#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x31 s ASP 2 N 0.00 0.01 -0.15 0.00 1.11 -1.26 -4.99 116.67 111.40 1x31 s ASP 2 Ca 0.00 -0.00 0.16 0.00 0.18 0.00 0.00 52.55 52.88 1x31 s ASP 2 Cb 0.00 -0.00 0.59 0.00 1.07 0.00 0.00 42.92 44.57 1x31 s ASP 2 CO 0.00 0.00 1.50 0.18 1.18 0.00 0.00 175.17 178.03 1x31 n LEU 3 N 3.07 4.25 -4.86 1.23 4.77 -1.26 -4.98 117.00 119.21 1x31 n LEU 3 Ca -0.12 -2.73 -0.31 0.00 -0.03 0.00 0.00 56.01 52.82 1x31 n LEU 3 Cb 0.60 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1x31 n LEU 3 CO 0.26 0.70 0.50 -0.76 -1.33 0.00 0.00 177.39 176.76 1x31 s LEU 4 N -2.33 3.81 0.65 2.23 1.43 -1.26 -5.06 118.68 118.15 1x31 s LEU 4 Ca 0.43 1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 54.64 1x31 s LEU 4 Cb 0.32 -4.15 -0.00 0.00 0.03 0.00 0.00 46.19 42.39 1x31 s LEU 4 CO 0.14 -0.42 1.12 -2.16 0.23 0.00 0.00 176.35 175.26 1x31 s PRO 5 N -3.80 2.80 -0.05 1.29 0.04 -1.26 -4.41 135.00 129.60 1x31 s PRO 5 Ca 0.54 1.46 0.08 0.00 0.04 0.00 0.00 61.00 63.11 1x31 s PRO 5 Cb -0.10 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 1x31 s PRO 5 CO 0.30 -1.26 0.09 0.39 0.04 0.00 0.00 177.00 176.55 1x31 n GLU 6 N -2.32 1.77 -3.38 4.56 1.02 -1.26 -0.69 120.64 120.35 1x31 n GLU 6 Ca 0.11 -0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.96 1x31 n GLU 6 Cb 0.52 -1.20 -0.09 0.00 -0.02 0.00 0.00 31.44 30.65 1x31 n GLU 6 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1x31 n HIS 7 N -2.10 0.27 -1.60 -0.32 8.25 -1.26 -4.93 115.22 113.53 1x31 n HIS 7 Ca -0.09 -3.61 -0.43 0.00 -0.26 0.00 0.00 57.72 53.34 1x31 n HIS 7 Cb 0.55 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1x31 n HIS 7 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1x31 n PRO 8 N 1.97 1.35 0.15 -0.41 -0.02 -1.26 -4.87 135.00 131.91 1x31 n PRO 8 Ca 0.25 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 1x31 n PRO 8 Cb 0.48 -1.96 0.50 0.00 -0.02 0.00 0.00 33.50 32.50 1x31 n PRO 8 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1x31 h GLU 9 N 1.70 0.00 -3.45 -0.52 4.81 -2.02 -3.42 114.58 111.68 1x31 h GLU 9 Ca -0.43 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.53 1x31 h GLU 9 Cb 1.34 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.39 1x31 h GLU 9 CO 0.58 0.00 -0.69 0.12 -0.73 0.00 0.00 179.01 178.29 1x31 s PHE 10 N -3.33 -0.03 -0.04 0.92 5.36 -1.26 -5.06 117.98 114.54 1x31 s PHE 10 Ca 0.05 0.23 -0.05 0.00 -0.96 0.00 0.00 56.93 56.20 1x31 s PHE 10 Cb 0.10 -0.17 -0.03 0.00 -0.34 0.00 0.00 43.02 42.57 1x31 s PHE 10 CO 0.45 -0.11 -0.11 1.28 -1.46 0.00 0.00 175.22 175.27 1x31 n LEU 11 N 4.11 1.01 -3.70 6.12 4.77 -1.26 -5.02 117.00 123.02 1x31 n LEU 11 Ca -0.26 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 1x31 n LEU 11 Cb 0.51 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1x31 n LEU 11 CO 0.21 -0.21 0.49 -1.66 -1.33 0.00 0.00 177.39 174.89 1x31 s TRP 12 N -2.23 -0.30 0.18 -1.77 -2.14 -1.26 -4.05 118.94 107.37 1x31 s TRP 12 Ca -0.11 -0.06 0.02 0.00 2.66 0.00 0.00 56.10 58.61 1x31 s TRP 12 Cb 0.03 0.65 -0.04 0.00 -3.10 0.00 0.00 33.47 31.01 1x31 s TRP 12 CO 0.15 -1.05 0.33 -0.80 -2.66 0.00 0.00 176.95 172.92 1x31 s ASN 13 N -2.85 6.35 -0.71 -2.66 0.01 -1.26 -5.06 114.94 108.75 1x31 s ASN 13 Ca 0.08 0.23 0.04 0.00 -0.71 0.00 0.00 52.86 52.50 1x31 s ASN 13 Cb -0.04 -1.93 0.23 0.00 0.41 0.00 0.00 41.25 39.92 1x31 s ASN 13 CO -0.00 0.01 0.75 0.59 -1.51 0.00 0.00 177.10 176.94 1x31 n ASN 14 N -0.69 3.86 -4.90 -1.22 5.03 -1.26 -4.67 115.26 111.42 1x31 n ASN 14 Ca -0.07 -3.37 -0.29 0.00 0.87 0.00 0.00 54.58 51.73 1x31 n ASN 14 Cb 0.54 -0.77 0.04 0.00 -1.02 0.00 0.00 39.78 38.57 1x31 n ASN 14 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1x31 s PRO 15 N -2.19 2.95 0.42 3.52 0.04 -1.26 -5.06 135.00 133.43 1x31 s PRO 15 Ca 0.35 0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.45 1x31 s PRO 15 Cb 0.08 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 1x31 s PRO 15 CO -0.05 -0.84 0.98 -1.21 0.04 0.00 0.00 177.00 175.93 1x31 s GLU 16 N -5.18 4.17 0.45 4.56 0.41 -1.26 -4.83 118.70 117.02 1x31 s GLU 16 Ca 0.56 1.26 -0.24 0.00 -0.41 0.00 0.00 54.97 56.13 1x31 s GLU 16 Cb -0.11 -2.30 -0.08 0.00 -1.78 0.00 0.00 34.13 29.87 1x31 s GLU 16 CO 0.49 -0.09 1.26 -1.25 -0.49 0.00 0.00 175.26 175.17 1x31 s PRO 17 N -2.94 3.76 0.75 0.39 0.04 -1.26 -5.02 135.00 130.71 1x31 s PRO 17 Ca 0.61 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.59 1x31 s PRO 17 Cb -0.14 -2.55 0.08 0.00 0.04 0.00 0.00 34.50 31.93 1x31 s PRO 17 CO 0.18 -0.62 1.08 0.15 0.04 0.00 0.00 177.00 177.82 1x31 s LYS 18 N -2.51 2.02 0.33 4.56 1.02 -1.26 -4.98 119.74 118.92 1x31 s LYS 18 Ca 0.62 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.43 1x31 s LYS 18 Cb -0.35 -2.10 0.58 0.00 -0.52 0.00 0.00 37.83 35.44 1x31 s LYS 18 CO 0.43 -1.41 1.92 -0.22 -0.92 0.00 0.00 175.35 175.15 1x31 h LYS 19 N -0.78 0.71 -3.04 1.68 3.64 -1.95 -3.45 116.57 113.37 1x31 h LYS 19 Ca -0.45 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1x31 h LYS 19 Cb 1.31 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1x31 h LYS 19 CO 0.60 0.59 0.21 -1.54 -2.27 0.00 0.00 179.45 177.04 1x31 s SER 20 N -6.61 -0.27 0.08 4.20 1.04 -1.26 -1.95 113.70 108.93 1x31 s SER 20 Ca -0.09 -0.59 -0.14 0.00 0.48 0.00 0.00 55.95 55.61 1x31 s SER 20 Cb 0.16 0.71 0.02 0.00 0.10 0.00 0.00 66.02 67.02 1x31 s SER 20 CO 0.77 -1.31 0.33 -0.31 0.98 0.00 0.00 173.24 173.70 1x31 s TYR 21 N -3.92 -0.11 0.21 5.02 2.02 -0.71 -4.95 117.35 114.93 1x31 s TYR 21 Ca 0.11 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 1x31 s TYR 21 Cb -0.05 0.14 0.17 0.00 -0.40 0.00 0.00 41.96 41.82 1x31 s TYR 21 CO 0.06 -0.60 1.51 -0.44 -1.57 0.00 0.00 175.55 174.51 1x31 h ASP 22 N 2.76 0.31 -3.46 2.29 3.32 -1.72 -2.83 116.42 117.09 1x31 h ASP 22 Ca -0.33 -0.19 -0.33 0.00 0.02 0.00 0.00 57.03 56.20 1x31 h ASP 22 Cb 1.22 -0.09 -0.35 0.00 0.22 0.00 0.00 39.33 40.33 1x31 h ASP 22 CO 0.48 0.89 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.46 1x31 s VAL 23 N -3.65 -0.01 -0.18 -1.35 1.01 -1.14 -1.16 120.40 113.93 1x31 s VAL 23 Ca -0.04 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1x31 s VAL 23 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.35 1x31 s VAL 23 CO 0.81 0.13 -0.13 -0.69 0.00 0.00 0.00 175.10 175.21 1x31 s VAL 24 N 1.34 2.75 -0.24 2.92 1.01 -0.19 -1.66 120.40 126.32 1x31 s VAL 24 Ca -0.06 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1x31 s VAL 24 Cb -0.13 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1x31 s VAL 24 CO -0.03 0.50 0.09 -0.63 0.00 0.00 0.00 175.10 175.03 1x31 s ILE 25 N 1.06 4.58 -0.48 2.22 1.01 0.49 -0.46 121.20 129.62 1x31 s ILE 25 Ca -0.01 -0.09 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 1x31 s ILE 25 Cb -0.15 -3.13 0.05 0.00 0.01 0.00 0.00 42.46 39.24 1x31 s ILE 25 CO -0.03 0.34 0.56 -0.69 0.00 0.00 0.00 174.94 175.12 1x31 s VAL 26 N 1.41 4.96 0.00 2.92 1.01 0.96 -0.56 120.40 131.11 1x31 s VAL 26 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1x31 s VAL 26 Cb -0.15 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.02 1x31 s VAL 26 CO 0.05 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.08 1x31 n GLY 27 N 5.15 2.94 2.07 4.51 0.00 0.94 -0.45 105.19 120.35 1x31 n GLY 27 Ca -0.07 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 1x31 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 28 N 0.00 4.67 0.00 -0.02 0.00 -1.20 -4.10 105.19 104.53 1x31 n GLY 28 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1x31 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 29 N -0.53 0.61 0.31 -0.02 0.00 -1.26 -1.46 105.19 102.84 1x31 n GLY 29 Ca 0.48 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 1x31 n GLY 29 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x31 h GLY 30 N 0.00 1.14 0.93 -0.02 0.00 -1.94 -1.53 103.07 101.64 1x31 h GLY 30 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 1x31 h GLY 30 CO 0.00 0.37 -0.31 0.45 0.00 0.00 0.00 176.54 177.06 1x31 h HIS 31 N 1.04 0.76 0.09 5.60 -0.00 -1.93 -0.75 115.15 119.97 1x31 h HIS 31 Ca 0.30 -0.25 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1x31 h HIS 31 Cb -0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.20 1x31 h HIS 31 CO -0.02 0.98 -0.04 0.78 -0.00 0.00 0.00 177.93 179.62 1x31 h GLY 32 N 0.33 -0.13 1.03 2.45 0.00 -1.68 0.78 103.07 105.84 1x31 h GLY 32 Ca 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1x31 h GLY 32 CO 0.07 -0.05 0.46 1.41 0.00 0.00 0.00 176.54 178.44 1x31 h LEU 33 N -0.16 1.10 -0.65 3.11 3.38 -1.31 -1.92 115.31 118.86 1x31 h LEU 33 Ca -0.01 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 1x31 h LEU 33 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1x31 h LEU 33 CO 0.02 0.89 -0.01 0.00 0.09 0.00 0.00 178.44 179.44 1x31 h ALA 34 N 1.25 0.86 -0.66 1.53 0.00 -0.94 -1.96 119.26 119.34 1x31 h ALA 34 Ca 0.30 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x31 h ALA 34 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1x31 h ALA 34 CO -0.05 0.66 0.43 1.15 0.00 0.00 0.00 179.25 181.45 1x31 h THR 35 N 0.95 1.17 -0.73 0.00 2.02 -0.37 -1.30 112.91 114.66 1x31 h THR 35 Ca 0.17 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1x31 h THR 35 Cb 0.56 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1x31 h THR 35 CO 0.03 0.17 0.40 0.00 0.37 0.00 0.00 175.52 176.49 1x31 h ALA 36 N 1.24 0.93 0.10 6.16 0.00 -1.10 -0.55 119.26 126.05 1x31 h ALA 36 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1x31 h ALA 36 Cb -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1x31 h ALA 36 CO -0.05 0.45 -0.05 -0.92 0.00 0.00 0.00 179.25 178.68 1x31 h TYR 37 N 1.00 -0.12 0.00 0.00 3.20 -0.71 -2.59 116.97 117.74 1x31 h TYR 37 Ca 0.26 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1x31 h TYR 37 Cb 0.04 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1x31 h TYR 37 CO -0.00 -0.04 0.00 1.88 -1.64 0.00 0.00 178.16 178.35 1x31 h TYR 38 N -0.17 0.00 -0.26 -3.82 0.05 -1.13 0.21 116.97 111.84 1x31 h TYR 38 Ca -0.01 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.59 1x31 h TYR 38 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 1x31 h TYR 38 CO -0.06 0.00 -0.52 1.25 -1.05 0.00 0.00 178.16 177.78 1x31 h LEU 39 N 0.00 0.84 0.10 3.88 5.85 -0.78 -0.95 115.31 124.25 1x31 h LEU 39 Ca 0.00 -0.44 -0.33 0.00 0.84 0.00 0.00 57.88 57.95 1x31 h LEU 39 Cb 0.57 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1x31 h LEU 39 CO 0.00 1.20 -1.76 0.00 -0.34 0.00 0.00 178.44 177.54 1x31 h ALA 40 N 0.82 0.43 -0.00 1.25 0.00 -1.06 -1.03 119.26 119.66 1x31 h ALA 40 Ca 0.02 -1.30 -0.00 0.00 0.00 0.00 0.00 54.91 53.63 1x31 h ALA 40 Cb 1.10 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1x31 h ALA 40 CO 0.11 1.29 -0.01 -0.22 0.00 0.00 0.00 179.25 180.43 1x31 h LYS 41 N 0.06 0.01 0.00 0.00 1.63 -0.64 -3.04 116.57 114.59 1x31 h LYS 41 Ca -0.33 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.39 1x31 h LYS 41 Cb 2.03 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.65 1x31 h LYS 41 CO 0.12 0.65 -1.37 0.09 -3.45 0.00 0.00 179.45 175.49 1x31 n ASN 42 N -4.77 0.68 0.00 4.20 3.02 -0.36 -4.55 115.26 113.47 1x31 n ASN 42 Ca -0.09 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1x31 n ASN 42 Cb 0.32 0.62 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 1x31 n ASN 42 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1x31 n HIS 43 N -2.69 0.00 -0.49 3.10 8.25 -1.16 -4.99 115.22 117.24 1x31 n HIS 43 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1x31 n HIS 43 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 1x31 n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x31 n GLY 44 N 0.14 1.44 3.59 -1.41 0.00 -1.11 -4.95 105.19 102.89 1x31 n GLY 44 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1x31 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x31 s ILE 45 N -2.95 3.86 -0.03 -0.61 1.01 -0.41 -4.80 121.20 117.28 1x31 s ILE 45 Ca 0.00 0.84 0.07 0.00 0.00 0.00 0.00 60.65 61.56 1x31 s ILE 45 Cb 0.00 -4.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.10 1x31 s ILE 45 CO 0.00 -0.87 0.13 1.07 0.00 0.00 0.00 174.94 175.27 1x31 n THR 46 N 7.03 0.12 -2.18 2.92 5.66 -1.26 -2.15 114.28 124.43 1x31 n THR 46 Ca 0.16 -0.20 -0.40 0.00 -3.05 0.00 0.00 64.05 60.55 1x31 n THR 46 Cb 0.48 0.03 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 1x31 n THR 46 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1x31 n ASN 47 N -1.89 4.15 -4.21 1.09 5.15 -1.26 -4.10 115.26 114.18 1x31 n ASN 47 Ca -0.04 -2.84 -0.15 0.00 -0.60 0.00 0.00 54.58 50.95 1x31 n ASN 47 Cb 0.33 -1.68 -0.11 0.00 -0.53 0.00 0.00 39.78 37.80 1x31 n ASN 47 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1x31 s VAL 48 N 5.45 1.09 0.01 3.44 1.01 -1.26 -1.99 120.40 128.15 1x31 s VAL 48 Ca 0.56 -1.81 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1x31 s VAL 48 Cb 0.06 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 1x31 s VAL 48 CO 0.06 -0.60 -0.06 0.00 0.00 0.00 0.00 175.10 174.50 1x31 s ALA 49 N -2.72 0.48 -0.19 5.51 0.00 -0.66 -1.79 121.76 122.39 1x31 s ALA 49 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1x31 s ALA 49 Cb -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.05 1x31 s ALA 49 CO 0.01 0.07 -0.14 0.08 0.00 0.00 0.00 175.76 175.78 1x31 s VAL 50 N -0.52 2.61 -0.19 0.00 1.01 0.27 -0.38 120.40 123.20 1x31 s VAL 50 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 1x31 s VAL 50 Cb -0.05 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1x31 s VAL 50 CO -0.00 0.49 0.04 -0.76 0.00 0.00 0.00 175.10 174.88 1x31 s LEU 51 N 1.30 3.64 -0.11 3.92 1.43 0.28 -0.27 118.68 128.87 1x31 s LEU 51 Ca 0.04 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1x31 s LEU 51 Cb -0.14 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1x31 s LEU 51 CO -0.08 0.14 -0.10 -0.70 0.23 0.00 0.00 176.35 175.84 1x31 s GLU 52 N 0.55 1.74 0.38 1.70 2.56 -0.01 -0.04 118.70 125.57 1x31 s GLU 52 Ca 0.02 -0.36 0.08 0.00 0.00 0.00 0.00 54.97 54.71 1x31 s GLU 52 Cb -0.13 -1.66 0.74 0.00 2.00 0.00 0.00 34.13 35.08 1x31 s GLU 52 CO 0.01 -0.19 1.91 1.57 -0.56 0.00 0.00 175.26 178.00 1x31 h LYS 53 N 7.86 0.31 0.00 4.30 2.10 -1.81 0.86 116.57 130.19 1x31 h LYS 53 Ca -0.32 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1x31 h LYS 53 Cb 1.15 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1x31 h LYS 53 CO 0.45 0.42 0.00 0.41 -2.00 0.00 0.00 179.45 178.72 1x31 n GLY 54 N -0.88 2.86 3.82 0.07 0.00 -1.26 -3.50 105.19 106.29 1x31 n GLY 54 Ca -0.00 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 1x31 n GLY 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1x31 s TRP 55 N 4.04 3.77 0.12 1.61 1.48 -1.26 -2.21 118.94 126.49 1x31 s TRP 55 Ca 0.00 1.23 -0.35 0.00 -1.06 0.00 0.00 56.10 55.92 1x31 s TRP 55 Cb 0.00 -2.47 -0.15 0.00 -1.16 0.00 0.00 33.47 29.68 1x31 s TRP 55 CO 0.00 0.56 1.44 -0.11 -4.06 0.00 0.00 176.95 174.79 1x31 n LEU 56 N 1.57 2.30 -1.79 -4.66 7.94 -1.26 -1.68 117.00 119.42 1x31 n LEU 56 Ca -0.10 1.10 -0.18 0.00 -1.11 0.00 0.00 56.01 55.72 1x31 n LEU 56 Cb 0.51 -1.