#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqi n GLY 8 N 0.00 -2.07 3.76 3.14 0.00 -1.26 -4.68 105.19 104.08 1sqi n GLY 8 Ca 0.00 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.27 1sqi n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sqi s PRO 9 N -1.25 3.45 -0.23 1.61 0.04 -1.26 -4.97 135.00 132.39 1sqi s PRO 9 Ca 0.00 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 1sqi s PRO 9 Cb 0.00 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1sqi s PRO 9 CO 0.00 -0.83 1.30 0.21 0.04 0.00 0.00 177.00 177.72 1sqi s LYS 10 N -2.91 4.06 -0.11 4.56 2.20 -1.26 -4.95 119.74 121.32 1sqi s LYS 10 Ca 0.69 1.48 -0.39 0.00 -0.36 0.00 0.00 55.97 57.39 1sqi s LYS 10 Cb -0.31 -3.83 -0.18 0.00 -1.51 0.00 0.00 37.83 31.99 1sqi s LYS 10 CO 0.36 -0.93 1.11 -2.30 -0.36 0.00 0.00 175.35 173.23 1sqi n PRO 11 N 7.00 0.00 -0.09 4.03 -0.02 -1.26 -4.84 135.00 139.81 1sqi n PRO 11 Ca 0.15 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 1sqi n PRO 11 Cb 0.46 -1.38 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 1sqi n PRO 11 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1sqi h GLU 12 N 3.23 0.48 -6.27 -0.52 4.81 -2.02 -3.45 114.58 110.83 1sqi h GLU 12 Ca -0.45 -0.16 -0.61 0.00 -0.13 0.00 0.00 59.36 58.01 1sqi h GLU 12 Cb 1.31 -0.04 -0.14 0.00 0.63 0.00 0.00 28.75 30.51 1sqi h GLU 12 CO 0.68 0.65 -0.75 1.03 -0.73 0.00 0.00 179.01 179.89 1sqi s ARG 13 N -4.96 1.79 0.18 1.92 1.81 -1.26 -5.08 118.95 113.35 1sqi s ARG 13 Ca -0.14 -1.65 0.00 0.00 -1.72 0.00 0.00 55.73 52.23 1sqi s ARG 13 Cb 0.08 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 1sqi s ARG 13 CO 0.75 0.35 0.00 0.41 -0.68 0.00 0.00 175.30 176.13 1sqi n GLY 14 N -0.52 -2.60 3.64 -3.53 0.00 -1.26 -4.86 105.19 96.06 1sqi n GLY 14 Ca -0.07 -1.34 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 1sqi n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqi s ARG 15 N -3.02 0.62 -0.50 1.61 3.52 -0.45 -4.94 118.95 115.80 1sqi s ARG 15 Ca 0.00 1.11 -0.21 0.00 -0.13 0.00 0.00 55.73 56.50 1sqi s ARG 15 Cb 0.00 0.20 0.04 0.00 -1.56 0.00 0.00 34.95 33.63 1sqi s ARG 15 CO 0.00 -0.14 0.73 -0.06 -0.81 0.00 0.00 175.30 175.03 1sqi s PHE 16 N 1.71 2.97 -0.02 5.12 0.40 -1.26 -0.09 117.98 126.81 1sqi s PHE 16 Ca -0.09 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 55.88 1sqi s PHE 16 Cb -0.05 -3.65 -0.08 0.00 0.51 0.00 0.00 43.02 39.74 1sqi s PHE 16 CO -0.19 -1.08 0.69 -0.07 0.70 0.00 0.00 175.22 175.27 1sqi h LEU 17 N 10.10 -0.46 -8.11 -0.37 3.38 -0.65 -3.46 115.31 115.74 1sqi h LEU 17 Ca -0.26 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1sqi h LEU 17 Cb 1.09 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 1sqi h LEU 17 CO 0.98 -0.10 0.13 -1.38 0.09 0.00 0.00 178.44 178.16 1sqi s HIS 18 N -3.37 0.18 0.05 1.13 -3.43 -1.19 -4.76 115.29 103.90 1sqi s HIS 18 Ca -0.08 -0.68 -0.30 0.00 -0.80 0.00 0.00 55.06 53.20 1sqi s HIS 18 Cb 0.01 0.56 -0.08 0.00 -1.43 0.00 0.00 32.58 31.64 1sqi s HIS 18 CO 0.24 -1.31 1.75 -0.06 -2.00 0.00 0.00 174.74 173.37 1sqi s PHE 19 N -3.23 2.05 -0.13 0.38 0.40 -1.26 -1.17 117.98 115.02 1sqi s PHE 19 Ca 0.17 0.07 -0.10 0.00 -0.60 0.00 0.00 56.93 56.47 1sqi s PHE 19 Cb -0.04 -4.06 -0.25 0.00 0.51 0.00 0.00 43.02 39.18 1sqi s PHE 19 CO 0.11 -4.42 0.37 1.25 0.70 0.00 0.00 175.22 