#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf2 s SER 3 N 0.00 2.98 0.26 0.53 1.04 -1.26 -4.39 113.70 112.85 1sf2 s SER 3 Ca 0.00 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 1sf2 s SER 3 Cb 0.00 -0.19 0.40 0.00 0.10 0.00 0.00 66.02 66.34 1sf2 s SER 3 CO 0.00 0.11 1.85 0.78 0.98 0.00 0.00 173.24 176.96 1sf2 h ASN 4 N 3.83 0.87 -0.10 7.02 2.35 -1.94 -2.43 115.58 125.18 1sf2 h ASN 4 Ca -0.48 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1sf2 h ASN 4 Cb 1.18 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1sf2 h ASN 4 CO 0.41 0.53 0.06 0.50 -1.65 0.00 0.00 177.43 177.28 1sf2 h LYS 5 N 0.99 0.12 -0.47 0.81 1.63 -1.96 -0.68 116.57 117.01 1sf2 h LYS 5 Ca 0.42 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 60.14 1sf2 h LYS 5 Cb 0.27 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 1sf2 h LYS 5 CO -0.20 0.08 0.01 0.93 -3.45 0.00 0.00 179.45 176.82 1sf2 h GLU 6 N 0.13 0.77 -0.50 1.90 5.08 -1.92 -1.78 114.58 118.26 1sf2 h GLU 6 Ca 0.04 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1sf2 h GLU 6 Cb -0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1sf2 h GLU 6 CO -0.02 0.77 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.57 1sf2 h LEU 7 N 0.72 0.93 -1.03 1.33 3.38 -1.18 -0.92 115.31 118.54 1sf2 h LEU 7 Ca 0.14 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 1sf2 h LEU 7 Cb 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1sf2 h LEU 7 CO 0.02 1.06 -0.03 0.24 0.09 0.00 0.00 178.44 179.81 1sf2 h MET 8 N 0.83 0.66 -0.48 1.13 2.86 -0.82 0.21 114.93 119.32 1sf2 h MET 8 Ca 0.13 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1sf2 h MET 8 Cb 0.66 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1sf2 h MET 8 CO 0.05 0.70 -0.07 1.96 1.06 0.00 0.00 176.91 180.60 1sf2 h GLN 9 N 0.62 0.90 -0.73 1.72 4.20 -0.91 -1.03 115.11 119.88 1sf2 h GLN 9 Ca 0.12 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.44 1sf2 h GLN 9 Cb 0.43 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1sf2 h GLN 9 CO 0.02 0.97 0.21 0.00 -0.67 0.00 0.00 178.83 179.36 1sf2 h ARG 10 N 0.75 1.15 -0.65 1.46 3.08 -0.65 -2.66 114.38 116.86 1sf2 h ARG 10 Ca 0.13 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1sf2 h ARG 10 Cb 0.62 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 1sf2 h ARG 10 CO 0.04 0.99 0.37 -0.09 -1.07 0.00 0.00 179.97 180.21 1sf2 h ARG 11 N 1.10 0.68 0.00 0.04 2.43 -0.15 -1.75 114.38 116.73 1sf2 h ARG 11 Ca 0.23 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1sf2 h ARG 11 Cb 0.33 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1sf2 h ARG 11 CO -0.00 0.45 -0.01 0.66 -1.51 0.00 0.00 179.97 179.56 1sf2 h SER 12 N 0.70 0.00 0.03 -3.80 4.64 -0.84 0.23 113.55 114.52 1sf2 h SER 12 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1sf2 h SER 12 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1sf2 h SER 12 CO -0.16 0.01 -1.46 0.00 -0.87 0.00 0.00 176.83 174.35 1sf2 n GLN 13 N -3.36 0.33 -0.03 4.77 1.13 -0.70 -4.62 117.38 114.89 1sf2 n GLN 13 Ca -0.03 -0.09 -0.03 0.00 -1.94 0.00 0.00 57.00 54.92 1sf2 n GLN 13 Cb 0.10 -1.52 -0.05 0.00 0.11 0.00 0.00 30.24 28.88 1sf2 n GLN 13 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sf2 n ALA 14 N -1.88 1.88 -2.47 -1.58 0.00 -0.92 -5.03 120.51 110.51 1sf2 n ALA 14 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 53.44 52.71 1sf2 n ALA 14 Cb 0.45 0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 1sf2 n ALA 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sf2 s ILE 15 N -2.20 2.89 0.50 0.00 1.01 0.02 -5.09 121.20 118.34 1sf2 s ILE 15 Ca -0.03 -1.04 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 1sf2 s ILE 15 Cb 0.02 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 40.24 1sf2 s ILE 15 CO 0.28 0.41 1.25 -2.16 0.00 0.00 0.00 174.94 174.72 1sf2 s PRO 16 N -1.23 3.46 0.56 2.79 0.04 -1.26 -4.64 135.00 134.72 1sf2 s PRO 16 Ca 0.14 1.97 0.36 0.00 0.04 0.00 0.00 61.00 63.50 1sf2 s PRO 16 Cb -0.11 -2.32 1.60 0.00 0.04 0.00 0.00 34.50 33.71 1sf2 s PRO 16 CO 0.04 -0.85 2.06 0.07 0.04 0.00 0.00 177.00 178.36 1sf2 h ARG 17 N 1.74 0.00 -0.09 4.56 0.11 -1.93 -2.43 114.38 116.33 1sf2 h ARG 17 Ca -0.50 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.61 1sf2 h ARG 17 Cb 1.27 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 1sf2 h ARG 17 CO 0.59 0.00 0.10 0.78 0.10 0.00 0.00 179.97 181.53 1sf2 h GLY 18 N 1.55 0.00 -7.18 0.08 0.00 -2.04 -3.33 103.07 92.14 1sf2 h GLY 18 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1sf2 h GLY 18 CO 0.00 0.00 0.44 0.14 0.00 0.00 0.00 176.54 177.12 1sf2 s VAL 19 N -4.68 4.47 0.86 4.60 1.01 -0.92 -5.02 120.40 120.72 1sf2 s VAL 19 Ca -0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1sf2 s VAL 19 Cb 0.15 -4.55 0.11 0.00 0.00 0.00 0.00 36.38 32.09 1sf2 s VAL 19 CO 0.56 -1.19 1.09 -0.83 0.00 0.00 0.00 175.10 174.74 1sf2 s GLY 20 N 3.16 1.62 -0.31 4.51 0.00 -1.25 -4.94 107.32 110.11 1sf2 s GLY 20 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.86 1sf2 s GLY 20 CO 0.14 0.37 0.09 1.62 0.00 0.00 0.00 173.10 175.32 1sf2 s GLN 21 N -5.00 0.81 0.16 2.90 2.00 -1.26 -5.00 119.66 114.27 1sf2 s GLN 21 Ca 0.62 -1.12 -0.16 0.00 -2.00 0.00 0.00 55.36 52.70 1sf2 s GLN 21 Cb -0.17 -2.13 0.06 0.00 0.80 0.00 0.00 33.01 31.56 1sf2 s GLN 21 CO 0.56 -0.96 1.79 0.82 -0.50 0.00 0.00 175.29 177.00 1sf2 h ILE 22 N 6.51 1.00 -3.27 -2.34 1.08 -2.00 -3.40 117.51 115.08 1sf2 h ILE 22 Ca -0.13 -0.15 -0.59 0.00 -0.39 0.00 0.00 64.86 63.61 1sf2 h ILE 22 Cb 1.02 0.53 -0.35 0.00 -3.07 0.00 0.00 36.82 34.96 1sf2 h ILE 22 CO 0.47 0.08 -0.84 -1.00 -0.69 0.00 0.00 178.15 176.17 1sf2 s HIS 23 N -6.15 1.98 0.00 1.37 3.76 -1.26 -5.03 115.29 109.96 1sf2 s HIS 23 Ca -0.13 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 53.80 1sf2 s HIS 23 Cb 0.12 -1.43 -0.24 0.00 1.11 0.00 0.00 32.58 32.14 1sf2 s HIS 23 CO 0.72 -0.48 3.30 -0.35 -0.85 0.00 0.00 174.74 177.08 1sf2 n PRO 24 N 4.19 1.79 -5.13 8.40 -0.04 -1.26 -4.82 135.00 138.13 1sf2 n PRO 24 Ca -0.19 -0.89 -0.29 0.00 -0.04 0.00 0.00 63.50 62.09 1sf2 n PRO 24 Cb 0.51 -1.93 -0.16 0.00 -0.04 0.00 0.00 33.50 31.88 1sf2 n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sf2 s ILE 25 N 1.17 1.81 -0.31 0.52 1.01 -1.26 -4.73 121.20 119.41 1sf2 s ILE 25 Ca 0.59 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 1sf2 s ILE 25 Cb 0.28 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 41.25 1sf2 s ILE 25 CO 0.00 0.51 0.13 -0.36 0.00 0.00 0.00 174.94 175.22 1sf2 s PHE 26 N -0.43 3.18 0.19 3.97 0.40 -1.26 -5.08 117.98 118.95 1sf2 s PHE 26 Ca 0.06 -0.81 -0.30 0.00 -0.60 0.00 0.00 56.93 55.27 1sf2 s PHE 26 Cb -0.10 -2.32 -0.08 0.00 0.51 0.00 0.00 43.02 41.03 1sf2 s PHE 26 CO 0.00 -0.54 1.07 0.00 0.70 0.00 0.00 175.22 176.46 1sf2 s ALA 27 N 1.55 3.36 -0.24 5.36 0.00 -1.26 -1.57 121.76 128.97 1sf2 s ALA 27 Ca 0.03 0.79 -0.07 0.00 0.00 0.00 0.00 51.96 52.71 1sf2 s ALA 27 Cb -0.17 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.50 1sf2 s ALA 27 CO 0.05 -0.15 -0.27 -3.47 0.00 0.00 0.00 175.76 171.92 1sf2 n ASP 28 N 2.18 1.90 -3.90 0.00 2.03 0.83 -4.78 116.55 114.80 1sf2 n ASP 28 Ca 0.02 0.14 -0.09 0.00 0.52 0.00 0.00 54.79 55.38 1sf2 n ASP 28 Cb 0.46 -0.58 -0.05 0.00 -0.72 0.00 0.00 41.12 40.24 1sf2 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sf2 s ARG 29 N -2.44 1.44 0.20 -0.67 1.70 -1.15 -5.04 118.95 112.99 1sf2 s ARG 29 Ca -0.32 -1.10 -0.20 0.00 -0.47 0.00 0.00 55.73 53.64 1sf2 s ARG 29 Cb 0.11 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 35.01 1sf2 s ARG 29 CO 0.46 -0.60 0.59 0.00 -1.08 0.00 0.00 175.30 174.67 1sf2 s ALA 30 N -3.96 -1.21 -0.26 7.88 0.00 -1.26 -1.33 121.76 121.62 1sf2 s ALA 30 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 1sf2 s ALA 30 Cb -0.00 0.86 0.14 0.00 0.00 0.00 0.00 23.12 24.11 1sf2 s ALA 30 CO 0.03 -0.84 0.50 -2.00 0.00 0.00 0.00 175.76 173.45 1sf2 s GLU 31 N -3.84 0.45 4.36 0.00 2.12 0.50 -4.80 118.70 117.48 1sf2 s GLU 31 Ca 0.07 0.95 0.00 0.00 0.36 0.00 0.00 54.97 56.35 1sf2 s GLU 31 Cb -0.02 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1sf2 s GLU 31 CO -0.04 -0.47 0.00 -1.71 -0.54 0.00 0.00 175.26 172.50 1sf2 n ASN 32 N 5.40 0.00 -0.87 -1.70 4.05 -0.20 -0.61 115.26 121.33 1sf2 n ASN 32 Ca -0.06 0.00 0.08 0.00 0.45 0.00 0.00 54.58 55.06 1sf2 n ASN 32 Cb 0.50 0.00 0.19 0.00 1.23 0.00 0.00 39.78 41.70 1sf2 n ASN 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sf2 s ARG 34 N -1.09 3.11 -0.02 0.00 0.52 0.22 -1.28 118.95 120.40 1sf2 s ARG 34 Ca 0.30 -0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 1sf2 s ARG 34 Cb 0.17 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1sf2 s ARG 34 CO 0.23 0.72 -0.06 0.08 0.02 0.00 0.00 175.30 176.29 1sf2 s VAL 35 N -0.94 0.50 -0.10 3.52 1.01 -0.54 -0.37 120.40 123.48 1sf2 s VAL 35 Ca 0.14 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1sf2 s VAL 35 Cb -0.12 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1sf2 s VAL 35 CO 0.03 0.16 -0.20 0.26 0.00 0.00 0.00 175.10 175.36 1sf2 s TRP 36 N 0.15 2.65 0.82 5.22 0.51 -0.44 0.96 118.94 128.81 1sf2 s TRP 36 Ca -0.02 -0.83 -0.07 0.00 -2.12 0.00 0.00 56.10 53.07 1sf2 s TRP 36 Cb -0.06 -1.75 0.16 0.00 -0.81 0.00 0.00 33.47 31.01 1sf2 s TRP 36 CO -0.00 -0.30 1.13 0.16 -0.51 0.00 0.00 176.95 177.43 1sf2 s ASP 37 N 0.25 3.86 0.40 2.95 1.47 -0.37 -0.12 116.67 125.11 1sf2 s ASP 37 Ca -0.13 -0.11 0.27 0.00 1.18 0.00 0.00 52.55 53.76 1sf2 s ASP 37 Cb -0.17 -0.14 1.46 0.00 -0.34 0.00 0.00 42.92 43.74 1sf2 s ASP 37 CO 0.07 -2.21 1.84 -0.37 0.68 0.00 0.00 175.17 175.17 1sf2 h VAL 38 N -0.98 0.00 -0.48 2.11 -1.51 -1.59 0.12 116.25 113.92 1sf2 h VAL 38 Ca -0.40 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1sf2 h VAL 38 Cb 1.25 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1sf2 h VAL 38 CO 0.39 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.11 1sf2 n GLU 39 N -2.46 2.30 -0.96 5.19 1.02 -1.26 -4.87 120.64 119.60 1sf2 n GLU 39 Ca -0.02 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.12 1sf2 n GLU 39 Cb 0.06 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 1sf2 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sf2 n GLY 40 N 1.41 0.77 3.78 0.62 0.00 0.43 -5.01 105.19 107.19 1sf2 n GLY 40 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1sf2 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sf2 s ARG 41 N -0.13 3.87 -0.04 1.61 3.52 -1.26 -4.76 118.95 121.77 1sf2 s ARG 41 Ca 0.00 1.54 0.01 0.00 -0.13 0.00 0.00 55.73 57.15 1sf2 s ARG 41 Cb 0.00 -2.32 -0.03 0.00 -1.56 0.00 0.00 34.95 31.04 1sf2 s ARG 41 CO 0.00 -0.40 -0.03 -2.00 -0.81 0.00 0.00 175.30 172.05 1sf2 s GLU 42 N -2.84 2.77 0.15 5.12 2.12 -1.26 -1.24 118.70 123.52 1sf2 s GLU 42 Ca 0.64 -0.56 0.06 0.00 0.36 0.00 0.00 54.97 55.46 1sf2 s GLU 42 Cb -0.22 -2.64 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1sf2 s GLU 42 CO 0.27 0.65 -0.12 0.71 -0.54 0.00 0.00 175.26 176.23 1sf2 s TYR 43 N -0.93 1.39 -0.27 5.30 1.51 0.27 -4.80 117.35 119.81 1sf2 s TYR 43 Ca 0.15 -0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 55.47 1sf2 s TYR 43 Cb -0.11 -0.70 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 1sf2 s TYR 43 CO 0.05 0.15 0.12 -1.17 -1.11 0.00 0.00 175.55 173.59 1sf2 s LEU 44 N -2.94 3.76 -0.62 -1.29 2.96 0.81 -1.46 118.68 119.91 1sf2 s LEU 44 Ca 0.15 -0.26 -0.23 0.00 -0.22 0.00 0.00 54.13 53.57 1sf2 s LEU 44 Cb -0.01 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.75 1sf2 s LEU 44 CO 0.03 -0.08 0.97 -0.62 -1.32 0.00 0.00 176.35 175.32 1sf2 s ASP 45 N 1.65 6.24 0.00 3.68 2.15 -0.41 -1.25 116.67 128.73 1sf2 s ASP 45 Ca 0.06 -0.70 0.21 0.00 0.43 0.00 0.00 52.55 52.55 1sf2 s ASP 45 Cb -0.16 -2.43 0.61 0.00 -0.30 0.00 0.00 42.92 40.64 1sf2 s ASP 45 CO 0.06 -1.37 1.51 0.49 -0.17 0.00 0.00 175.17 175.69 1sf2 n PHE 46 N 7.68 0.92 -0.03 -5.34 3.01 -0.44 -4.22 117.46 119.05 1sf2 n PHE 46 Ca -0.01 -0.50 0.01 0.00 1.01 0.00 0.00 57.45 57.96 1sf2 n PHE 46 Cb 0.46 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.84 1sf2 n PHE 46 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1sf2 n ALA 47 N 1.54 2.14 -4.11 4.37 0.00 -1.16 -0.14 120.51 123.14 1sf2 n ALA 47 Ca 0.23 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.85 1sf2 n ALA 47 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.79 1sf2 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 48 N 2.00 -0.36 2.40 0.00 0.00 -1.23 -0.07 105.19 107.93 1sf2 n GLY 48 Ca -0.10 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1sf2 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sf2 n GLY 49 N -1.66 0.56 2.08 -0.02 0.00 -1.26 -1.32 105.19 103.56 1sf2 n GLY 49 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1sf2 n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sf2 n ILE 50 N -3.05 -3.98 -1.67 -0.61 5.41 0.90 -4.12 119.36 112.24 1sf2 n ILE 50 Ca -0.20 -0.31 -0.16 0.00 1.00 0.00 0.00 62.75 63.09 1sf2 n ILE 50 Cb 0.63 -4.42 -0.05 0.00 -0.71 0.00 0.00 39.64 35.09 1sf2 n ILE 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sf2 n ALA 51 N -1.75 -0.29 0.01 -1.39 0.00 -1.06 -4.88 120.51 111.15 1sf2 n ALA 51 Ca -0.01 0.22 0.08 0.00 0.00 0.00 0.00 53.44 53.72 1sf2 n ALA 51 Cb 0.52 -1.69 -0.12 0.00 0.00 0.00 0.00 19.45 18.17 1sf2 n ALA 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sf2 n VAL 52 N -2.93 0.44 -2.60 0.00 0.31 -0.44 -2.78 118.33 110.33 1sf2 n VAL 52 Ca -0.16 -0.57 -0.32 0.00 -0.01 0.00 0.00 64.34 63.27 1sf2 n VAL 52 Cb 0.54 -0.22 -0.00 0.00 -0.91 0.00 0.00 33.84 33.25 1sf2 n VAL 52 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sf2 n LEU 53 N -2.49 5.73 0.27 7.52 4.77 -0.93 -3.34 117.00 128.53 1sf2 n LEU 53 Ca -0.07 -5.38 0.13 0.00 -0.03 0.00 0.00 56.01 50.66 1sf2 n LEU 53 Cb 0.66 -0.77 0.76 0.00 -2.33 0.00 0.00 43.42 41.74 1sf2 n LEU 53 CO 0.44 2.16 1.00 0.78 -1.33 0.00 0.00 177.39 180.44 1sf2 h ASN 54 N 3.20 0.00 -0.62 -1.43 2.35 -1.86 0.82 115.58 118.03 1sf2 h ASN 54 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1sf2 h ASN 54 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1sf2 h ASN 54 CO 1.01 0.10 0.00 0.35 -1.65 0.00 0.00 177.43 177.24 1sf2 n THR 55 N -3.71 2.18 -0.36 2.81 -2.24 -1.26 -0.47 114.28 111.24 1sf2 n THR 55 Ca -0.02 -1.29 0.04 0.00 -2.27 0.00 0.00 64.05 60.52 1sf2 n THR 55 Cb 0.21 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1sf2 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sf2 n GLY 56 N 0.93 -2.30 3.71 3.38 0.00 0.28 -4.35 105.19 106.84 1sf2 n GLY 56 Ca 0.27 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1sf2 n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sf2 