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.12 1x31 n LEU 56 CO 0.41 -0.71 -0.21 0.00 -1.11 0.00 0.00 177.39 175.77 1x31 n ALA 57 N 2.87 -0.42 1.49 1.96 0.00 -0.54 -4.89 120.51 120.99 1x31 n ALA 57 Ca 0.18 0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.96 1x31 n ALA 57 Cb 0.24 -1.94 0.52 0.00 0.00 0.00 0.00 19.45 18.27 1x31 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x31 n GLY 58 N -0.88 -0.05 0.00 0.00 0.00 -0.68 -3.16 105.19 100.42 1x31 n GLY 58 Ca -0.20 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1x31 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x31 n GLY 59 N 1.13 1.27 0.31 -0.02 0.00 -1.26 -4.72 105.19 101.90 1x31 n GLY 59 Ca 0.18 -1.47 0.18 0.00 0.00 0.00 0.00 46.02 44.92 1x31 n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1x31 h ASN 60 N 0.00 0.00 -0.01 1.61 2.35 -1.90 -1.59 115.58 116.04 1x31 h ASN 60 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1x31 h ASN 60 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1x31 h ASN 60 CO 0.00 0.02 0.01 -0.03 -1.65 0.00 0.00 177.43 175.78 1x31 h MET 61 N 0.00 0.00 -0.26 0.81 4.05 -1.90 0.08 114.93 117.71 1x31 h MET 61 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1x31 h MET 61 Cb 0.07 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1x31 h MET 61 CO 0.00 0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.14 1x31 n ALA 62 N -2.42 2.45 -0.08 0.39 0.00 -0.60 -4.34 120.51 115.90 1x31 n ALA 62 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1x31 n ALA 62 Cb 0.10 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1x31 n ALA 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x31 n ARG 63 N 1.30 1.32 -1.77 0.00 1.74 -0.02 -4.99 116.66 114.24 1x31 n ARG 63 Ca 0.18 -0.31 -0.29 0.00 -0.77 0.00 0.00 57.85 56.66 1x31 n ARG 63 Cb 0.57 -0.79 0.09 0.00 -1.02 0.00 0.00 32.46 31.32 1x31 n ARG 63 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1x31 s ASN 64 N -0.28 4.43 -0.10 0.55 2.20 -0.98 -4.84 114.94 115.92 1x31 s ASN 64 Ca 0.00 0.94 0.11 0.00 -0.94 0.00 0.00 52.86 52.97 1x31 s ASN 64 Cb 0.00 -1.53 0.50 0.00 -2.00 0.00 0.00 41.25 38.22 1x31 s ASN 64 CO 0.00 -1.97 1.33 0.35 -2.94 0.00 0.00 177.10 173.87 1x31 n THR 65 N -3.38 1.38 -1.07 0.54 -2.24 -1.26 -4.94 114.28 103.31 1x31 n THR 65 Ca 0.07 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 60.99 1x31 n THR 65 Cb 0.59 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 1x31 n THR 65 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1x31 n THR 66 N 0.60 0.00 -2.29 4.28 -2.24 -1.26 -4.96 114.28 108.41 1x31 n THR 66 Ca 0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.53 1x31 n THR 66 Cb 0.70 -1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 67.78 1x31 n THR 66 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1x31 s ILE 67 N -1.31 3.95 -0.14 2.28 1.01 -1.26 -3.34 121.20 122.38 1x31 s ILE 67 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1x31 s ILE 67 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1x31 s ILE 67 CO 0.00 -0.05 -0.15 -0.63 0.00 0.00 0.00 174.94 174.11 1x31 s ILE 68 N 2.95 2.76 0.23 2.92 1.01 0.55 -4.18 121.20 127.43 1x31 s ILE 68 Ca 0.61 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 60.29 1x31 s ILE 68 Cb -0.28 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.08 1x31 s ILE 68 CO 0.23 0.52 0.87 0.00 0.00 0.00 0.00 174.94 176.55 1x31 s ARG 69 N 0.63 1.52 0.00 2.79 1.70 -1.26 -0.67 118.95 123.66 1x31 s ARG 69 Ca -0.08 -0.87 0.05 0.00 -0.47 0.00 0.00 55.73 54.35 1x31 s ARG 69 Cb -0.16 0.50 0.08 0.00 -0.57 0.00 0.00 34.95 34.80 1x31 s ARG 69 CO 0.03 -0.70 1.01 -1.13 -1.08 0.00 0.00 175.30 173.42 1x31 n SER 70 N -0.63 0.17 -3.63 -2.89 3.41 -1.26 -4.85 113.62 103.94 1x31 n SER 70 Ca -0.05 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.20 1x31 n SER 70 Cb 0.60 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 1x31 n SER 70 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1x31 n ASN 71 N 0.09 5.92 -4.88 4.04 6.94 -1.26 -4.61 115.26 121.50 1x31 n ASN 71 Ca 0.01 -2.88 -0.27 0.00 -0.02 0.00 0.00 54.58 51.42 1x31 n ASN 71 Cb 0.77 -1.55 -0.04 0.00 -2.36 0.00 0.00 39.78 36.60 1x31 n ASN 71 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1x31 s TYR 72 N 1.66 3.34 -0.04 -2.53 2.02 -1.26 -4.88 117.35 115.67 1x31 s TYR 72 Ca 0.52 0.07 -0.21 0.00 -0.37 0.00 0.00 57.07 57.08 1x31 s TYR 72 Cb 0.15 -1.61 -0.15 0.00 -0.40 0.00 0.00 41.96 39.94 1x31 s TYR 72 CO -0.06 0.52 0.93 1.25 -1.57 0.00 0.00 175.55 176.62 1x31 h LEU 73 N 2.36 -0.25 -9.93 -1.29 5.85 -1.92 -3.40 115.31 106.72 1x31 h LEU 73 Ca -0.48 -0.27 -0.49 0.00 0.84 0.00 0.00 57.88 57.48 1x31 h LEU 73 Cb 1.19 0.07 0.03 0.00 0.37 0.00 0.00 40.66 42.32 1x31 h LEU 73 CO 0.67 0.24 0.45 0.26 -0.34 0.00 0.00 178.44 179.73 1x31 s TRP 74 N -3.69 3.24 0.34 1.25 0.52 -1.26 -4.84 118.94 114.50 1x31 s TRP 74 Ca -0.12 1.62 0.07 0.00 0.02 0.00 0.00 56.10 57.69 1x31 s TRP 74 Cb 0.01 -3.25 0.75 0.00 -1.15 0.00 0.00 33.47 29.84 1x31 s TRP 74 CO 0.46 -0.87 1.86 -0.44 0.02 0.00 0.00 176.95 177.99 1x31 h ASP 75 N 2.74 0.72 -0.24 2.95 3.32 -1.96 0.08 116.42 124.04 1x31 h ASP 75 Ca -0.48 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.51 1x31 h ASP 75 Cb 1.22 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1x31 h ASP 75 CO 0.63 0.37 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.98 1x31 h GLU 76 N 0.76 0.69 0.21 3.56 3.07 -1.97 -0.41 114.58 120.49 1x31 h GLU 76 Ca 0.46 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1x31 h GLU 76 Cb 0.65 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1x31 h GLU 76 CO -0.22 0.85 -0.10 0.77 -1.40 0.00 0.00 179.01 178.91 1x31 h SER 77 N 0.61 -0.23 -0.44 1.42 0.02 -1.53 -2.86 113.55 110.54 1x31 h SER 77 Ca 0.09 -0.30 0.11 0.00 -0.84 0.00 0.00 61.79 60.86 1x31 h SER 77 Cb 0.68 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1x31 h SER 77 CO 0.05 0.27 0.31 0.00 -1.14 0.00 0.00 176.83 176.32 1x31 h ALA 78 N -0.30 2.32 0.50 3.77 0.00 -1.05 -0.46 119.26 124.03 1x31 h ALA 78 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1x31 h ALA 78 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1x31 h ALA 78 CO 0.05 -0.44 -0.24 0.78 0.00 0.00 0.00 179.25 179.40 1x31 h GLY 79 N 0.07 -0.70 1.49 0.00 0.00 -0.99 -1.33 103.07 101.61 1x31 h GLY 79 Ca 0.21 0.26 -0.21 0.00 0.00 0.00 0.00 47.33 47.59 1x31 h GLY 79 CO -0.02 -0.26 -0.84 1.19 0.00 0.00 0.00 176.54 176.62 1x31 h ILE 80 N -0.80 1.37 -0.28 2.60 2.10 -1.16 -2.77 117.51 118.57 1x31 h ILE 80 Ca -0.07 -2.24 -0.19 0.00 1.08 0.00 0.00 64.86 63.45 1x31 h ILE 80 Cb 0.57 2.22 0.00 0.00 -1.09 0.00 0.00 36.82 38.52 1x31 h ILE 80 CO 0.11 0.68 -0.56 1.88 -1.08 0.00 0.00 178.15 179.18 1x31 h TYR 81 N 0.31 1.10 -0.47 2.19 0.05 -1.19 -1.79 116.97 117.16 1x31 h TYR 81 Ca -0.06 -0.40 -0.10 0.00 0.05 0.00 0.00 58.73 58.23 1x31 h TYR 81 Cb 1.45 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.96 1x31 h TYR 81 CO 0.06 1.23 -0.09 1.49 -1.05 0.00 0.00 178.16 179.80 1x31 h GLU 82 N 0.66 0.85 -0.75 4.88 4.57 -1.31 0.11 114.58 123.59 1x31 h GLU 82 Ca 0.01 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1x31 h GLU 82 Cb 1.17 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 1x31 h GLU 82 CO 0.12 0.91 0.40 -0.22 -1.18 0.00 0.00 179.01 179.04 1x31 h LYS 83 N 0.77 1.05 -0.55 1.92 1.63 -1.43 0.73 116.57 120.69 1x31 h LYS 83 Ca 0.13 -0.13 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1x31 h LYS 83 Cb 0.59 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1x31 h LYS 83 CO 0.04 0.79 0.26 1.03 -3.45 0.00 0.00 179.45 178.12 1x31 h SER 84 N 1.04 0.72 -0.59 4.20 0.87 -0.71 -1.65 113.55 117.42 1x31 h SER 84 Ca 0.26 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1x31 h SER 84 Cb 0.06 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 1x31 h SER 84 CO -0.04 0.65 0.19 0.25 -0.53 0.00 0.00 176.83 177.35 1x31 h LEU 85 N 0.74 0.89 -1.09 2.23 5.85 -0.11 -0.23 115.31 123.58 1x31 h LEU 85 Ca 0.19 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1x31 h LEU 85 Cb 0.12 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1x31 h LEU 85 CO -0.02 0.84 -0.01 0.11 -0.34 0.00 0.00 178.44 179.01 1x31 h LYS 86 N 0.92 0.63 -0.32 1.25 1.57 -0.46 -2.44 116.57 117.72 1x31 h LYS 86 Ca 0.21 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 1x31 h LYS 86 Cb 0.27 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1x31 h LYS 86 CO -0.01 0.66 -0.43 -0.07 -0.57 0.00 0.00 179.45 179.04 1x31 h LEU 87 N 0.59 0.88 -0.35 2.94 3.38 -0.52 -3.19 115.31 119.04 1x31 h LEU 87 Ca 0.12 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.73 1x31 h LEU 87 Cb 0.40 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1x31 h LEU 87 CO 0.02 1.18 0.06 -0.50 0.09 0.00 0.00 178.44 179.28 1x31 h TRP 88 N 0.66 0.09 -0.22 1.13 4.06 -0.64 -0.31 115.95 120.71 1x31 h TRP 88 Ca 0.05 0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.08 1x31 h TRP 88 Cb 1.00 0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 1x31 h TRP 88 CO 0.06 0.00 0.24 0.93 -3.56 0.00 0.00 178.44 176.11 1x31 h GLU 89 N 0.17 0.00 -0.00 0.49 5.08 -1.44 -1.94 114.58 116.94 1x31 h GLU 89 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1x31 h GLU 89 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1x31 h GLU 89 CO -0.23 0.00 -0.43 0.39 -1.00 0.00 0.00 179.01 177.74 1x31 n GLU 90 N -3.80 2.64 -0.29 2.33 -0.58 -0.90 -4.70 120.64 115.34 1x31 n GLU 90 Ca 0.02 -0.28 -0.01 0.00 -0.42 0.00 0.00 57.16 56.48 1x31 n GLU 90 Cb 0.37 -1.10 0.12 0.00 -0.57 0.00 0.00 31.44 30.26 1x31 n GLU 90 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1x31 h LEU 91 N 0.56 0.78 -0.57 -4.62 5.85 -0.24 -1.53 115.31 115.54 1x31 h LEU 91 Ca 0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1x31 h LEU 91 Cb 0.34 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1x31 h LEU 91 CO 0.00 0.51 0.23 -0.65 -0.34 0.00 0.00 178.44 178.20 1x31 h PRO 92 N 0.92 0.42 -0.01 5.25 0.11 -1.79 0.18 132.00 137.08 1x31 h PRO 92 Ca 0.34 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 1x31 h PRO 92 Cb 0.13 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 1x31 h PRO 92 CO -0.16 0.28 -0.01 0.93 -0.21 0.00 0.00 178.00 178.83 1x31 h GLU 93 N 0.43 0.02 -0.87 1.05 4.39 -1.80 0.15 114.58 117.96 1x31 h GLU 93 Ca 0.28 -0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.15 1x31 h GLU 93 Cb 0.29 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.83 1x31 h GLU 93 CO -0.25 0.52 0.40 0.93 -1.16 0.00 0.00 179.01 179.45 1x31 h GLU 94 N -0.47 0.48 -0.01 2.33 4.39 -0.92 0.73 114.58 121.10 1x31 h GLU 94 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1x31 h GLU 94 Cb 0.51 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1x31 h GLU 94 CO 0.00 0.32 -0.26 1.28 -1.16 0.00 0.00 179.01 179.19 1x31 n LEU 95 N -4.97 1.70 -3.83 1.33 4.77 0.59 -4.96 117.00 111.62 1x31 n LEU 95 Ca 0.20 -0.56 -0.25 0.00 -0.03 0.00 0.00 56.01 55.37 1x31 n LEU 95 Cb 0.55 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1x31 n LEU 95 CO 0.16 0.30 -0.08 -0.62 -1.33 0.00 0.00 177.39 175.83 1x31 n GLU 96 N -0.05 -4.49 -3.70 3.23 1.02 0.37 -4.89 120.64 112.13 1x31 n GLU 96 Ca 0.12 0.54 -0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1x31 n GLU 96 Cb 0.42 -5.05 -0.13 0.00 -0.02 0.00 0.00 31.44 26.67 1x31 n GLU 96 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1x31 s TYR 97 N -3.67 -0.40 -0.78 -0.32 6.04 -0.37 -4.49 117.35 113.36 1x31 s TYR 97 Ca 0.15 0.91 -0.19 0.00 0.04 0.00 0.00 57.07 57.98 1x31 s TYR 97 Cb -0.08 0.05 0.12 0.00 -1.04 0.00 0.00 41.96 41.01 1x31 s TYR 97 CO 0.84 -0.29 0.97 0.34 -1.54 0.00 0.00 175.55 175.87 1x31 s ASP 98 N 1.64 6.43 -0.42 4.32 2.15 0.13 -4.51 116.67 126.42 1x31 s ASP 98 Ca -0.06 -1.70 0.06 0.00 0.43 0.00 0.00 52.55 51.27 1x31 s ASP 98 Cb -0.11 -2.37 0.69 0.00 -0.30 0.00 0.00 42.92 40.84 1x31 s ASP 98 CO -0.09 -1.13 1.89 2.22 -0.17 0.00 0.00 175.17 177.89 1x31 n PHE 99 N 6.59 2.91 -3.82 -5.34 1.16 -1.26 -4.44 117.46 113.26 1x31 n PHE 99 Ca 0.09 -1.69 -0.23 0.00 -1.87 0.00 0.00 57.45 53.75 1x31 n PHE 99 Cb 0.47 -0.88 0.01 0.00 -1.61 0.00 0.00 39.48 37.46 1x31 n PHE 99 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1x31 n LEU 100 N -0.90 -2.71 -4.66 5.98 4.77 -1.26 -1.50 117.00 116.71 1x31 n LEU 100 Ca 0.55 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 55.21 1x31 n LEU 100 Cb 1.60 -2.