173.23 1sqi h HIS 20 N 9.06 0.42 -1.66 0.36 -0.00 -1.36 -3.45 115.15 118.52 1sqi h HIS 20 Ca -0.44 -0.31 0.25 0.00 -0.00 0.00 0.00 60.37 59.87 1sqi h HIS 20 Cb 1.21 -0.02 -0.15 0.00 -0.00 0.00 0.00 27.41 28.45 1sqi h HIS 20 CO 0.84 1.73 0.74 -1.54 -0.00 0.00 0.00 177.93 179.69 1sqi s SER 21 N -7.04 -0.15 -0.14 3.26 1.04 -1.22 -4.41 113.70 105.05 1sqi s SER 21 Ca -0.23 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1sqi s SER 21 Cb 0.06 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.42 1sqi s SER 21 CO 0.75 -0.37 -0.13 -0.69 0.98 0.00 0.00 173.24 173.77 1sqi s VAL 22 N -2.60 1.48 -0.25 5.02 1.01 0.13 -0.72 120.40 124.46 1sqi s VAL 22 Ca 0.11 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1sqi s VAL 22 Cb 0.01 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1sqi s VAL 22 CO -0.04 0.44 0.21 -0.89 0.00 0.00 0.00 175.10 174.82 1sqi s THR 23 N 1.42 5.31 -0.19 3.92 2.01 0.01 -0.31 115.64 127.82 1sqi s THR 23 Ca 0.03 0.28 -0.09 0.00 0.31 0.00 0.00 61.69 62.22 1sqi s THR 23 Cb -0.13 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1sqi s THR 23 CO -0.09 0.30 0.10 -0.36 -0.69 0.00 0.00 174.62 173.88 1sqi s PHE 24 N 1.31 3.34 -0.39 4.92 0.40 0.12 0.59 117.98 128.28 1sqi s PHE 24 Ca 0.10 0.22 -0.14 0.00 -0.60 0.00 0.00 56.93 56.50 1sqi s PHE 24 Cb -0.14 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.27 1sqi s PHE 24 CO 0.07 0.23 0.29 -1.58 0.70 0.00 0.00 175.22 174.93 1sqi s TRP 25 N 0.35 3.23 0.28 0.36 0.52 -0.43 -0.68 118.94 122.57 1sqi s TRP 25 Ca 0.06 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.78 1sqi s TRP 25 Cb -0.12 -2.57 -0.06 0.00 -1.15 0.00 0.00 33.47 29.57 1sqi s TRP 25 CO -0.01 -0.52 0.01 0.14 0.02 0.00 0.00 176.95 176.60 1sqi s VAL 26 N 1.73 1.23 0.13 4.03 -7.23 -0.50 -2.72 120.40 117.08 1sqi s VAL 26 Ca 0.06 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.07 1sqi s VAL 26 Cb -0.18 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1sqi s VAL 26 CO 0.10 -0.17 1.51 1.23 -0.31 0.00 0.00 175.10 177.46 1sqi h GLY 27 N 2.27 0.94 -6.58 2.32 0.00 -1.92 -3.40 103.07 96.71 1sqi h GLY 27 Ca -0.40 -0.86 -0.55 0.00 0.00 0.00 0.00 47.33 45.52 1sqi h GLY 27 CO 0.67 0.78 -0.83 0.21 0.00 0.00 0.00 176.54 177.37 1sqi s ASN 28 N -6.60 2.83 0.16 0.19 3.04 -1.26 -4.92 114.94 108.38 1sqi s ASN 28 Ca -0.12 -2.04 -0.16 0.00 0.04 0.00 0.00 52.86 50.58 1sqi s ASN 28 Cb 0.11 -0.29 0.04 0.00 -1.54 0.00 0.00 41.25 39.57 1sqi s ASN 28 CO 0.85 -0.32 1.79 0.00 -3.04 0.00 0.00 177.10 176.38 1sqi h ALA 29 N 7.15 0.48 -0.37 1.71 0.00 -1.82 0.53 119.26 126.94 1sqi h ALA 29 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1sqi h ALA 29 Cb 0.98 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 1sqi h ALA 29 CO 0.27 -0.14 -0.28 -0.22 0.00 0.00 0.00 179.25 178.88 1sqi h LYS 30 N 0.43 -0.22 -0.17 0.00 3.64 -1.95 0.18 116.57 118.47 1sqi h LYS 30 Ca 0.16 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 1sqi h LYS 30 Cb 0.03 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1sqi h LYS 30 CO -0.09 -0.15 -0.46 1.96 -2.27 0.00 0.00 179.45 178.44 1sqi h GLN 31 N -0.23 0.43 -0.53 1.90 4.20 -1.87 -0.59 115.11 118.42 1sqi h GLN 31 Ca 0.17 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1sqi h GLN 31 Cb 0.51 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 1sqi