s HIS 57 N -2.58 3.01 -1.24 1.61 3.76 0.01 -3.85 115.29 116.01 1sf2 s HIS 57 Ca 0.00 0.78 -0.24 0.00 -0.15 0.00 0.00 55.06 55.45 1sf2 s HIS 57 Cb 0.00 -3.76 0.02 0.00 1.11 0.00 0.00 32.58 29.95 1sf2 s HIS 57 CO 0.00 -2.78 0.63 1.28 -0.85 0.00 0.00 174.74 173.02 1sf2 n LEU 58 N 4.49 -1.35 -4.68 0.89 4.77 -1.26 -1.04 117.00 118.82 1sf2 n LEU 58 Ca 0.13 -1.18 -0.43 0.00 -0.03 0.00 0.00 56.01 54.50 1sf2 n LEU 58 Cb 0.42 -1.93 -0.03 0.00 -2.33 0.00 0.00 43.42 39.55 1sf2 n LEU 58 CO 0.60 0.64 1.50 1.57 -1.33 0.00 0.00 177.39 180.36 1sf2 n HIS 59 N -4.67 2.57 -0.29 -1.77 -0.00 -1.25 -4.77 115.22 105.03 1sf2 n HIS 59 Ca -0.15 -0.18 0.12 0.00 0.46 0.00 0.00 57.72 57.97 1sf2 n HIS 59 Cb 0.60 -2.74 0.28 0.00 -0.12 0.00 0.00 29.99 28.01 1sf2 n HIS 59 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1sf2 h PRO 60 N 9.02 0.24 -0.53 1.57 0.13 -1.93 0.18 132.00 140.68 1sf2 h PRO 60 Ca -0.47 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1sf2 h PRO 60 Cb 1.23 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1sf2 h PRO 60 CO 0.94 0.16 0.08 0.87 -0.23 0.00 0.00 178.00 179.82 1sf2 h LYS 61 N 0.25 0.84 -0.06 0.86 1.79 -1.99 0.78 116.57 119.05 1sf2 h LYS 61 Ca 0.54 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.79 1sf2 h LYS 61 Cb 1.07 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1sf2 h LYS 61 CO -0.62 0.79 -0.04 0.28 -1.08 0.00 0.00 179.45 178.79 1sf2 h VAL 62 N 0.80 1.34 -0.56 0.50 2.07 -1.30 -2.77 116.25 116.34 1sf2 h VAL 62 Ca 0.17 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1sf2 h VAL 62 Cb 0.37 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1sf2 h VAL 62 CO 0.01 0.30 0.31 0.58 0.02 0.00 0.00 177.57 178.79 1sf2 h VAL 63 N -0.28 0.99 -1.01 2.57 2.07 -0.56 0.29 116.25 120.32 1sf2 h VAL 63 Ca 0.01 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1sf2 h VAL 63 Cb 0.50 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1sf2 h VAL 63 CO 0.01 0.11 0.65 0.00 0.02 0.00 0.00 177.57 178.36 1sf2 h ALA 64 N 1.28 1.38 -0.21 1.67 0.00 -0.82 0.20 119.26 122.76 1sf2 h ALA 64 Ca 0.24 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1sf2 h ALA 64 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sf2 h ALA 64 CO -0.14 0.48 -0.01 0.00 0.00 0.00 0.00 179.25 179.58 1sf2 h ALA 65 N 1.44 0.28 -0.48 0.00 0.00 -1.06 -0.71 119.26 118.73 1sf2 h ALA 65 Ca 0.43 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1sf2 h ALA 65 Cb 0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1sf2 h ALA 65 CO -0.16 0.02 0.25 0.28 0.00 0.00 0.00 179.25 179.63 1sf2 h VAL 66 N 0.13 0.97 -0.92 0.00 2.07 -0.21 -1.74 116.25 116.55 1sf2 h VAL 66 Ca 0.06 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1sf2 h VAL 66 Cb 0.42 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1sf2 h VAL 66 CO 0.01 0.09 0.61 -0.33 0.02 0.00 0.00 177.57 177.97 1sf2 h GLU 67 N 0.49 1.19 -0.68 1.57 5.08 -0.39 0.05 114.58 121.88 1sf2 h GLU 67 Ca 0.21 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1sf2 h GLU 67 Cb 0.10 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1sf2 h GLU 67 CO -0.14 0.79 0.17 0.00 -1.00 0.00 0.00 179.01 178.83 1sf2 h ALA 68 N 1.35 0.90 -0.12 3.43 0.00 -0.56 -2.79 119.26 121.47 1sf2 h ALA 68 Ca 0.35 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1sf2 h ALA 68 Cb -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1sf2 h ALA 68 CO -0.09 0.62 -0.57 0.37 0.00 0.00 0.00 179.25 179.58 1sf2 h GLN 69 N 1.02 0.37 0.00 0.00 5.75 -0.90 -2.96 115.11 118.40 1sf2 h GLN 69 Ca 0.22 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1sf2 h GLN 69 Cb 0.36 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1sf2 h GLN 69 CO 0.00 0.84 0.03 1.25 -2.65 0.00 0.00 178.83 178.29 1sf2 h LEU 70 N 0.28 0.00 0.00 -2.39 5.85 -0.71 0.17 115.31 118.51 1sf2 h LEU 70 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sf2 h LEU 70 Cb 1.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1sf2 h LEU 70 CO 0.10 0.00 -0.73 0.11 -0.34 0.00 0.00 178.44 177.58 1sf2 h LYS 71 N 0.00 0.00 0.00 1.25 1.57 -1.47 -3.40 116.57 114.52 1sf2 h LYS 71 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1sf2 h LYS 71 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1sf2 h LYS 71 CO 0.00 0.00 -0.72 1.63 -0.57 0.00 0.00 179.45 179.79 1sf2 n LYS 72 N -2.54 0.48 -3.61 3.15 5.02 0.51 -5.09 118.16 116.08 1sf2 n LYS 72 Ca 0.02 0.40 -0.05 0.00 -2.02 0.00 0.00 58.31 56.66 1sf2 n LYS 72 Cb 0.51 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1sf2 n LYS 72 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1sf2 s LEU 73 N -8.09 -0.14 -0.02 -0.35 0.05 -0.67 -5.07 118.68 104.39 1sf2 s LEU 73 Ca -0.21 0.09 0.06 0.00 0.05 0.00 0.00 54.13 54.12 1sf2 s LEU 73 Cb 0.03 1.36 -0.09 0.00 -2.05 0.00 0.00 46.19 45.43 1sf2 s LEU 73 CO 0.31 -0.18 0.12 -1.54 -0.55 0.00 0.00 176.35 174.51 1sf2 n SER 74 N 0.27 3.54 -3.64 1.48 3.41 -1.26 -4.57 113.62 112.85 1sf2 n SER 74 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.51 1sf2 n SER 74 Cb 0.58 1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 65.64 1sf2 n SER 74 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1sf2 s HIS 75 N -2.39 -0.63 0.00 7.33 2.46 -1.26 -3.98 115.29 116.82 1sf2 s HIS 75 Ca -0.02 1.43 0.00 0.00 0.47 0.00 0.00 55.06 56.94 1sf2 s HIS 75 Cb 0.04 0.37 0.00 0.00 -0.13 0.00 0.00 32.58 32.86 1sf2 s HIS 75 CO 0.26 -0.31 0.00 0.25 -2.47 0.00 0.00 174.74 172.47 1sf2 n THR 76 N 2.86 0.00 -1.58 0.89 -2.24 -1.26 -5.10 114.28 107.85 1sf2 n THR 76 Ca -0.15 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.62 1sf2 n THR 76 Cb 0.56 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1sf2 n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sf2 h PHE 78 N 0.73 -0.22 0.00 0.00 3.57 -1.80 0.41 116.94 119.63 1sf2 h PHE 78 Ca -0.08 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sf2 h PHE 78 Cb 0.17 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1sf2 h PHE 78 CO 0.00 -0.31 0.00 0.00 -2.23 0.00 0.00 178.31 175.77 1sf2 n GLN 79 N -5.44 0.03 -0.11 1.11 10.64 -1.26 -2.95 117.38 119.39 1sf2 n GLN 79 Ca 0.13 0.45 -0.17 0.00 -1.83 0.00 0.00 57.00 55.58 1sf2 n GLN 79 Cb 0.47 -1.57 -0.06 0.00 -0.86 0.00 0.00 30.24 28.22 1sf2 n GLN 79 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1sf2 n VAL 80 N -1.62 1.50 -3.72 -0.39 0.31 0.07 -4.95 118.33 109.53 1sf2 n VAL 80 Ca 0.01 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 64.05 1sf2 n VAL 80 Cb 0.06 -2.15 -0.18 0.00 -0.91 0.00 0.00 33.84 30.66 1sf2 n VAL 80 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1sf2 s LEU 81 N -7.73 0.41 0.88 7.52 2.96 -0.82 -5.10 118.68 116.80 1sf2 s LEU 81 Ca -0.32 -0.05 -0.13 0.00 -0.22 0.00 0.00 54.13 53.41 1sf2 s LEU 81 Cb 0.08 -0.31 0.15 0.00 0.50 0.00 0.00 46.19 46.61 1sf2 s LEU 81 CO 0.45 -0.23 1.23 0.00 -1.32 0.00 0.00 176.35 176.48 1sf2 s ALA 82 N 2.06 2.55 -0.05 5.97 0.00 -1.15 -3.86 121.76 127.28 1sf2 s ALA 82 Ca 0.05 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 1sf2 s ALA 82 Cb -0.12 -2.73 0.05 0.00 0.00 0.00 0.00 23.12 20.32 1sf2 s ALA 82 CO -0.04 -2.06 0.56 1.52 0.00 0.00 0.00 175.76 175.73 1sf2 s TYR 83 N -3.69 -0.51 0.19 0.00 -0.85 -1.26 -5.01 117.35 106.23 1sf2 s TYR 83 Ca 0.69 0.88 -0.11 0.00 -0.52 0.00 0.00 57.07 58.01 1sf2 s TYR 83 Cb -0.06 0.30 0.17 0.00 0.38 0.00 0.00 41.96 42.75 1sf2 s TYR 83 CO 0.50 -0.52 1.81 0.93 -1.52 0.00 0.00 175.55 176.76 1sf2 h GLU 84 N 3.40 0.65 -0.93 -3.49 5.08 -2.00 -3.08 114.58 114.20 1sf2 h GLU 84 Ca -0.28 -0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.25 1sf2 h GLU 84 Cb 1.15 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.18 1sf2 h GLU 84 CO 0.38 0.43 0.61 -1.35 -1.00 0.00 0.00 179.01 178.08 1sf2 h PRO 85 N 0.67 0.45 0.38 2.33 0.11 -1.97 0.26 132.00 134.22 1sf2 h PRO 85 Ca 0.26 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 1sf2 h PRO 85 Cb 0.10 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1sf2 h PRO 85 CO -0.14 0.30 -0.18 -0.92 -0.21 0.00 0.00 178.00 176.84 1sf2 h TYR 86 N 0.46 -0.48 -0.19 0.65 -0.00 -1.85 -2.54 116.97 113.02 1sf2 h TYR 86 Ca 0.50 -0.01 0.04 0.00 -0.00 0.00 0.00 58.73 59.26 1sf2 h TYR 86 Cb 1.16 0.16 -0.05 0.00 -0.00 0.00 0.00 36.73 38.00 1sf2 h TYR 86 CO -0.00 -0.16 -0.10 1.25 -0.00 0.00 0.00 178.16 179.16 1sf2 h LEU 87 N -0.83 -0.32 -0.92 2.82 5.85 -1.30 -2.24 115.31 118.37 1sf2 h LEU 87 Ca -0.05 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1sf2 h LEU 87 Cb 0.54 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1sf2 h LEU 87 CO 0.09 -0.13 0.59 -0.08 -0.34 0.00 0.00 178.44 178.57 1sf2 h GLU 88 N -0.08 1.07 -0.62 1.25 4.81 -0.60 -1.64 114.58 118.78 1sf2 h GLU 88 Ca 0.11 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 1sf2 h GLU 88 Cb 0.23 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1sf2 h GLU 88 CO -0.24 0.71 0.00 1.25 -0.73 0.00 0.00 179.01 180.00 1sf2 h LEU 89 N 1.10 1.07 -0.36 1.64 5.85 -1.15 -1.14 115.31 122.32 1sf2 h LEU 89 Ca 0.39 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1sf2 h LEU 89 Cb 0.10 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1sf2 h LEU 89 CO -0.15 1.11 0.20 0.00 -0.34 0.00 0.00 178.44 179.26 1sf2 h GLU 91 N 0.47 0.53 -0.53 0.00 5.08 -0.98 0.38 114.58 119.53 1sf2 h GLU 91 Ca 0.13 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1sf2 h GLU 91 Cb 0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1sf2 h GLU 91 CO -0.02 0.35 0.02 0.82 -1.00 0.00 0.00 179.01 179.18 1sf2 h ILE 92 N 0.55 1.26 -0.34 3.13 2.04 -0.77 -2.87 117.51 120.51 1sf2 h ILE 92 Ca 0.26 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 1sf2 h ILE 92 Cb 0.18 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1sf2 h ILE 92 CO -0.18 0.38 -0.07 0.24 0.00 0.00 0.00 178.15 178.52 1sf2 h MET 93 N 0.80 0.56 -0.40 2.37 2.86 -0.20 0.08 114.93 120.99 1sf2 h MET 93 Ca 0.15 -0.15 0.06 0.00 -2.06 0.00 0.00 59.70 57.71 1sf2 h MET 93 Cb 0.50 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1sf2 h MET 93 CO 0.02 0.63 0.27 -0.91 1.06 0.00 0.00 176.91 177.99 1sf2 h ASN 94 N 0.52 0.24 0.17 1.22 -0.26 -0.72 -0.08 115.58 116.67 1sf2 h ASN 94 Ca 0.10 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.51 1sf2 h ASN 94 Cb 0.44 -0.05 0.01 0.00 -1.06 0.00 0.00 38.32 37.65 1sf2 h ASN 94 CO 0.02 0.16 -1.64 1.56 -1.06 0.00 0.00 177.43 176.47 1sf2 h GLN 95 N 0.27 0.36 -0.16 0.81 1.08 -1.20 -3.40 115.11 112.88 1sf2 h GLN 95 Ca 0.18 -0.61 -0.19 0.00 -1.45 0.00 0.00 58.65 56.58 1sf2 h GLN 95 Cb 0.36 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1sf2 h GLN 95 CO -0.04 1.29 -0.67 0.87 -0.95 0.00 0.00 178.83 179.34 1sf2 h LYS 96 N -0.01 0.64 -6.63 1.46 1.79 -0.62 -3.45 116.57 109.75 1sf2 h LYS 96 Ca -0.33 -0.47 -0.53 0.00 -2.18 0.00 0.00 60.65 57.15 1sf2 h LYS 96 Cb 2.00 0.08 0.03 0.00 -1.58 0.00 0.00 32.23 32.77 1sf2 h LYS 96 CO 0.15 1.09 0.72 0.08 -1.08 0.00 0.00 179.45 180.40 1sf2 s VAL 97 N -3.84 3.11 0.32 0.50 1.01 -0.08 -4.88 120.40 116.54 1sf2 s VAL 97 Ca -0.08 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.47 1sf2 s VAL 97 Cb 0.10 -3.55 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 1sf2 s VAL 97 CO 0.87 0.10 1.34 -0.81 0.00 0.00 0.00 175.10 176.60 1sf2 n PRO 98 N 3.23 2.17 0.00 2.72 -0.04 -1.26 -4.90 135.00 136.93 1sf2 n PRO 98 Ca 0.09 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1sf2 n PRO 98 Cb 0.42 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1sf2 n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sf2 n GLY 99 N 1.09 2.44 2.64 0.55 0.00 -1.26 -4.55 105.19 106.09 1sf2 n GLY 99 Ca 0.06 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1sf2 n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sf2 n ASP 100 N 0.00 5.37 -3.56 1.61 2.03 -1.26 -4.78 116.55 115.97 1sf2 n ASP 100 Ca 0.00 -2.58 -0.06 0.00 0.52 0.00 0.00 54.79 52.66 1sf2 n ASP 100 Cb 0.00 -1.36 -0.02 0.00 -0.72 0.00 0.00 41.12 39.02 1sf2 n ASP 100 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1sf2 s PHE 101 N 3.30 -0.26 0.34 -0.67 -0.12 -1.26 -5.15 117.98 114.16 1sf2 s PHE 101 Ca 0.54 0.12 -0.28 0.00 -0.05 0.00 0.00 56.93 57.25 1sf2 s PHE 101 Cb 0.14 0.55 -0.12 0.00 -0.63 0.00 0.00 43.02 42.96 1sf2 s PHE 101 CO -0.03 -0.50 1.38 0.00 -0.05 0.00 0.00 175.22 176.03 1sf2 n ALA 102 N -0.25 1.69 -2.13 1.99 0.00 -1.26 -4.94 120.51 115.60 1sf2 n ALA 102 Ca -0.07 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.65 1sf2 n ALA 102 Cb 0.61 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 1sf2 n ALA 102 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1sf2 s LYS 103 N -1.73 0.77 0.08 0.00 1.02 -1.26 -1.85 119.74 116.77 1sf2 s LYS 103 Ca 0.56 -1.32 0.04 0.00 0.02 0.00 0.00 55.97 55.27 1sf2 s LYS 103 Cb -0.54 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.82 1sf2 s LYS 103 CO 0.61 -0.12 -0.11 0.15 -0.92 0.00 0.00 175.35 174.96 1sf2 s LYS 104 N -3.93 0.80 0.05 1.68 1.02 -0.21 -4.70 119.74 114.45 1sf2 s LYS 104 Ca 0.13 -1.06 0.06 0.00 0.02 0.00 0.00 55.97 55.12 1sf2 s LYS 104 Cb 0.07 -0.58 -0.02 0.00 -0.52 0.00 0.00 37.83 36.78 1sf2 s LYS 104 CO -0.05 0.10 -0.16 0.99 -0.92 0.00 0.00 175.35 175.31 1sf2 s THR 105 N -2.01 1.28 -0.04 2.17 2.01 -1.26 -1.33 115.64 116.45 1sf2 s THR 105 Ca 0.02 -1.09 0.06 0.00 0.31 0.00 0.00 61.69 60.98 1sf2 s THR 105 Cb -0.06 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1sf2 s THR 105 CO 0.01 0.04 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.54 1sf2 s LEU 106 N -1.22 2.01 -0.12 4.42 2.96 0.12 -4.95 118.68 121.89 1sf2 s LEU 106 Ca 0.03 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1sf2 s LEU 106 Cb -0.08 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.42 1sf2 s LEU 106 CO 0.02 0.22 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.43 1sf2 s LEU 107 N -0.21 3.07 0.00 -0.68 1.43 -1.26 -0.40 118.68 120.64 1sf2 s LEU 107 Ca 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1sf2 s LEU 107 Cb -0.11 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1sf2 s LEU 107 CO 0.02 0.23 0.00 1.33 0.23 0.00 0.00 176.35 178.15 1sf2 n VAL 108 N 3.13 0.00 -0.02 -1.59 0.24 0.44 -3.98 118.33 116.55 1sf2 n VAL 108 Ca -0.18 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.10 1sf2 n VAL 108 Cb 0.53 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.88 1sf2 n VAL 108 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1sf2 n THR 109 N 0.00 0.22 -4.40 3.34 -1.04 -1.26 -2.14 114.28 109.00 1sf2 n THR 109 Ca 0.00 -0.09 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 1sf2 n THR 109 Cb 0.00 -0.66 -0.11 0.00 -1.82 0.00 0.00 70.33 67.74 1sf2 n THR 109 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1sf2 s THR 110 N -2.08 2.16 0.39 12.58 -4.23 -1.26 -2.66 115.64 120.54 1sf2 s THR 110 Ca -0.05 -2.07 0.12 0.00 -1.18 0.00 0.00 61.69 58.50 1sf2 s THR 110 Cb 0.01 -2.06 0.33 0.00 1.34 0.00 0.00 72.50 72.13 1sf2 s THR 110 CO 0.09 -0.26 1.91 1.23 -0.54 0.00 0.00 174.62 177.04 1sf2 h GLY 111 N 3.01 0.94 0.97 3.99 0.00 -1.87 -0.15 103.07 109.96 1sf2 h GLY 111 Ca -0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1sf2 h GLY 111 CO 0.52 0.10 0.14 1.76 0.00 0.00 0.00 176.54 179.06 1sf2 h SER 112 N 0.57 0.28 -0.27 0.19 0.02 -1.96 -1.78 113.55 110.60 1sf2 h SER 112 Ca 0.39 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1sf2 h SER 112 Cb 0.70 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1sf2 h SER 112 CO -0.15 0.25 0.07 -0.33 -1.14 0.00 0.00 176.83 175.54 1sf2 h GLU 113 N 0.29 0.52 0.20 3.45 5.08 -1.48 -0.70 114.58 121.94 1sf2 h GLU 113 Ca 0.08 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sf2 h GLU 113 Cb 0.