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.19 1x31 n LEU 100 CO 0.56 0.42 1.30 0.12 -1.33 0.00 0.00 177.39 178.46 1x31 s PHE 101 N -3.78 2.20 -0.21 -1.77 5.36 -1.26 -4.25 117.98 114.27 1x31 s PHE 101 Ca 0.03 0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.39 1x31 s PHE 101 Cb -0.01 -3.83 0.04 0.00 -0.34 0.00 0.00 43.02 38.89 1x31 s PHE 101 CO 0.85 -3.37 -0.11 0.45 -1.46 0.00 0.00 175.22 171.58 1x31 s SER 102 N 2.99 3.56 -1.20 6.13 0.15 0.65 -4.99 113.70 120.99 1x31 s SER 102 Ca 0.69 -0.97 -0.13 0.00 0.70 0.00 0.00 55.95 56.25 1x31 s SER 102 Cb -0.31 -1.29 0.19 0.00 -1.71 0.00 0.00 66.02 62.89 1x31 s SER 102 CO 0.26 -0.15 1.39 -1.10 1.20 0.00 0.00 173.24 174.85 1x31 s GLN 103 N 1.35 4.12 -0.01 5.44 -0.21 -1.26 -1.41 119.66 127.67 1x31 s GLN 103 Ca -0.02 -2.69 0.20 0.00 0.02 0.00 0.00 55.36 52.87 1x31 s GLN 103 Cb -0.17 -4.99 0.58 0.00 1.00 0.00 0.00 33.01 29.43 1x31 s GLN 103 CO -0.08 -1.69 1.49 2.89 -2.12 0.00 0.00 175.29 175.78 1x31 n ARG 104 N 5.21 2.87 -0.43 2.91 1.85 -0.97 -4.86 116.66 123.24 1x31 n ARG 104 Ca 0.35 -2.56 0.06 0.00 -1.00 0.00 0.00 57.85 54.69 1x31 n ARG 104 Cb 0.42 -1.54 -0.02 0.00 -1.05 0.00 0.00 32.46 30.27 1x31 n ARG 104 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1x31 n GLY 105 N 1.34 -2.18 2.89 2.89 0.00 0.83 -4.41 105.19 106.55 1x31 n GLY 105 Ca 0.22 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1x31 n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x31 s VAL 106 N -2.42 -0.03 -0.18 1.61 0.11 -1.04 -2.21 120.40 116.24 1x31 s VAL 106 Ca 0.00 0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.11 1x31 s VAL 106 Cb 0.00 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1x31 s VAL 106 CO 0.00 0.05 0.00 -0.76 -3.33 0.00 0.00 175.10 171.06 1x31 s LEU 107 N 0.68 3.38 -0.47 2.54 1.43 0.19 -2.60 118.68 123.84 1x31 s LEU 107 Ca -0.05 -0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 1x31 s LEU 107 Cb -0.07 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.43 1x31 s LEU 107 CO -0.03 0.12 0.27 0.20 0.23 0.00 0.00 176.35 177.14 1x31 s ASN 108 N 0.68 5.21 0.66 2.29 -0.87 -0.69 -0.03 114.94 122.18 1x31 s ASN 108 Ca -0.00 -2.29 -0.17 0.00 -1.57 0.00 0.00 52.86 48.84 1x31 s ASN 108 Cb -0.14 -1.83 -0.00 0.00 -0.02 0.00 0.00 41.25 39.26 1x31 s ASN 108 CO 0.02 -0.48 1.19 -0.76 -2.57 0.00 0.00 177.10 174.50 1x31 s LEU 109 N 0.77 3.48 -0.07 0.60 1.43 -0.22 -1.65 118.68 123.01 1x31 s LEU 109 Ca 0.11 2.32 0.04 0.00 -1.03 0.00 0.00 54.13 55.57 1x31 s LEU 109 Cb -0.22 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.41 1x31 s LEU 109 CO -0.04 -1.87 -0.20 0.00 0.23 0.00 0.00 176.35 174.47 1x31 s ALA 110 N -1.87 1.84 0.00 4.21 0.00 -0.47 -4.62 121.76 120.85 1x31 s ALA 110 Ca 0.75 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1x31 s ALA 110 Cb -0.28 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1x31 s ALA 110 CO 0.39 0.28 0.50 0.72 0.00 0.00 0.00 175.76 177.66 1x31 n HIS 111 N 3.36 0.00 -4.12 0.00 8.25 -1.26 -0.56 115.22 120.88 1x31 n HIS 111 Ca -0.19 -0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.17 1x31 n HIS 111 Cb 0.53 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 1x31 n HIS 111 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1x31 s THR 112 N -0.01 0.11 0.36 1.59 -4.23 -1.26 -4.68 115.64 107.53 1x31 s THR 112 Ca 0.00 -1.85 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1x31 s THR 112 Cb 0.00 -1.96 0.22 0.00 1.34 0.00 0.00 72.50 72.10 1x31 s THR 112 CO 0.00 -0.52 1.97 -0.07 -0.54 0.00 0.00 174.62 175.46 1x31 h LEU 113 N 2.88 0.55 -0.58 4.79 3.38 -1.99 -0.37 115.31 123.97 1x31 h LEU 113 Ca -0.35 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1x31 h LEU 113 Cb 1.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1x31 h LEU 113 CO 0.59 0.48 -0.17 1.23 0.09 0.00 0.00 178.44 180.66 1x31 h GLY 114 N 0.74 1.04 0.84 0.83 0.00 -1.99 -1.11 103.07 103.41 1x31 h GLY 114 Ca 0.15 -0.87 0.03 0.00 0.00 0.00 0.00 47.33 46.64 1x31 h GLY 114 CO -0.02 0.80 0.22 -0.55 0.00 0.00 0.00 176.54 176.99 1x31 h ASP 115 N 0.84 0.34 -0.17 0.19 5.19 -1.60 -0.88 116.42 120.32 1x31 h ASP 115 Ca 0.12 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1x31 h ASP 115 Cb 0.73 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1x31 h ASP 115 CO 0.06 0.24 0.08 0.58 -3.12 0.00 0.00 179.24 177.08 1x31 h VAL 116 N 0.45 1.00 -0.14 -1.35 2.07 -0.75 0.88 116.25 118.42 1x31 h VAL 116 Ca 0.17 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1x31 h VAL 116 Cb 0.05 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1x31 h VAL 116 CO -0.10 0.03 -0.12 -0.09 0.02 0.00 0.00 177.57 177.31 1x31 h ARG 117 N 0.18 -0.13 -0.12 1.57 2.43 -0.77 0.53 114.38 118.07 1x31 h ARG 117 Ca 0.07 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1x31 h ARG 117 Cb 0.01 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1x31 h ARG 117 CO -0.05 -0.09 -0.17 0.93 -1.51 0.00 0.00 179.97 179.08 1x31 h GLU 118 N -0.14 0.20 -0.00 0.20 4.39 -0.95 -1.71 114.58 116.56 1x31 h GLU 118 Ca 0.09 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1x31 h GLU 118 Cb 0.27 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1x31 h GLU 118 CO -0.22 0.37 -0.00 0.77 -1.16 0.00 0.00 179.01 178.77 1x31 h SER 119 N 0.18 0.01 -0.45 1.42 0.02 0.12 -2.02 113.55 112.82 1x31 h SER 119 Ca 0.04 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1x31 h SER 119 Cb 0.41 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1x31 h SER 119 CO 0.03 0.35 0.26 0.40 -1.14 0.00 0.00 176.83 176.72 1x31 h ILE 120 N -0.33 1.03 -0.53 3.27 1.08 -0.75 -0.21 117.51 121.06 1x31 h ILE 120 Ca 0.00 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.35 1x31 h ILE 120 Cb 0.34 0.46 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 1x31 h ILE 120 CO 0.00 0.09 0.24 -0.09 -0.69 0.00 0.00 178.15 177.70 1x31 h ARG 121 N 0.52 0.44 -0.47 2.37 2.43 -1.27 -0.42 114.38 117.98 1x31 h ARG 121 Ca 0.19 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1x31 h ARG 121 Cb 0.04 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1x31 h ARG 121 CO -0.10 0.29 -0.18 -0.09 -1.51 0.00 0.00 179.97 178.38 1x31 h ARG 122 N 0.46 0.93 0.05 0.20 2.43 -0.94 -0.72 114.38 116.79 1x31 h ARG 122 Ca 0.24 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1x31 h ARG 122 Cb 0.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1x31 h ARG 122 CO -0.20 1.03 -0.03 0.28 -1.51 0.00 0.00 179.97 179.54 1x31 h VAL 123 N 0.81 1.09 -0.49 0.20 2.07 -0.56 0.24 116.25 119.62 1x31 h VAL 123 Ca 0.11 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1x31 h VAL 123 Cb 0.74 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1x31 h VAL 123 CO 0.06 0.12 0.12 -0.33 0.02 0.00 0.00 177.57 177.56 1x31 h GLU 124 N -0.28 0.73 -0.11 1.57 4.39 -1.07 -1.51 114.58 118.31 1x31 h GLU 124 Ca -0.01 -0.14 -0.17 0.00 0.34 0.00 0.00 59.36 59.39 1x31 h GLU 124 Cb 0.25 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1x31 h GLU 124 CO 0.01 0.66 -0.65 0.00 -1.16 0.00 0.00 179.01 177.88 1x31 h ALA 125 N 1.43 0.69 -0.31 3.43 0.00 -1.01 -3.04 119.26 120.44 1x31 h ALA 125 Ca 0.16 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1x31 h ALA 125 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1x31 h ALA 125 CO -0.00 0.73 0.20 -0.91 0.00 0.00 0.00 179.25 179.27 1x31 h ASN 126 N 0.29 0.36 -0.84 0.00 -0.26 0.20 -1.88 115.58 113.45 1x31 h ASN 126 Ca -0.01 -0.02 0.03 0.00 -0.56 0.00 0.00 56.30 55.73 1x31 h ASN 126 Cb 1.19 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 38.32 1x31 h ASN 126 CO 0.11 0.27 0.54 0.11 -1.06 0.00 0.00 177.43 177.40 1x31 h LYS 127 N 0.41 1.02 0.00 0.81 1.57 -1.24 -0.58 116.57 118.56 1x31 h LYS 127 Ca 0.11 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1x31 h LYS 127 Cb -0.03 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1x31 h LYS 127 CO -0.02 0.68 0.00 1.19 -0.57 0.00 0.00 179.45 180.72 1x31 n PHE 128 N -4.56 0.00 0.71 -1.35 3.72 -1.11 -3.05 117.46 111.82 1x31 n PHE 128 Ca 0.10 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.60 1x31 n PHE 128 Cb 0.08 -0.47 0.11 0.00 -0.94 0.00 0.00 39.48 38.27 1x31 n PHE 128 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1x31 n ASN 129 N -1.47 2.86 0.00 4.37 3.02 -0.30 -4.99 115.26 118.75 1x31 n ASN 129 Ca 0.07 -1.88 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1x31 n ASN 129 Cb 0.29 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1x31 n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x31 n GLY 130 N 1.20 0.72 3.23 7.41 0.00 -0.80 -4.86 105.19 112.10 1x31 n GLY 130 Ca 0.13 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1x31 n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x31 s VAL 131 N -2.00 1.84 0.13 1.61 -7.23 -0.72 -5.04 120.40 108.99 1x31 s VAL 131 Ca 0.00 -0.95 -0.31 0.00 -1.81 0.00 0.00 61.98 58.91 1x31 s VAL 131 Cb 0.00 -1.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.28 1x31 s VAL 131 CO 0.00 0.52 1.73 1.51 -0.31 0.00 0.00 175.10 178.54 1x31 s ASP 132 N -0.15 6.48 -0.06 4.85 3.84 -1.26 -3.74 116.67 126.63 1x31 s ASP 132 Ca -0.02 2.70 -0.16 0.00 -0.00 0.00 0.00 52.55 55.06 1x31 s ASP 132 Cb -0.12 -2.58 0.03 0.00 -1.38 0.00 0.00 42.92 38.87 1x31 s ASP 132 CO 0.03 -0.94 0.37 0.00 -0.00 0.00 0.00 175.17 174.63 1x31 s ALA 133 N 2.14 -0.94 -0.10 2.11 0.00 -1.26 -4.59 121.76 119.12 1x31 s ALA 133 Ca 0.76 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 53.30 1x31 s ALA 133 Cb -0.45 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.54 1x31 s ALA 133 CO 0.34 -0.25 0.27 -1.21 0.00 0.00 0.00 175.76 174.91 1x31 s GLU 134 N -0.84 0.31 -0.09 0.00 2.02 -0.67 -4.94 118.70 114.49 1x31 s GLU 134 Ca -0.09 0.39 -0.14 0.00 0.02 0.00 0.00 54.97 55.15 1x31 s GLU 134 Cb -0.04 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.27 1x31 s GLU 134 CO 0.04 -0.05 0.34 -0.46 0.02 0.00 0.00 175.26 175.15 1x31 s TRP 135 N 0.24 3.59 0.05 1.61 -0.11 -1.26 -0.70 118.94 122.36 1x31 s TRP 135 Ca -0.01 0.78 0.08 0.00 1.22 0.00 0.00 56.10 58.16 1x31 s TRP 135 Cb -0.03 -2.30 -0.03 0.00 -1.50 0.00 0.00 33.47 29.62 1x31 s TRP 135 CO -0.00 0.45 -0.21 -0.51 -4.62 0.00 0.00 176.95 172.05 1x31 s LEU 136 N -0.30 2.18 0.75 5.86 1.43 0.17 -4.99 118.68 123.78 1x31 s LEU 136 Ca 0.20 -0.54 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1x31 s LEU 136 Cb -0.15 -1.00 0.06 0.00 0.03 0.00 0.00 46.19 45.13 1x31 s LEU 136 CO 0.08 0.16 1.11 0.42 0.23 0.00 0.00 176.35 178.35 1x31 s THR 137 N -0.82 2.44 0.24 5.49 -4.23 -1.26 -1.78 115.64 115.71 1x31 s THR 137 Ca 0.08 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.56 1x31 s THR 137 Cb -0.09 -3.11 0.21 0.00 1.34 0.00 0.00 72.50 70.84 1x31 s THR 137 CO 0.02 -0.14 1.79 -0.65 -0.54 0.00 0.00 174.62 175.10 1x31 h PRO 138 N -0.82 0.69 -0.90 3.99 0.11 -1.85 0.30 132.00 133.52 1x31 h PRO 138 Ca -0.45 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1x31 h PRO 138 Cb 1.31 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1x31 h PRO 138 CO 0.64 0.46 0.60 0.93 -0.21 0.00 0.00 178.00 180.41 1x31 h GLU 139 N 0.71 1.19 -0.14 1.05 3.07 -1.93 -1.17 114.58 117.37 1x31 h GLU 139 Ca 0.40 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.05 1x31 h GLU 139 Cb 0.41 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1x31 h GLU 139 CO -0.27 0.79 -0.48 1.96 -1.40 0.00 0.00 179.01 179.61 1x31 h GLN 140 N 1.22 0.36 -0.59 2.33 4.20 -1.64 -2.61 115.11 118.38 1x31 h GLN 140 Ca 0.33 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1x31 h GLN 140 Cb -0.14 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1x31 h GLN 140 CO -0.07 0.76 0.30 0.28 -0.67 0.00 0.00 178.83 179.43 1x31 h VAL 141 N 0.29 1.21 -0.67 -0.54 2.07 -0.29 -2.23 116.25 116.08 1x31 h VAL 141 Ca 0.02 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1x31 h VAL 141 Cb 0.95 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1x31 h VAL 141 CO 0.08 0.23 0.44 0.50 0.02 0.00 0.00 177.57 178.84 1x31 h LYS 142 N 0.81 0.75 -0.33 1.57 1.63 -0.90 -1.35 116.57 118.75 1x31 h LYS 142 Ca 0.21 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.87 1x31 h LYS 142 Cb 0.10 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1x31 h LYS 142 CO -0.03 0.49 -0.19 0.93 -3.45 0.00 0.00 179.45 177.21 1x31 h GLU 143 N 0.77 0.60 0.02 1.90 4.39 -1.05 -2.59 114.58 118.62 1x31 h GLU 143 Ca 0.27 -0.21 -0.25 0.00 0.34 0.00 0.00 59.36 59.51 1x31 h GLU 143 Cb 0.12 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1x31 h GLU 143 CO -0.08 0.76 -1.03 0.28 -1.16 0.00 0.00 179.01 177.78 1x31 h VAL 144 N 0.54 1.34 -2.82 3.13 2.07 -1.00 -3.41 116.25 116.11 1x31 h VAL 144 Ca 0.09 -2.40 -0.57 0.00 0.82 0.00 0.00 66.70 64.63 1x31 h VAL 144 Cb 0.63 2.46 -0.40 0.00 -1.52 0.00 0.00 31.29 32.46 1x31 h VAL 144 CO 0.04 0.73 -0.79 0.00 0.02 0.00 0.00 177.57 177.57 1x31 h PRO 146 N 7.49 0.00 0.00 0.00 0.11 -1.70 -2.80 132.00 135.10 1x31 h PRO 146 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1x31 h PRO 146 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1x31 h PRO 146 CO 0.39 0.00 -0.09 0.44 -0.21 0.00 0.00 178.00 178.52 1x31 n ILE 147 N -3.76 0.14 -2.46 4.15 -5.35 -1.26 -4.86 119.36 105.97 1x31 n ILE 147 Ca -0.01 -0.07 -0.40 0.00 -0.27 0.00 0.00 62.75 62.00 1x31 n ILE 147 Cb 0.17 -0.41 -0.04 0.00 -1.74 0.00 0.00 39.64 37.62 1x31 n ILE 147 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1x31 s ILE 148 N -3.03 3.46 -0.73 7.28 1.01 -1.06 -4.35 121.20 123.78 1x31 s ILE 148 Ca 0.13 1.41 -0.22 0.00 0.00 0.00 0.00 60.65 61.97 1x31 s ILE 148 Cb 0.17 -3.88 0.08 0.00 0.01 0.00 0.00 42.46 38.84 1x31 s ILE 148 CO 0.57 0.29 1.03 0.21 0.00 0.00 0.00 174.94 177.05 1x31 s ASN 149 N -0.96 6.27 0.00 3.58 3.84 0.10 -4.82 114.94 122.95 1x31 s ASN 149 Ca 0.47 -1.18 0.22 0.00 0.21 0.00 0.00 52.86 52.58 1x31 s ASN 149 Cb -0.31 -2.43 0.68 0.00 -0.55 0.00 0.00 41.25 38.64 1x31 s ASN 149 CO 0.40 -1.40 1.52 0.35 -2.79 0.00 0.00 177.10 175.18 1x31 n THR 150 N 5.91 0.25 -0.95 -5.21 -2.24 -1.26 -4.68 114.28 106.09 1x31 n THR 150 Ca 0.03 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 1x31 n THR 150 Cb 0.46 0.55 0.12 0.00 -2.10 0.00 0.00 70.33 69.36 1x31 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x31 n GLY 151 N 1.22 -2.27 1.28 3.38 0.00 -1.26 -4.56 105.19 102.97 1x31 n GLY 151 