h GLN 31 CO -0.50 0.81 0.24 0.00 -0.67 0.00 0.00 178.83 178.70 1sqi h ALA 32 N 1.16 0.68 -0.57 3.87 0.00 -0.48 -0.89 119.26 123.03 1sqi h ALA 32 Ca 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1sqi h ALA 32 Cb 0.95 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1sqi h ALA 32 CO 0.08 0.26 0.29 0.00 0.00 0.00 0.00 179.25 179.89 1sqi h ALA 33 N 1.08 0.73 -0.62 0.00 0.00 -0.47 -1.30 119.26 118.69 1sqi h ALA 33 Ca 0.18 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1sqi h ALA 33 Cb 0.15 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1sqi h ALA 33 CO -0.02 0.27 0.31 1.03 0.00 0.00 0.00 179.25 180.85 1sqi h SER 34 N 0.76 0.43 -0.18 0.00 0.87 -0.94 -2.08 113.55 112.42 1sqi h SER 34 Ca 0.20 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 1sqi h SER 34 Cb 0.09 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1sqi h SER 34 CO -0.03 0.28 0.08 0.15 -0.53 0.00 0.00 176.83 176.78 1sqi h PHE 35 N 0.58 0.27 -0.05 2.24 3.57 -0.75 -0.98 116.94 121.82 1sqi h PHE 35 Ca 0.28 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 1sqi h PHE 35 Cb 0.22 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1sqi h PHE 35 CO -0.10 0.32 -0.58 1.88 -2.23 0.00 0.00 178.31 177.59 1sqi h TYR 36 N 0.14 0.18 0.27 0.41 -1.99 -1.16 -0.48 116.97 114.34 1sqi h TYR 36 Ca 0.06 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1sqi h TYR 36 Cb 0.16 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.86 1sqi h TYR 36 CO -0.02 0.69 -0.13 0.00 -0.00 0.00 0.00 178.16 178.70 1sqi h ASN 38 N -0.78 0.26 0.75 0.00 2.35 -1.17 -2.59 115.58 114.39 1sqi h ASN 38 Ca -0.04 -0.35 -0.11 0.00 -0.55 0.00 0.00 56.30 55.26 1sqi h ASN 38 Cb 0.51 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1sqi h ASN 38 CO 0.06 0.54 -1.32 0.29 -1.65 0.00 0.00 177.43 175.35 1sqi n LYS 39 N -4.73 0.62 0.00 0.81 4.76 -0.19 -4.39 118.16 115.03 1sqi n LYS 39 Ca -0.06 0.16 0.01 0.00 -2.87 0.00 0.00 58.31 55.55 1sqi n LYS 39 Cb 0.24 -1.80 -0.00 0.00 -1.84 0.00 0.00 35.03 31.63 1sqi n LYS 39 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1sqi n MET 40 N -2.78 3.64 -0.04 1.97 2.81 -0.76 -4.46 117.12 117.49 1sqi n MET 40 Ca -0.07 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.59 1sqi n MET 40 Cb 0.73 -0.74 0.00 0.00 -0.71 0.00 0.00 33.22 32.50 1sqi n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sqi n GLY 41 N 0.64 0.79 3.80 3.03 0.00 -0.98 -4.87 105.19 107.60 1sqi n GLY 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1sqi n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqi s PHE 42 N -2.03 2.93 0.05 1.61 0.40 -1.08 -4.75 117.98 115.10 1sqi s PHE 42 Ca 0.00 1.47 0.05 0.00 -0.60 0.00 0.00 56.93 57.85 1sqi s PHE 42 Cb 0.00 -2.95 -0.02 0.00 0.51 0.00 0.00 43.02 40.56 1sqi s PHE 42 CO 0.00 -1.41 -0.15 -1.21 0.70 0.00 0.00 175.22 173.15 1sqi s GLU 43 N -4.92 0.99 0.22 0.44 0.41 -0.74 -4.26 118.70 110.84 1sqi s GLU 43 Ca 0.60 -0.82 -0.32 0.00 -0.41 0.00 0.00 54.97 54.02 1sqi s GLU 43 Cb -0.15 -1.03 -0.12 0.00 -1.78 0.00 0.00 34.13 31.05 1sqi s GLU 43 CO 0.54 0.25 1.66 -2.30 -0.49 0.00 0.00 175.26 174.92 1sqi n PRO 44 N 1.80 2.63 -0.04 0.39 -0.02 -1.26 -0.83 135.00 137.66 1sqi n PRO 44 Ca -0.18 0.94 -0.07 0.00 -2.02 0.00 0.00 63.50 62.17 1sqi n PRO 44 Cb 0.54 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 1sqi n PRO 44 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sqi n LEU 45 N 3.43 1.88 -3.83 2.45 7.94 0.26 -4.84 117.00 124.29 1sqi n LEU 45 Ca 0.14 0.02 -0.06 0.00 -1.11 0.00 0.00 56.01 55.01 1sqi n LEU 45 Cb 0.34 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1sqi n LEU 45 CO 0.64 0.42 0.61 0.00 -1.11 0.00 0.00 177.39 177.94 1sqi s ALA 46 N -2.15 -1.22 -0.05 1.96 0.00 -0.67 -4.36 121.76 115.28 1sqi s ALA 46 Ca -0.11 -0.