93 2.28 3.38 -0.73 -1.16 115.31 119.23 1sqb h LEU 332 Ca 0.13 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1sqb h LEU 332 Cb 0.51 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1sqb h LEU 332 CO 0.03 0.83 -0.46 0.25 0.09 0.00 0.00 178.44 179.17 1sqb h LEU 333 N 0.28 0.17 -0.04 1.67 5.85 -0.57 0.12 115.31 122.78 1sqb h LEU 333 Ca 0.01 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1sqb h LEU 333 Cb 1.00 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1sqb h LEU 333 CO 0.09 0.61 0.00 0.74 -0.34 0.00 0.00 178.44 179.54 1sqb h THR 334 N 0.13 1.23 -0.44 1.05 2.02 -0.55 -1.88 112.91 114.48 1sqb h THR 334 Ca 0.01 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1sqb h THR 334 Cb 0.87 1.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1sqb h THR 334 CO 0.07 0.19 0.25 -0.07 0.37 0.00 0.00 175.52 176.33 1sqb h LEU 335 N -0.21 0.52 0.04 2.58 3.38 -1.04 -0.47 115.31 120.11 1sqb h LEU 335 Ca 0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sqb h LEU 335 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1sqb h LEU 335 CO 0.00 0.41 -0.02 0.74 0.09 0.00 0.00 178.44 179.66 1sqb h THR 336 N 0.60 1.05 -0.13 0.22 2.02 -0.70 -0.94 112.91 115.03 1sqb h THR 336 Ca 0.16 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1sqb h THR 336 Cb -0.01 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1sqb h THR 336 CO -0.03 0.07 -0.01 -0.25 0.37 0.00 0.00 175.52 175.67 1sqb h TRP 337 N -0.16 -0.02 -0.48 3.16 7.01 -0.68 -2.73 115.95 122.04 1sqb h TRP 337 Ca -0.00 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1sqb h TRP 337 Cb 0.15 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 1sqb h TRP 337 CO -0.04 -0.03 0.14 0.82 -2.79 0.00 0.00 178.44 176.54 1sqb h ILE 338 N 0.03 1.20 -0.84 2.65 1.08 -1.06 -2.62 117.51 117.96 1sqb h ILE 338 Ca 0.06 -0.70 0.07 0.00 -0.39 0.00 0.00 64.86 63.90 1sqb h ILE 338 Cb 0.08 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 1sqb h ILE 338 CO -0.11 0.26 0.51 1.23 -0.69 0.00 0.00 178.15 179.35 1sqb h GLY 339 N 0.89 1.27 -1.06 5.37 0.00 -0.85 -2.17 103.07 106.52 1sqb h GLY 339 Ca 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1sqb h GLY 339 CO -0.01 0.23 0.00 0.61 0.00 0.00 0.00 176.54 177.37 1sqb n GLY 340 N -1.32 0.48 3.48 4.60 0.00 -0.99 -4.81 105.19 106.62 1sqb n GLY 340 Ca 0.12 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1sqb n GLY 340 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sqb s GLN 341 N -1.66 1.77 1.05 1.61 -1.52 -0.82 -5.07 119.66 115.03 1sqb s GLN 341 Ca 0.16 -1.18 -0.11 0.00 -1.95 0.00 0.00 55.36 52.28 1sqb s GLN 341 Cb 0.09 -2.10 0.22 0.00 -0.22 0.00 0.00 33.01 31.01 1sqb s GLN 341 CO 0.10 0.48 1.08 -0.35 -0.25 0.00 0.00 175.29 176.35 1sqb n PRO 342 N 0.86 -1.50 -0.15 2.91 -0.04 -1.26 -4.95 135.00 130.87 1sqb n PRO 342 Ca -0.16 -0.39 0.02 0.00 -0.04 0.00 0.00 63.50 62.93 1sqb n PRO 342 Cb 0.53 -2.27 0.08 0.00 -0.04 0.00 0.00 33.50 31.80 1sqb n PRO 342 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1sqb n VAL 343 N -4.64 0.45 -1.51 0.52 3.14 -1.26 -4.78 118.33 110.25 1sqb n VAL 343 Ca 0.07 -0.27 -0.25 0.00 -2.96 0.00 0.00 64.34 60.93 1sqb n VAL 343 Cb 0.53 -0.21 0.19 0.00 -1.06 0.00 0.00 33.84 33.29 1sqb n VAL 343 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1sqb n GLU 344 N 0.07 -1.70 -0.00 1.45 1.02 -1.26 -4.34 120.64 115.88 1sqb n GLU 344 Ca 0.06 -1.67 -0.00 0.00 -0.02 0.00 0.00 57.16 55.53 1sqb n GLU 344 Cb 0.33 -1.25 -0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1sqb n GLU 344 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1sqb n HIS 345 N -3.90 -0.01 0.15 -0.32 -0.00 -1.26 -2.10 115.22 107.79 1sqb n HIS 345 Ca 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 1sqb n HIS 345 Cb 0.50 -0.26 0.22 0.00 -0.00 0.00 0.00 29.99 30.45 1sqb n HIS 345 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1sqb h PRO 346 N 0.00 0.00 -0.05 1.57 0.13 -1.97 -3.33 132.00 128.35 1sqb h PRO 346 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 1sqb h PRO 346 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1sqb h PRO 346 CO -0.01 0.55 -0.72 1.88 -0.23 0.00 0.00 178.00 179.47 1sqb h TYR 347 N 0.00 0.38 -0.23 1.56 0.05 -1.74 -2.31 116.97 114.69 1sqb h TYR 347 Ca -0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 58.73 58.60 1sqb h TYR 347 Cb 1.00 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.67 1sqb h TYR 347 CO 0.00 0.90 0.11 -0.84 -1.05 0.00 0.00 178.16 177.28 1sqb h ILE 348 N 0.19 1.14 0.53 -2.88 3.07 -1.61 -0.79 117.51 117.16 1sqb h ILE 348 Ca -0.02 -0.42 -0.03 0.00 1.55 0.00 0.00 64.86 65.94 1sqb h ILE 348 Cb 1.28 1.00 0.01 0.00 -0.27 0.00 0.00 36.82 38.83 1sqb h ILE 348 CO 0.11 0.14 -0.25 0.74 -1.05 0.00 0.00 178.15 177.84 1sqb h THR 349 N 0.23 0.11 0.00 0.16 2.02 -1.69 -2.27 112.91 111.47 1sqb h THR 349 Ca 0.08 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1sqb h THR 349 Cb 0.13 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1sqb h THR 349 CO -0.01 0.02 -0.17 0.16 0.37 0.00 0.00 175.52 175.89 1sqb h ILE 350 N -1.14 0.71 0.52 3.11 -0.00 -1.53 0.43 117.51 119.60 1sqb h ILE 350 Ca -0.07 -0.71 -0.03 0.00 -0.00 0.00 0.00 64.86 64.05 1sqb h ILE 350 Cb 0.58 1.44 0.01 0.00 -0.00 0.00 0.00 36.82 38.85 1sqb h ILE 350 CO 0.12 0.17 -0.25 1.23 -0.00 0.00 0.00 178.15 179.41 1sqb h GLY 351 N 1.00 -0.74 2.00 0.16 0.00 -1.16 -1.00 103.07 103.34 1sqb h GLY 351 Ca -0.00 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1sqb h GLY 351 CO 0.02 -0.27 -0.11 0.06 0.00 0.00 0.00 176.54 176.24 1sqb h GLN 352 N -0.78 0.00 -0.16 4.80 3.07 -0.90 -1.76 115.11 119.38 1sqb h GLN 352 Ca -0.07 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.63 1sqb h GLN 352 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 1sqb h GLN 352 CO 0.12 0.11 -0.06 1.25 0.09 0.00 0.00 178.83 180.34 1sqb h LEU 353 N 0.00 0.32 -0.94 0.06 5.85 -0.85 -1.32 115.31 118.44 1sqb h LEU 353 Ca -0.00 -0.40 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1sqb h LEU 353 Cb 0.55 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1sqb h LEU 353 CO 0.01 0.65 0.05 0.00 -0.34 0.00 0.00 178.44 178.81 1sqb h ALA 354 N 0.69 1.12 0.16 1.25 0.00 -0.98 -2.31 119.26 119.19 1sqb h ALA 354 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1sqb h ALA 354 Cb 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1sqb h ALA 354 CO 0.02 0.57 -0.08 0.77 0.00 0.00 0.00 179.25 180.53 1sqb h SER 355 N 0.78 -0.18 -0.36 0.00 0.02 -1.24 -0.74 113.55 111.83 1sqb h SER 355 Ca 0.16 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1sqb h SER 355 Cb 0.40 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1sqb h SER 355 CO 0.01 -0.04 0.13 