Ca 0.17 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 44.76 1x31 n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x31 n ASP 152 N -3.80 4.00 -0.58 1.61 8.00 -1.26 -4.40 116.55 120.12 1x31 n ASP 152 Ca 0.08 -2.16 0.03 0.00 0.71 0.00 0.00 54.79 53.45 1x31 n ASP 152 Cb 0.29 -0.47 0.10 0.00 -0.02 0.00 0.00 41.12 41.02 1x31 n ASP 152 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x31 n ASN 153 N 1.23 1.58 -4.56 -2.24 0.23 -1.26 -4.84 115.26 105.39 1x31 n ASN 153 Ca 0.22 -2.10 -0.24 0.00 -0.53 0.00 0.00 54.58 51.93 1x31 n ASN 153 Cb 0.67 -0.30 -0.09 0.00 -2.08 0.00 0.00 39.78 37.98 1x31 n ASN 153 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 1x31 s ILE 154 N -1.63 3.03 0.28 1.53 -4.36 -1.26 -5.04 121.20 113.75 1x31 s ILE 154 Ca 0.14 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 1x31 s ILE 154 Cb 0.09 -2.58 0.27 0.00 1.25 0.00 0.00 42.46 41.48 1x31 s ILE 154 CO 0.07 -0.32 1.76 -0.09 0.24 0.00 0.00 174.94 176.61 1x31 h ARG 155 N 2.28 0.64 -2.88 0.37 9.65 -1.98 -3.25 114.38 119.20 1x31 h ARG 155 Ca -0.43 -0.04 -0.61 0.00 -1.10 0.00 0.00 59.98 57.80 1x31 h ARG 155 Cb 1.24 -0.14 -0.40 0.00 -1.39 0.00 0.00 29.97 29.27 1x31 h ARG 155 CO 0.58 0.42 -0.72 0.71 2.80 0.00 0.00 179.97 183.76 1x31 s TYR 156 N -5.93 2.54 0.44 2.20 2.02 -1.26 -5.11 117.35 112.26 1x31 s TYR 156 Ca -0.12 -2.86 -0.23 0.00 -0.37 0.00 0.00 57.07 53.49 1x31 s TYR 156 Cb 0.23 -2.05 -0.11 0.00 -0.40 0.00 0.00 41.96 39.63 1x31 s TYR 156 CO 0.79 -0.68 0.82 -2.30 -1.57 0.00 0.00 175.55 172.60 1x31 n PRO 157 N 2.60 0.99 -2.13 -1.71 -0.02 -1.23 -4.86 135.00 128.64 1x31 n PRO 157 Ca 0.19 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1x31 n PRO 157 Cb 0.38 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 1x31 n PRO 157 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x31 s VAL 158 N -1.38 3.41 -1.22 -1.45 1.01 -1.26 -4.57 120.40 114.94 1x31 s VAL 158 Ca 0.65 0.89 0.21 0.00 0.00 0.00 0.00 61.98 63.73 1x31 s VAL 158 Cb -0.56 -3.57 -0.18 0.00 0.00 0.00 0.00 36.38 32.07 1x31 s VAL 158 CO 0.56 0.02 0.95 0.23 0.00 0.00 0.00 175.10 176.86 1x31 n MET 159 N 4.95 0.26 -2.45 2.72 2.81 0.27 -4.73 117.12 120.95 1x31 n MET 159 Ca 0.13 -0.22 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1x31 n MET 159 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1x31 n MET 159 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x31 n GLY 160 N 1.48 0.08 3.63 3.03 0.00 -1.22 -4.21 105.19 107.97 1x31 n GLY 160 Ca 0.05 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 1x31 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 s ALA 161 N -1.00 -2.11 0.39 4.61 0.00 -0.74 -1.37 121.76 121.55 1x31 s ALA 161 Ca 0.00 1.82 -0.07 0.00 0.00 0.00 0.00 51.96 53.71 1x31 s ALA 161 Cb 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.05 1x31 s ALA 161 CO 0.00 -0.36 0.71 0.95 0.00 0.00 0.00 175.76 177.06 1x31 s THR 162 N -1.43 4.89 -0.10 0.00 -4.23 -0.66 -0.66 115.64 113.45 1x31 s THR 162 Ca 0.08 0.34 -0.05 0.00 -1.18 0.00 0.00 61.69 60.88 1x31 s THR 162 Cb -0.01 -3.77 0.04 0.00 1.34 0.00 0.00 72.50 70.11 1x31 s THR 162 CO -0.05 -0.55 0.23 -0.47 -0.54 0.00 0.00 174.62 173.24 1x31 s TYR 163 N -2.38 -0.31 -0.31 3.99 5.04 0.12 -1.71 117.35 121.79 1x31 s TYR 163 Ca 0.48 0.75 0.03 0.00 -2.44 0.00 0.00 57.07 55.89 1x31 s TYR 163 Cb -0.10 0.04 0.09 0.00 0.35 0.00 0.00 41.96 42.33 1x31 s TYR 163 CO 0.34 -0.22 0.01 -1.14 -1.34 0.00 0.00 175.55 173.20 1x31 s GLN 164 N 1.21 1.57 0.32 4.97 0.74 -1.07 -1.67 119.66 125.72 1x31 s GLN 164 Ca -0.09 -1.59 0.06 0.00 0.05 0.00 0.00 55.36 53.78 1x31 s GLN 164 Cb -0.10 -2.95 0.72 0.00 1.10 0.00 0.00 33.01 31.77 1x31 s GLN 164 CO -0.08 -0.83 1.82 -1.35 -0.55 0.00 0.00 175.29 174.30 1x31 h PRO 165 N 7.73 0.78 0.00 1.67 0.11 -1.88 -2.29 132.00 138.12 1x31 h PRO 165 Ca -0.10 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1x31 h PRO 165 Cb 1.03 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1x31 h PRO 165 CO 0.49 0.52 0.00 0.54 -0.21 0.00 0.00 178.00 179.34 1x31 n ARG 166 N -4.65 0.14 -1.19 1.05 1.74 -1.26 -2.84 116.66 109.65 1x31 n ARG 166 Ca 0.20 0.24 -0.29 0.00 -0.77 0.00 0.00 57.85 57.23 1x31 n ARG 166 Cb 0.48 -1.70 0.19 0.00 -1.02 0.00 0.00 32.46 30.41 1x31 n ARG 166 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x31 s ALA 167 N -3.12 0.92 0.00 7.54 0.00 -0.89 -4.77 121.76 121.44 1x31 s ALA 167 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1x31 s ALA 167 Cb 0.12 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1x31 s ALA 167 CO 0.46 -3.01 0.00 0.41 0.00 0.00 0.00 175.76 173.62 1x31 n GLY 168 N -1.21 -0.79 3.33 0.00 0.00 0.15 -0.12 105.19 106.56 1x31 n GLY 168 Ca 0.07 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1x31 n GLY 168 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x31 s ILE 169 N -4.00 0.00 0.28 -0.61 -4.36 -0.50 -0.33 121.20 111.67 1x31 s ILE 169 Ca 0.00 -1.82 -0.16 0.00 -0.26 0.00 0.00 60.65 58.42 1x31 s ILE 169 Cb 0.00 -2.44 0.01 0.00 1.25 0.00 0.00 42.46 41.28 1x31 s ILE 169 CO 0.00 0.00 0.60 0.00 0.24 0.00 0.00 174.94 175.78 1x31 s ALA 170 N -3.96 -0.62 -0.60 2.27 0.00 -1.21 -0.25 121.76 117.38 1x31 s ALA 170 Ca 0.34 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 1x31 s ALA 170 Cb 0.04 0.96 0.10 0.00 0.00 0.00 0.00 23.12 24.22 1x31 s ALA 170 CO 0.14 -0.94 0.73 0.15 0.00 0.00 0.00 175.76 175.84 1x31 s LYS 171 N -3.80 3.05 0.23 0.00 1.02 -0.56 -4.76 119.74 114.92 1x31 s LYS 171 Ca 0.18 -1.30 -0.10 0.00 0.02 0.00 0.00 55.97 54.77 1x31 s LYS 171 Cb -0.03 -4.27 0.33 0.00 -0.52 0.00 0.00 37.83 33.34 1x31 s LYS 171 CO 0.09 -1.57 1.64 1.12 -0.92 0.00 0.00 175.35 175.71 1x31 h HIS 172 N 9.21 -0.14 -0.50 3.18 2.07 -1.87 -1.74 115.15 125.35 1x31 h HIS 172 Ca -0.29 0.05 0.07 0.00 -2.85 0.00 0.00 60.37 57.35 1x31 h HIS 172 Cb 1.08 0.17 -0.06 0.00 2.57 0.00 0.00 27.41 31.18 1x31 h HIS 172 CO 0.85 -0.23 0.18 -0.44 -3.07 0.00 0.00 177.93 175.21 1x31 h ASP 173 N 0.07 0.18 0.40 3.10 3.32 -1.93 -1.61 116.42 119.95 1x31 h ASP 173 Ca 0.35 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.40 1x31 h ASP 173 Cb 0.58 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1x31 h ASP 173 CO -0.63 0.13 -0.30 0.45 -1.72 0.00 0.00 179.24 177.17 1x31 h HIS 174 N 0.35 0.00 -0.30 4.55 3.86 -1.72 -0.80 115.15 121.10 1x31 h HIS 174 Ca 0.24 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.37 1x31 h HIS 174 Cb 0.26 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1x31 h HIS 174 CO -0.16 0.30 -0.12 0.28 0.86 0.00 0.00 177.93 179.09 1x31 h VAL 175 N 0.00 1.29 -0.23 2.45 2.07 -0.55 -0.09 116.25 121.18 1x31 h VAL 175 Ca -0.00 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1x31 h VAL 175 Cb 0.59 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1x31 h VAL 175 CO 0.04 0.39 0.08 0.00 0.02 0.00 0.00 177.57 178.10 1x31 h ALA 176 N 0.77 0.31 -0.10 1.67 0.00 -0.91 -2.12 119.26 118.87 1x31 h ALA 176 Ca 0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1x31 h ALA 176 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1x31 h ALA 176 CO 0.04 -0.08 -0.16 -1.49 0.00 0.00 0.00 179.25 177.55 1x31 h TRP 177 N 0.22 0.17 -0.27 0.00 6.55 -1.10 -0.42 115.95 121.09 1x31 h TRP 177 Ca 0.08 -0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.86 1x31 h TRP 177 Cb 0.21 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 1x31 h TRP 177 CO -0.00 0.32 0.00 0.00 -1.05 0.00 0.00 178.44 177.71 1x31 h ALA 178 N 1.69 0.37 -0.58 1.49 0.00 -0.67 0.16 119.26 121.71 1x31 h ALA 178 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1x31 h ALA 178 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1x31 h ALA 178 CO 0.02 0.11 0.07 0.74 0.00 0.00 0.00 179.25 180.19 1x31 h PHE 179 N 0.27 1.06 -0.30 0.00 -1.00 -1.06 -2.26 116.94 113.64 1x31 h PHE 179 Ca 0.08 -0.16 -0.09 0.00 2.81 0.00 0.00 57.97 60.61 1x31 h PHE 179 Cb 0.42 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1x31 h PHE 179 CO 0.03 0.93 -0.18 0.00 -1.61 0.00 0.00 178.31 177.48 1x31 h ALA 180 N 1.00 1.13 -0.19 2.45 0.00 -0.91 -0.34 119.26 122.40 1x31 h ALA 180 Ca 0.17 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1x31 h ALA 180 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x31 h ALA 180 CO 0.02 0.54 -0.18 -0.09 0.00 0.00 0.00 179.25 179.54 1x31 h ARG 181 N 0.50 0.46 -0.41 0.00 2.43 -0.47 -1.28 114.38 115.60 1x31 h ARG 181 Ca 0.08 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 1x31 h ARG 181 Cb 0.59 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1x31 h ARG 181 CO 0.04 0.81 -0.05 0.87 -1.51 0.00 0.00 179.97 180.13 1x31 h LYS 182 N 0.12 0.76 -0.50 0.20 1.79 -1.32 -1.68 116.57 115.94 1x31 h LYS 182 Ca 0.03 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1x31 h LYS 182 Cb 0.72 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 1x31 h LYS 182 CO 0.05 0.87 0.26 0.00 -1.08 0.00 0.00 179.45 179.54 1x31 h ALA 183 N 0.87 0.65 -0.70 3.86 0.00 -1.09 -1.69 119.26 121.16 1x31 h ALA 183 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x31 h ALA 183 Cb 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1x31 h ALA 183 CO 0.03 0.19 0.41 -0.97 0.00 0.00 0.00 179.25 178.91 1x31 h ASN 184 N 0.67 0.85 -0.32 0.00 -1.24 -1.14 -1.35 115.58 113.06 1x31 h ASN 184 Ca 0.18 -0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.03 1x31 h ASN 184 Cb 0.09 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.90 1x31 h ASN 184 CO -0.02 0.67 -0.15 -0.08 -1.29 0.00 0.00 177.43 176.55 1x31 h GLU 185 N 0.97 0.77 0.00 6.67 4.81 -0.73 -2.71 114.58 124.36 1x31 h GLU 185 Ca 0.25 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1x31 h GLU 185 Cb -0.01 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1x31 h GLU 185 CO -0.04 0.87 0.00 -1.33 -0.73 0.00 0.00 179.01 177.78 1x31 n MET 186 N -4.15 0.99 0.00 1.92 2.81 -0.69 -4.86 117.12 113.15 1x31 n MET 186 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1x31 n MET 186 Cb 0.39 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 1x31 n MET 186 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x31 n GLY 187 N 0.61 0.39 3.75 3.03 0.00 -1.02 -4.89 105.19 107.07 1x31 n GLY 187 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1x31 n GLY 187 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x31 s VAL 188 N -2.00 2.62 -0.30 1.61 1.01 -0.55 -4.75 120.40 118.05 1x31 s VAL 188 Ca 0.00 0.55 -0.15 0.00 0.00 0.00 0.00 61.98 62.37 1x31 s VAL 188 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1x31 s VAL 188 CO 0.00 0.10 0.39 -1.81 0.00 0.00 0.00 175.10 173.78 1x31 s ASP 189 N 0.18 6.25 -0.38 3.32 1.11 -0.74 -4.26 116.67 122.15 1x31 s ASP 189 Ca 0.57 0.14 -0.14 0.00 0.18 0.00 0.00 52.55 53.29 1x31 s ASP 189 Cb -0.42 -2.22 0.00 0.00 1.07 0.00 0.00 42.92 41.36 1x31 s ASP 189 CO 0.46 -0.26 0.28 -0.63 1.18 0.00 0.00 175.17 176.20 1x31 s ILE 190 N 2.11 5.26 -0.25 0.77 1.01 -1.26 -0.57 121.20 128.28 1x31 s ILE 190 Ca 0.15 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1x31 s ILE 190 Cb -0.16 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1x31 s ILE 190 CO 0.11 -0.19 0.04 -0.63 0.00 0.00 0.00 174.94 174.27 1x31 s ILE 191 N 1.71 4.03 0.42 2.92 -1.09 0.63 -4.51 121.20 125.32 1x31 s ILE 191 Ca 0.06 -0.30 0.08 0.00 -2.23 0.00 0.00 60.65 58.25 1x31 s ILE 191 Cb -0.18 -2.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1x31 s ILE 191 CO 0.10 0.34 0.44 -1.10 -1.23 0.00 0.00 174.94 173.50 1x31 s GLN 192 N 1.57 2.60 -1.38 2.79 -0.21 -1.26 -0.83 119.66 122.94 1x31 s GLN 192 Ca 0.06 -1.47 -0.10 0.00 0.02 0.00 0.00 55.36 53.88 1x31 s GLN 192 Cb -0.15 -2.48 0.07 0.00 1.00 0.00 0.00 33.01 31.44 1x31 s GLN 192 CO 0.02 -0.24 0.59 0.09 -2.12 0.00 0.00 175.29 173.63 1x31 n ASN 193 N -1.65 -4.26 -3.86 5.90 3.02 0.11 -4.87 115.26 109.65 1x31 n ASN 193 Ca 0.05 -0.45 -0.30 0.00 -0.03 0.00 0.00 54.58 53.84 1x31 n ASN 193 Cb 0.61 -3.48 -0.15 0.00 -0.61 0.00 0.00 39.78 36.15 1x31 n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x31 s GLU 195 N 1.16 4.13 -0.20 0.00 2.12 -1.26 -2.75 118.70 121.90 1x31 s GLU 195 Ca 0.11 0.24 -0.29 0.00 0.36 0.00 0.00 54.97 55.39 1x31 s GLU 195 Cb -0.19 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1x31 s GLU 195 CO -0.15 -0.17 1.34 0.08 -0.54 0.00 0.00 175.26 175.82 1x31 s VAL 196 N 1.71 4.13 -1.27 3.70 1.01 -1.26 -1.90 120.40 126.52 1x31 s VAL 196 Ca 0.20 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.62 1x31 s VAL 196 Cb -0.15 -3.97 0.10 0.00 0.00 0.00 0.00 36.38 32.36 1x31 s VAL 196 CO 0.09 -0.24 0.87 0.35 0.00 0.00 0.00 175.10 176.17 1x31 n THR 197 N 5.71 0.09 -3.77 3.92 -2.24 0.60 -4.98 114.28 113.62 1x31 n THR 197 Ca 0.15 -0.55 0.04 0.00 -2.27 0.00 0.00 64.05 61.42 1x31 n THR 197 Cb 0.45 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1x31 n THR 197 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x31 s GLY 198 N -0.89 -0.36 0.10 3.38 0.00 -1.09 -4.96 107.32 103.50 1x31 s GLY 198 Ca 0.13 0.58 0.04 0.00 0.00 0.00 0.00 44.72 45.47 1x31 s GLY 198 CO 0.13 3.06 -0.10 -1.36 0.00 0.00 0.00 173.10 174.84 1x31 s PHE 199 N -2.05 1.10 -0.07 1.90 0.08 -1.26 -0.97 117.98 116.71 1x31 s PHE 199 Ca 0.22 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.61 1x31 s PHE 199 Cb 0.04 -0.59 -0.03 0.00 -0.57 0.00 0.00 43.02 41.87 1x31 s PHE 199 CO -0.05 0.01 -0.08 -0.51 -0.10 0.00 0.00 175.22 174.49 1x31 s LEU 200 N -2.55 3.08 0.11 -0.37 1.43 -0.44 -4.86 118.68 115.07 1x31 s LEU 200 Ca 0.07 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1x31 s LEU 200 Cb -0.02 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1x31 s LEU 200 CO 0.00 0.35 -0.05 -0.54 0.23 0.00 0.00 176.35 176.34 1x31 s LYS 201 N -0.74 0.88 -0.08 1.70 1.02 -1.26 0.38 119.74 121.63 1x31 s LYS 201 Ca 0.11 -1.37 0.16 0.00 0.02 0.00 0.00 55.97 54.90 1x31 s LYS 201 Cb -0.11 -0.21 -0.24 0.00 -0.52 0.00 0.00 37.83 36.75 1x31 s LYS 201 CO 0.01 -0.04 0.25 -0.40 -0.92 0.00 0.00 175.35 174.26 1x31 n ASP 202 N -0.07 