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1sf2 h GLU 113 CO -0.02 0.49 -0.10 0.00 -1.00 0.00 0.00 179.01 178.39 1sf2 h ALA 114 N 1.58 -0.27 -0.48 3.43 0.00 -0.53 0.22 119.26 123.20 1sf2 h ALA 114 Ca 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sf2 h ALA 114 Cb 0.22 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1sf2 h ALA 114 CO -0.00 -0.64 0.25 0.28 0.00 0.00 0.00 179.25 179.14 1sf2 h VAL 115 N -0.29 1.18 -0.52 0.00 2.07 -1.01 -0.16 116.25 117.51 1sf2 h VAL 115 Ca -0.03 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.12 1sf2 h VAL 115 Cb 0.22 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1sf2 h VAL 115 CO 0.05 0.19 0.02 -0.33 0.02 0.00 0.00 177.57 177.51 1sf2 h GLU 116 N 0.64 0.13 -0.30 1.57 4.39 -0.84 -1.51 114.58 118.67 1sf2 h GLU 116 Ca 0.17 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.69 1sf2 h GLU 116 Cb 0.07 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1sf2 h GLU 116 CO -0.03 0.09 -0.48 -0.91 -1.16 0.00 0.00 179.01 176.53 1sf2 h ASN 117 N 0.14 0.89 -0.56 1.42 2.35 -0.58 -1.44 115.58 117.79 1sf2 h ASN 117 Ca 0.26 -0.44 0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1sf2 h ASN 117 Cb 0.40 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1sf2 h ASN 117 CO -0.42 1.22 0.31 0.00 -1.65 0.00 0.00 177.43 176.89 1sf2 h ALA 118 N 0.81 0.72 -0.31 -0.83 0.00 -0.59 0.24 119.26 119.30 1sf2 h ALA 118 Ca 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1sf2 h ALA 118 Cb 1.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1sf2 h ALA 118 CO 0.11 0.00 0.02 0.28 0.00 0.00 0.00 179.25 179.66 1sf2 h VAL 119 N 0.61 1.25 -0.61 0.00 2.07 -1.18 0.17 116.25 118.55 1sf2 h VAL 119 Ca 0.24 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.91 1sf2 h VAL 119 Cb 0.09 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1sf2 h VAL 119 CO -0.13 0.29 0.33 0.11 0.02 0.00 0.00 177.57 178.19 1sf2 h LYS 120 N 0.35 0.61 -0.36 1.57 1.57 -0.74 0.08 116.57 119.65 1sf2 h LYS 120 Ca 0.09 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1sf2 h LYS 120 Cb 0.41 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1sf2 h LYS 120 CO 0.01 0.40 0.21 0.82 -0.57 0.00 0.00 179.45 180.32 1sf2 h ILE 121 N 0.63 1.13 -0.80 1.86 2.04 -0.25 -1.53 117.51 120.59 1sf2 h ILE 121 Ca 0.27 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1sf2 h ILE 121 Cb 0.16 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1sf2 h ILE 121 CO -0.17 0.14 0.44 0.00 0.00 0.00 0.00 178.15 178.56 1sf2 h ALA 122 N 1.07 1.27 -0.47 1.87 0.00 -0.34 -1.22 119.26 121.44 1sf2 h ALA 122 Ca 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1sf2 h ALA 122 Cb 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1sf2 h ALA 122 CO -0.02 0.60 -0.10 0.00 0.00 0.00 0.00 179.25 179.72 1sf2 h ARG 123 N 1.12 0.90 -0.30 0.00 3.08 -0.64 -1.12 114.38 117.42 1sf2 h ARG 123 Ca 0.28 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1sf2 h ARG 123 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1sf2 h ARG 123 CO -0.05 0.99 -0.21 0.00 -1.07 0.00 0.00 179.97 179.63 1sf2 h ALA 124 N 0.89 1.08 -0.07 0.04 0.00 -1.02 0.24 119.26 120.41 1sf2 h ALA 124 Ca 0.12 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1sf2 h ALA 124 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sf2 h ALA 124 CO 0.04 0.56 -0.54 0.00 0.00 0.00 0.00 179.25 179.32 1sf2 h ALA 125 N 1.28 0.95 0.00 0.00 0.00 -0.96 -3.31 119.26 117.21 1sf2 h ALA 125 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1sf2 h ALA 125 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1sf2 h ALA 125 CO 0.05 0.69 -0.88 0.25 0.00 0.00 0.00 179.25 179.36 1sf2 n THR 126 N -3.92 0.00 -3.03 0.00 -2.24 -0.45 -4.99 114.28 99.66 1sf2 n THR 126 Ca -0.02 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1sf2 n THR 126 Cb 0.57 0.76 0.04 0.00 -2.10 0.00 0.00 70.33 69.60 1sf2 n THR 126 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sf2 n LYS 127 N -1.48 -4.33 -4.24 -0.78 4.76 0.85 -5.02 118.16 107.91 1sf2 n LYS 127 Ca 0.01 0.54 -0.15 0.00 -2.87 0.00 0.00 58.31 55.84 1sf2 n LYS 127 Cb 0.23 -4.66 -0.10 0.00 -1.84 0.00 0.00 35.03 28.65 1sf2 n LYS 127 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1sf2 s ARG 128 N -5.62 1.04 -0.03 1.97 0.52 -1.15 -5.03 118.95 110.65 1sf2 s ARG 128 Ca 0.31 -1.41 0.10 0.00 -0.52 0.00 0.00 55.73 54.21 1sf2 s ARG 128 Cb -0.13 -0.65 -0.15 0.00 0.52 0.00 0.00 34.95 34.54 1sf2 s ARG 128 CO 0.38 0.09 0.18 0.43 0.02 0.00 0.00 175.30 176.40 1sf2 n SER 129 N -0.06 2.71 -4.90 0.23 7.64 -1.24 -4.50 113.62 113.50 1sf2 n SER 129 Ca -0.11 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.49 1sf2 n SER 129 Cb 0.60 1.32 -0.00 0.00 -1.01 0.00 0.00 64.21 65.12 1sf2 n SER 129 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1sf2 s GLY 130 N -3.34 1.55 0.05 0.23 0.00 0.62 -4.84 107.32 101.60 1sf2 s GLY 130 Ca -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 1sf2 s GLY 130 CO 0.41 -0.27 0.06 -0.51 0.00 0.00 0.00 173.10 172.79 1sf2 s THR 131 N -2.75 0.17 -0.07 0.90 -4.23 -1.08 0.25 115.64 108.82 1sf2 s THR 131 Ca 0.48 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 1sf2 s THR 131 Cb -0.10 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.58 1sf2 s THR 131 CO 0.44 -0.75 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.96 1sf2 s ILE 132 N -3.25 1.58 0.27 2.99 1.01 -0.76 -0.53 121.20 122.52 1sf2 s ILE 132 Ca 0.01 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1sf2 s ILE 132 Cb 0.03 -1.38 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 1sf2 s ILE 132 CO -0.08 0.45 0.03 0.00 0.00 0.00 0.00 174.94 175.35 1sf2 s ALA 133 N 0.34 2.00 0.28 9.38 0.00 -0.36 -0.30 121.76 133.11 1sf2 s ALA 133 Ca -0.13 -1.89 0.07 0.00 0.00 0.00 0.00 51.96 50.01 1sf2 s ALA 133 Cb -0.15 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 1sf2 s ALA 133 CO 0.05 -0.30 0.30 -0.06 0.00 0.00 0.00 175.76 175.76 1sf2 s PHE 134 N -3.42 3.13 0.35 0.00 0.40 -1.26 -1.20 117.98 115.99 1sf2 s PHE 134 Ca 0.33 -0.16 -0.28 0.00 -0.60 0.00 0.00 56.93 56.22 1sf2 s PHE 134 Cb 0.07 -1.64 -0.11 0.00 0.51 0.00 0.00 43.02 41.85 1sf2 s PHE 134 CO 0.12 0.33 1.41 -1.54 0.70 0.00 0.00 175.22 176.23 1sf2 s SER 135 N -3.97 6.54 0.00 1.36 1.04 -0.31 -1.69 113.70 116.67 1sf2 s SER 135 Ca 0.37 2.89 0.00 0.00 0.48 0.00 0.00 55.95 59.69 1sf2 s SER 135 Cb -0.08 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1sf2 s SER 135 CO 0.27 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.38 1sf2 n GLY 136 N 0.65 0.91 3.75 7.32 0.00 -1.06 -4.48 105.19 112.27 1sf2 n GLY 136 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1sf2 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf2 s ALA 137 N -3.21 2.13 -0.05 4.61 0.00 -0.68 -3.46 121.76 121.09 1sf2 s ALA 137 Ca 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1sf2 s ALA 137 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.84 1sf2 s ALA 137 CO 0.00 -1.92 0.09 -0.47 0.00 0.00 0.00 175.76 173.46 1sf2 s TYR 138 N -2.81 -0.03 0.00 0.00 5.04 -1.26 -0.22 117.35 118.06 1sf2 s TYR 138 Ca 0.63 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1sf2 s TYR 138 Cb -0.18 -0.34 0.00 0.00 0.35 0.00 0.00 41.96 41.78 1sf2 s TYR 138 CO 0.55 -0.19 0.35 0.72 -1.34 0.00 0.00 175.55 175.65 1sf2 n HIS 139 N 5.01 0.00 0.00 4.97 8.25 -1.26 -4.96 115.22 127.22 1sf2 n HIS 139 Ca -0.10 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1sf2 n HIS 139 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1sf2 n HIS 139 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf2 n GLY 140 N -0.06 2.98 1.12 -1.41 0.00 -1.26 -4.48 105.19 102.09 1sf2 n GLY 140 Ca 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 1sf2 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sf2 n ARG 141 N -1.63 1.92 -2.81 1.61 1.74 -1.26 -3.36 116.66 112.86 1sf2 n ARG 141 Ca 0.00 -3.15 -0.23 0.00 -0.77 0.00 0.00 57.85 53.70 1sf2 n ARG 141 Cb 0.00 -1.81 0.02 0.00 -1.02 0.00 0.00 32.46 29.65 1sf2 n ARG 141 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1sf2 s THR 142 N -3.21 3.64 0.15 0.55 -4.23 -1.26 -4.84 115.64 106.44 1sf2 s THR 142 Ca 0.44 -0.46 -0.26 0.00 -1.18 0.00 0.00 61.69 60.24 1sf2 s THR 142 Cb 0.40 -3.37 0.01 0.00 1.34 0.00 0.00 72.50 70.88 1sf2 s THR 142 CO 0.00 -0.28 1.59 0.45 -0.54 0.00 0.00 174.62 175.85 1sf2 h HIS 143 N 0.23 -1.03 -0.51 3.99 3.86 -1.99 0.20 115.15 119.90 1sf2 h HIS 143 Ca -0.45 0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 58.77 1sf2 h HIS 143 Cb 1.26 0.49 -0.02 0.00 1.06 0.00 0.00 27.41 30.21 1sf2 h HIS 143 CO 0.44 -0.42 0.16 -0.92 0.86 0.00 0.00 177.93 178.05 1sf2 h TYR 144 N -0.34 0.82 0.00 2.45 3.20 -1.95 -1.83 116.97 119.32 1sf2 h TYR 144 Ca 0.13 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1sf2 h TYR 144 Cb 0.57 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1sf2 h TYR 144 CO -0.52 0.71 0.00 0.25 -1.64 0.00 0.00 178.16 176.97 1sf2 n THR 145 N -4.49 0.78 0.08 1.81 -2.24 -0.96 -1.75 114.28 107.52 1sf2 n THR 145 Ca 0.02 0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.81 1sf2 n THR 145 Cb 0.20 -1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 67.23 1sf2 n THR 145 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sf2 h LEU 146 N 0.00 0.28 -0.51 3.22 3.38 0.09 -1.45 115.31 120.33 1sf2 h LEU 146 Ca 0.00 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1sf2 h LEU 146 Cb 0.43 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1sf2 h LEU 146 CO 0.00 1.25 -0.05 0.00 0.09 0.00 0.00 178.44 179.73 1sf2 h ALA 147 N 0.71 0.69 -0.10 1.53 0.00 -0.68 -2.81 119.26 118.60 1sf2 h ALA 147 Ca -0.11 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1sf2 h ALA 147 Cb 1.92 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1sf2 h ALA 147 CO 0.17 0.54 -0.34 -0.07 0.00 0.00 0.00 179.25 179.55 1sf2 h LEU 148 N 0.79 0.19 -9.59 0.00 3.38 -1.33 -3.43 115.31 105.33 1sf2 h LEU 148 Ca 0.14 -0.07 -0.53 0.00 0.09 0.00 0.00 57.88 57.51 1sf2 h LEU 148 Cb 0.59 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 41.31 1sf2 h LEU 148 CO 0.04 0.53 0.73 -0.89 0.09 0.00 0.00 178.44 178.94 1sf2 s THR 149 N -4.27 3.17 -1.35 0.22 2.01 -0.55 -4.62 115.64 110.25 1sf2 s THR 149 Ca -0.04 0.87 -0.06 0.00 0.31 0.00 0.00 61.69 62.76 1sf2 s THR 149 Cb 0.14 -3.56 0.10 0.00 0.01 0.00 0.00 72.50 69.20 1sf2 s THR 149 CO 0.75 0.08 2.40 0.61 -0.69 0.00 0.00 174.62 177.78 1sf2 n GLY 150 N 3.25 5.08 3.38 4.40 0.00 0.69 -4.74 105.19 117.25 1sf2 n GLY 150 Ca 0.10 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 44.14 1sf2 n GLY 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sf2 s LYS 151 N -0.67 0.29 -0.11 1.61 2.20 -1.26 -2.57 119.74 119.24 1sf2 s LYS 151 Ca 0.54 0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 56.84 1sf2 s LYS 151 Cb 0.18 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.91 1sf2 s LYS 151 CO -0.08 -0.12 -0.06 0.28 -0.36 0.00 0.00 175.35 175.01 1sf2 h VAL 152 N 5.50 0.00 -3.33 4.02 2.07 -1.93 -3.44 116.25 119.14 1sf2 h VAL 152 Ca -0.16 -0.95 -0.56 0.00 0.82 0.00 0.00 66.70 65.85 1sf2 h VAL 152 Cb 1.12 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1sf2 h VAL 152 CO 0.07 0.00 0.04 0.21 0.02 0.00 0.00 177.57 177.91 1sf2 s ASN 153 N -5.50 7.12 0.00 0.57 2.47 -1.26 0.60 114.94 118.94 1sf2 s ASN 153 Ca -0.05 1.33 0.25 0.00 0.42 0.00 0.00 52.86 54.82 1sf2 s ASN 153 Cb 0.01 -2.40 0.51 0.00 -1.45 0.00 0.00 41.25 37.91 1sf2 s ASN 153 CO 0.07 0.19 1.41 -0.81 -3.72 0.00 0.00 177.10 174.24 1sf2 n PRO 154 N 2.09 0.96 -0.38 0.43 -0.04 -1.26 -4.90 135.00 131.90 1sf2 n PRO 154 Ca -0.08 -0.66 0.30 0.00 -0.04 0.00 0.00 63.50 63.03 1sf2 n PRO 154 Cb 0.50 -1.49 0.58 0.00 -0.04 0.00 0.00 33.50 33.06 1sf2 n PRO 154 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1sf2 h TYR 155 N 1.60 0.56 0.00 0.54 0.99 -1.72 -2.95 116.97 115.98 1sf2 h TYR 155 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1sf2 h TYR 155 Cb 0.59 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 38.16 1sf2 h TYR 155 CO 0.00 -0.06 0.00 0.43 -0.00 0.00 0.00 178.16 178.53 1sf2 n SER 156 N -4.63 0.63 -4.53 3.88 7.64 0.20 -5.03 113.62 111.77 1sf2 n SER 156 Ca 0.31 -0.88 -0.55 0.00 1.01 0.00 0.00 58.87 58.75 1sf2 n SER 156 Cb 1.14 0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 64.43 1sf2 n SER 156 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sf2 n ALA 157 N -0.15 -2.47 0.00 -0.43 0.00 -1.12 -0.80 120.51 115.54 1sf2 n ALA 157 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1sf2 n ALA 157 Cb 0.04 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1sf2 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 158 N 1.92 1.93 0.09 0.00 0.00 -1.26 -4.80 105.19 103.07 1sf2 n GLY 158 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1sf2 n GLY 158 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sf2 n MET 159 N -1.98 0.28 0.00 1.61 2.00 0.02 -5.06 117.12 113.98 1sf2 n MET 159 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.86 1sf2 n MET 159 Cb 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 31.46 1sf2 n MET 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1sf2 n GLY 160 N 1.32 -2.08 3.72 3.03 0.00 -1.26 -4.93 105.19 104.99 1sf2 n GLY 160 Ca 0.05 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1sf2 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sf2 s LEU 161 N 0.00 4.40 0.79 0.99 1.43 -1.26 -4.95 118.68 120.08 1sf2 s LEU 161 Ca 0.00 1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 1sf2 s LEU 161 Cb 0.00 -3.47 0.07 0.00 0.03 0.00 0.00 46.19 42.82 1sf2 s LEU 161 CO 0.00 -0.17 1.09 -0.04 0.23 0.00 0.00 176.35 177.46 1sf2 s MET 162 N 0.67 2.12 0.02 1.70 -1.94 -1.26 -4.94 119.30 115.67 1sf2 s MET 162 Ca 0.47 0.67 -0.35 0.00 -1.71 0.00 0.00 55.69 54.77 1sf2 s MET 162 Cb -0.21 -1.92 -0.18 0.00 2.01 0.00 0.00 34.83 34.53 1sf2 s MET 162 CO 0.26 -1.60 0.93 -2.30 -0.01 0.00 0.00 175.02 172.30 1sf2 n PRO 163 N -3.42 0.00 -1.38 2.03 -0.02 -1.26 -4.96 135.00 125.98 1sf2 n PRO 163 Ca 0.07 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.38 1sf2 n PRO 163 Cb 0.56 -1.33 0.12 0.00 -0.02 0.00 0.00 33.50 32.83 1sf2 n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sf2 n GLY 164 N 1.42 -0.80 2.35 -1.23 0.00 -1.26 -4.57 105.19 101.10 1sf2 n GLY 164 Ca 0.18 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 1sf2 n GLY 164 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sf2 n HIS 165 N -2.93 -1.08 -3.78 1.61 8.25 -1.26 -5.02 115.22 111.00 1sf2 n HIS 165 Ca 0.11 0.36 -0.25 0.00 -0.26 0.00 0.00 57.72 57.67 1sf2 n HIS 165 Cb 0.37 -2.63 -0.17 0.00 1.12 0.00 0.00 29.99 28.68 1sf2 n HIS 165 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sf2 s VAL 166 N -3.01 0.54 0.09 1.59 1.01 -1.26 -2.65 120.40 116.71 1sf2 s VAL 166 Ca 0.21 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1sf2 s VAL 166 Cb -0.09 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1sf2 s VAL 166 CO 0.25 0.10 0.05 -0.31 0.00 0.00 0.00 175.10 175.19 1sf2 s TYR 167 N 1.88 3.11 -0.19 5.22 1.51 0.32 -4.98 117.35 124.22 1sf2 s TYR 167 Ca 0.03 0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 56.04 1sf2 s TYR 167 Cb -0.14 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 1sf2 s TYR 167 CO -0.07 0.51 0.09 0.50 -1.11 0.00 0.00 175.55 175.47 1sf2 s ARG 168 N -2.42 4.03 0.40 -0.62 6.06 -1.26 -1.22 118.95 123.92 1sf2 s ARG 168 Ca 0.28 -0.31 0.08 0.00 -2.50 0.00 0.00 55.73 53.28 1sf2 s ARG 168 Cb -0.12 -3.29 -0.06 0.00 0.06 0.00 0.00 34.95 31.54 1sf2 s ARG 168 CO 0.21 0.26 0.12 0.00 -2.50 0.00 0.00 175.30 173.38 1sf2 s ALA 169 N 0.43 3.43 -0.17 6.12 0.00 -0.34 -4.93 121.76 126.30 1sf2 s ALA 169 Ca 0.05 -2.12 -0.15 0.00 0.00 0.00 0.00 51.96 49.74 1sf2 s ALA 169 Cb -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1sf2 s ALA 169 CO -0.00 -0.12 0.33 -0.51 0.00 0.00 0.00 175.76 175.46 1sf2 s LEU 170 N -3.83 4.21 0.10 0.00 1.43 -1.26 -1.16 118.68 118.17 1sf2 s LEU 170 Ca 0.39 0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 53.69 1sf2 s LEU 170 Cb 0.04 -2.42 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 1sf2 s LEU 170 CO 0.21 0.04 1.06 -0.47 0.23 0.00 0.00 176.35 177.42 1sf2 s TYR 171 N 0.76 3.63 0.19 0.29 5.04 -1.26 -4.34 117.35 121.66 1sf2 s TYR 171 Ca 0.17 1.61 -0.32 0.00 -2.44 0.00 0.00 57.07 56.09 1sf2 s TYR 171 Cb -0.14 -3.22 -0.12 0.00 0.35 0.00 0.00 41.96 38.83 1sf2 s TYR 171 CO 0.06 -0.42 1.72 -0.35 -1.34 0.00 0.00 175.55 175.21 1sf2 n PRO 172 N 3.08 2.71 -3.02 4.97 -0.04 -1.26 -4.90 135.00 136.55 1sf2 n PRO 172 Ca 0.04 0.98 -0.07 0.00 -0.04 0.00 0.00 63.50 64.41 1sf2 n PRO 172 Cb 0.48 -2.82 -0.02 0.00 -0.04 0.00 0.00 33.50 31.10 1sf2 n PRO 172 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sf2 h PRO 174 N 5.82 0.12 -1.41 0.00 0.11 -1.87 -0.67 132.00 134.10 1sf2 h PRO 174 Ca 0.08 -0.01 0.41 0.00 0.11 0.00 0.00 66.00 66.59 1sf2 h PRO 174 Cb 1.10 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.12 1sf2 h PRO 174 CO 0.10 0.08 1.01 1.25 -0.21 0.00 0.00 178.00 180.22 1sf2 h LEU 175 N 0.12 0.01 -3.13 2.35 5.85 -1.95 0.27 115.31 118.83 1sf2 h LEU 175 Ca 0.29 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1sf2 h LEU 175 Cb 0.45 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1sf2 h LEU 175 CO -0.47 -0.00 -0.28 1.41 -0.34 0.00 0.00 178.44 178.76 1sf2 n HIS 176 N -4.13 0.41 -1.12 1.25 8.25 -0.40 -4.98 115.22 114.50 1sf2 n HIS 176 Ca 0.31 -1.45 -0.04 0.00 -0.26 0.00 0.00 57.72 56.28 1sf2 n HIS 176 Cb 1.46 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 32.23 1sf2 n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf2 n GLY 177 N -1.13 0.69 3.22 -1.41 0.00 0.93 -5.00 105.19 102.49 1sf2 n GLY 177 Ca 0.24 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1sf2 n GLY 177 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sf2 s ILE 178 N -2.06 4.12 0.82 -0.61 -1.09 -0.40 -4.96 121.20 117.03 1sf2 s ILE 178 Ca 0.00 -1.71 -0.12 0.00 -2.23 0.00 0.00 60.65 56.59 1sf2 s ILE 178 Cb 0.00 -3.67 0.08 0.00 -1.58 0.00 0.00 42.46 37.29 1sf2 s ILE 178 CO 0.00 -0.70 1.12 -0.94 -1.23 0.00 0.00 174.94 173.19 1sf2 s SER 179 N 2.45 4.33 0.25 3.58 1.04 -1.26 -0.19 113.70 123.89 1sf2 s SER 179 Ca 0.05 1.14 -0.04 0.00 0.48 0.00 0.00 55.95 57.58 1sf2 s SER 179 Cb -0.25 -1.82 0.29 0.00 0.10 0.00 0.00 66.02 64.33 1sf2 s SER 179 CO -0.00 -2.05 1.79 -0.33 0.98 0.00 0.00 173.24 173.63 1sf2 h GLU 180 N -1.15 0.98 -0.91 4.02 5.08 -1.97 -0.99 114.58 119.66 1sf2 h GLU 180 Ca -0.48 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 57.73 1sf2 h GLU 180 Cb 1.29 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 1sf2 h GLU 180 CO 0.61 0.85 0.59 -0.44 -1.00 0.00 0.00 179.01 179.63 1sf2 h ASP 181 N 0.95 0.96 -0.17 1.42 3.45 -1.99 -0.44 116.42 120.59 1sf2 h ASP 181 Ca 0.21 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 1sf2 h ASP 181 Cb 0.29 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 1sf2 h ASP 181 CO -0.01 0.64 0.09 0.44 -1.57 0.00 0.00 179.24 178.84 1sf2 h ASP 182 N 1.10 0.21 0.14 6.45 3.32 -1.58 0.03 116.42 126.10 1sf2 h ASP 182 Ca 0.37 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.33 1sf2 h ASP 182 Cb 0.07 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1sf2 h ASP 182 CO -0.12 0.25 -0.19 0.00 -1.72 0.00 0.00 179.24 177.46 1sf2 h ALA 183 N 0.97 -0.35 -0.62 3.45 0.00 -0.23 0.62 119.26 123.11 1sf2 h ALA 183 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sf2 h ALA 183 Cb 0.09 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1sf2 h ALA 183 CO -0.01 -0.73 0.35 0.82 0.00 0.00 0.00 179.25 179.68 1sf2 h ILE 184 N -0.39 1.19 -0.51 0.00 1.08 -1.07 -2.35 117.51 115.46 1sf2 h ILE 184 Ca 0.01 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1sf2 h ILE 184 Cb 0.39 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 1sf2 h ILE 184 CO -0.08 0.20 0.31 0.00 -0.69 0.00 0.00 178.15 177.90 1sf2 h ALA 185 N 1.17 1.60 0.00 1.87 0.00 -0.58 -1.03 119.26 122.29 1sf2 h ALA 185 Ca 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1sf2 h ALA 185 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sf2 h ALA 185 CO -0.04 0.36 -0.22 0.66 0.00 0.00 0.00 179.25 180.01 1sf2 h SER 186 N 0.69 0.00 -0.07 0.00 4.64 -0.34 -1.35 113.55 117.11 1sf2 h SER 186 Ca 0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 1sf2 h SER 186 Cb -0.04 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1sf2 h SER 186 CO -0.04 0.22 -0.42 0.40 -0.87 0.00 0.00 176.83 176.13 1sf2 h ILE 187 N 0.00 1.41 0.00 0.95 2.04 -0.99 -3.02 117.51 117.89 1sf2 h ILE 187 Ca -0.00 -1.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 1sf2 h ILE 187 Cb 0.49 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1sf2 h ILE 187 CO 0.03 0.53 -0.09 0.45 0.00 0.00 0.00 178.15 179.06 1sf2 h HIS 188 N -0.05 0.00 -0.62 1.37 3.86 -1.09 -1.88 115.15 116.73 1sf2 h HIS 188 Ca -0.03 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1sf2 h HIS 188 Cb 1.07 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.51 1sf2 h HIS 188 CO 0.13 0.09 0.27 -0.09 0.86 0.00 0.00 177.93 179.19 1sf2 h ARG 189 N 0.00 0.92 -0.31 2.45 2.43 -1.19 -0.52 114.38 118.16 1sf2 h ARG 189 Ca -0.00 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1sf2 h ARG 189 Cb 0.17 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1sf2 h ARG 189 CO 0.01 0.76 0.17 0.82 -1.51 0.00 0.00 179.97 180.22 1sf2 h ILE 190 N 0.86 1.13 -0.95 1.20 2.04 -1.23 0.14 117.51 120.71 1sf2 h ILE 190 Ca 0.21 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.82 1sf2 h ILE 190 Cb 0.16 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1sf2 h ILE 190 CO -0.02 0.13 0.61 -0.26 0.00 0.00 0.00 178.15 178.61 1sf2 h PHE 191 N 0.37 1.05 0.17 1.37 0.05 -1.00 0.34 116.94 119.30 1sf2 h PHE 191 Ca 0.11 0.03 -0.28 0.00 3.82 0.00 0.00 57.97 61.65 1sf2 h PHE 191 Cb 0.07 -0.34 0.02 0.00 2.00 0.00 0.00 35.95 37.70 1sf2 h PHE 191 CO -0.03 0.47 -1.32 0.87 -0.18 0.00 0.00 178.31 178.12 1sf2 h LYS 192 N 0.96 0.37 0.00 1.51 1.79 -0.65 -3.33 116.57 117.23 1sf2 h LYS 192 Ca 0.44 -0.63 -0.30 0.00 -2.18 0.00 0.00 60.65 57.99 1sf2 h LYS 192 Cb 0.40 0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 31.24 1sf2 h LYS 192 CO -0.20 1.30 -1.88 0.09 -1.08 0.00 0.00 179.45 177.68 1sf2 n ASN 193 N -3.87 0.61 0.00 0.86 4.13 0.46 -4.87 115.26 112.58 1sf2 n ASN 193 Ca -0.20 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1sf2 n ASN 193 Cb 0.96 0.30 0.00 0.00 -1.54 0.00 0.00 39.78 39.50 1sf2 n ASN 193 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1sf2 n ASP 194 N -2.93 2.25 -3.34 6.41 8.00 -0.22 -5.07 116.55 121.65 1sf2 n ASP 194 Ca -0.21 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.21 1sf2 n ASP 194 Cb 1.05 0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 42.23 1sf2 n ASP 194 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sf2 s ALA 195 N -1.49 -1.14 0.73 2.24 0.00 -0.06 -5.03 121.76 117.01 1sf2 s ALA 195 Ca 0.00 0.96 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 1sf2 s ALA 195 Cb 0.00 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.47 1sf2 s ALA 195 CO 0.00 -1.26 1.24 0.00 0.00 0.00 0.00 175.76 175.74 1sf2 s ALA 196 N 2.56 2.08 0.37 0.00 0.00 -1.25 -3.68 121.76 121.85 1sf2 s ALA 196 Ca 0.13 1.00 0.14 0.00 0.00 0.00 0.00 51.96 53.23 1sf2 s ALA 196 Cb -0.15 -3.52 1.00 0.00 0.00 0.00 0.00 23.12 20.45 1sf2 s ALA 196 CO -0.16 -1.97 1.77 -1.35 0.00 0.00 0.00 175.76 174.05 1sf2 h PRO 197 N -0.25 0.48 0.00 0.00 0.11 -1.94 0.39 132.00 130.79 1sf2 h PRO 197 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1sf2 h PRO 197 Cb 1.31 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sf2 h PRO 197 CO 0.49 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 177.75 1sf2 n GLU 198 N -4.69 0.49 0.00 1.05 0.00 -1.26 -1.29 120.64 114.94 1sf2 n GLU 198 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.41 1sf2 n GLU 198 Cb 0.78 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.87 1sf2 n GLU 198 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1sf2 n ASP 199 N -0.85 1.08 -4.50 -1.84 10.43 0.12 -4.84 116.55 116.15 1sf2 n ASP 199 Ca 0.08 -1.10 -0.40 0.00 2.57 0.00 0.00 54.79 55.94 1sf2 n ASP 199 Cb 0.04 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 42.89 1sf2 n ASP 199 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1sf2 s ILE 200 N -0.10 5.11 0.05 0.53 -1.09 -0.41 -0.27 121.20 125.03 1sf2 s ILE 200 Ca 0.00 -0.31 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 1sf2 s ILE 200 Cb 0.00 -3.65 -0.27 0.00 -1.58 0.00 0.00 42.46 36.96 1sf2 s ILE 200 CO 0.00 -0.02 1.05 0.00 -1.23 0.00 0.00 174.94 174.74 1sf2 h ALA 201 N 8.47 0.19 -2.99 9.38 0.00 -0.47 -3.43 119.26 130.41 1sf2 h ALA 201 Ca -0.31 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 53.62 1sf2 h ALA 201 Cb 1.15 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 1sf2 h ALA 201 CO 0.64 1.07 0.20 0.00 0.00 0.00 0.00 179.25 181.16 1sf2 s ALA 202 N -2.65 -1.51 -0.17 0.00 0.00 -1.22 -1.08 121.76 115.13 1sf2 s ALA 202 Ca -0.05 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1sf2 s ALA 202 Cb 0.07 0.88 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1sf2 s ALA 202 CO 0.87 -0.81 -0.19 0.42 0.00 0.00 0.00 175.76 176.04 1sf2 s ILE 203 N -3.78 1.98 -0.20 0.00 1.01 -0.54 -1.82 121.20 117.84 1sf2 s ILE 203 Ca 0.03 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 1sf2 s ILE 203 Cb -0.02 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 1sf2 s ILE 203 CO -0.09 0.53 0.11 -0.69 0.00 0.00 0.00 174.94 174.79 1sf2 s VAL 204 N 1.31 5.16 -0.07 2.92 1.01 0.59 -1.26 120.40 130.06 1sf2 s VAL 204 Ca 0.05 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1sf2 s VAL 204 Cb -0.13 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1sf2 s VAL 204 CO -0.12 0.43 0.28 -0.51 0.00 0.00 0.00 175.10 175.17 1sf2 s ILE 205 N 0.54 0.02 -0.25 2.22 2.07 -0.56 -4.08 121.20 121.17 1sf2 s ILE 205 Ca 0.06 -0.21 -0.18 0.00 -1.41 0.00 0.00 60.65 58.92 1sf2 s ILE 205 Cb -0.12 -0.46 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 1sf2 s ILE 205 CO 0.00 -0.11 0.51 -1.61 -1.91 0.00 0.00 174.94 171.82 1sf2 s GLU 206 N -0.42 4.08 0.26 3.50 2.02 -1.26 -1.45 118.70 125.44 1sf2 s GLU 206 Ca -0.05 0.33 -0.02 0.00 0.02 0.00 0.00 54.97 55.25 1sf2 s GLU 206 Cb -0.04 -3.64 0.54 0.00 0.10 0.00 0.00 34.13 31.10 1sf2 s GLU 206 CO 0.02 -0.32 1.71 -1.35 0.02 0.00 0.00 175.26 175.33 1sf2 h PRO 207 N 7.94 0.39 -4.21 0.39 0.11 -1.95 -3.34 132.00 131.33 1sf2 h PRO 207 Ca -0.30 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.25 1sf2 h PRO 207 Cb 1.14 -0.09 -0.37 0.00 0.11 0.00 0.00 31.00 31.79 1sf2 h PRO 207 CO 0.72 0.26 -0.80 0.08 -0.21 0.00 0.00 178.00 178.04 1sf2 s VAL 208 N -5.98 1.07 0.25 3.15 1.01 -1.26 -0.59 120.40 118.05 1sf2 s VAL 208 Ca -0.12 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1sf2 s VAL 208 Cb 0.22 -1.15 -0.09 0.00 0.00 0.00 0.00 36.38 35.36 1sf2 s VAL 208 CO 0.77 0.28 1.30 -1.10 0.00 0.00 0.00 175.10 176.34 1sf2 s GLN 209 N 1.68 4.40 0.00 2.72 -0.21 -0.32 -4.65 119.66 123.28 1sf2 s GLN 209 Ca 0.03 2.09 0.00 0.00 0.02 0.00 0.00 55.36 57.51 1sf2 s GLN 209 Cb -0.14 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.72 1sf2 s GLN 209 CO -0.08 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 1sf2 n GLY 210 N 1.77 0.71 0.31 3.09 0.00 -1.26 -1.02 105.19 108.78 1sf2 n GLY 210 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.22 1sf2 n GLY 210 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sf2 h GLU 211 N 0.00 0.00 0.00 1.61 4.39 -1.93 -1.81 114.58 116.84 1sf2 h GLU 211 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sf2 h GLU 211 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1sf2 h GLU 211 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1sf2 n GLY 212 N -1.28 -0.77 0.00 -3.84 0.00 -1.22 0.21 105.19 98.29 1sf2 n GLY 212 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sf2 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sf2 n GLY 213 N -0.08 1.50 3.50 -0.02 0.00 -0.69 -4.13 105.19 105.26 1sf2 n GLY 213 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1sf2 n GLY 213 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sf2 n PHE 214 N -0.12 -2.13 -3.93 1.61 3.01 -0.19 -4.89 117.46 110.81 1sf2 n PHE 214 Ca 0.00 0.87 -0.35 0.00 1.01 0.00 0.00 57.45 58.98 1sf2 n PHE 214 Cb 0.00 -4.64 -0.12 0.00 -0.01 0.00 0.00 39.48 34.71 1sf2 n PHE 214 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1sf2 s TYR 215 N -3.47 3.12 0.08 1.38 4.12 -1.20 -4.81 117.35 116.57 1sf2 s TYR 215 Ca 0.10 -0.27 -0.04 0.00 0.02 0.00 0.00 57.07 56.88 1sf2 s TYR 215 Cb -0.02 -2.15 -0.05 0.00 -1.52 0.00 0.00 41.96 38.22 1sf2 s TYR 215 CO 0.76 -0.17 0.30 0.00 0.02 0.00 0.00 175.55 176.47 1sf2 s ALA 216 N 1.07 3.87 0.17 3.71 0.00 -1.26 -1.17 121.76 128.15 1sf2 s ALA 216 Ca 0.04 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 1sf2 s ALA 216 Cb -0.14 -2.