1.62 -1.14 0.00 0.00 176.83 177.42 1sqb h VAL 356 N -0.31 1.18 -0.47 2.27 3.04 -1.27 -3.01 116.25 117.68 1sqb h VAL 356 Ca -0.02 -0.60 -0.04 0.00 -1.01 0.00 0.00 66.70 65.04 1sqb h VAL 356 Cb 0.24 0.71 -0.02 0.00 -2.01 0.00 0.00 31.29 30.22 1sqb h VAL 356 CO 0.04 0.22 0.16 0.25 -1.01 0.00 0.00 177.57 177.22 1sqb h LEU 357 N 0.61 0.67 -0.39 3.16 5.85 -1.09 -0.76 115.31 123.36 1sqb h LEU 357 Ca 0.14 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1sqb h LEU 357 Cb 0.18 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1sqb h LEU 357 CO -0.01 0.69 -0.11 0.22 -0.34 0.00 0.00 178.44 178.89 1sqb h TYR 358 N 0.62 -0.24 -0.14 1.25 3.20 -1.00 0.36 116.97 121.02 1sqb h TYR 358 Ca 0.15 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.87 1sqb h TYR 358 Cb 0.25 0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1sqb h TYR 358 CO 0.01 -0.18 -0.68 0.74 -1.64 0.00 0.00 178.16 176.41 1sqb h PHE 359 N -0.02 0.76 -0.52 -3.82 0.04 -1.52 -2.67 116.94 109.20 1sqb h PHE 359 Ca 0.19 -0.31 -0.09 0.00 2.80 0.00 0.00 57.97 60.55 1sqb h PHE 359 Cb 0.30 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1sqb h PHE 359 CO -0.36 1.09 -0.05 1.25 -0.60 0.00 0.00 178.31 179.65 1sqb h LEU 360 N 0.41 0.90 -0.71 1.54 5.85 -0.73 -0.43 115.31 122.15 1sqb h LEU 360 Ca -0.02 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 1sqb h LEU 360 Cb 1.26 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1sqb h LEU 360 CO 0.13 0.99 0.03 0.25 -0.34 0.00 0.00 178.44 179.50 1sqb h LEU 361 N 0.84 0.99 0.07 2.25 5.85 -0.22 0.19 115.31 125.29 1sqb h LEU 361 Ca 0.15 -0.26 -0.16 0.00 0.84 0.00 0.00 57.88 58.45 1sqb h LEU 361 Cb 0.56 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1sqb h LEU 361 CO 0.03 1.03 -0.79 0.40 -0.34 0.00 0.00 178.44 178.77 1sqb h ILE 362 N 0.94 1.39 0.03 4.05 2.04 -1.43 -1.60 117.51 122.94 1sqb h ILE 362 Ca 0.18 -2.40 -0.22 0.00 1.00 0.00 0.00 64.86 63.42 1sqb h ILE 362 Cb 0.51 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.58 1sqb h ILE 362 CO 0.02 0.63 -0.98 0.25 0.00 0.00 0.00 178.15 178.07 1sqb h LEU 363 N -0.63 0.23 0.00 1.44 5.85 -1.13 -3.41 115.31 117.66 1sqb h LEU 363 Ca -0.17 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1sqb h LEU 363 Cb 1.44 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.40 1sqb h LEU 363 CO 0.03 1.08 -0.76 0.52 -0.34 0.00 0.00 178.44 178.97 1sqb n VAL 364 N -3.56 0.00 0.06 1.05 0.31 -0.35 -4.79 118.33 111.04 1sqb n VAL 364 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.17 1sqb n VAL 364 Cb 0.88 -1.16 -0.09 0.00 -0.91 0.00 0.00 33.84 32.57 1sqb n VAL 364 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1sqb h LEU 365 N 0.00 -0.17 -0.70 7.52 4.07 -0.78 -2.70 115.31 122.55 1sqb h LEU 365 Ca 0.00 -0.36 -0.08 0.00 0.08 0.00 0.00 57.88 57.52 1sqb h LEU 365 Cb 0.76 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.52 1sqb h LEU 365 CO 0.00 0.32 0.08 0.24 -1.08 0.00 0.00 178.44 178.00 1sqb h MET 366 N -0.71 1.08 0.00 1.13 2.86 -1.53 -2.18 114.93 115.58 1sqb h MET 366 Ca -0.02 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1sqb h MET 366 Cb 0.51 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1sqb h MET 366 CO 0.03 1.00 0.00 -1.35 1.06 0.00 0.00 176.91 177.65 1sqb h PRO 367 N 1.00 0.00 0.16 -0.22 0.11 -1.77 -2.77 132.00 128.51 1sqb h PRO 367 Ca 0.19 