1.02 0.00 2.83 5.75 -0.84 -4.87 116.55 120.36 1x31 n ASP 202 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 1x31 n ASP 202 Cb 0.61 1.43 0.00 0.00 -1.03 0.00 0.00 41.12 42.13 1x31 n ASP 202 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x31 n GLY 203 N 1.71 -2.09 0.26 6.12 0.00 -1.26 -4.93 105.19 104.99 1x31 n GLY 203 Ca -0.13 0.66 0.02 0.00 0.00 0.00 0.00 46.02 46.57 1x31 n GLY 203 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x31 n GLU 204 N -1.64 0.51 -4.75 1.61 -0.58 -1.26 -5.04 120.64 109.48 1x31 n GLU 204 Ca 0.00 -1.22 -0.28 0.00 -0.42 0.00 0.00 57.16 55.24 1x31 n GLU 204 Cb 0.00 -0.73 -0.17 0.00 -0.57 0.00 0.00 31.44 29.97 1x31 n GLU 204 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1x31 s LYS 205 N -0.63 2.29 0.36 3.49 2.20 -1.26 -0.83 119.74 125.36 1x31 s LYS 205 Ca 0.06 -0.61 -0.27 0.00 -0.36 0.00 0.00 55.97 54.79 1x31 s LYS 205 Cb 0.05 -1.83 -0.09 0.00 -1.51 0.00 0.00 37.83 34.45 1x31 s LYS 205 CO 0.01 0.05 1.21 0.54 -0.36 0.00 0.00 175.35 176.80 1x31 s VAL 206 N 0.65 3.02 0.00 4.02 0.11 -0.98 -1.99 120.40 125.23 1x31 s VAL 206 Ca -0.14 0.94 0.00 0.00 -2.93 0.00 0.00 61.98 59.85 1x31 s VAL 206 Cb -0.16 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1x31 s VAL 206 CO 0.04 0.16 0.24 0.35 -3.33 0.00 0.00 175.10 172.56 1x31 n THR 207 N 0.48 0.00 -1.65 5.04 -2.24 0.16 -4.81 114.28 111.26 1x31 n THR 207 Ca 0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1x31 n THR 207 Cb 0.44 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 1x31 n THR 207 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x31 n GLY 208 N 0.08 -1.90 3.01 3.38 0.00 -1.22 -0.24 105.19 108.30 1x31 n GLY 208 Ca 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 1x31 n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x31 s VAL 209 N -2.45 0.33 -0.17 1.61 -7.23 0.74 -1.33 120.40 111.91 1x31 s VAL 209 Ca 0.00 -0.87 -0.08 0.00 -1.81 0.00 0.00 61.98 59.22 1x31 s VAL 209 Cb 0.00 -0.41 -0.04 0.00 0.56 0.00 0.00 36.38 36.48 1x31 s VAL 209 CO 0.00 -0.36 0.11 -0.75 -0.31 0.00 0.00 175.10 173.79 1x31 s LYS 210 N -1.30 3.86 0.30 4.82 2.47 -0.15 -0.56 119.74 129.18 1x31 s LYS 210 Ca -0.11 -0.24 0.03 0.00 -1.56 0.00 0.00 55.97 54.10 1x31 s LYS 210 Cb -0.09 -3.27 -0.04 0.00 -1.46 0.00 0.00 37.83 32.98 1x31 s LYS 210 CO -0.00 0.45 0.16 0.95 0.16 0.00 0.00 175.35 177.07 1x31 s THR 211 N -0.09 0.30 -1.78 3.43 -4.23 -0.92 -0.29 115.64 112.05 1x31 s THR 211 Ca 0.09 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.83 1x31 s THR 211 Cb -0.12 -2.52 0.56 0.00 1.34 0.00 0.00 72.50 71.76 1x31 s THR 211 CO 0.00 0.00 1.74 0.35 -0.54 0.00 0.00 174.62 176.17 1x31 n THR 212 N -0.56 0.12 -0.40 3.99 -2.24 -0.80 -2.38 114.28 112.02 1x31 n THR 212 Ca 0.01 0.03 0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1x31 n THR 212 Cb 0.65 -0.67 0.05 0.00 -2.10 0.00 0.00 70.33 68.26 1x31 n THR 212 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x31 n ARG 213 N -1.11 2.33 0.00 -0.78 1.74 -1.26 -4.96 116.66 112.63 1x31 n ARG 213 Ca 0.15 -1.84 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 1x31 n ARG 213 Cb 0.12 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1x31 n ARG 213 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x31 n GLY 214 N -0.80 2.48 3.80 -0.13 0.00 -1.00 -4.91 105.19 104.64 1x31 n GLY 214 Ca 0.05 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.60 1x31 n GLY 214 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x31 s THR 215 N -2.09 4.37 -0.14 2.61 2.01 -1.26 -2.16 115.64 118.98 1x31 s THR 215 Ca 0.00 1.55 -0.03 0.00 0.31 0.00 0.00 61.69 63.52 1x31 s THR 215 Cb 0.00 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.72 1x31 s THR 215 CO 0.00 -0.00 0.04 -0.63 -0.69 0.00 0.00 174.62 173.34 1x31 s ILE 216 N -1.78 0.31 0.43 1.82 1.01 0.28 -4.87 121.20 118.40 1x31 s ILE 216 Ca 0.52 -0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.75 1x31 s ILE 216 Cb -0.15 -0.72 -0.09 0.00 0.01 0.00 0.00 42.46 41.51 1x31 s ILE 216 CO 0.20 -0.05 1.02 -0.76 0.00 0.00 0.00 174.94 175.35 1x31 s LEU 217 N 1.97 4.01 -0.04 2.97 1.43 -0.82 -0.19 118.68 128.00 1x31 s LEU 217 Ca 0.02 1.93 -0.16 0.00 -1.03 0.00 0.00 54.13 54.89 1x31 s LEU 217 Cb -0.15 -4.37 0.03 0.00 0.03 0.00 0.00 46.19 41.73 1x31 s LEU 217 CO -0.07 -0.56 0.37 0.00 0.23 0.00 0.00 176.35 176.32 1x31 s ALA 218 N -1.86 -0.93 0.06 4.21 0.00 0.67 -1.73 121.76 122.18 1x31 s ALA 218 Ca 0.62 0.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 1x31 s ALA 218 Cb -0.18 -0.07 -0.29 0.00 0.00 0.00 0.00 23.12 22.58 1x31 s ALA 218 CO 0.22 -0.26 1.10 0.78 0.00 0.00 0.00 175.76 177.60 1x31 h GLY 219 N 4.09 0.57 -5.07 0.00 0.00 -1.22 -3.36 103.07 98.08 1x31 h GLY 219 Ca -0.29 -1.30 -0.17 0.00 0.00 0.00 0.00 47.33 45.57 1x31 h GLY 219 CO 0.37 1.14 -0.58 0.54 0.00 0.00 0.00 176.54 178.02 1x31 s LYS 220 N -2.82 0.31 -0.06 4.80 1.02 -0.31 -4.89 119.74 117.80 1x31 s LYS 220 Ca -0.08 -0.25 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1x31 s LYS 220 Cb 0.06 0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.50 1x31 s LYS 220 CO 0.92 -0.06 -0.14 0.08 -0.92 0.00 0.00 175.35 175.23 1x31 s VAL 221 N -0.88 1.22 -0.12 3.17 1.01 -0.71 -1.02 120.40 123.07 1x31 s VAL 221 Ca -0.10 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1x31 s VAL 221 Cb -0.06 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1x31 s VAL 221 CO 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 175.10 175.33 1x31 s ALA 222 N 0.46 2.56 -0.28 5.51 0.00 0.39 -1.26 121.76 129.14 1x31 s ALA 222 Ca -0.11 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 1x31 s ALA 222 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1x31 s ALA 222 CO 0.03 0.29 0.17 -0.51 0.00 0.00 0.00 175.76 175.75 1x31 s LEU 223 N 0.22 3.97 -0.38 0.00 1.43 -0.01 -0.03 118.68 123.88 1x31 s LEU 223 Ca -0.09 -0.09 0.12 0.00 -1.03 0.00 0.00 54.13 53.03 1x31 s LEU 223 Cb -0.16 -2.09 0.37 0.00 0.03 0.00 0.00 46.19 44.35 1x31 s LEU 223 CO 0.06 -0.07 0.81 0.00 0.23 0.00 0.00 176.35 177.38 1x31 n ALA 224 N 5.04 2.65 0.42 4.21 0.00 0.40 -0.48 120.51 132.76 1x31 n ALA 224 Ca -0.14 -3.51 0.11 0.00 0.00 0.00 0.00 53.44 49.89 1x31 n ALA 224 Cb 0.52 -0.90 0.26 0.00 0.00 0.00 0.00 19.45 19.33 1x31 n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x31 n GLY 225 N 0.14 1.47 7.00 0.00 0.00 -1.21 -4.26 105.19 108.31 1x31 n GLY 225 Ca 0.23 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1x31 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x31 n ALA 226 N 1.18 0.00 -0.18 4.61 0.00 -1.26 -0.58 120.51 124.28 1x31 n ALA 226 Ca 0.19 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.92 1x31 n ALA 226 Cb 0.52 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.69 1x31 n ALA 226 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1x31 h GLY 227 N 0.00 0.00 -2.99 0.00 0.00 -1.92 -0.23 103.07 97.93 1x31 h GLY 227 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x31 h GLY 227 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 1x31 n HIS 228 N -4.16 1.44 -0.31 5.60 -0.00 0.25 -4.61 115.22 113.43 1x31 n HIS 228 Ca 0.19 -0.57 0.06 0.00 -0.00 0.00 0.00 57.72 57.39 1x31 n HIS 228 Cb 0.99 -0.23 0.26 0.00 -0.00 0.00 0.00 29.99 31.01 1x31 n HIS 228 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1x31 h SER 229 N 3.98 0.88 -0.37 0.41 0.02 -1.11 -2.22 113.55 115.13 1x31 h SER 229 Ca 0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1x31 h SER 229 Cb 1.40 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1x31 h SER 229 CO 0.22 0.52 0.07 0.28 -1.14 0.00 0.00 176.83 176.79 1x31 h SER 230 N 0.97 0.64 -0.42 3.07 0.02 -1.83 0.40 113.55 116.40 1x31 h SER 230 Ca 0.43 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1x31 h SER 230 Cb 0.36 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1x31 h SER 230 CO -0.19 0.66 0.06 0.58 -1.14 0.00 0.00 176.83 176.80 1x31 h VAL 231 N 0.66 1.25 -0.02 2.27 2.07 -1.75 -1.75 116.25 118.97 1x31 h VAL 231 Ca 0.15 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1x31 h VAL 231 Cb 0.30 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1x31 h VAL 231 CO 0.00 0.31 -0.01 -0.07 0.02 0.00 0.00 177.57 177.83 1x31 h LEU 232 N 0.56 0.05 -0.64 2.57 3.38 -1.27 -2.39 115.31 117.57 1x31 h LEU 232 Ca 0.13 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.78 1x31 h LEU 232 Cb 0.39 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1x31 h LEU 232 CO 0.01 0.45 0.28 0.00 0.09 0.00 0.00 178.44 179.27 1x31 h ALA 233 N 0.61 0.85 -0.60 1.53 0.00 -0.93 0.25 119.26 120.97 1x31 h ALA 233 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1x31 h ALA 233 Cb 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1x31 h ALA 233 CO 0.00 -0.13 0.35 1.49 0.00 0.00 0.00 179.25 180.96 1x31 h GLU 234 N 0.49 0.82 -0.17 0.00 4.81 -1.29 0.36 114.58 119.60 1x31 h GLU 234 Ca 0.32 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 1x31 h GLU 234 Cb 0.36 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1x31 h GLU 234 CO -0.28 0.59 -0.50 -0.07 -0.73 0.00 0.00 179.01 178.02 1x31 h LEU 235 N 0.83 0.49 -0.28 1.64 3.38 -0.36 -3.03 115.31 117.98 1x31 h LEU 235 Ca 0.22 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1x31 h LEU 235 Cb -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1x31 h LEU 235 CO -0.04 0.90 -0.38 0.00 0.09 0.00 0.00 178.44 179.02 1x31 h ALA 236 N 1.11 0.80 -0.06 1.53 0.00 0.52 -3.40 119.26 119.76 1x31 h ALA 236 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1x31 h ALA 236 Cb 1.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1x31 h ALA 236 CO 0.09 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1x31 n GLY 237 N 0.94 1.47 3.31 0.00 0.00 0.11 -5.03 105.19 105.99 1x31 n GLY 237 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1x31 n GLY 237 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x31 s PHE 238 N -2.06 0.57 0.12 1.61 -0.12 -0.90 -5.01 117.98 112.19 1x31 s PHE 238 Ca 0.00 -0.92 -0.05 0.00 -0.05 0.00 0.00 56.93 55.91 1x31 s PHE 238 Cb 0.00 -0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.16 1x31 s PHE 238 CO 0.00 -0.69 0.36 -1.21 -0.05 0.00 0.00 175.22 173.63 1x31 s GLU 239 N -4.01 3.61 -0.08 1.99 2.02 -1.26 -4.04 118.70 116.94 1x31 s GLU 239 Ca 0.21 -0.09 -0.01 0.00 0.02 0.00 0.00 54.97 55.10 1x31 s GLU 239 Cb 0.04 -2.89 0.03 0.00 0.10 0.00 0.00 34.13 31.41 1x31 s GLU 239 CO 0.02 0.50 -0.01 -0.51 0.02 0.00 0.00 175.26 175.28 1x31 s LEU 240 N -2.53 0.71 -1.47 1.80 1.43 -1.26 -5.06 118.68 112.30 1x31 s LEU 240 Ca 0.39 -0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 1x31 s LEU 240 Cb -0.12 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 1x31 s LEU 240 CO 0.24 -0.18 2.57 -0.81 0.23 0.00 0.00 176.35 178.40 1x31 n PRO 241 N 5.05 3.15 -4.27 1.29 -0.04 -1.26 -4.88 135.00 134.05 1x31 n PRO 241 Ca -0.09 -2.29 -0.15 0.00 -0.04 0.00 0.00 63.50 60.94 1x31 n PRO 241 Cb 0.50 -2.97 -0.10 0.00 -0.04 0.00 0.00 33.50 30.89 1x31 n PRO 241 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1x31 s ILE 242 N 2.80 1.04 -0.00 0.52 -4.36 -1.26 -4.34 121.20 115.60 1x31 s ILE 242 Ca 0.58 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1x31 s ILE 242 Cb 0.16 -2.02 -0.00 0.00 1.25 0.00 0.00 42.46 41.84 1x31 s ILE 242 CO -0.06 -0.59 -0.05 -1.10 0.24 0.00 0.00 174.94 173.38 1x31 s GLN 243 N -3.81 0.40 -0.26 0.37 -1.52 -0.79 -4.95 119.66 109.09 1x31 s GLN 243 Ca 0.21 -0.20 -0.10 0.00 -1.95 0.00 0.00 55.36 53.32 1x31 s GLN 243 Cb 0.04 -0.37 -0.05 0.00 -0.22 0.00 0.00 33.01 32.41 1x31 s GLN 243 CO 0.03 0.10 0.17 -1.12 -0.25 0.00 0.00 175.29 174.22 1x31 s SER 244 N -0.18 5.95 0.16 5.90 0.01 -1.26 -1.09 113.70 123.20 1x31 s SER 244 Ca 0.01 0.01 0.09 0.00 1.31 0.00 0.00 55.95 57.37 1x31 s SER 244 Cb -0.02 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1x31 s SER 244 CO -0.00 -0.01 -0.19 -1.00 0.41 0.00 0.00 173.24 172.46 1x31 s HIS 245 N 1.48 1.83 0.44 2.43 3.76 0.01 -1.07 115.29 124.17 1x31 s HIS 245 Ca 0.07 -0.46 -0.21 0.00 -0.15 0.00 0.00 55.06 54.31 1x31 s HIS 245 Cb -0.15 -0.92 -0.11 0.00 1.11 0.00 0.00 32.58 32.51 1x31 s HIS 245 CO 0.08 0.32 0.96 -2.14 -0.85 0.00 0.00 174.74 173.11 1x31 s PRO 246 N -2.70 4.17 -0.03 8.40 0.02 -1.25 -0.87 135.00 142.75 1x31 s PRO 246 Ca 0.15 1.14 -0.01 0.00 0.02 0.00 0.00 61.00 62.30 1x31 s PRO 246 Cb -0.06 -2.17 0.03 0.00 0.02 0.00 0.00 34.50 32.32 1x31 s PRO 246 CO 0.06 -0.08 0.06 -1.17 -0.33 0.00 0.00 177.00 175.54 1x31 s LEU 247 N -3.25 0.90 0.20 -5.54 2.96 -1.17 -1.29 118.68 111.50 1x31 s LEU 247 Ca 0.62 0.09 0.06 0.00 -0.22 0.00 0.00 54.13 54.69 1x31 s LEU 247 Cb -0.10 0.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 1x31 s LEU 247 CO 0.14 -0.15 0.16 -1.10 -1.32 0.00 0.00 176.35 174.09 1x31 s GLN 248 N 1.22 2.90 0.23 1.98 -0.21 -1.26 -1.27 119.66 123.24 1x31 s GLN 248 Ca -0.07 -0.95 -0.11 0.00 0.02 0.00 0.00 55.36 54.24 1x31 s GLN 248 Cb -0.13 -2.60 -0.01 0.00 1.00 0.00 0.00 33.01 31.27 1x31 s GLN 248 CO -0.04 0.45 0.41 0.00 -2.12 0.00 0.00 175.29 173.99 1x31 s ALA 249 N -1.91 -0.05 0.21 6.09 0.00 -0.75 -3.82 121.76 121.53 1x31 s ALA 249 Ca 0.32 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 51.11 1x31 s ALA 249 Cb -0.09 1.08 0.04 0.00 0.00 0.00 0.00 23.12 24.14 1x31 s ALA 249 CO 0.24 -0.79 0.62 -0.48 0.00 0.00 0.00 175.76 175.35 1x31 s LEU 250 N -3.02 -0.25 0.08 0.00 0.05 0.55 -1.51 118.68 114.58 1x31 s LEU 250 Ca 0.23 -0.37 0.02 0.00 0.05 0.00 0.00 54.13 54.06 1x31 s LEU 250 Cb 0.01 2.50 -0.04 0.00 -2.05 0.00 0.00 46.19 46.61 1x31 s LEU 250 CO 0.08 -1.13 -0.08 0.68 -0.55 0.00 0.00 176.35 175.35 1x31 s VAL 251 N -3.85 0.72 0.09 1.48 -7.23 -0.57 -0.91 120.40 110.14 1x31 s VAL 251 Ca 0.07 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1x31 s VAL 251 Cb -0.03 -1.32 0.02 0.00 0.56 0.00 0.00 36.38 35.61 1x31 s VAL 251 CO -0.03 -0.66 0.13 -1.54 -0.31 0.00 0.00 175.10 172.69 1x31 n SER 252 N 0.50 0.39 -4.05 4.85 3.41 -0.91 -0.28 113.62 117.53 1x31 n SER 252 Ca -0.16 -1.25 -0.24 0.00 -0.26 0.00 0.00 58.87 56.95 1x31 n SER 252 Cb 0.58 -0.07 0.15 0.00 -0.26 0.00 0.00 64.21 64.62 1x31 n SER 252 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1x31 n GLU 253 N -1.18 -0.64 -2.54 4.33 0.00 -1.18 -4.53 120.64 114.88 1x31 n GLU 253 Ca 0.03 -2.20 -0.41 0.00 0.00 0.00 0.00 57.16 54.58 1x31 n GLU 253 Cb 0.10 -0.95 -0.04 0.00 0.00 0.00 0.00 31.44 30.55 1x31 n GLU 253 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1x31 s LEU 254 N 0.00 4.48 0.04 -1.84 1.43 -1.26 -4.21 118.68 117.32 1x31 s LEU 254 Ca 0.65 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1x31 s LEU 254 Cb -0.03 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1x31 s LEU 254 CO 0.45 -0.22 -0.04 -0.36 0.23 0.00 0.00 176.35 176.41 1x31 s PHE 255 N -0.09 0.51 0.68 0.29 0.08 -0.38 -4.93 117.98 114.13 1x31 s PHE 255 Ca 0.50 -0.73 -0.16 0.00 0.12 0.00 0.00 56.93 56.66 1x31 s PHE 255 Cb -0.28 -0.