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1sf2 s ALA 216 CO 0.03 0.71 0.68 0.45 0.00 0.00 0.00 175.76 177.63 1sf2 s SER 217 N -2.26 7.09 0.50 0.00 0.15 0.25 -4.99 113.70 114.44 1sf2 s SER 217 Ca 0.36 1.38 -0.09 0.00 0.70 0.00 0.00 55.95 58.30 1sf2 s SER 217 Cb -0.13 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1sf2 s SER 217 CO 0.23 0.12 0.87 -0.94 1.20 0.00 0.00 173.24 174.72 1sf2 s SER 218 N -1.47 6.36 0.22 5.45 1.04 -1.26 -4.91 113.70 119.13 1sf2 s SER 218 Ca 0.38 1.18 -0.09 0.00 0.48 0.00 0.00 55.95 57.91 1sf2 s SER 218 Cb -0.18 -2.35 0.19 0.00 0.10 0.00 0.00 66.02 63.78 1sf2 s SER 218 CO 0.21 -0.61 1.89 -0.65 0.98 0.00 0.00 173.24 175.06 1sf2 h PRO 219 N 0.41 1.12 -0.56 4.02 0.11 -1.84 -0.84 132.00 134.42 1sf2 h PRO 219 Ca -0.46 -0.08 0.09 0.00 0.11 0.00 0.00 66.00 65.66 1sf2 h PRO 219 Cb 1.19 -0.25 -0.07 0.00 0.11 0.00 0.00 31.00 31.98 1sf2 h PRO 219 CO 0.62 0.76 0.15 0.00 -0.21 0.00 0.00 178.00 179.32 1sf2 h ALA 220 N 1.30 0.67 0.13 -0.75 0.00 -1.93 0.22 119.26 118.89 1sf2 h ALA 220 Ca 0.31 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1sf2 h ALA 220 Cb -0.10 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sf2 h ALA 220 CO -0.06 -0.27 -0.06 0.35 0.00 0.00 0.00 179.25 179.21 1sf2 h PHE 221 N 0.30 -0.16 -0.82 0.00 3.57 -1.78 -1.98 116.94 116.07 1sf2 h PHE 221 Ca 0.28 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.90 1sf2 h PHE 221 Cb 0.38 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.12 1sf2 h PHE 221 CO -0.21 0.10 0.53 1.98 -2.23 0.00 0.00 178.31 178.49 1sf2 h MET 222 N -0.42 0.63 -0.57 1.11 4.05 -0.69 -0.04 114.93 119.00 1sf2 h MET 222 Ca -0.02 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.26 1sf2 h MET 222 Cb 0.34 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 1sf2 h MET 222 CO 0.03 0.42 -0.03 1.96 0.23 0.00 0.00 176.91 179.51 1sf2 h GLN 223 N 0.65 1.04 -0.43 0.39 4.20 -0.37 -0.58 115.11 120.00 1sf2 h GLN 223 Ca 0.39 -0.35 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1sf2 h GLN 223 Cb 0.62 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1sf2 h GLN 223 CO -0.16 1.04 -0.12 0.00 -0.67 0.00 0.00 178.83 178.92 1sf2 h ARG 224 N 0.93 0.79 -0.61 1.46 3.08 -0.43 -1.55 114.38 118.05 1sf2 h ARG 224 Ca 0.16 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1sf2 h ARG 224 Cb 0.59 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1sf2 h ARG 224 CO 0.04 0.88 0.03 1.25 -1.07 0.00 0.00 179.97 181.09 1sf2 h LEU 225 N 0.71 1.02 -0.53 3.04 5.85 -0.71 0.03 115.31 124.73 1sf2 h LEU 225 Ca 0.12 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1sf2 h LEU 225 Cb 0.61 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1sf2 h LEU 225 CO 0.04 1.06 0.13 -0.09 -0.34 0.00 0.00 178.44 179.24 1sf2 h ARG 226 N 0.97 0.85 -0.27 1.25 9.65 -0.92 -0.41 114.38 125.50 1sf2 h ARG 226 Ca 0.18 -0.20 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1sf2 h ARG 226 Cb 0.52 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 1sf2 h ARG 226 CO 0.03 0.80 0.12 0.00 2.80 0.00 0.00 179.97 183.72 1sf2 h ALA 227 N 1.01 0.35 -0.54 2.80 0.00 -0.95 0.25 119.26 122.17 1sf2 h ALA 227 Ca 0.17 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1sf2 h ALA 227 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1sf2 h ALA 227 CO 0.00 -0.08 0.34 1.25 0.00 0.00 0.00 179.25 180.76 1sf2 h LEU 228 N 0.29 0.58 -0.31 0.00 6.46 -0.76 -0.35 115.31 121.22 1sf2 h LEU 228 Ca 0.09 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1sf2 h LEU 228 Cb 0.14 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1sf2 h LEU 228 CO -0.01 0.41 0.08 0.00 -0.62 0.00 0.00 178.44 178.30 1sf2 h ASP 230 N 0.34 0.36 -0.65 0.00 3.32 -0.58 0.21 116.42 119.43 1sf2 h ASP 230 Ca 0.10 0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.25 1sf2 h ASP 230 Cb 0.29 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1sf2 h ASP 230 CO 0.00 0.24 0.43 -0.08 -1.72 0.00 0.00 179.24 178.11 1sf2 h GLU 231 N 0.50 0.62 -0.26 3.56 4.81 -0.94 -2.92 114.58 119.95 1sf2 h GLU 231 Ca 0.25 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1sf2 h GLU 231 Cb 0.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1sf2 h GLU 231 CO -0.19 0.41 0.00 0.72 -0.73 0.00 0.00 179.01 179.22 1sf2 n HIS 232 N -4.48 0.34 -2.46 0.92 8.25 -0.82 -4.98 115.22 111.99 1sf2 n HIS 232 Ca 0.09 -0.26 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 1sf2 n HIS 232 Cb 0.24 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.35 1sf2 n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf2 n GLY 233 N 0.90 -0.17 3.82 -1.41 0.00 0.62 -4.81 105.19 104.13 1sf2 n GLY 233 Ca 0.13 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1sf2 n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sf2 s ILE 234 N -2.80 5.17 -0.05 -0.61 1.01 -0.42 -4.95 121.20 118.56 1sf2 s ILE 234 Ca 0.08 0.69 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 1sf2 s ILE 234 Cb -0.04 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1sf2 s ILE 234 CO 0.10 0.53 0.97 -0.04 0.00 0.00 0.00 174.94 176.50 1sf2 s MET 235 N -0.66 4.50 -0.30 2.79 -1.94 -0.24 -4.50 119.30 118.93 1sf2 s MET 235 Ca 0.21 1.37 -0.19 0.00 -1.71 0.00 0.00 55.69 55.37 1sf2 s MET 235 Cb -0.15 -3.49 -0.01 0.00 2.01 0.00 0.00 34.83 33.18 1sf2 s MET 235 CO 0.10 -0.15 0.57 -1.17 -0.01 0.00 0.00 175.02 174.37 1sf2 s LEU 236 N 1.39 4.16 -0.28 -0.03 2.96 -1.26 -1.46 118.68 124.16 1sf2 s LEU 236 Ca 0.50 0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.68 1sf2 s LEU 236 Cb -0.20 -2.73 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 1sf2 s LEU 236 CO 0.23 -0.43 0.10 -0.63 -1.32 0.00 0.00 176.35 174.30 1sf2 s ILE 237 N 2.49 4.33 -0.38 6.68 1.01 -0.39 -0.55 121.20 134.39 1sf2 s ILE 237 Ca 0.23 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 1sf2 s ILE 237 Cb -0.15 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.19 1sf2 s ILE 237 CO 0.11 0.19 0.49 0.00 0.00 0.00 0.00 174.94 175.73 1sf2 s ALA 238 N 1.59 3.45 -0.58 9.38 0.00 0.87 -1.49 121.76 134.99 1sf2 s ALA 238 Ca 0.05 -1.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.57 1sf2 s ALA 238 Cb -0.16 -3.03 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1sf2 s ALA 238 CO 0.04 -1.37 0.93 0.34 0.00 0.00 0.00 175.76 175.71 1sf2 s ASP 239 N 1.80 6.29 -0.21 0.00 -1.08 -0.53 -1.23 116.67 121.72 1sf2 s ASP 239 Ca 0.16 -0.53 0.14 0.00 -0.52 0.00 0.00 52.55 51.81 1sf2 s ASP 239 Cb -0.16 -2.43 0.47 0.00 -1.46 0.00 0.00 42.92 39.35 1sf2 s ASP 239 CO 0.14 -1.27 1.37 -0.62 0.52 0.00 0.00 175.17 175.32 1sf2 n GLU 240 N 7.47 2.19 -0.33 4.34 1.02 -0.51 -4.32 120.64 130.50 1sf2 n GLU 240 Ca -0.00 -2.93 0.11 0.00 -0.02 0.00 0.00 57.16 54.32 1sf2 n GLU 240 Cb 0.47 -1.76 0.29 0.00 -0.02 0.00 0.00 31.44 30.42 1sf2 n GLU 240 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1sf2 h VAL 241 N 1.16 0.71 0.00 2.62 2.07 -1.85 0.48 116.25 121.44 1sf2 h VAL 241 Ca 0.07 -0.25 -0.31 0.00 0.82 0.00 0.00 66.70 67.03 1sf2 h VAL 241 Cb 1.41 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1sf2 h VAL 241 CO 0.22 0.13 -2.18 1.67 0.02 0.00 0.00 177.57 177.43 1sf2 n GLN 242 N -4.80 0.93 0.19 1.57 7.27 -1.26 -4.09 117.38 117.19 1sf2 n GLN 242 Ca 0.21 0.05 0.13 0.00 0.07 0.00 0.00 57.00 57.47 1sf2 n GLN 242 Cb 0.52 -1.43 0.35 0.00 2.41 0.00 0.00 30.24 32.09 1sf2 n GLN 242 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1sf2 h SER 243 N 0.00 0.00 -2.13 1.69 4.64 -1.81 -3.46 113.55 112.48 1sf2 h SER 243 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1sf2 h SER 243 Cb 1.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 1sf2 h SER 243 CO -0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 1sf2 n GLY 244 N 0.89 -0.91 3.61 -0.77 0.00 0.17 -3.86 105.19 104.31 1sf2 n GLY 244 Ca 0.04 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.12 1sf2 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf2 n ALA 245 N -3.00 -1.38 -0.93 4.61 0.00 -0.66 -3.14 120.51 116.01 1sf2 n ALA 245 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1sf2 n ALA 245 Cb 0.00 -5.16 0.00 0.00 0.00 0.00 0.00 19.45 14.29 1sf2 n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 246 N -1.91 0.40 0.32 0.00 0.00 0.60 -4.88 105.19 99.72 1sf2 n GLY 246 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1sf2 n GLY 246 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1sf2 h ARG 247 N 1.02 0.00 -0.66 1.61 9.65 -1.65 -2.87 114.38 121.48 1sf2 h ARG 247 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1sf2 h ARG 247 Cb 0.26 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 1sf2 h ARG 247 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 179.97 183.02 1sf2 n THR 248 N -4.27 0.97 0.00 0.20 -2.24 -1.26 -0.05 114.28 107.63 1sf2 n THR 248 Ca 0.02 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1sf2 n THR 248 Cb 0.29 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1sf2 n THR 248 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sf2 n GLY 249 N 1.50 2.61 3.41 3.38 0.00 -1.08 -2.61 105.19 112.40 1sf2 n GLY 249 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1sf2 n GLY 249 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sf2 s THR 250 N -2.57 2.18 0.20 2.61 -4.23 -1.26 -4.65 115.64 107.92 1sf2 s THR 250 Ca 0.00 -2.22 -0.11 0.00 -1.18 0.00 0.00 61.69 58.18 1sf2 s THR 250 Cb 0.00 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 71.84 1sf2 s THR 250 CO 0.00 -0.38 1.72 0.25 -0.54 0.00 0.00 174.62 175.67 1sf2 h LEU 251 N 2.66 0.07 -8.34 4.79 5.85 -1.94 -3.30 115.31 115.10 1sf2 h LEU 251 Ca -0.41 0.09 -0.57 0.00 0.84 0.00 0.00 57.88 57.84 1sf2 h LEU 251 Cb 1.23 0.11 -0.30 0.00 0.37 0.00 0.00 40.66 42.08 1sf2 h LEU 251 CO 0.57 0.05 -0.84 -0.36 -0.34 0.00 0.00 178.44 177.52 1sf2 s PHE 252 N -6.12 1.68 0.41 1.25 0.40 -1.26 -0.29 117.98 114.05 1sf2 s PHE 252 Ca -0.13 -0.35 0.11 0.00 -0.60 0.00 0.00 56.93 55.96 1sf2 s PHE 252 Cb 0.17 -1.09 0.92 0.00 0.51 0.00 0.00 43.02 43.53 1sf2 s PHE 252 CO 0.74 -0.05 1.99 0.00 0.70 0.00 0.00 175.22 178.59 1sf2 h ALA 253 N 5.78 1.88 -0.17 5.36 0.00 -1.78 -2.27 119.26 128.06 1sf2 h ALA 253 Ca -0.37 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.58 1sf2 h ALA 253 Cb 1.15 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1sf2 h ALA 253 CO 0.48 0.01 0.15 0.52 0.00 0.00 0.00 179.25 180.41 1sf2 h MET 254 N 0.53 0.00 -0.43 0.00 2.86 -1.96 -0.98 114.93 114.95 1sf2 h MET 254 Ca 0.27 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.99 1sf2 h MET 254 Cb 0.37 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1sf2 h MET 254 CO -0.08 0.00 0.29 0.93 1.06 0.00 0.00 176.91 179.11 1sf2 h GLU 255 N 0.00 0.24 -0.01 1.72 5.08 -1.69 0.96 114.58 120.87 1sf2 h GLU 255 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sf2 h GLU 255 Cb 0.39 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1sf2 h GLU 255 CO -0.00 0.16 -0.03 1.04 -1.00 0.00 0.00 179.01 179.17 1sf2 n GLN 256 N -4.47 1.34 0.10 2.33 6.02 -0.37 -3.93 117.38 118.39 1sf2 n GLN 256 Ca 0.06 -0.62 0.12 0.00 -0.01 0.00 0.00 57.00 56.55 1sf2 n GLN 256 Cb 0.32 -1.49 0.03 0.00 1.02 0.00 0.00 30.24 30.12 1sf2 n GLN 256 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1sf2 h MET 257 N 1.50 0.00 0.00 -1.09 2.86 -0.84 -3.43 114.93 113.93 1sf2 h MET 257 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sf2 h MET 257 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1sf2 h MET 257 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1sf2 n GLY 258 N 1.21 0.75 3.32 8.32 0.00 -1.24 -4.49 105.19 113.06 1sf2 n GLY 258 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1sf2 n GLY 258 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sf2 s VAL 259 N -2.69 0.08 -0.02 1.61 -7.23 -1.26 -5.03 120.40 105.86 1sf2 s VAL 259 Ca 0.00 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1sf2 s VAL 259 Cb 0.00 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 1sf2 s VAL 259 CO 0.00 -0.37 -0.09 0.00 -0.31 0.00 0.00 175.10 174.32 1sf2 s ALA 260 N -3.91 2.90 0.69 1.32 0.00 -1.26 -4.72 121.76 116.78 1sf2 s ALA 260 Ca 0.11 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 1sf2 s ALA 260 Cb 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 23.12 22.10 1sf2 s ALA 260 CO -0.05 0.59 1.04 -1.25 0.00 0.00 0.00 175.76 176.09 1sf2 s PRO 261 N -1.15 2.62 0.05 0.00 0.04 -1.26 -4.99 135.00 130.32 1sf2 s PRO 261 Ca 0.15 0.16 0.10 0.00 0.04 0.00 0.00 61.00 61.45 1sf2 s PRO 261 Cb -0.11 -2.10 -0.20 0.00 0.04 0.00 0.00 34.50 32.12 1sf2 s PRO 261 CO 0.04 -1.06 0.99 -0.44 0.04 0.00 0.00 177.00 176.57 1sf2 h ASP 262 N -0.57 0.00 -3.76 6.66 3.32 -1.19 -3.46 116.42 117.42 1sf2 h ASP 262 Ca -0.45 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.39 1sf2 h ASP 262 Cb 1.28 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.55 1sf2 h ASP 262 CO 0.63 0.95 -0.60 -0.76 -1.72 0.00 0.00 179.24 177.74 1sf2 s LEU 263 N -6.37 1.58 -0.04 1.55 1.43 -0.92 -1.62 118.68 114.29 1sf2 s LEU 263 Ca -0.02 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1sf2 s LEU 263 Cb 0.09 0.35 -0.00 0.00 0.03 0.00 0.00 46.19 46.66 1sf2 s LEU 263 CO 0.82 -0.04 -0.14 -0.89 0.23 0.00 0.00 176.35 176.33 1sf2 s THR 264 N 0.09 1.17 0.04 5.49 2.01 0.36 -0.09 115.64 124.71 1sf2 s THR 264 Ca -0.00 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1sf2 s THR 264 Cb -0.01 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1sf2 s THR 264 CO -0.00 0.35 0.02 0.42 -0.69 0.00 0.00 174.62 174.71 1sf2 s THR 265 N 0.12 4.20 0.03 -0.82 -4.23 -0.37 -0.67 115.64 113.90 1sf2 s THR 265 Ca -0.04 -0.72 -0.11 0.00 -1.18 0.00 0.00 61.69 59.64 1sf2 s THR 265 Cb -0.11 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.81 1sf2 s THR 265 CO 0.02 0.27 0.23 0.72 -0.54 0.00 0.00 174.62 175.31 1sf2 s PHE 266 N -1.20 -0.01 0.00 3.99 -0.12 -0.47 -1.42 117.98 118.75 1sf2 s PHE 266 Ca 0.23 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 1sf2 s PHE 266 Cb -0.12 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.29 1sf2 s PHE 266 CO 0.14 -0.43 0.00 0.00 -0.05 0.00 0.00 175.22 174.89 1sf2 n ALA 267 N 0.81 0.00 0.00 1.99 0.00 -1.26 -0.87 120.51 121.18 1sf2 n