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.04 1sqb h PRO 367 Cb 0.46 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.59 1sqb h PRO 367 CO 0.02 0.00 -1.23 1.15 -0.21 0.00 0.00 178.00 177.72 1sqb h THR 368 N 0.00 1.25 -0.91 -1.15 2.02 -1.12 -3.30 112.91 109.71 1sqb h THR 368 Ca 0.00 -2.52 0.03 0.00 0.77 0.00 0.00 66.41 64.69 1sqb h THR 368 Cb 0.25 2.97 -0.05 0.00 -1.74 0.00 0.00 68.15 69.58 1sqb h THR 368 CO 0.00 0.74 0.59 0.00 0.37 0.00 0.00 175.52 177.22 1sqb h ALA 369 N 0.05 1.19 -0.78 6.16 0.00 -1.32 -1.51 119.26 123.06 1sqb h ALA 369 Ca -0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1sqb h ALA 369 Cb 1.83 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1sqb h ALA 369 CO 0.15 0.46 0.43 0.78 0.00 0.00 0.00 179.25 181.06 1sqb h GLY 370 N 1.15 1.16 0.79 0.00 0.00 -1.66 -0.04 103.07 104.48 1sqb h GLY 370 Ca 0.36 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1sqb h GLY 370 CO -0.11 0.50 -0.01 -0.84 0.00 0.00 0.00 176.54 176.08 1sqb h THR 371 N 1.09 1.26 -0.61 4.70 2.02 -1.42 -2.62 112.91 117.33 1sqb h THR 371 Ca 0.28 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1sqb h THR 371 Cb 0.03 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1sqb h THR 371 CO -0.04 0.26 0.39 0.40 0.37 0.00 0.00 175.52 176.90 1sqb h ILE 372 N 0.04 1.17 -0.56 3.11 2.04 -0.95 -2.33 117.51 120.03 1sqb h ILE 372 Ca 0.05 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.60 1sqb h ILE 372 Cb 0.39 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1sqb h ILE 372 CO 0.01 0.16 0.37 -0.33 0.00 0.00 0.00 178.15 178.36 1sqb h GLU 373 N 0.83 0.66 -0.20 2.37 5.08 -1.03 -0.60 114.58 121.69 1sqb h GLU 373 Ca 0.22 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1sqb h GLU 373 Cb -0.07 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1sqb h GLU 373 CO -0.05 0.44 0.06 -0.91 -1.00 0.00 0.00 179.01 177.56 1sqb h ASN 374 N 0.68 0.30 -0.57 1.42 2.35 -1.12 -2.94 115.58 115.70 1sqb h ASN 374 Ca 0.22 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1sqb h ASN 374 Cb 0.03 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1sqb h ASN 374 CO -0.05 0.42 0.37 0.11 -1.65 0.00 0.00 177.43 176.62 1sqb h LYS 375 N 0.15 0.77 0.00 0.81 1.79 -0.64 -0.46 116.57 118.99 1sqb h LYS 375 Ca 0.07 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1sqb h LYS 375 Cb 0.23 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 1sqb h LYS 375 CO -0.00 0.52 -0.43 -0.07 -1.08 0.00 0.00 179.45 178.39 1sqb h LEU 376 N 0.79 0.00 -1.45 2.94 3.38 -1.14 -1.95 115.31 117.87 1sqb h LEU 376 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1sqb h LEU 376 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1sqb h LEU 376 CO -0.04 0.43 0.00 0.18 0.09 0.00 0.00 178.44 179.10 1sqb n LEU 377 N -3.82 2.18 -3.45 1.67 4.77 -0.74 -4.97 117.00 112.63 1sqb n LEU 377 Ca -0.01 -0.90 -0.18 0.00 -0.03 0.00 0.00 56.01 54.89 1sqb n LEU 377 Cb 0.49 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1sqb n LEU 377 CO 0.39 0.45 0.05 0.29 -1.33 0.00 0.00 177.39 177.24 1sqb n LYS 378 N 0.67 -5.11 0.00 3.23 5.02 -0.73 -5.10 118.16 116.14 1sqb n LYS 378 Ca 0.17 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 1sqb n LYS 378 Cb 0.42 -5.66 0.00 0.00 -0.02 0.00 0.00 35.03 29.77 1sqb n LYS 378 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75