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 1x31 s PHE 255 CO 0.34 -0.22 1.17 -1.21 -0.10 0.00 0.00 175.22 175.20 1x31 s GLU 256 N -2.53 2.50 -0.17 0.44 2.02 -1.26 -4.56 118.70 115.15 1x31 s GLU 256 Ca -0.04 1.65 -0.39 0.00 0.02 0.00 0.00 54.97 56.22 1x31 s GLU 256 Cb -0.03 -1.89 -0.15 0.00 0.10 0.00 0.00 34.13 32.16 1x31 s GLU 256 CO -0.04 -1.53 1.67 -2.30 0.02 0.00 0.00 175.26 173.08 1x31 n PRO 257 N -2.41 1.31 0.00 0.39 -0.02 -1.26 -4.81 135.00 128.20 1x31 n PRO 257 Ca 0.12 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1x31 n PRO 257 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1x31 n PRO 257 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1x31 n VAL 258 N 4.19 0.00 -3.93 -1.45 0.24 -1.26 -5.01 118.33 111.10 1x31 n VAL 258 Ca 0.24 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.24 1x31 n VAL 258 Cb 0.17 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.39 1x31 n VAL 258 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1x31 s HIS 259 N -0.15 3.15 -0.42 6.34 5.65 -1.26 -4.73 115.29 123.87 1x31 s HIS 259 Ca 0.00 -2.76 0.26 0.00 0.25 0.00 0.00 55.06 52.82 1x31 s HIS 259 Cb 0.00 -2.61 0.90 0.00 -1.18 0.00 0.00 32.58 29.70 1x31 s HIS 259 CO 0.00 -0.89 1.77 -1.00 -0.65 0.00 0.00 174.74 173.97 1x31 h PRO 260 N 7.44 0.00 0.00 2.88 0.13 -1.94 -3.37 132.00 137.14 1x31 h PRO 260 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 1x31 h PRO 260 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1x31 h PRO 260 CO 0.54 0.00 -0.05 -2.37 -0.23 0.00 0.00 178.00 175.89 1x31 n THR 261 N -2.58 0.00 -4.02 1.56 5.66 -1.26 -4.80 114.28 108.84 1x31 n THR 261 Ca 0.03 -0.25 -0.35 0.00 -3.05 0.00 0.00 64.05 60.43 1x31 n THR 261 Cb 0.36 0.10 -0.09 0.00 -1.55 0.00 0.00 70.33 69.15 1x31 n THR 261 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1x31 s VAL 262 N -1.81 4.85 -0.11 1.08 1.01 -0.94 -4.53 120.40 119.96 1x31 s VAL 262 Ca 0.03 -0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1x31 s VAL 262 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1x31 s VAL 262 CO 0.02 0.49 -0.23 -0.69 0.00 0.00 0.00 175.10 174.69 1x31 s VAL 263 N 0.06 2.01 -0.02 2.92 1.01 -0.53 0.57 120.40 126.43 1x31 s VAL 263 Ca 0.06 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1x31 s VAL 263 Cb -0.12 -1.75 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1x31 s VAL 263 CO 0.01 0.55 -0.10 -0.04 0.00 0.00 0.00 175.10 175.51 1x31 s MET 264 N 0.46 1.01 -0.17 2.72 -1.94 0.95 -1.31 119.30 121.02 1x31 s MET 264 Ca -0.16 -0.35 -0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1x31 s MET 264 Cb -0.17 -0.94 0.08 0.00 2.01 0.00 0.00 34.83 35.80 1x31 s MET 264 CO 0.06 0.15 0.18 0.45 -0.01 0.00 0.00 175.02 175.86 1x31 s SER 265 N 0.07 1.44 0.07 3.03 0.15 0.60 -1.06 113.70 118.00 1x31 s SER 265 Ca -0.01 -0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.30 1x31 s SER 265 Cb -0.08 0.23 -0.17 0.00 -1.71 0.00 0.00 66.02 64.29 1x31 s SER 265 CO 0.00 -0.31 1.26 0.78 1.20 0.00 0.00 173.24 176.17 1x31 h ASN 266 N 8.35 0.80 -0.88 5.45 2.35 -1.85 -0.04 115.58 129.76 1x31 h ASN 266 Ca -0.16 -0.64 0.04 0.00 -0.55 0.00 0.00 56.30 54.99 1x31 h ASN 266 Cb 1.14 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.22 1x31 h ASN 266 CO 0.25 1.31 0.56 -0.74 -1.65 0.00 0.00 177.43 177.17 1x31 h HIS 267 N 0.34 1.05 -0.45 1.19 2.76 -1.96 -2.65 115.15 115.43 1x31 h HIS 267 Ca -0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1x31 h HIS 267 Cb 1.31 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.92 1x31 h HIS 267 CO 0.10 0.58 0.00 0.44 -1.30 0.00 0.00 177.93 177.75 1x31 n ILE 268 N -4.56 1.21 -3.61 6.26 -5.35 -1.24 -5.02 119.36 107.04 1x31 n ILE 268 Ca 0.12 -1.11 -0.25 0.00 -0.27 0.00 0.00 62.75 61.24 1x31 n ILE 268 Cb 0.12 0.39 0.03 0.00 -1.74 0.00 0.00 39.64 38.43 1x31 n ILE 268 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1x31 n HIS 269 N 0.70 -2.11 -4.06 4.28 8.25 -0.15 -4.75 115.22 117.38 1x31 n HIS 269 Ca 0.17 0.64 -0.19 0.00 -0.26 0.00 0.00 57.72 58.07 1x31 n HIS 269 Cb 0.56 -3.38 -0.16 0.00 1.12 0.00 0.00 29.99 28.13 1x31 n HIS 269 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1x31 s VAL 270 N -3.28 0.42 -0.14 1.59 1.01 -0.47 -4.66 120.40 114.88 1x31 s VAL 270 Ca 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1x31 s VAL 270 Cb -0.11 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.84 1x31 s VAL 270 CO 0.85 0.21 0.06 -0.31 0.00 0.00 0.00 175.10 175.91 1x31 s TYR 271 N 1.04 0.38 0.00 5.22 2.02 -1.19 -0.29 117.35 124.53 1x31 s TYR 271 Ca -0.09 -0.28 -0.15 0.00 -0.37 0.00 0.00 57.07 56.18 1x31 s TYR 271 Cb -0.14 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.72 1x31 s TYR 271 CO -0.01 -0.44 0.32 0.54 -1.57 0.00 0.00 175.55 174.39 1x31 s VAL 272 N 2.07 0.06 0.16 0.71 0.11 -0.43 -1.90 120.40 121.19 1x31 s VAL 272 Ca 0.02 -0.53 -0.15 0.00 -2.93 0.00 0.00 61.98 58.39 1x31 s VAL 272 Cb -0.15 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1x31 s VAL 272 CO -0.07 -0.29 0.43 -0.94 -3.33 0.00 0.00 175.10 170.90 1x31 s SER 273 N -1.57 -0.20 -0.25 3.54 1.04 -1.00 -1.45 113.70 113.82 1x31 s SER 273 Ca -0.11 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 1x31 s SER 273 Cb -0.04 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.61 1x31 s SER 273 CO 0.02 -0.94 -0.04 -1.58 0.98 0.00 0.00 173.24 171.68 1x31 s GLN 274 N -3.86 2.97 0.87 4.02 0.74 -1.26 -0.27 119.66 122.87 1x31 s GLN 274 Ca 0.08 -0.89 -0.11 0.00 0.05 0.00 0.00 55.36 54.48 1x31 s GLN 274 Cb 0.01 -3.03 0.12 0.00 1.10 0.00 0.00 33.01 31.21 1x31 s GLN 274 CO -0.07 -0.37 1.17 0.00 -0.55 0.00 0.00 175.29 175.48 1x31 s ALA 275 N 1.38 1.62 0.41 1.58 0.00 0.88 -4.84 121.76 122.78 1x31 s ALA 275 Ca 0.02 0.70 0.08 0.00 0.00 0.00 0.00 51.96 52.75 1x31 s ALA 275 Cb -0.16 -3.47 0.86 0.00 0.00 0.00 0.00 23.12 20.35 1x31 s ALA 275 CO -0.04 -2.57 2.04 1.25 0.00 0.00 0.00 175.76 176.44 1x31 h HIS 276 N -1.48 0.53 0.00 0.00 2.76 -1.96 0.17 115.15 115.17 1x31 h HIS 276 Ca -0.44 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 57.72 1x31 h HIS 276 Cb 1.28 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 30.06 1x31 h HIS 276 CO 0.49 0.32 -0.10 -0.22 -1.30 0.00 0.00 177.93 177.12 1x31 h LYS 277 N 0.56 0.00 0.00 5.26 3.64 -1.97 -3.46 116.57 120.60 1x31 h LYS 277 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1x31 h LYS 277 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1x31 h LYS 277 CO -0.04 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 177.65 1x31 n GLY 278 N -0.93 1.45 3.87 5.01 0.00 0.61 -4.75 105.19 110.45 1x31 n GLY 278 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1x31 n GLY 278 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x31 s GLU 279 N -0.00 3.84 0.22 1.61 1.03 -1.26 -1.25 118.70 122.89 1x31 s GLU 279 Ca 0.00 0.35 -0.30 0.00 0.03 0.00 0.00 54.97 55.05 1x31 s GLU 279 Cb 0.00 -2.61 -0.09 0.00 -0.80 0.00 0.00 34.13 30.63 1x31 s GLU 279 CO 0.00 0.29 0.95 -0.51 -1.33 0.00 0.00 175.26 174.67 1x31 s LEU 280 N -2.83 4.62 -0.20 1.83 1.43 -1.26 -0.09 118.68 122.19 1x31 s LEU 280 Ca 0.48 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1x31 s LEU 280 Cb -0.11 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1x31 s LEU 280 CO 0.20 0.11 -0.16 -0.69 0.23 0.00 0.00 176.35 176.04 1x31 s VAL 281 N -1.00 2.36 0.02 -1.59 1.01 0.63 -2.14 120.40 119.69 1x31 s VAL 281 Ca 0.42 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1x31 s VAL 281 Cb -0.26 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1x31 s VAL 281 CO 0.32 0.47 -0.13 -0.32 0.00 0.00 0.00 175.10 175.44 1x31 s MET 282 N 1.32 0.94 0.23 2.72 0.00 -0.09 -2.37 119.30 122.05 1x31 s MET 282 Ca 0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 55.69 55.08 1x31 s MET 282 Cb -0.14 -0.93 -0.03 0.00 0.00 0.00 0.00 34.83 33.73 1x31 s MET 282 CO -0.10 0.24 0.19 0.20 0.00 0.00 0.00 175.02 175.54 1x31 s GLY 283 N -0.86 1.49 0.00 2.11 0.00 -0.80 -0.33 107.32 108.93 1x31 s GLY 283 Ca 0.02 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1x31 s GLY 283 CO 0.01 -1.33 0.00 0.00 0.00 0.00 0.00 173.10 171.77 1x31 n ALA 284 N -0.34 0.00 -1.18 3.20 0.00 -1.25 -3.15 120.51 117.79 1x31 n ALA 284 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1x31 n ALA 284 Cb 0.65 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.21 1x31 n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x31 n GLY 285 N 0.00 -0.23 3.84 0.00 0.00 -1.26 -4.84 105.19 102.71 1x31 n GLY 285 Ca 0.00 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1x31 n GLY 285 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1x31 s ILE 286 N -2.02 4.58 -0.09 -0.61 2.07 -1.26 -4.53 121.20 119.33 1x31 s ILE 286 Ca 0.73 1.12 -0.30 0.00 -1.41 0.00 0.00 60.65 60.79 1x31 s ILE 286 Cb -0.31 -3.64 -0.02 0.00 0.13 0.00 0.00 42.46 38.62 1x31 s ILE 286 CO 0.51 -0.36 1.09 -1.81 -1.91 0.00 0.00 174.94 172.46 1x31 s ASP 287 N -2.50 7.16 0.53 4.50 1.01 -0.41 -4.95 116.67 122.01 1x31 s ASP 287 Ca 0.57 1.64 0.20 0.00 0.71 0.00 0.00 52.55 55.66 1x31 s ASP 287 Cb -0.10 -2.56 1.39 0.00 1.01 0.00 0.00 42.92 42.66 1x31 s ASP 287 CO 0.20 -0.52 2.16 0.77 0.21 0.00 0.00 175.17 177.99 1x31 h SER 288 N 7.28 0.00 -3.59 0.27 4.64 -1.96 -3.37 113.55 116.82 1x31 h SER 288 Ca -0.32 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.52 1x31 h SER 288 Cb 1.15 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.28 1x31 h SER 288 CO 0.87 0.02 0.14 -0.72 -0.87 0.00 0.00 176.83 176.28 1x31 s TYR 289 N -4.89 3.38 0.18 4.77 -0.85 -1.26 -5.04 117.35 113.64 1x31 s TYR 289 Ca -0.05 0.70 -0.30 0.00 -0.52 0.00 0.00 57.07 56.91 1x31 s TYR 289 Cb 0.16 -2.55 -0.08 0.00 0.38 0.00 0.00 41.96 39.88 1x31 s TYR 289 CO 0.64 -0.59 1.14 -0.80 -1.52 0.00 0.00 175.55 174.42 1x31 s ASN 290 N -4.22 7.19 -0.27 -0.18 -0.87 -1.26 -4.30 114.94 111.03 1x31 s ASN 290 Ca 0.51 2.14 -0.25 0.00 -1.57 0.00 0.00 52.86 53.69 1x31 s ASN 290 Cb -0.10 -2.60 0.08 0.00 -0.02 0.00 0.00 41.25 38.60 1x31 s ASN 290 CO 0.45 -0.29 0.80 -0.83 -2.57 0.00 0.00 177.10 174.66 1x31 s GLY 291 N 0.03 -0.44 -0.03 0.66 0.00 -0.23 -4.93 107.32 102.38 1x31 s GLY 291 Ca 0.51 2.19 0.06 0.00 0.00 0.00 0.00 44.72 47.47 1x31 s GLY 291 CO 0.35 1.76 1.10 -1.72 0.00 0.00 0.00 173.10 174.59 1x31 n TYR 292 N 2.56 0.15 1.06 1.90 4.01 -1.26 -3.86 117.16 121.71 1x31 n TYR 292 Ca -0.14 -0.59 0.13 0.00 -0.16 0.00 0.00 57.90 57.15 1x31 n TYR 292 Cb 0.55 -0.07 0.62 0.00 -0.31 0.00 0.00 39.34 40.13 1x31 n TYR 292 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x31 n GLY 293 N -0.41 -1.37 3.05 2.72 0.00 -1.26 -4.90 105.19 103.01 1x31 n GLY 293 Ca 0.06 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1x31 n GLY 293 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x31 n GLN 294 N -1.43 -4.65 -3.69 1.61 6.02 -1.26 -4.95 117.38 109.03 1x31 n GLN 294 Ca 0.09 0.86 -0.10 0.00 -0.01 0.00 0.00 57.00 57.84 1x31 n GLN 294 Cb 0.29 -5.70 -0.03 0.00 1.02 0.00 0.00 30.24 25.82 1x31 n GLN 294 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1x31 s ARG 295 N -5.73 1.39 0.37 -1.09 1.70 -1.26 -2.76 118.95 111.57 1x31 s ARG 295 Ca 0.31 -0.80 -0.10 0.00 -0.47 0.00 0.00 55.73 54.66 1x31 s ARG 295 Cb -0.14 0.54 0.03 0.00 -0.57 0.00 0.00 34.95 34.81 1x31 s ARG 295 CO 0.38 -0.60 0.65 0.20 -1.08 0.00 0.00 175.30 174.86 1x31 s GLY 296 N -2.85 0.85 0.56 3.88 0.00 -1.26 -4.79 107.32 103.70 1x31 s GLY 296 Ca 0.08 -1.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.53 1x31 s GLY 296 CO -0.04 -0.60 1.18 0.00 0.00 0.00 0.00 173.10 173.64 1x31 s ALA 297 N -2.66 2.65 0.10 3.20 0.00 -1.26 -4.96 121.76 118.83 1x31 s ALA 297 Ca 0.22 0.95 0.19 0.00 0.00 0.00 0.00 51.96 53.32 1x31 s ALA 297 Cb -0.03 -3.42 0.62 0.00 0.00 0.00 0.00 23.12 20.29 1x31 s ALA 297 CO 0.15 -0.98 1.70 0.35 0.00 0.00 0.00 175.76 176.98 1x31 h PHE 298 N 1.13 0.00 -0.00 0.00 3.57 -2.02 -3.19 116.94 116.44 1x31 h PHE 298 Ca -0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1x31 h PHE 298 Cb 1.