ALA 267 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1sf2 n ALA 267 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1sf2 n ALA 267 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sf2 n LYS 268 N 0.00 0.00 0.21 0.00 5.02 -1.26 -1.48 118.16 120.65 1sf2 n LYS 268 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 1sf2 n LYS 268 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 35.72 1sf2 n LYS 268 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1sf2 h SER 269 N 0.00 0.00 -1.15 4.39 0.02 -1.60 -3.20 113.55 112.00 1sf2 h SER 269 Ca 0.00 0.00 0.33 0.00 -0.84 0.00 0.00 61.79 61.28 1sf2 h SER 269 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1sf2 h SER 269 CO 0.00 0.00 0.77 -0.29 -1.14 0.00 0.00 176.83 176.17 1sf2 h ILE 270 N 0.00 0.41 -0.03 3.27 6.09 -1.55 -1.59 117.51 124.11 1sf2 h ILE 270 Ca 0.00 -0.07 -0.01 0.00 -1.37 0.00 0.00 64.86 63.41 1sf2 h ILE 270 Cb 0.19 0.17 -0.00 0.00 0.47 0.00 0.00 36.82 37.65 1sf2 h ILE 270 CO 0.00 0.04 -0.18 0.00 -3.07 0.00 0.00 178.15 174.94 1sf2 n ALA 271 N -2.58 2.88 -3.49 0.18 0.00 -1.21 -4.26 120.51 112.04 1sf2 n ALA 271 Ca 0.28 -2.88 -0.24 0.00 0.00 0.00 0.00 53.44 50.61 1sf2 n ALA 271 Cb 1.11 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 1sf2 n ALA 271 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 272 N -1.27 -0.47 0.00 0.00 0.00 -0.60 -2.64 105.19 100.21 1sf2 n GLY 272 Ca 0.18 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1sf2 n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sf2 n GLY 273 N -1.03 1.67 3.06 -0.02 0.00 -1.21 -4.68 105.19 102.98 1sf2 n GLY 273 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 1sf2 n GLY 273 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sf2 s PHE 274 N -2.00 0.85 -0.64 1.61 0.40 -1.08 -5.08 117.98 112.04 1sf2 s PHE 274 Ca 0.00 -0.27 -0.26 0.00 -0.60 0.00 0.00 56.93 55.80 1sf2 s PHE 274 Cb 0.00 -0.52 -0.08 0.00 0.51 0.00 0.00 43.02 42.93 1sf2 s PHE 274 CO 0.00 -0.01 2.28 -2.14 0.70 0.00 0.00 175.22 176.05 1sf2 s PRO 275 N -0.75 2.07 -0.12 0.24 0.02 -1.26 -4.63 135.00 130.57 1sf2 s PRO 275 Ca -0.00 0.84 -0.21 0.00 0.02 0.00 0.00 61.00 61.65 1sf2 s PRO 275 Cb -0.06 -4.66 0.05 0.00 0.02 0.00 0.00 34.50 29.85 1sf2 s PRO 275 CO 0.00 -3.56 0.52 -1.17 -0.33 0.00 0.00 177.00 172.46 1sf2 s LEU 276 N 12.30 0.02 0.23 -5.54 2.96 -1.09 -4.60 118.68 122.96 1sf2 s LEU 276 Ca 0.89 0.74 -0.13 0.00 -0.22 0.00 0.00 54.13 55.41 1sf2 s LEU 276 Cb -0.14 1.88 -0.00 0.00 0.50 0.00 0.00 46.19 48.42 1sf2 s LEU 276 CO 0.17 -0.36 0.47 0.00 -1.32 0.00 0.00 176.35 175.31 1sf2 s ALA 277 N -0.48 -0.31 0.09 5.97 0.00 -1.15 -4.25 121.76 121.62 1sf2 s ALA 277 Ca -0.06 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 50.83 1sf2 s ALA 277 Cb -0.03 1.02 0.09 0.00 0.00 0.00 0.00 23.12 24.20 1sf2 s ALA 277 CO 0.04 -0.83 1.11 0.20 0.00 0.00 0.00 175.76 176.28 1sf2 s GLY 278 N -3.00 -0.22 -0.05 0.00 0.00 -0.05 -0.42 107.32 103.59 1sf2 s GLY 278 Ca 0.20 0.22 0.01 0.00 0.00 0.00 0.00 44.72 45.15 1sf2 s GLY 278 CO 0.07 0.93 -0.07 0.14 0.00 0.00 0.00 173.10 174.18 1sf2 s VAL 279 N -2.69 0.70 -0.09 1.40 1.01 0.47 -1.36 120.40 119.83 1sf2 s VAL 279 Ca 0.16 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1sf2 s VAL 279 Cb 0.01 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.71 1sf2 s VAL 279 CO 0.01 0.26 -0.19 -0.89 0.00 0.00 0.00 175.10 174.28 1sf2 s THR 280 N 0.81 1.70 0.29 3.92 2.01 0.15 -0.70 115.64 123.81 1sf2 s THR 280 Ca -0.12 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 60.92 1sf2 s THR 280 Cb -0.15 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.88 1sf2 s THR 280 CO 0.01 0.48 0.62 -0.83 -0.69 0.00 0.00 174.62 174.22 1sf2 s GLY 281 N 0.51 0.35 -0.10 4.40 0.00 -0.44 -0.49 107.32 111.55 1sf2 s GLY 281 Ca -0.16 -0.70 -0.39 0.00 0.00 0.00 0.00 44.72 43.47 1sf2 s GLY 281 CO 0.06 -0.40 1.46 -2.13 0.00 0.00 0.00 173.10 172.09 1sf2 n ARG 282 N -0.45 0.88 -0.20 2.90 0.63 -0.64 -1.04 116.66 118.73 1sf2 n ARG 282 Ca -0.03 0.32 -0.04 0.00 -0.92 0.00 0.00 57.85 57.18 1sf2 n ARG 282 Cb 0.60 -1.94 0.02 0.00 0.45 0.00 0.00 32.46 31.60 1sf2 n ARG 282 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sf2 h ALA 283 N 5.26 0.09 -1.00 5.13 0.00 -1.65 -0.09 119.26 127.00 1sf2 h ALA 283 Ca -0.47 0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1sf2 h ALA 283 Cb 1.35 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 19.77 1sf2 h ALA 283 CO 0.84 -0.60 0.65 0.93 0.00 0.00 0.00 179.25 181.07 1sf2 h GLU 284 N -0.12 1.16 -0.02 0.00 3.07 -1.88 -0.52 114.58 116.27 1sf2 h GLU 284 Ca 0.25 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1sf2 h GLU 284 Cb 0.53 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1sf2 h GLU 284 CO -0.67 0.77 -0.00 0.28 -1.40 0.00 0.00 179.01 177.98 1sf2 h VAL 285 N 1.19 1.28 -0.45 3.13 2.07 -1.53 -3.02 116.25 118.93 1sf2 h VAL 285 Ca 0.43 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1sf2 h VAL 285 Cb 0.15 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1sf2 h VAL 285 CO -0.17 0.22 0.30 0.24 0.02 0.00 0.00 177.57 178.19 1sf2 h MET 286 N -0.31 0.34 0.00 1.57 2.86 -0.68 -1.58 114.93 117.14 1sf2 h MET 286 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1sf2 h MET 286 Cb 0.37 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1sf2 h MET 286 CO 0.00 0.23 0.00 -0.25 1.06 0.00 0.00 176.91 177.95 1sf2 n ASP 287 N -4.47 0.00 -0.21 1.22 10.43 -0.24 -3.91 116.55 119.38 1sf2 n ASP 287 Ca 0.06 -0.01 0.05 0.00 2.57 0.00 0.00 54.79 57.46 1sf2 n ASP 287 Cb 0.26 -0.33 0.32 0.00 1.84 0.00 0.00 41.12 43.21 1sf2 n ASP 287 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sf2 h ALA 288 N 3.33 1.63 -2.75 2.24 0.00 -1.17 -3.42 119.26 119.11 1sf2 h ALA 288 Ca 0.00 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.36 1sf2 h ALA 288 Cb 0.33 -0.22 0.05 0.00 0.00 0.00 0.00 17.79 17.94 1sf2 h ALA 288 CO 0.00 0.26 0.71 0.08 0.00 0.00 0.00 179.25 180.30 1sf2 s VAL 289 N -5.74 2.82 0.55 0.00 1.01 -1.25 -4.79 120.40 112.99 1sf2 s VAL 289 Ca -0.10 0.71 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 1sf2 s VAL 289 Cb 0.19 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1sf2 s VAL 289 CO 0.78 0.12 1.25 0.00 0.00 0.00 0.00 175.10 177.25 1sf2 s ALA 290 N -0.18 2.74 0.16 5.51 0.00 -1.26 -4.90 121.76 123.83 1sf2 s ALA 290 Ca 0.57 1.12 -0.34 0.00 0.00 0.00 0.00 51.96 53.30 1sf2 s ALA 290 Cb -0.40 -3.48 -0.14 0.00 0.00 0.00 0.00 23.12 19.10 1sf2 s ALA 290 CO 0.44 -1.13 1.52 -0.35 0.00 0.00 0.00 175.76 176.23 1sf2 n PRO 291 N -1.14 2.00 -0.72 0.00 -0.04 -1.26 -1.23 135.00 132.62 1sf2 n PRO 291 Ca 0.11 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1sf2 n PRO 291 Cb 0.48 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1sf2 n PRO 291 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sf2 n GLY 292 N 3.11 0.81 0.18 0.55 0.00 -1.26 -4.91 105.19 103.67 1sf2 n GLY 292 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1sf2 n GLY 292 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sf2 h GLY 293 N 0.00 0.00 -5.23 -0.02 0.00 -1.51 -3.44 103.07 92.86 1sf2 h GLY 293 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1sf2 h GLY 293 CO 0.00 0.00 -0.60 1.08 0.00 0.00 0.00 176.54 177.02 1sf2 s LEU 294 N -6.35 3.70 0.00 3.11 1.43 -1.26 -5.04 118.68 114.26 1sf2 s LEU 294 Ca 0.05 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1sf2 s LEU 294 Cb 0.06 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1sf2 s LEU 294 CO 0.71 0.35 0.00 0.61 0.23 0.00 0.00 176.35 178.25 1sf2 n GLY 295 N 1.90 1.57 3.63 -3.19 0.00 -1.26 -5.07 105.19 102.76 1sf2 n GLY 295 Ca -0.17 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 1sf2 n GLY 295 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sf2 s GLY 296 N 0.00 -0.20 0.10 -0.02 0.00 -1.26 -5.05 107.32 100.88 1sf2 s GLY 296 Ca 0.00 2.54 -0.26 0.00 0.00 0.00 0.00 44.72 46.99 1sf2 s GLY 296 CO 0.00 1.74 1.67 -0.84 0.00 0.00 0.00 173.10 175.67 1sf2 h THR 297 N 3.53 0.61 0.00 0.90 2.02 -2.01 -3.09 112.91 114.88 1sf2 h THR 297 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1sf2 h THR 297 Cb 1.17 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1sf2 h THR 297 CO 0.12 0.00 -0.35 -1.22 0.37 0.00 0.00 175.52 174.44 1sf2 n TYR 298 N -5.30 0.31 -0.95 3.16 4.01 -1.26 -4.46 117.16 112.67 1sf2 n TYR 298 Ca -0.08 0.09 -0.37 0.00 -0.16 0.00 0.00 57.90 57.38 1sf2 n TYR 298 Cb 0.21 -0.54 -0.05 0.00 -0.31 0.00 0.00 39.34 38.66 1sf2 n TYR 298 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sf2 n ALA 299 N -1.64 -1.65 -3.58 -0.72 0.00 -1.17 -1.33 120.51 110.41 1sf2 n ALA 299 Ca 0.05 0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 1sf2 n ALA 299 Cb 0.38 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 18.81 1sf2 n ALA 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sf2 n GLY 300 N 1.55 -0.38 3.66 0.00 0.00 -0.91 -4.53 105.19 104.58 1sf2 n GLY 300 Ca 0.15 0.15 -0.48 0.00 0.00 0.00 0.00 46.02 45.84 1sf2 n GLY 300 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sf2 n ASN 301 N -3.08 2.83 -0.35 1.61 2.85 -0.44 -4.78 115.26 113.90 1sf2 n ASN 301 Ca -0.28 1.08 -0.00 0.00 -0.11 0.00 0.00 54.58 55.27 1sf2 n ASN 301 Cb 0.67 -1.37 0.06 0.00 1.24 0.00 0.00 39.78 40.38 1sf2 n ASN 301 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1sf2 h PRO 302 N 6.09 -0.02 -0.70 1.20 0.11 -1.88 -0.23 132.00 136.58 1sf2 h PRO 302 Ca -0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 1sf2 h PRO 302 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1sf2 h PRO 302 CO 0.88 -0.01 0.16 0.82 -0.21 0.00 0.00 178.00 179.63 1sf2 h ILE 303 N -0.02 1.26 -0.10 4.15 2.04 -1.82 -2.60 117.51 120.42 1sf2 h ILE 303 Ca 0.36 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 1sf2 h ILE 303 Cb 0.61 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1sf2 h ILE 303 CO -0.95 0.38 -0.36 0.00 0.00 0.00 0.00 178.15 177.22 1sf2 h ALA 304 N 1.08 1.21 0.15 1.87 0.00 -1.52 -2.62 119.26 119.43 1sf2 h ALA 304 Ca 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1sf2 h ALA 304 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sf2 h ALA 304 CO 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.72 1sf2 h VAL 306 N -0.39 1.17 -0.47 0.00 -1.51 -1.49 0.22 116.25 113.78 1sf2 h VAL 306 Ca -0.02 -0.76 -0.05 0.00 -1.23 0.00 0.00 66.70 64.64 1sf2 h VAL 306 Cb 0.31 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.76 1sf2 h VAL 306 CO 0.03 0.23 0.11 0.00 -1.23 0.00 0.00 177.57 176.71 1sf2 h ALA 307 N 1.72 0.62 -0.35 5.19 0.00 -1.17 0.04 119.26 125.31 1sf2 h ALA 307 Ca 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1sf2 h ALA 307 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sf2 h ALA 307 CO 0.03 0.31 0.07 0.00 0.00 0.00 0.00 179.25 179.65 1sf2 h ALA 308 N 0.97 0.47 -0.55 0.00 0.00 0.15 0.14 119.26 120.44 1sf2 h ALA 308 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sf2 h ALA 308 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1sf2 h ALA 308 CO 0.00 0.16 0.36 -0.07 0.00 0.00 0.00 179.25 179.71 1sf2 h LEU 309 N 0.42 0.63 -0.14 0.00 3.38 -0.45 -1.88 115.31 117.27 1sf2 h LEU 309 Ca 0.11 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 1sf2 h LEU 309 Cb 0.34 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1sf2 h LEU 309 CO 0.01 0.46 -0.94 -0.08 0.09 0.00 0.00 178.44 177.98 1sf2 h GLU 310 N 0.74 0.53 -0.72 1.13 4.57 -0.55 -2.86 114.58 117.42 1sf2 h GLU 310 Ca 0.20 -0.55 0.02 0.00 -1.18 0.00 0.00 59.36 57.85 1sf2 h GLU 310 Cb -0.08 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1sf2 h GLU 310 CO -0.04 1.17 0.48 0.28 -1.18 0.00 0.00 179.01 179.72 1sf2 h VAL 311 N 0.31 1.15 -0.28 0.32 2.07 -0.11 0.64 116.25 120.37 1sf2 h VAL 311 Ca -0.09 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 66.95 1sf2 h VAL 311 Cb 1.57 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1sf2 h VAL 311 CO 0.17 0.17 -0.49 -0.07 0.02 0.00 0.00 177.57 177.37 1sf2 h LEU 312 N 0.94 0.83 -0.55 2.57 3.38 -1.31 -1.30 115.31 119.86 1sf2 h LEU 312 Ca 0.28 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1sf2 h LEU 312 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1sf2 h LEU 312 CO -0.07 1.18 0.13 0.11 0.09 0.00 0.00 178.44 179.87 1sf2 h LYS 313 N 0.60 0.88 -0.65 1.13 1.57 -1.13 -2.49 116.57 116.48 1sf2 h LYS 313 Ca 0.03 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1sf2 h LYS 313 Cb 1.06 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 1sf2 h LYS 313 CO 0.10 0.83 0.43 0.28 -0.57 0.00 0.00 179.45 180.52 1sf2 h VAL 314 N 0.78 1.15 -0.89 0.50 2.07 -0.73 0.19 116.25 119.32 1sf2 h VAL 314 Ca 0.17 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1sf2 h VAL 314 Cb 0.35 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1sf2 h VAL 314 CO 0.00 0.16 0.55 -0.26 0.02 0.00 0.00 177.57 178.05 1sf2 h PHE 315 N 0.87 1.02 0.02 1.57 -1.00 -0.93 0.21 116.94 118.70 1sf2 h PHE 315 Ca 0.24 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.05 1sf2 h PHE 315 Cb -0.08 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.15 1sf2 h PHE 315 CO -0.03 0.52 -0.01 1.49 -1.61 0.00 0.00 178.31 178.67 1sf2 h GLU 316 N 1.00 -0.02 -0.27 1.51 4.57 -0.95 -2.18 114.58 118.24 1sf2 h GLU 316 Ca 0.39 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.52 1sf2 h GLU 316 Cb 0.18 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1sf2 h GLU 316 CO -0.18 0.69 -0.04 1.96 -1.18 0.00 0.00 179.01 180.26 1sf2 h GLN 317 N -0.78 0.41 -0.47 1.92 4.20 -0.50 -2.97 115.11 116.91 1sf2 h GLN 317 Ca -0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1sf2 h GLN 317 Cb 0.72 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1sf2 h GLN 317 CO 0.00 0.47 0.00 0.39 -0.67 0.00 0.00 178.83 179.02 1sf2 n GLU 318 N -4.29 3.57 -4.23 1.46 1.02 0.73 -4.98 120.64 113.92 1sf2 n GLU 318 Ca 0.01 -2.80 -0.31 0.00 -0.02 0.00 0.00 57.16 54.04 1sf2 n GLU 318 Cb 0.24 -1.85 -0.09 0.00 -0.02 0.00 0.00 31.44 29.73 1sf2 n GLU 318 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sf2 n ASN 319 N 0.45 0.46 0.25 1.62 3.02 -0.97 -4.83 115.26 115.25 1sf2 n ASN 319 Ca 0.23 -1.23 0.11 0.00 -0.03 0.00 0.00 54.58 53.65 1sf2 n ASN 319 Cb 0.87 -1.53 0.62 0.00 -0.61 0.00 0.00 39.78 39.14 1sf2 n ASN 319 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1sf2 h LEU 320 N -1.76 0.00 -0.62 3.41 3.38 -1.65 -2.35 115.31 115.71 1sf2 h LEU 320 Ca -0.64 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.23 1sf2 h LEU 320 Cb 1.