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.02 1x31 h PHE 298 CO 0.49 0.37 0.00 1.12 -2.23 0.00 0.00 178.31 178.06 1x31 h HIS 299 N 0.00 0.00 -0.63 0.41 2.07 -1.99 0.66 115.15 115.67 1x31 h HIS 299 Ca -0.00 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.45 1x31 h HIS 299 Cb 0.96 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.91 1x31 h HIS 299 CO 0.00 0.00 0.13 0.28 -3.07 0.00 0.00 177.93 175.27 1x31 h VAL 300 N 0.00 1.25 -0.01 6.12 2.07 -1.96 -2.04 116.25 121.69 1x31 h VAL 300 Ca 0.00 -0.95 -0.23 0.00 0.82 0.00 0.00 66.70 66.34 1x31 h VAL 300 Cb 0.01 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1x31 h VAL 300 CO -0.00 0.36 -0.95 0.40 0.02 0.00 0.00 177.57 177.39 1x31 h ILE 301 N 0.95 1.37 -0.68 4.57 2.04 -1.09 -3.03 117.51 121.64 1x31 h ILE 301 Ca 0.20 -2.38 -0.04 0.00 1.00 0.00 0.00 64.86 63.64 1x31 h ILE 301 Cb 0.37 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.81 1x31 h ILE 301 CO 0.00 0.72 0.28 -0.33 0.00 0.00 0.00 178.15 178.82 1x31 h GLU 302 N 0.28 0.99 -0.58 2.37 5.08 -1.19 -1.10 114.58 120.43 1x31 h GLU 302 Ca -0.09 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.02 1x31 h GLU 302 Cb 1.59 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1x31 h GLU 302 CO 0.17 0.80 -0.02 0.93 -1.00 0.00 0.00 179.01 179.88 1x31 h GLU 303 N 0.97 1.02 0.00 2.33 5.08 -1.39 -2.31 114.58 120.28 1x31 h GLU 303 Ca 0.23 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1x31 h GLU 303 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1x31 h GLU 303 CO -0.02 1.01 -0.36 -0.56 -1.00 0.00 0.00 179.01 178.08 1x31 h GLN 304 N 0.93 0.00 -0.38 2.33 3.07 -1.35 -2.99 115.11 116.72 1x31 h GLN 304 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.82 1x31 h GLN 304 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.12 1x31 h GLN 304 CO 0.03 0.36 -0.10 0.52 0.09 0.00 0.00 178.83 179.73 1x31 h MET 305 N 0.00 0.74 -0.32 0.06 2.86 -0.79 0.13 114.93 117.61 1x31 h MET 305 Ca -0.00 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1x31 h MET 305 Cb 0.99 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1x31 h MET 305 CO 0.05 0.89 0.20 0.00 1.06 0.00 0.00 176.91 179.11 1x31 h ALA 306 N 0.83 0.40 -0.35 6.32 0.00 -1.38 -0.97 119.26 124.12 1x31 h ALA 306 Ca 0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1x31 h ALA 306 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1x31 h ALA 306 CO 0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 179.25 178.89 1x31 h ALA 307 N 1.13 0.89 -0.39 0.00 0.00 -1.42 -2.50 119.26 116.98 1x31 h ALA 307 Ca 0.12 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1x31 h ALA 307 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1x31 h ALA 307 CO -0.04 0.62 -0.26 0.00 0.00 0.00 0.00 179.25 179.58 1x31 h ALA 308 N 1.10 0.82 -0.07 0.00 0.00 -0.40 -1.52 119.26 119.20 1x31 h ALA 308 Ca 0.08 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1x31 h ALA 308 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1x31 h ALA 308 CO 0.06 0.64 -0.71 0.28 0.00 0.00 0.00 179.25 179.52 1x31 h VAL 309 N 0.69 1.40 -0.22 0.00 2.07 -1.14 0.19 116.25 119.24 1x31 h VAL 309 Ca 0.09 -2.15 -0.04 0.00 0.82 0.00 0.00 66.70 65.42 1x31 h VAL 309 Cb 0.78 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1x31 h VAL 309 CO 0.06 0.64 -0.02 -0.33 0.02 0.00 0.00 177.57 177.94 1x31 h GLU 310 N 0.23 0.40 -0.06 1.57 4.39 -1.34 -2.65 114.58 117.12 1x31 h GLU 310 Ca -0.02 -0.14 -0.18 0.00 0.34 0.00 0.00 59.36 59.36 1x31 h GLU 310 Cb 1.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1x31 h GLU 310 CO 0.12 0.62 -0.73 1.25 -1.16 0.00 0.00 179.01 179.10 1x31 h LEU 311 N 0.15 0.39 -6.93 1.33 5.85 -1.27 -3.39 115.31 111.44 1x31 h LEU 311 Ca 0.06 -0.26 -0.61 0.00 0.84 0.00 0.00 57.88 57.90 1x31 h LEU 311 Cb 0.45 -0.12 -0.40 0.00 0.37 0.00 0.00 40.66 40.96 1x31 h LEU 311 CO 0.02 0.99 -0.71 -0.36 -0.34 0.00 0.00 178.44 178.04 1x31 s PHE 312 N -3.57 2.57 0.54 1.25 0.08 0.66 -0.72 117.98 118.79 1x31 s PHE 312 Ca -0.05 -2.86 0.28 0.00 0.12 0.00 0.00 56.93 54.42 1x31 s PHE 312 Cb 0.11 -2.11 1.43 0.00 -0.57 0.00 0.00 43.02 41.88 1x31 s PHE 312 CO 0.83 -0.69 1.96 -1.35 -0.10 0.00 0.00 175.22 175.87 1x31 h PRO 313 N 5.91 0.00 0.00 0.24 0.11 -1.67 -0.80 132.00 135.79 1x31 h PRO 313 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1x31 h PRO 313 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1x31 h PRO 313 CO 0.58 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.34 1x31 h ILE 314 N 0.00 0.00 -0.00 4.15 2.10 -1.85 -2.61 117.51 119.29 1x31 h ILE 314 Ca 0.30 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1x31 h ILE 314 Cb 1.24 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 1x31 h ILE 314 CO -0.00 0.00 -0.04 0.49 -1.08 0.00 0.00 178.15 177.52 1x31 n PHE 315 N -2.81 0.00 -0.34 2.19 3.72 -0.31 -4.26 117.46 115.65 1x31 n PHE 315 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.45 1x31 n PHE 315 Cb 0.23 -0.32 0.12 0.00 -0.94 0.00 0.00 39.48 38.57 1x31 n PHE 315 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x31 h ALA 316 N 3.34 0.57 -0.64 4.37 0.00 -1.61 -0.09 119.26 125.19 1x31 h ALA 316 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 54.91 54.94 1x31 h ALA 316 Cb 0.36 0.75 -0.20 0.00 0.00 0.00 0.00 17.79 18.70 1x31 h ALA 316 CO 0.00 -0.41 0.25 0.54 0.00 0.00 0.00 179.25 179.62 1x31 n ARG 317 N -5.59 2.04 -2.33 0.00 1.74 -1.26 -4.91 116.66 106.36 1x31 n ARG 317 Ca 0.14 -3.11 -0.31 0.00 -0.77 0.00 0.00 57.85 53.80 1x31 n ARG 317 Cb 0.47 -1.98 -0.02 0.00 -1.02 0.00 0.00 32.46 29.91 1x31 n ARG 317 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x31 s ALA 318 N -3.27 3.17 0.02 7.54 0.00 -0.05 -5.06 121.76 124.11 1x31 s ALA 318 Ca 0.50 -0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.50 1x31 s ALA 318 Cb 0.44 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1x31 s ALA 318 CO 0.05 -0.36 -0.25 -1.01 0.00 0.00 0.00 175.76 174.19 1x31 s HIS 319 N -2.77 2.22 -0.00 0.00 0.09 -1.26 -5.06 115.29 108.50 1x31 s HIS 319 Ca 0.55 -0.41 -0.30 0.00 -0.00 0.00 0.00 55.06 54.90 1x31 s HIS 319 Cb -0.10 -1.36 -0.05 0.00 -0.00 0.00 0.00 32.58 31.07 1x31 s HIS 319 CO 0.40 0.06 1.24 0.08 -0.00 0.00 0.00 174.74 176.52 1x31 s VAL 320 N -0.73 4.07 -0.23 -0.90 1.01 -1.26 -3.13 120.40 119.23 1x31 s VAL 320 Ca 0.10 1.44 0.04 0.00 0.00 0.00 0.00 61.98 63.57 1x31 s VAL 320 Cb -0.10 -3.93 -0.17 0.00 0.00 0.00 0.00 36.38 32.19 1x31 s VAL 320 CO 0.01 0.04 -0.17 -0.11 0.00 0.00 0.00 175.10 174.86 1x31 n LEU 321 N 4.79 2.57 -3.64 3.92 7.94 0.61 -4.91 117.00 128.28 1x31 n LEU 321 Ca 0.11 -0.11 -0.14 0.00 -1.11 0.00 0.00 56.01 54.75 1x31 n LEU 321 Cb 0.46 -0.66 -0.07 0.00 0.53 0.00 0.00 43.42 43.68 1x31 n LEU 321 CO 0.56 0.84 0.37 -0.60 -1.11 0.00 0.00 177.39 177.45 1x31 s ARG 322 N -2.47 0.80 0.19 1.96 3.52 -1.15 -5.02 118.95 116.78 1x31 s ARG 322 Ca -0.29 0.89 0.10 0.00 -0.13 0.00 0.00 55.73 56.30 1x31 s ARG 322 Cb 0.08 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.82 1x31 s ARG 322 CO 0.58 -0.11 -0.21 0.95 -0.81 0.00 0.00 175.30 175.70 1x31 s THR 323 N 0.25 2.13 0.26 4.11 -4.23 -1.26 -1.51 115.64 115.39 1x31 s THR 323 Ca -0.01 -2.03 -0.10 0.00 -1.18 0.00 0.00 61.69 58.37 1x31 s THR 323 Cb -0.04 -2.03 0.04 0.00 1.34 0.00 0.00 72.50 71.81 1x31 s THR 323 CO 0.02 -0.25 0.52 -2.67 -0.54 0.00 0.00 174.62 171.70 1x31 n TRP 324 N 0.15 -1.89 -4.00 3.99 2.14 -0.57 -4.99 117.44 112.28 1x31 n TRP 324 Ca -0.12 -1.25 -0.10 0.00 2.07 0.00 0.00 57.50 58.11 1x31 n TRP 324 Cb 0.57 0.61 -0.04 0.00 -0.81 0.00 0.00 31.31 31.64 1x31 n TRP 324 CO 0.00 0.00 0.00 0.20 2.07 0.00 0.00 177.69 179.96 1x31 s GLY 325 N -2.38 0.66 0.00 -1.67 0.00 -1.11 -1.81 107.32 101.01 1x31 s GLY 325 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1x31 s GLY 325 CO 0.08 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.14 1x31 n GLY 326 N -0.42 4.27 2.86 0.20 0.00 -0.40 -4.70 105.19 107.00 1x31 n GLY 326 Ca -0.02 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 1x31 n GLY 326 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x31 s ILE 327 N -1.73 1.41 -0.18 -0.61 1.01 -1.26 -3.04 121.20 116.79 1x31 s ILE 327 Ca 0.00 -1.59 -0.11 0.00 0.00 0.00 0.00 60.65 58.95 1x31 s ILE 327 Cb 0.00 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1x31 s ILE 327 CO 0.00 -0.50 0.18 0.68 0.00 0.00 0.00 174.94 175.31 1x31 s VAL 328 N 1.37 5.38 -0.47 2.92 -7.23 -0.05 -3.67 120.40 118.66 1x31 s VAL 328 Ca 0.06 0.31 -0.19 0.00 -1.81 0.00 0.00 61.98 60.35 1x31 s VAL 328 Cb -0.18 -3.52 0.05 0.00 0.56 0.00 0.00 36.38 33.28 1x31 s VAL 328 CO -0.15 0.43 0.56 1.51 -0.31 0.00 0.00 175.10 177.14 1x31 s ASP 329 N 0.31 6.22 0.12 4.85 -4.77 -1.26 -0.81 116.67 121.34 1x31 s ASP 329 Ca 0.11 -0.80 0.05 0.00 -3.30 0.00 0.00 52.55 48.61 1x31 s ASP 329 Cb -0.12 -2.27 -0.04 0.00 -1.09 0.00 0.00 42.92 39.40 1x31 s ASP 329 CO 0.00 -0.78 0.06 0.42 0.70 0.00 0.00 175.17 175.57 1x31 s THR 330 N 2.45 4.23 0.36 2.11 -4.23 -0.25 -0.98 115.64 119.32 1x31 s THR 330 Ca 0.14 -1.03 0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1x31 s THR 330 Cb -0.18 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 1x31 s THR 330 CO 0.13 0.02 0.26 0.42 -0.54 0.00 0.00 174.62 174.91 1x31 s THR 331 N -1.52 3.15 0.52 3.99 -4.23 -1.26 -1.89 115.64 114.40 1x31 s THR 331 Ca 0.28 -1.48 0.19 0.00 -1.18 0.00 0.00 61.69 59.50 1x31 s THR 331 Cb -0.11 -3.08 0.27 0.00 1.34 0.00 0.00 72.50 70.93 1x31 s THR 331 CO 0.21 -0.14 2.14 0.24 -0.54 0.00 0.00 174.62 176.53 1x31 h MET 332 N 1.31 0.00 -0.34 3.99 2.86 -1.91 -2.64 114.93 118.19 1x31 h MET 332 Ca -0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1x31 h MET 332 Cb 1.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1x31 h MET 332 CO 0.60 0.04 0.00 -0.40 1.06 0.00 0.00 176.91 178.21 1x31 n ASP 333 N -4.30 2.91 -1.77 1.22 5.75 -1.26 -4.97 116.55 114.13 1x31 n ASP 333 Ca -0.03 -1.95 -0.18 0.00 -0.01 0.00 0.00 54.79 52.63 1x31 n ASP 333 Cb 0.12 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1x31 n ASP 333 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x31 n ALA 334 N 0.63 -0.43 -2.42 2.12 0.00 -1.00 -1.26 120.51 118.15 1x31 n ALA 334 Ca 0.12 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 1x31 n ALA 334 Cb 0.43 -1.89 -0.13 0.00 0.00 0.00 0.00 19.45 17.86 1x31 n ALA 334 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x31 s SER 335 N -2.42 3.52 1.09 0.00 0.01 -1.26 -4.56 113.70 110.07 1x31 s SER 335 Ca 0.00 -0.60 -0.15 0.00 1.31 0.00 0.00 55.95 56.51 1x31 s SER 335 Cb 0.00 -0.39 0.23 0.00 0.21 0.00 0.00 66.02 66.07 1x31 s SER 335 CO 0.00 0.21 1.10 -2.16 0.41 0.00 0.00 173.24 172.81 1x31 s PRO 336 N -1.76 -0.28 -0.22 12.44 0.04 -1.19 -4.63 135.00 139.39 1x31 s PRO 336 Ca 0.15 0.25 -0.00 0.00 0.04 0.00 0.00 61.00 61.43 1x31 s PRO 336 Cb -0.10 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.82 1x31 s PRO 336 CO 0.06 -3.15 -0.04 0.42 0.04 0.00 0.00 177.00 174.33 1x31 s ILE 337 N -3.00 1.30 -0.41 0.56 1.01 0.21 -4.80 121.20 116.07 1x31 s ILE 337 Ca 0.68 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1x31 s ILE 337 Cb -0.15 -1.61 0.13 0.00 0.01 0.00 0.00 42.46 40.84 1x31 s ILE 337 CO 0.57 -0.11 0.22 -0.63 0.00 0.00 0.00 174.94 174.99 1x31 s ILE 338 N 1.50 1.12 0.15 2.92 1.01 -0.58 -0.61 121.20 126.71 1x31 s ILE 338 Ca -0.04 -2.32 -0.05 0.00 0.00 0.00 0.00 60.65 58.24 1x31 s ILE 338 Cb -0.18 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1x31 s ILE 338 CO -0.07 -0.90 0.28 -1.54 0.00 0.00 0.00 174.94 172.72 1x31 n SER 339 N 3.72 -0.83 -4.87 3.58 3.41 -0.64 -4.51 113.62 113.48 1x31 n SER 339 Ca 0.09 -1.60 -0.31 0.00 -0.26 0.00 0.00 58.87 56.79 1x31 n SER 339 Cb 0.35 1.39 0.03 0.00 -0.26 0.00 0.00 64.21 65.72 1x31 n SER 339 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x31 s LYS 340 N -2.06 3.16 0.37 4.33 1.02 -1.26 -1.41 119.74 123.90 1x31 s LYS 340 Ca 0.06 0.62 0.06 0.00 0.02 0.00 0.00 55.97 56.74 1x31 s LYS 340 Cb -0.02 -2.04 -0.07 0.00 -0.52 0.00 0.00 37.83 35.18 1x31 s LYS 340 CO 0.05 -0.85 0.02 0.95 -0.92 0.00 0.00 175.35 174.59 1x31 s THR 341 N -3.26 1.71 -0.72 2.17 -4.23 -1.06 -4.67 115.64 105.58 1x31 s THR 341 Ca 0.57 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 59.13 1x31 s THR 341 Cb -0.11 -2.89 0.06 0.00 1.34 0.00 0.00 72.50 70.90 1x31 s THR 341 CO 0.53 -0.02 1.17 -2.65 -0.54 0.00 0.00 174.62 173.11 1x31 n PRO 342 N -0.85 0.04 -3.59 3.99 -0.02 -1.26 -4.41 135.00 128.91 1x31 n PRO 342 Ca -0.04 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 1x31 n PRO 342 Cb 0.67 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 32.41 1x31 n PRO 342 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1x31 s ILE 343 N -3.12 5.33 0.31 4.25 -1.09 -1.26 -5.00 121.20 120.61 1x31 s ILE 343 Ca -0.01 0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 58.54 1x31 s ILE 343 Cb 0.02 -3.58 -0.10 0.00 -1.58 0.00 0.00 42.46 37.21 1x31 s ILE 343 CO 0.06 0.38 1.38 -1.58 -1.23 0.00 0.00 174.94 173.94 1x31 s GLN 344 N 0.64 4.29 -0.35 2.79 2.00 -0.01 -2.62 119.66 126.40 1x31 s GLN 344 Ca 0.13 2.29 0.00 0.00 -2.00 0.00 0.00 55.36 55.79 1x31 s GLN 344 Cb -0.13 -3.07 0.00 0.00 0.80 0.00 0.00 33.01 30.61 1x31 s GLN 344 CO 0.03 -0.32 0.00 0.09 -0.50 0.00 0.00 175.29 174.59 1x31 n ASN 345 N 1.34 -4.60 -4.21 6.67 4.13 -1.26 -2.32 115.26 115.02 1x31 n ASN 345 Ca 0.03 0.08 -0.34 0.00 1.68 0.00 0.00 54.58 56.03 1x31 n ASN 345 Cb 0.41 -2.39 -0.15 0.00 -1.54 0.00 0.00 39.78 36.11 1x31 n ASN 345 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1x31 s LEU 346 N -0.75 2.67 0.18 3.41 2.96 -1.08 -1.75 118.68 124.33 1x31 s LEU 346 Ca 0.00 -0.61 0.09 0.00 -0.22 0.00 0.00 54.13 53.38 1x31 s LEU 346 Cb 0.00 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1x31 s LEU 346 CO 0.00 -0.04 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.60 1x31 s TYR 347 N 1.37 2.67 -0.01 5.38 2.02 -0.39 -2.56 117.35 125.83 1x31 s TYR 347 Ca 0.04 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 1x31 s TYR 347 Cb -0.14 -1.30 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 1x31 s TYR 347 CO -0.07 0.52 -0.02 0.54 -1.57 0.00 0.00 175.55 174.94 1x31 s VAL 348 N -1.72 0.21 -0.15 0.71 0.11 -0.50 -0.83 120.40 118.23 1x31 s VAL 348 Ca 0.25 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.21 1x31 s VAL 348 Cb -0.09 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.60 1x31 s VAL 348 CO 0.16 0.07 -0.05 0.21 -3.33 0.00 0.00 175.10 172.16 1x31 s ASN 349 N 0.08 2.63 0.00 3.54 2.47 0.37 -1.62 114.94 122.41 1x31 s ASN 349 Ca -0.00 -0.56 -0.00 0.00 0.42 0.00 0.00 52.86 52.71 1x31 s ASN 349 Cb -0.03 -0.87 0.00 0.00 -1.45 0.00 0.00 41.25 38.91 1x31 s ASN 349 CO -0.00 -0.17 0.01 0.00 -3.72 0.00 0.00 177.10 173.21 1x31 n GLY 351 N -0.00 0.31 0.13 0.00 0.00 -1.24 0.66 105.19 105.05 1x31 n GLY 351 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1x31 n GLY 351 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1x31 h TRP 352 N 0.00 0.00 0.00 1.61 4.06 -1.84 -3.16 115.95 116.62 1x31 h TRP 352 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1x31 h TRP 352 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1x31 h TRP 352 CO 0.24 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.53 1x31 n GLY 353 N 0.27 2.83 0.28 1.49 0.00 -0.15 -1.56 105.19 108.34 1x31 n GLY 353 Ca 0.03 0.31 0.14 0.00 0.00 0.00 0.00 46.02 46.50 1x31 n GLY 353 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x31 n THR 354 N 0.00 0.00 -2.28 2.61 -2.24 -1.26 -4.33 114.28 106.78 1x31 n THR 354 Ca 0.00 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.58 1x31 n THR 354 Cb 0.00 0.21 0.07 0.00 -2.10 0.00 0.00 70.33 68.50 1x31 n THR 354 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x31 n GLY 355 N 1.22 3.72 0.15 3.38 0.00 -0.60 -4.84 105.19 108.21 1x31 n GLY 355 Ca 0.17 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.74 1x31 n GLY 355 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x31 h GLY 356 N 1.87 0.00 0.92 -0.02 0.00 -1.75 -3.35 103.07 100.73 1x31 h GLY 356 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 1x31 h GLY 356 CO 0.31 0.00 0.07 -2.75 0.00 0.00 0.00 176.54 174.18 1x31 h PHE 357 N 0.00 0.21 0.00 5.60 3.57 -1.91 -1.96 116.94 122.45 1x31 h PHE 357 Ca 0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1x31 h PHE 357 Cb 0.92 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 1x31 h PHE 357 CO 0.00 0.23 -0.09 1.57 -2.23 0.00 0.00 178.31 177.79 1x31 h LYS 358 N 0.12 0.00 -0.48 1.11 2.10 -1.73 -1.72 116.57 115.97 1x31 h LYS 358 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1x31 h LYS 358 Cb 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1x31 h LYS 358 CO -0.01 0.09 0.00 0.41 -2.00 0.00 0.00 179.45 177.95 1x31 n GLY 359 N -1.10 1.20 0.13 0.07 0.00 -0.79 -4.49 105.19 100.21 1x31 n GLY 359 Ca -0.03 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1x31 n GLY 359 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1x31 h THR 360 N 2.34 0.75 -0.15 2.61 2.02 -0.75 0.49 112.91 120.23 1x31 h THR 360 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1x31 h THR 360 Cb 0.71 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1x31 h THR 360 CO 0.06 0.00 0.06 -0.65 0.37 0.00 0.00 175.52 175.35 1x31 h PRO 361 N -0.05 0.23 -0.23 6.66 0.11 -1.83 -2.20 132.00 134.68 1x31 h PRO 361 Ca 0.09 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 1x31 h PRO 361 Cb 0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1x31 h PRO 361 CO -0.21 0.33 -0.17 0.78 -0.21 0.00 0.00 178.00 178.51 1x31 h GLY 362 N 0.08 0.44 0.76 -0.55 0.00 -1.79 -0.31 103.07 101.70 1x31 h GLY 362 Ca 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1x31 h GLY 362 CO -0.00 0.29 -0.01 0.00 0.00 0.00 0.00 176.54 176.82 1x31 h ALA 363 N 1.45 0.17 -0.45 3.60 0.00 0.07 -0.95 119.26 123.15 1x31 h ALA 363 Ca 0.07 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1x31 h ALA 363 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1x31 h ALA 363 CO 0.03 -0.12 -0.21 0.78 0.00 0.00 0.00 179.25 179.73 1x31 h GLY 364 N -0.05 0.97 0.93 0.00 0.00 -1.26 -0.51 103.07 103.15 1x31 h GLY 364 Ca 0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 1x31 h GLY 364 CO 0.01 0.77 -0.17 -1.82 0.00 0.00 0.00 176.54 175.32 1x31 h TYR 365 N 0.78 -0.45 -0.17 5.60 3.20 -1.01 -0.40 116.97 124.53 1x31 h TYR 365 Ca 0.11 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 1x31 h TYR 365 Cb 0.76 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1x31 h TYR 365 CO 0.05 -0.23 -0.42 1.79 -1.64 0.00 0.00 178.16 177.70 1x31 h THR 366 N -0.56 1.31 -0.17 1.81 1.35 -1.18 -2.36 112.91 113.11 1x31 h THR 366 Ca -0.05 -1.58 -0.19 0.00 -0.55 0.00 0.00 66.41 64.04 1x31 h THR 366 Cb 0.42 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1x31 h THR 366 CO 0.08 0.48 -0.65 0.25 -0.25 0.00 0.00 175.52 175.43 1x31 h LEU 367 N 0.32 0.73 -0.70 3.87 5.85 -1.06 -0.30 115.31 124.03 1x31 h LEU 367 Ca 0.03 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 1x31 h LEU 367 Cb 0.88 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1x31 h LEU 367 CO 0.07 1.20 0.21 0.00 -0.34 0.00 0.00 178.44 179.58 1x31 h ALA 368 N 0.80 0.92 -0.45 1.25 0.00 -1.00 -0.13 119.26 120.65 1x31 h ALA 368 Ca -0.02 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1x31 h ALA 368 Cb 1.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1x31 h ALA 368 CO 0.13 0.60 -0.04 1.25 0.00 0.00 0.00 179.25 181.19 1x31 h HIS 369 N 1.03 0.90 -0.38 0.00 -0.00 -1.33 -1.45 115.15 113.92 1x31 h HIS 369 Ca 0.23 -0.17 -0.05 0.00 -0.00 0.00 0.00 60.37 60.37 1x31 h HIS 369 Cb 0.31 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 1x31 h HIS 369 CO 0.02 0.89 0.02 1.15 -0.00 0.00 0.00 177.93 180.01 1x31 h THR 370 N 0.65 1.21 -0.09 6.26 2.02 -0.69 -0.85 112.91 121.42 1x31 h THR 370 Ca 0.12 -0.82 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 1x31 h THR 370 Cb 0.56 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1x31 h THR 370 CO 0.03 0.28 -0.19 0.40 0.37 0.00 0.00 175.52 176.42 1x31 h ILE 371 N 0.57 1.40 -0.38 3.11 2.04 -0.81 -0.71 117.51 122.73 1x31 h ILE 371 Ca 0.12 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.45 1x31 h ILE 371 Cb 0.34 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1x31 h ILE 371 CO 0.01 0.43 0.11 0.00 0.00 0.00 0.00 178.15 178.69 1x31 h ALA 372 N 0.50 0.50 0.00 1.87 0.00 -1.10 -3.17 119.26 117.86 1x31 h ALA 372 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1x31 h ALA 372 Cb 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x31 h ALA 372 CO 0.04 0.16 -0.51 0.72 0.00 0.00 0.00 179.25 179.66 1x31 n HIS 373 N -4.60 0.33 -2.12 0.00 8.25 -0.34 -4.92 115.22 111.82 1x31 n HIS 373 Ca -0.01 0.10 -0.20 0.00 -0.26 0.00 0.00 57.72 57.35 1x31 n HIS 373 Cb 0.19 -0.51 -0.04 0.00 1.12 0.00 0.00 29.99 30.75 1x31 n HIS 373 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1x31 n ASP 374 N -1.85 -5.69 -3.71 0.41 4.64 -0.29 -4.94 116.55 105.12 1x31 n ASP 374 Ca 0.04 0.15 -0.14 0.00 -1.38 0.00 0.00 54.79 53.47 1x31 n ASP 374 Cb 0.39 -4.80 -0.09 0.00 -1.04 0.00 0.00 41.12 35.59 1x31 n ASP 374 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1x31 s GLU 375 N -4.59 0.60 0.51 -0.67 2.12 -1.10 -5.04 118.70 110.53 1x31 s GLU 375 Ca 0.00 0.52 -0.21 0.00 0.36 0.00 0.00 54.97 55.64 1x31 s GLU 375 Cb 0.00 0.29 -0.06 0.00 0.26 0.00 0.00 34.13 34.62 1x31 s GLU 375 CO 0.00 -0.10 1.18 -1.25 -0.54 0.00 0.00 175.26 174.56 1x31 s PRO 376 N -0.04 3.45 0.89 4.30 0.04 -1.26 -3.94 135.00 138.43 1x31 s PRO 376 Ca -0.02 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1x31 s PRO 376 Cb -0.03 -2.20 0.13 0.00 0.04 0.00 0.00 34.50 32.43 1x31 s PRO 376 CO 0.02 -0.81 1.09 -1.58 0.04 0.00 0.00 177.00 175.76 1x31 s HIS 377 N -1.58 2.20 0.44 0.56 2.46 -1.26 -4.71 115.29 113.38 1x31 s HIS 377 Ca 0.69 1.39 0.12 0.00 0.47 0.00 0.00 55.06 57.72 1x31 s HIS 377 Cb -0.29 -3.15 1.00 0.00 -0.13 0.00 0.00 32.58 30.01 1x31 s HIS 377 CO 0.34 -2.45 2.04 -0.22 -2.47 0.00 0.00 174.74 171.98 1x31 h LYS 378 N -1.59 0.39 -0.10 2.88 1.63 -1.98 -1.04 116.57 116.76 1x31 h LYS 378 Ca -0.48 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.13 1x31 h LYS 378 Cb 1.27 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 1x31 h LYS 378 CO 0.52 0.26 -0.65 -0.07 -3.45 0.00 0.00 179.45 176.06 1x31 h LEU 379 N 0.41 0.43 -1.23 5.20 3.38 -1.97 -3.28 115.31 118.25 1x31 h LEU 379 Ca 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1x31 h LEU 379 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x31 h LEU 379 CO -0.04 0.97 -0.30 -0.46 0.09 0.00 0.00 178.44 178.69 1x31 n ASN 380 N -3.87 2.18 -0.34 -0.43 6.94 -1.04 -4.44 115.26 114.26 1x31 n ASN 380 Ca -0.03 -1.59 0.05 0.00 -0.02 0.00 0.00 54.58 52.99 1x31 n ASN 380 Cb 0.66 0.33 0.20 0.00 -2.36 0.00 0.00 39.78 38.61 1x31 n ASN 380 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1x31 h ALA 381 N 3.76 1.37 0.00 -2.53 0.00 -1.26 0.11 119.26 120.71 1x31 h ALA 381 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x31 h ALA 381 Cb 0.76 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1x31 h ALA 381 CO 0.00 0.21 0.00 -2.30 0.00 0.00 0.00 179.25 177.16 1x31 n PRO 382 N -4.65 0.08 -1.34 0.00 -0.02 -1.26 -3.19 135.00 124.62 1x31 n PRO 382 Ca 0.16 0.35 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 1x31 n PRO 382 Cb 0.30 -1.66 0.10 0.00 -0.02 0.00 0.00 33.50 32.22 1x31 n PRO 382 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1x31 n PHE 383 N -1.81 3.01 -2.54 6.00 3.72 0.37 -4.89 117.46 121.33 1x31 n PHE 383 Ca 0.03 -2.59 -0.28 0.00 -0.05 0.00 0.00 57.45 54.55 1x31 n PHE 383 Cb 0.18 -1.16 -0.00 0.00 -0.94 0.00 0.00 39.48 37.55 1x31 n PHE 383 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x31 s ALA 384 N -3.65 3.34 0.37 4.37 0.00 -1.19 -1.52 121.76 123.48 1x31 s ALA 384 Ca 0.60 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.22 1x31 s ALA 384 Cb 0.49 -2.69 0.74 0.00 0.00 0.00 0.00 23.12 21.66 1x31 s ALA 384 CO 0.02 -0.36 2.01 -0.07 0.00 0.00 0.00 175.76 177.36 1x31 h LEU 385 N 0.28 0.63 -2.34 0.00 3.38 -1.91 -2.64 115.31 112.70 1x31 h LEU 385 Ca -0.46 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1x31 h LEU 385 Cb 1.20 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1x31 h LEU 385 CO 0.62 0.44 0.12 -0.33 0.09 0.00 0.00 178.44 179.38 1x31 h GLU 386 N 0.73 0.00 -0.17 1.13 3.07 -1.93 -2.93 114.58 114.48 1x31 h GLU 386 Ca 0.24 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.15 1x31 h GLU 386 Cb 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1x31 h GLU 386 CO -0.06 0.00 0.20 0.07 -1.40 0.00 0.00 179.01 177.81 1x31 h ARG 387 N 0.00 0.00 0.00 2.33 0.11 -1.78 0.11 114.38 115.15 1x31 h ARG 387 Ca 0.05 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 1x31 h ARG 387 Cb 0.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.37 1x31 h ARG 387 CO -0.00 0.00 -0.10 0.74 0.10 0.00 0.00 179.97 180.71 1x31 h PHE 388 N 0.00 0.00 0.10 4.08 0.04 -1.75 -1.03 116.94 118.38 1x31 h PHE 388 Ca 0.08 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.57 1x31 h PHE 388 Cb 0.47 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1x31 h PHE 388 CO 0.00 0.10 -1.47 1.49 -0.60 0.00 0.00 178.31 177.83 1x31 h GLU 389 N 0.00 0.22 0.00 1.51 4.81 -1.02 -3.35 114.58 116.75 1x31 h GLU 389 Ca -0.00 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 1x31 h GLU 389 Cb 0.95 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1x31 h GLU 389 CO 0.01 1.18 -0.44 1.79 -0.73 0.00 0.00 179.01 180.82 1x31 h THR 390 N -0.33 1.02 0.00 0.32 1.35 -1.39 -3.47 112.91 110.41 1x31 h THR 390 Ca -0.33 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 1x31 h THR 390 Cb 1.74 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 70.15 1x31 h THR 390 CO 0.03 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 1x31 n GLY 391 N 0.26 0.64 3.29 5.82 0.00 -0.45 -5.01 105.19 109.75 1x31 n GLY 391 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1x31 n GLY 391 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x31 n HIS 392 N -2.03 4.36 -2.66 1.61 -0.00 -0.82 -4.98 115.22 110.71 1x31 n HIS 392 Ca 0.00 -3.14 -0.30 0.00 -0.00 0.00 0.00 57.72 54.27 1x31 n HIS 392 Cb 0.00 -2.19 -0.02 0.00 -0.00 0.00 0.00 29.99 27.78 1x31 n HIS 392 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1x31 s LEU 393 N 1.43 3.71 -0.62 0.27 1.02 -1.26 -4.77 118.68 118.46 1x31 s LEU 393 Ca 0.43 1.19 0.04 0.00 0.02 0.00 0.00 54.13 55.81 1x31 s LEU 393 Cb 0.02 -4.11 0.15 0.00 0.02 0.00 0.00 46.19 42.27 1x31 s LEU 393 CO 0.01 -0.50 0.39 -0.63 0.02 0.00 0.00 176.35 175.64 1x31 s ILE 394 N -2.55 2.89 -0.49 -0.59 1.01 -1.26 -5.07 121.20 115.14 1x31 s ILE 394 Ca 0.52 -3.70 -0.28 0.00 0.00 0.00 0.00 60.65 57.19 1x31 s ILE 394 Cb -0.10 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.44 1x31 s ILE 394 CO 0.36 -0.90 1.46 -0.62 0.00 0.00 0.00 174.94 175.23 1x31 s ASP 395 N -0.67 6.16 -0.34 3.58 2.15 -1.25 -4.24 116.67 122.06 1x31 s ASP 395 Ca 0.21 0.57 0.07 0.00 0.43 0.00 0.00 52.55 53.83 1x31 s ASP 395 Cb -0.16 -2.54 0.51 0.00 -0.30 0.00 0.00 42.92 40.42 1x31 s ASP 395 CO -0.07 -1.63 1.51 -0.62 -0.17 0.00 0.00 175.17 174.19 1x31 n GLU 396 N 8.42 2.17 -0.19 4.34 -0.58 -0.39 -4.74 120.64 129.67 1x31 n GLU 396 Ca 0.15 -3.33 -0.05 0.00 -0.42 0.00 0.00 57.16 53.50 1x31 n GLU 396 Cb 0.49 -1.94 0.04 0.00 -0.57 0.00 0.00 31.44 29.46 1x31 n GLU 396 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1x31 h HIS 397 N 1.25 0.66 0.39 -0.32 3.86 -1.89 -0.77 115.15 118.34 1x31 h HIS 397 Ca 0.30 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.52 1x31 h HIS 397 Cb 1.63 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 1x31 h HIS 397 CO 1.09 0.39 -0.25 0.78 0.86 0.00 0.00 177.93 180.80 1x31 h GLY 398 N 0.71 -0.65 1.62 2.45 0.00 -1.98 -2.98 103.07 102.24 1x31 h GLY 398 Ca 0.22 0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.79 1x31 h GLY 398 CO -0.08 -0.25 0.01 0.00 0.00 0.00 0.00 176.54 176.22 1x31 h ALA 399 N -0.05 1.44 -2.37 3.60 0.00 -1.88 -3.44 119.26 116.55 1x31 h ALA 399 Ca -0.04 -0.18 -0.45 0.00 0.00 0.00 0.00 54.91 54.24 1x31 h ALA 399 Cb 0.52 -0.14 0.14 0.00 0.00 0.00 0.00 17.79 18.31 1x31 h ALA 399 CO 0.03 0.40 0.28 0.00 0.00 0.00 0.00 179.25 179.96 1x31 s ALA 400 N -4.99 1.56 -0.77 0.00 0.00 -0.30 -4.99 121.76 112.26 1x31 s ALA 400 Ca -0.07 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1x31 s ALA 400 Cb 0.16 -3.00 0.22 0.00 0.00 0.00 0.00 23.12 20.50 1x31 s ALA 400 CO 0.75 -2.54 0.75 0.00 0.00 0.00 0.00 175.76 174.72 1x31 n ALA 401 N -3.95 3.90 1.21 0.00 0.00 -1.26 -4.94 120.51 115.46 1x31 n ALA 401 Ca 0.08 -4.66 0.13 0.00 0.00 0.00 0.00 53.44 48.99 1x31 n ALA 401 Cb 0.59 -1.28 0.28 0.00 0.00 0.00 0.00 19.45 19.03 1x31 n ALA 401 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05