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1sf2 h LEU 320 CO 0.67 0.17 -0.00 -0.07 0.09 0.00 0.00 178.44 179.29 1sf2 h LEU 321 N 0.00 1.06 -0.08 1.67 3.38 -1.86 0.17 115.31 119.66 1sf2 h LEU 321 Ca -0.00 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1sf2 h LEU 321 Cb 0.49 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1sf2 h LEU 321 CO 0.02 1.11 -0.09 -0.61 0.09 0.00 0.00 178.44 178.96 1sf2 h GLN 322 N 0.99 0.20 -0.01 1.13 5.75 -1.76 -2.75 115.11 118.67 1sf2 h GLN 322 Ca 0.17 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1sf2 h GLN 322 Cb 0.56 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 1sf2 h GLN 322 CO 0.03 0.65 0.01 0.87 -2.65 0.00 0.00 178.83 177.74 1sf2 h LYS 323 N -0.23 0.00 0.23 1.69 1.57 -1.32 -1.70 116.57 116.81 1sf2 h LYS 323 Ca 0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1sf2 h LYS 323 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1sf2 h LYS 323 CO 0.02 0.00 -0.11 0.00 -0.57 0.00 0.00 179.45 178.79 1sf2 h ALA 324 N 2.00 -0.31 -0.76 3.86 0.00 -0.45 0.65 119.26 124.25 1sf2 h ALA 324 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1sf2 h ALA 324 Cb 0.02 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1sf2 h ALA 324 CO -0.00 -0.61 0.48 -0.91 0.00 0.00 0.00 179.25 178.21 1sf2 h ASN 325 N -0.43 0.80 -0.45 0.00 2.35 -1.05 0.59 115.58 117.39 1sf2 h ASN 325 Ca -0.03 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 1sf2 h ASN 325 Cb 0.33 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1sf2 h ASN 325 CO 0.05 0.56 -0.24 0.44 -1.65 0.00 0.00 177.43 176.59 1sf2 h ASP 326 N 0.95 0.99 -0.53 5.81 3.32 -1.28 -1.01 116.42 124.68 1sf2 h ASP 326 Ca 0.30 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.94 1sf2 h ASP 326 Cb -0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1sf2 h ASP 326 CO -0.10 1.19 0.35 0.25 -1.72 0.00 0.00 179.24 179.20 1sf2 h LEU 327 N 0.80 0.60 -0.50 1.55 5.85 -0.43 0.15 115.31 123.33 1sf2 h LEU 327 Ca 0.10 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1sf2 h LEU 327 Cb 0.82 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1sf2 h LEU 327 CO 0.07 0.44 0.24 1.23 -0.34 0.00 0.00 178.44 180.08 1sf2 h GLY 328 N 0.71 0.70 0.85 3.75 0.00 -0.64 -0.41 103.07 108.02 1sf2 h GLY 328 Ca 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1sf2 h GLY 328 CO -0.04 0.10 0.04 -1.61 0.00 0.00 0.00 176.54 175.02 1sf2 h GLN 329 N 0.48 0.33 -0.86 4.80 5.75 -0.34 -1.31 115.11 123.96 1sf2 h GLN 329 Ca 0.22 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1sf2 h GLN 329 Cb 0.15 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1sf2 h GLN 329 CO -0.17 0.47 0.56 0.87 -2.65 0.00 0.00 178.83 177.92 1sf2 h LYS 330 N 0.14 1.13 -0.05 1.69 1.57 -0.48 -1.41 116.57 119.15 1sf2 h LYS 330 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1sf2 h LYS 330 Cb 0.30 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1sf2 h LYS 330 CO 0.00 0.75 0.00 -0.07 -0.57 0.00 0.00 179.45 179.56 1sf2 h LEU 331 N 1.16 0.09 -0.64 2.94 3.38 -0.87 -2.45 115.31 118.93 1sf2 h LEU 331 Ca 0.31 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1sf2 h LEU 331 Cb -0.13 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1sf2 h LEU 331 CO -0.07 0.37 0.41 0.11 0.09 0.00 0.00 178.44 179.35 1sf2 h LYS 332 N -0.19 0.80 -0.34 1.13 1.57 -1.02 -0.08 116.57 118.44 1sf2 h LYS 332 Ca 0.02 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1sf2 h LYS 332 Cb 0.32 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1sf2 h LYS 332 CO 0.00 0.53 0.15 -0.44 -0.57 0.00 0.00 179.45 179.12 1sf2 h ASP 333 N 0.83 0.20 0.41 0.86 3.32 -1.23 0.52 116.42 121.33 1sf2 h ASP 333 Ca 0.24 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 1sf2 h ASP 333 Cb -0.05 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1sf2 h ASP 333 CO -0.07 0.15 -0.47 1.23 -1.72 0.00 0.00 179.24 178.37 1sf2 h GLY 334 N 0.31 0.08 1.49 2.75 0.00 -1.17 -0.61 103.07 105.92 1sf2 h GLY 334 Ca 0.15 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 47.17 1sf2 h GLY 334 CO -0.13 0.07 -0.95 1.41 0.00 0.00 0.00 176.54 176.95 1sf2 h LEU 335 N 0.06 0.59 -0.83 3.11 3.38 -0.30 -1.88 115.31 119.44 1sf2 h LEU 335 Ca 0.00 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.39 1sf2 h LEU 335 Cb 0.85 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1sf2 h LEU 335 CO 0.06 1.27 -0.33 -0.07 0.09 0.00 0.00 178.44 179.46 1sf2 h LEU 336 N 0.26 0.50 -0.15 1.67 3.38 0.19 0.67 115.31 121.83 1sf2 h LEU 336 Ca -0.08 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1sf2 h LEU 336 Cb 1.58 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1sf2 h LEU 336 CO 0.17 0.80 0.06 0.00 0.09 0.00 0.00 178.44 179.57 1sf2 h ALA 337 N 1.23 0.17 -0.33 1.53 0.00 -0.94 -1.94 119.26 118.99 1sf2 h ALA 337 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1sf2 h ALA 337 Cb 0.78 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1sf2 h ALA 337 CO 0.06 -0.37 -0.11 0.82 0.00 0.00 0.00 179.25 179.65 1sf2 h ILE 338 N 0.15 1.23 -0.19 0.00 2.04 -1.05 -2.85 117.51 116.84 1sf2 h ILE 338 Ca 0.06 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.90 1sf2 h ILE 338 Cb 0.03 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1sf2 h ILE 338 CO -0.06 0.34 0.13 0.00 0.00 0.00 0.00 178.15 178.56 1sf2 h ALA 339 N 1.37 1.94 0.00 1.87 0.00 -0.11 -1.70 119.26 122.62 1sf2 h ALA 339 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1sf2 h ALA 339 Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1sf2 h ALA 339 CO 0.03 0.04 -0.15 0.93 0.00 0.00 0.00 179.25 180.10 1sf2 h GLU 340 N 0.20 0.00 0.00 0.00 5.08 -1.18 -2.50 114.58 116.18 1sf2 h GLU 340 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1sf2 h GLU 340 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1sf2 h GLU 340 CO -0.01 0.15 -1.06 1.17 -1.00 0.00 0.00 179.01 178.25 1sf2 n LYS 341 N -3.73 0.19 -3.65 2.33 4.81 -0.67 -4.82 118.16 112.61 1sf2 n LYS 341 Ca -0.02 -0.02 -0.28 0.00 -0.87 0.00 0.00 58.31 57.12 1sf2 n LYS 341 Cb 0.26 -1.54 -0.16 0.00 0.02 0.00 0.00 35.03 33.61 1sf2 n LYS 341 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1sf2 s HIS 342 N -3.14 0.82 0.58 5.64 3.76 -0.94 -5.00 115.29 117.02 1sf2 s HIS 342 Ca 0.05 -0.97 0.27 0.00 -0.15 0.00 0.00 55.06 54.26 1sf2 s HIS 342 Cb 0.15 -1.09 1.72 0.00 1.11 0.00 0.00 32.58 34.48 1sf2 s HIS 342 CO 0.83 -0.72 2.22 -1.35 -0.85 0.00 0.00 174.74 174.87 1sf2 h PRO 343 N 8.29 0.00 -0.94 8.40 0.11 -1.88 -2.55 132.00 143.44 1sf2 h PRO 343 Ca -0.17 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.17 1sf2 h PRO 343 Cb 1.07 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 1sf2 h PRO 343 CO 0.39 0.00 0.62 0.93 -0.21 0.00 0.00 178.00 179.73 1sf2 h GLU 344 N 0.00 0.34 -5.93 1.05 3.07 -1.90 -3.29 114.58 107.91 1sf2 h GLU 344 Ca 0.01 -0.02 -0.51 0.00 -0.50 0.00 0.00 59.36 58.34 1sf2 h GLU 344 Cb 0.06 -0.08 -0.08 0.00 -0.84 0.00 0.00 28.75 27.81 1sf2 h GLU 344 CO -0.00 0.23 1.34 0.42 -1.40 0.00 0.00 179.01 179.60 1sf2 s ILE 345 N -5.38 3.79 -2.14 3.13 1.01 -0.96 -0.08 121.20 120.57 1sf2 s ILE 345 Ca -0.08 -0.79 0.27 0.00 0.00 0.00 0.00 60.65 60.05 1sf2 s ILE 345 Cb 0.23 -4.76 0.71 0.00 0.01 0.00 0.00 42.46 38.66 1sf2 s ILE 345 CO 0.79 -1.62 1.96 0.61 0.00 0.00 0.00 174.94 176.67 1sf2 n GLY 346 N 6.65 -0.66 3.65 6.18 0.00 -0.84 -4.87 105.19 115.29 1sf2 n GLY 346 Ca 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1sf2 n GLY 346 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sf2 s ASP 347 N -1.88 -0.23 -0.13 1.61 2.15 -1.24 -4.97 116.67 111.98 1sf2 s ASP 347 Ca 0.40 0.39 0.02 0.00 0.43 0.00 0.00 52.55 53.80 1sf2 s ASP 347 Cb 0.20 0.85 0.01 0.00 -0.30 0.00 0.00 42.92 43.68 1sf2 s ASP 347 CO 0.32 -0.06 -0.20 -0.69 -0.17 0.00 0.00 175.17 174.36 1sf2 s VAL 348 N 0.79 1.93 0.28 1.11 1.01 -1.26 -1.65 120.40 122.60 1sf2 s VAL 348 Ca -0.03 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 1sf2 s VAL 348 Cb -0.04 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1sf2 s VAL 348 CO -0.12 0.52 0.47 0.00 0.00 0.00 0.00 175.10 175.97 1sf2 s ARG 349 N 0.84 1.68 0.00 2.72 1.70 -0.32 -5.02 118.95 120.54 1sf2 s ARG 349 Ca -0.07 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 53.73 1sf2 s ARG 349 Cb -0.15 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.68 1sf2 s ARG 349 CO -0.02 -0.69 0.00 0.41 -1.08 0.00 0.00 175.30 173.92 1sf2 n GLY 350 N -0.44 4.68 3.77 3.88 0.00 -1.26 -1.35 105.19 114.46 1sf2 n GLY 350 Ca -0.01 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 1sf2 n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sf2 s LEU 351 N 0.00 4.12 0.00 0.99 1.43 -1.22 -4.92 118.68 119.08 1sf2 s LEU 351 Ca 0.00 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1sf2 s LEU 351 Cb 0.00 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1sf2 s LEU 351 CO 0.00 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1sf2 n GLY 352 N 2.68 3.43 1.58 -3.19 0.00 -1.07 -1.20 105.19 107.42 1sf2 n GLY 352 Ca -0.18 0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1sf2 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf2 n ALA 353 N 11.07 3.50 -2.96 4.61 0.00 0.93 -3.78 120.51 133.87 1sf2 n ALA 353 Ca 0.00 -1.94 -0.43 0.00 0.00 0.00 0.00 53.44 51.06 1sf2 n ALA 353 Cb 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1sf2 n ALA 353 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1sf2 n MET 354 N 0.44 4.02 -3.91 0.00 0.00 -0.34 -4.72 117.12 112.61 1sf2 n MET 354 Ca 0.26 -4.30 -0.34 0.00 0.00 0.00 0.00 57.70 53.32 1sf2 n MET 354 Cb 1.06 -2.64 -0.05 0.00 0.00 0.00 0.00 33.22 31.59 1sf2 n MET 354 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1sf2 s ILE 355 N -1.51 5.42 0.16 1.12 -1.09 -1.25 -3.42 121.20 120.62 1sf2 s ILE 355 Ca 0.34 -0.12 -0.19 0.00 -2.23 0.00 0.00 60.65 58.45 1sf2 s ILE 355 Cb 0.01 -3.50 0.05 0.00 -1.58 0.00 0.00 42.46 37.43 1sf2 s ILE 355 CO 0.04 0.37 0.50 0.00 -1.23 0.00 0.00 174.94 174.62 1sf2 s ALA 356 N -1.28 -1.17 0.03 9.38 0.00 -0.46 -0.95 121.76 127.32 1sf2 s ALA 356 Ca 0.25 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.34 1sf2 s ALA 356 Cb -0.13 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1sf2 s ALA 356 CO 0.16 -0.73 -0.10 0.96 0.00 0.00 0.00 175.76 176.05 1sf2 s ILE 357 N -3.80 0.78 -0.03 0.00 -4.36 -0.39 -1.18 121.20 112.22 1sf2 s ILE 357 Ca 0.04 -0.90 0.05 0.00 -0.26 0.00 0.00 60.65 59.58 1sf2 s ILE 357 Cb 0.00 -0.75 -0.02 0.00 1.25 0.00 0.00 42.46 42.94 1sf2 s ILE 357 CO -0.10 -0.13 -0.18 -0.70 0.24 0.00 0.00 174.94 174.07 1sf2 s GLU 358 N -1.15 2.34 -0.11 0.37 2.12 -0.66 -0.30 118.70 121.31 1sf2 s GLU 358 Ca -0.03 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 1sf2 s GLU 358 Cb -0.08 -2.26 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 1sf2 s GLU 358 CO 0.01 0.60 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.76 1sf2 s LEU 359 N -0.78 3.22 0.13 2.70 1.43 0.42 -1.99 118.68 123.81 1sf2 s LEU 359 Ca 0.11 -0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1sf2 s LEU 359 Cb -0.10 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1sf2 s LEU 359 CO 0.01 0.28 -0.16 -0.36 0.23 0.00 0.00 176.35 176.34 1sf2 s PHE 360 N -0.28 1.54 -0.35 0.29 0.40 0.89 -0.80 117.98 119.67 1sf2 s PHE 360 Ca 0.04 -0.52 -0.29 0.00 -0.60 0.00 0.00 56.93 55.57 1sf2 s PHE 360 Cb -0.13 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.61 1sf2 s PHE 360 CO 0.02 0.20 1.27 -1.21 0.70 0.00 0.00 175.22 176.21 1sf2 s GLU 361 N -2.60 3.84 -1.22 0.44 2.02 0.13 -3.53 118.70 117.78 1sf2 s GLU 361 Ca 0.10 1.08 -0.02 0.00 0.02 0.00 0.00 54.97 56.15 1sf2 s GLU 361 Cb -0.06 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.27 1sf2 s GLU 361 CO 0.04 -1.21 0.85 -0.25 0.02 0.00 0.00 175.26 174.70 1sf2 n ASP 362 N 7.79 -2.49 -0.17 -0.19 9.92 -1.26 -1.93 116.55 128.22 1sf2 n ASP 362 Ca 0.14 -0.74 -0.01 0.00 -0.53 0.00 0.00 54.79 53.65 1sf2 n ASP 362 Cb 0.47 -4.57 -0.00 0.00 -0.64 0.00 0.00 41.12 36.38 1sf2 n ASP 362 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sf2 n GLY 363 N -1.37 0.08 3.56 0.44 0.00 -1.23 -4.83 105.19 101.84 1sf2 n GLY 363 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1sf2 n GLY 363 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sf2 s ASP 364 N -0.70 6.09 0.00 1.61 -1.08 -0.81 -4.86 116.67 116.91 1sf2 s ASP 364 Ca 0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 1sf2 s ASP 364 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1sf2 s ASP 364 CO 0.00 -1.84 0.59 1.41 0.52 0.00 0.00 175.17 175.86 1sf2 n HIS 365 N 9.69 0.00 0.90 -5.34 8.25 -1.26 0.08 115.22 127.54 1sf2 n HIS 365 Ca 0.07 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.62 1sf2 n HIS 365 Cb 0.49 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.32 1sf2 n HIS 365 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1sf2 n ASN 366 N -1.09 0.90 -3.98 0.41 4.13 -1.26 -4.71 115.26 109.65 1sf2 n ASN 366 Ca 0.00 -0.95 -0.34 0.00 1.68 0.00 0.00 54.58 54.97 1sf2 n ASN 366 Cb 0.08 1.00 -0.07 0.00 -1.54 0.00 0.00 39.78 39.25 1sf2 n ASN 366 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1sf2 n LYS 367 N -1.45 2.64 -1.65 3.52 5.02 0.11 -5.06 118.16 121.29 1sf2 n LYS 367 Ca 0.04 -4.51 -0.44 0.00 -2.02 0.00 0.00 58.31 51.37 1sf2 n LYS 367 Cb 0.30 -2.38 -0.04 0.00 -0.02 0.00 0.00 35.03 32.89 1sf2 n LYS 367 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1sf2 n PRO 368 N 1.99 2.53 -2.36 1.97 -0.02 -1.26 0.20 135.00 138.05 1sf2 n PRO 368 Ca 0.23 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 62.18 1sf2 n PRO 368 Cb 0.37 -2.94 0.00 0.00 -0.02 0.00 0.00 33.50 30.91 1sf2 n PRO 368 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sf2 n ASP 369 N 8.00 4.74 -0.11 2.55 -0.08 0.02 -4.75 116.55 126.93 1sf2 n ASP 369 Ca 0.23 -2.96 -0.05 0.00 -1.51 0.00 0.00 54.79 50.49 1sf2 n ASP 369 Cb 0.38 -1.61 0.14 0.00 2.34 0.00 0.00 41.12 42.37 1sf2 n ASP 369 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sf2 h ALA 370 N 6.54 1.04 -0.40 -1.67 0.00 -1.80 -2.40 119.26 120.56 1sf2 h ALA 370 Ca 0.44 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1sf2 h ALA 370 Cb 0.74 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1sf2 h ALA 370 CO 1.58 0.59 0.21 0.87 0.00 0.00 0.00 179.25 182.50 1sf2 h LYS 371 N 0.73 0.55 -0.56 0.00 1.57 -1.89 -1.20 116.57 115.77 1sf2 h LYS 371 Ca 0.13 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1sf2 h LYS 371 Cb 0.52 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1sf2 h LYS 371 CO 0.03 0.46 0.26 1.25 -0.57 0.00 0.00 179.45 180.87 1sf2 h LEU 372 N 0.51 0.75 -0.14 2.94 5.85 -1.93 -1.11 115.31 122.17 1sf2 h LEU 372 Ca 0.14 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1sf2 h LEU 372 Cb 0.07 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1sf2 h LEU 372 CO -0.02 0.68 -0.13 0.74 -0.34 0.00 0.00 178.44 179.37 1sf2 h THR 373 N 0.76 0.64 -0.98 1.05 2.02 -1.09 0.25 112.91 115.57 1sf2 h THR 373 Ca 0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1sf2 h THR 373 Cb 0.14 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 1sf2 h THR 373 CO -0.02 0.00 0.63 0.00 0.37 0.00 0.00 175.52 176.50 1sf2 h ALA 374 N 0.94 1.32 -0.56 6.16 0.00 -0.96 -1.98 119.26 124.18 1sf2 h ALA 374 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sf2 h ALA 374 Cb 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1sf2 h ALA 374 CO -0.23 0.48 0.28 1.49 0.00 0.00 0.00 179.25 181.27 1sf2 h GLU 375 N 1.19 0.80 -0.60 0.00 4.81 -0.04 -1.33 114.58 119.42 1sf2 h GLU 375 Ca 0.40 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1sf2 h GLU 375 Cb 0.07 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1sf2 h GLU 375 CO -0.15 0.64 0.38 0.82 -0.73 0.00 0.00 179.01 179.98 1sf2 h ILE 376 N 0.76 1.17 -0.07 2.32 1.08 -0.36 0.18 117.51 122.58 1sf2 h ILE 376 Ca 0.19 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1sf2 h ILE 376 Cb 0.10 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 34.16 1sf2 h ILE 376 CO -0.03 0.17 0.04 0.58 -0.69 0.00 0.00 178.15 178.22 1sf2 h VAL 377 N 0.81 1.05 -0.47 1.67 2.07 -1.10 0.26 116.25 120.54 1sf2 h VAL 377 Ca 0.22 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1sf2 h VAL 377 Cb -0.06 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1sf2 h VAL 377 CO -0.04 0.05 0.27 0.00 0.02 0.00 0.00 177.57 177.86 1sf2 h ALA 378 N 0.98 0.60 -0.54 1.67 0.00 -0.95 -1.05 119.26 119.98 1sf2 h ALA 378 Ca 0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1sf2 h ALA 378 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sf2 h ALA 378 CO -0.00 -0.05 0.12 0.00 0.00 0.00 0.00 179.25 179.32 1sf2 h ARG 379 N 0.54 0.87 -0.79 0.00 3.08 -0.36 -2.42 114.38 115.30 1sf2 h ARG 379 Ca 0.19 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1sf2 h ARG 379 Cb 0.04 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1sf2 h ARG 379 CO -0.10 0.82 0.43 0.00 -1.07 0.00 0.00 179.97 180.05 1sf2 h ALA 380 N 1.01 1.28 -0.76 0.04 0.00 -0.13 -2.14 119.26 118.56 1sf2 h ALA 380 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1sf2 h ALA 380 Cb 0.35 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1sf2 h ALA 380 CO 0.00 0.59 0.40 -0.09 0.00 0.00 0.00 179.25 180.16 1sf2 h ARG 381 N 1.10 1.06 0.00 0.00 2.43 -0.91 0.12 114.38 118.18 1sf2 h ARG 381 Ca 0.28 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1sf2 h ARG 381 Cb 0.02 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1sf2 h ARG 381 CO -0.05 0.79 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.70 1sf2 h ASP 382 N 1.05 0.00 -0.53 -3.80 3.45 -0.92 -0.80 116.42 114.87 1sf2 h ASP 382 Ca 0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.72 1sf2 h ASP 382 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1sf2 h ASP 382 CO -0.04 0.07 0.00 0.29 -1.57 0.00 0.00 179.24 177.99 1sf2 n LYS 383 N -3.74 2.37 -0.84 3.56 5.02 -0.35 -4.94 118.16 119.24 1sf2 n LYS 383 Ca -0.02 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1sf2 n LYS 383 Cb 0.17 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1sf2 n LYS 383 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sf2 n GLY 384 N 1.45 0.52 3.30 0.72 0.00 -0.31 -4.99 105.19 105.89 1sf2 n GLY 384 Ca 0.20 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 1sf2 n GLY 384 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sf2 s LEU 385 N 0.00 2.77 -0.33 0.99 2.96 0.27 -0.13 118.68 125.22 1sf2 s LEU 385 Ca 0.00 -0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 53.30 1sf2 s LEU 385 Cb 0.00 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 1sf2 s LEU 385 CO 0.00 0.02 0.63 -0.63 -1.32 0.00 0.00 176.35 175.05 1sf2 s ILE 386 N 1.20 4.92 0.33 6.68 -1.09 -0.38 -2.72 121.20 130.15 1sf2 s ILE 386 Ca 0.02 0.73 0.05 0.00 -2.23 0.00 0.00 60.65 59.22 1sf2 s ILE 386 Cb -0.14 -4.03 -0.07 0.00 -1.58 0.00 0.00 42.46 36.64 1sf2 s ILE 386 CO -0.03 -0.21 0.03 -0.76 -1.23 0.00 0.00 174.94 172.75 1sf2 s LEU 387 N 2.64 2.33 0.02 2.97 1.43 -1.26 -1.32 118.68 125.48 1sf2 s LEU 387 Ca 0.25 -1.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.01 1sf2 s LEU 387 Cb -0.15 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1sf2 s LEU 387 CO 0.13 -0.55 -0.05 -0.76 0.23 0.00 0.00 176.35 175.36 1sf2 s LEU 388 N -3.51 2.16 0.56 1.79 1.43 -1.26 -4.93 118.68 114.92 1sf2 s LEU 388 Ca 0.35 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 53.15 1sf2 s LEU 388 Cb 0.08 -0.08 0.05 0.00 0.03 0.00 0.00 46.19 46.27 1sf2 s LEU 388 CO 0.15 -0.15 0.50 -0.94 0.23 0.00 0.00 176.35 176.14 1sf2 s SER 389 N -1.02 4.72 0.00 2.29 1.04 -1.26 -1.93 113.70 117.54 1sf2 s SER 389 Ca -0.08 -1.18 -0.07 0.00 0.48 0.00 0.00 55.95 55.10 1sf2 s SER 389 Cb -0.07 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1sf2 s SER 389 CO -0.00 -1.19 0.32 0.00 0.98 0.00 0.00 173.24 173.35 1sf2 n GLY 391 N -0.23 1.77 0.34 0.00 0.00 0.13 -2.16 105.19 105.04 1sf2 n GLY 391 Ca 0.01 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 44.61 1sf2 n GLY 391 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sf2 h PRO 392 N 0.00 0.00 -0.40 1.61 0.13 -1.76 -0.31 132.00 131.27 1sf2 h PRO 392 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1sf2 h PRO 392 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1sf2 h PRO 392 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 1sf2 n TYR 393 N -3.24 0.72 -1.85 1.56 0.53 -1.26 -4.97 117.16 108.65 1sf2 n TYR 393 Ca -0.00 -0.59 -0.15 0.00 -1.02 0.00 0.00 57.90 56.13 1sf2 n TYR 393 Cb 0.32 -0.11 -0.04 0.00 -1.03 0.00 0.00 39.34 38.48 1sf2 n TYR 393 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1sf2 n TYR 394 N 0.47 -0.68 -1.12 -0.72 4.02 -0.13 -4.44 117.16 114.56 1sf2 n TYR 394 Ca 0.16 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.08 1sf2 n TYR 394 Cb 0.59 -2.97 0.25 0.00 -0.02 0.00 0.00 39.34 37.20 1sf2 n TYR 394 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1sf2 n ASN 395 N -1.21 3.73 -4.24 7.72 6.94 -1.23 -4.56 115.26 122.42 1sf2 n ASN 395 Ca -0.16 -3.25 -0.33 0.00 -0.02 0.00 0.00 54.58 50.81 1sf2 n ASN 395 Cb 0.56 -0.61 -0.15 0.00 -2.36 0.00 0.00 39.78 37.21 1sf2 n ASN 395 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sf2 s VAL 396 N -2.97 2.56 -0.18 3.53 1.01 -0.92 -0.43 120.40 122.99 1sf2 s VAL 396 Ca 0.46 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1sf2 s VAL 396 Cb 0.38 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1sf2 s VAL 396 CO 0.08 0.52 0.26 -0.76 0.00 0.00 0.00 175.10 175.19 1sf2 s LEU 397 N 0.89 4.21 0.11 3.92 1.43 0.59 -0.53 118.68 129.31 1sf2 s LEU 397 Ca -0.04 0.41 0.10 0.00 -1.03 0.00 0.00 54.13 53.58 1sf2 s LEU 397 Cb -0.15 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1sf2 s LEU 397 CO -0.02 0.09 -0.26 0.00 0.23 0.00 0.00 176.35 176.39 1sf2 s ARG 398 N 0.62 1.43 -0.19 1.70 1.70 -0.81 -1.26 118.95 122.14 1sf2 s ARG 398 Ca 0.14 -1.27 -0.01 0.00 -0.47 0.00 0.00 55.73 54.13 1sf2 s ARG 398 Cb -0.13 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 32.43 1sf2 s ARG 398 CO 0.03 0.44 -0.13 0.42 -1.08 0.00 0.00 175.30 174.99 1sf2 s ILE 399 N -1.02 2.70 -0.16 4.99 1.01 -0.13 -4.14 121.20 124.47 1sf2 s ILE 399 Ca 0.12 -0.73 0.15 0.00 0.00 0.00 0.00 60.65 60.20 1sf2 s ILE 399 Cb -0.10 -2.18 0.43 0.00 0.01 0.00 0.00 42.46 40.62 1sf2 s ILE 399 CO 0.05 0.49 1.20 0.18 0.00 0.00 0.00 174.94 176.86 1sf2 n LEU 400 N 4.56 2.33 -4.75 2.97 4.77 0.80 -3.87 117.00 123.80 1sf2 n LEU 400 Ca -0.19 -3.40 -0.40 0.00 -0.03 0.00 0.00 56.01 51.99 1sf2 n LEU 400 Cb 0.51 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1sf2 n LEU 400 CO 0.28 1.18 1.03 0.55 -1.33 0.00 0.00 177.39 179.10 1sf2 n VAL 401 N -0.62 3.00 -1.55 4.08 3.14 -1.04 -3.57 118.33 121.78 1sf2 n VAL 401 Ca 0.16 -0.50 -0.44 0.00 -2.96 0.00 0.00 64.34 60.61 1sf2 n VAL 401 Cb 0.84 -1.77 -0.01 0.00 -1.06 0.00 0.00 33.84 31.84 1sf2 n VAL 401 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1sf2 n PRO 402 N -0.35 1.05 0.23 1.45 -0.02 -1.26 -4.83 135.00 131.28 1sf2 n PRO 402 Ca 0.06 0.37 0.16 0.00 -2.02 0.00 0.00 63.50 62.07 1sf2 n PRO 402 Cb 0.42 -1.73 0.66 0.00 -0.02 0.00 0.00 33.50 32.83 1sf2 n PRO 402 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1sf2 h LEU 403 N 1.54 0.00 -0.46 2.45 3.38 -0.96 -2.63 115.31 118.62 1sf2 h LEU 403 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1sf2 h LEU 403 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1sf2 h LEU 403 CO 0.57 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.45 1sf2 n THR 404 N -2.78 0.16 -1.73 0.22 -2.24 -1.23 -4.78 114.28 101.90 1sf2 n THR 404 Ca 0.01 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.26 1sf2 n THR 404 Cb 0.25 0.05 0.06 0.00 -2.10 0.00 0.00 70.33 68.60 1sf2 n THR 404 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sf2 n ILE 405 N -0.15 4.63 -3.06 2.28 3.06 -0.99 -4.93 119.36 120.18 1sf2 n ILE 405 Ca 0.04 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.42 1sf2 n ILE 405 Cb 0.11 -1.53 -0.06 0.00 0.54 0.00 0.00 39.64 38.70 1sf2 n ILE 405 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1sf2 s GLU 406 N -3.22 4.30 0.31 9.51 2.02 -1.26 -4.97 118.70 125.40 1sf2 s GLU 406 Ca 0.80 0.93 0.08 0.00 0.02 0.00 0.00 54.97 56.80 1sf2 s GLU 406 Cb -0.39 -2.90 0.84 0.00 0.10 0.00 0.00 34.13 31.77 1sf2 s GLU 406 CO 0.43 0.40 1.75 -0.44 0.02 0.00 0.00 175.26 177.41 1sf2 h ASP 407 N 3.47 0.71 0.06 -0.19 3.32 -2.00 0.59 116.42 122.38 1sf2 h ASP 407 Ca -0.48 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.60 1sf2 h ASP 407 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1sf2 h ASP 407 CO 0.65 0.17 -0.28 0.00 -1.72 0.00 0.00 179.24 178.06 1sf2 h ALA 408 N 1.70 1.19 -0.02 3.45 0.00 -2.00 -2.39 119.26 121.18 1sf2 h ALA 408 Ca 0.62 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1sf2 h ALA 408 Cb 1.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1sf2 h ALA 408 CO -0.44 0.53 -0.56 1.96 0.00 0.00 0.00 179.25 180.74 1sf2 h GLN 409 N 0.31 0.07 0.15 0.00 4.20 -1.30 0.20 115.11 118.75 1sf2 h GLN 409 Ca 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1sf2 h GLN 409 Cb 0.66 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1sf2 h GLN 409 CO 0.05 0.61 -0.07 0.82 -0.67 0.00 0.00 178.83 179.57 1sf2 h ILE 410 N 0.06 0.94 -0.43 2.54 2.04 -0.90 0.47 117.51 122.22 1sf2 h ILE 410 Ca -0.00 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1sf2 h ILE 410 Cb 1.00 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1sf2 h ILE 410 CO 0.08 0.08 0.27 0.03 0.00 0.00 0.00 178.15 178.61 1sf2 h ARG 411 N -0.36 0.54 -0.40 2.37 3.08 -1.29 -1.12 114.38 117.19 1sf2 h ARG 411 Ca -0.02 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1sf2 h ARG 411 Cb 0.29 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1sf2 h ARG 411 CO 0.03 0.36 0.06 0.37 -1.07 0.00 0.00 179.97 179.72 1sf2 h GLN 412 N 0.55 0.17 0.08 0.04 4.15 -0.28 0.04 115.11 119.87 1sf2 h GLN 412 Ca 0.16 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 1sf2 h GLN 412 Cb -0.04 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1sf2 h GLN 412 CO -0.05 0.11 -0.04 0.78 -1.93 0.00 0.00 178.83 177.70 1sf2 h GLY 413 N 0.18 -0.12 0.85 2.39 0.00 0.39 -2.17 103.07 104.59 1sf2 h GLY 413 Ca 0.20 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.60 1sf2 h GLY 413 CO -0.28 -0.04 0.41 1.41 0.00 0.00 0.00 176.54 178.04 1sf2 h LEU 414 N -0.14 0.67 -0.34 3.11 3.38 -0.87 -1.56 115.31 119.56 1sf2 h LEU 414 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1sf2 h LEU 414 Cb 0.11 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1sf2 h LEU 414 CO 0.02 0.46 -0.02 -0.08 0.09 0.00 0.00 178.44 178.90 1sf2 h GLU 415 N 0.80 0.07 -0.58 1.13 4.22 -0.82 0.16 114.58 119.56 1sf2 h GLU 415 Ca 0.27 -0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.75 1sf2 h GLU 415 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1sf2 h GLU 415 CO -0.11 0.04 0.33 0.82 -2.18 0.00 0.00 179.01 177.91 1sf2 h ILE 416 N 0.07 1.01 -0.64 2.32 2.04 -0.76 0.63 117.51 122.19 1sf2 h ILE 416 Ca 0.17 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1sf2 h ILE 416 Cb 0.24 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1sf2 h ILE 416 CO -0.30 0.12 0.26 0.40 0.00 0.00 0.00 178.15 178.63 1sf2 h ILE 417 N 0.64 1.23 0.52 -0.67 2.04 -0.42 -0.76 117.51 120.09 1sf2 h ILE 417 Ca 0.25 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1sf2 h ILE 417 Cb 0.09 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1sf2 h ILE 417 CO -0.14 0.29 -0.48 -1.28 0.00 0.00 0.00 178.15 176.54 1sf2 h SER 418 N 0.90 -1.29 -0.98 1.72 0.87 0.06 -1.78 113.55 113.05 1sf2 h SER 418 Ca 0.21 0.10 0.21 0.00 -1.23 0.00 0.00 61.79 61.08 1sf2 h SER 418 Cb 0.20 0.42 -0.11 0.00 -0.44 0.00 0.00 62.40 62.46 1sf2 h SER 418 CO -0.02 -0.65 0.58 1.56 -0.53 0.00 0.00 176.83 177.76 1sf2 h GLN 419 N -0.99 0.65 -0.32 2.24 4.20 -0.72 -0.57 115.11 119.61 1sf2 h GLN 419 Ca -0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1sf2 h GLN 419 Cb 0.85 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1sf2 h GLN 419 CO -0.04 0.43 0.17 0.00 -0.67 0.00 0.00 178.83 178.72 1sf2 h PHE 421 N 0.39 1.07 0.24 0.00 -1.00 -0.40 -0.33 116.94 116.90 1sf2 h PHE 421 Ca 0.11 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 1sf2 h PHE 421 Cb 0.07 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.37 1sf2 h PHE 421 CO -0.03 1.01 -0.11 -0.44 -1.61 0.00 0.00 178.31 177.13 1sf2 h ASP 422 N 0.85 -0.27 0.28 2.17 3.32 -0.95 -1.27 116.42 120.56 1sf2 h ASP 422 Ca 0.13 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1sf2 h ASP 422 Cb 0.67 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1sf2 h ASP 422 CO 0.05 -0.09 -0.28 -0.33 -1.72 0.00 0.00 179.24 176.86 1sf2 h GLU 423 N -0.43 0.00 0.44 3.56 5.08 -0.98 -3.00 114.58 119.26 1sf2 h GLU 423 Ca -0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1sf2 h GLU 423 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1sf2 h GLU 423 CO 0.05 0.29 -0.21 0.00 -1.00 0.00 0.00 179.01 178.14 1sf2 h ALA 424 N 1.71 -0.59 -0.43 3.43 0.00 -0.89 -3.18 119.26 119.32 1sf2 h ALA 424 Ca -0.00 -0.19 -0.73 0.00 0.00 0.00 0.00 54.91 53.99 1sf2 h ALA 424 Cb 0.50 0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 1sf2 h ALA 424 CO 0.04 -0.63 2.62 1.17 0.00 0.00 0.00 179.25 182.45 1sf2 n LYS 425 N -5.20 3.24 0.00 0.00 4.81 -0.49 -5.10 118.16 115.43 1sf2 n LYS 425 Ca -0.10 -3.04 0.00 0.00 -0.87 0.00 0.00 58.31 54.31 1sf2 n LYS 425 Cb 0.29 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 32.23 1sf2 n LYS 425 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51