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.22 1sqi s ALA 46 Cb 0.03 0.73 0.06 0.00 0.00 0.00 0.00 23.12 23.94 1sqi s ALA 46 CO 0.16 -1.03 0.57 -0.47 0.00 0.00 0.00 175.76 174.99 1sqi s TYR 47 N -2.89 -0.52 -0.13 0.00 5.04 -0.40 -0.21 117.35 118.24 1sqi s TYR 47 Ca 0.15 0.91 -0.07 0.00 -2.44 0.00 0.00 57.07 55.62 1sqi s TYR 47 Cb -0.04 0.31 0.05 0.00 0.35 0.00 0.00 41.96 42.63 1sqi s TYR 47 CO 0.07 -0.53 0.31 0.21 -1.34 0.00 0.00 175.55 174.28 1sqi s LYS 48 N -1.14 0.28 0.00 4.97 2.20 -0.28 -0.81 119.74 124.96 1sqi s LYS 48 Ca -0.11 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 1sqi s LYS 48 Cb -0.02 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 1sqi s LYS 48 CO 0.08 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 1sqi n GLY 49 N 4.28 -0.70 0.36 5.54 0.00 -1.26 0.98 105.19 114.40 1sqi n GLY 49 Ca -0.24 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.10 1sqi n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sqi h LEU 50 N 0.00 0.77 -0.17 0.99 3.38 -1.84 0.28 115.31 118.72 1sqi h LEU 50 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sqi h LEU 50 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1sqi h LEU 50 CO 0.00 0.29 0.00 -1.84 0.09 0.00 0.00 178.44 176.98 1sqi n GLU 51 N -4.71 0.23 -0.20 1.13 0.00 -1.26 -2.73 120.64 113.09 1sqi n GLU 51 Ca 0.22 0.25 0.11 0.00 0.00 0.00 0.00 57.16 57.75 1sqi n GLU 51 Cb 0.56 -1.80 0.22 0.00 0.00 0.00 0.00 31.44 30.41 1sqi n GLU 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1sqi n THR 52 N -2.21 0.56 -0.21 3.84 -2.24 -0.00 -4.94 114.28 109.07 1sqi n THR 52 Ca 0.05 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1sqi n THR 52 Cb 0.38 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1sqi n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqi n GLY 53 N 1.44 0.83 3.35 3.38 0.00 -1.06 -4.87 105.19 108.27 1sqi n GLY 53 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1sqi n GLY 53 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sqi s SER 54 N -2.23 6.29 0.05 1.61 0.15 -0.64 -4.93 113.70 114.00 1sqi s SER 54 Ca 0.00 -1.75 0.24 0.00 0.70 0.00 0.00 55.95 55.14 1sqi s SER 54 Cb 0.00 -2.27 0.26 0.00 -1.71 0.00 0.00 66.02 62.30 1sqi s SER 54 CO 0.00 -0.96 1.22 0.54 1.20 0.00 0.00 173.24 175.24 1sqi n ARG 55 N 5.70 0.17 -0.11 5.44 1.74 -1.26 -3.05 116.66 125.30 1sqi n ARG 55 Ca -0.06 0.02 -0.14 0.00 -0.77 0.00 0.00 57.85 56.91 1sqi n ARG 55 Cb 0.43 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 1sqi n ARG 55 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sqi n GLU 56 N -1.81 0.70 -4.57 5.56 4.71 -1.26 -4.67 120.64 119.30 1sqi n GLU 56 Ca 0.04 0.10 -0.22 0.00 -0.01 0.00 0.00 57.16 57.06 1sqi n GLU 56 Cb 0.40 -1.45 -0.16 0.00 -1.01 0.00 0.00 31.44 29.22 1sqi n GLU 56 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1sqi s VAL 57 N -2.44 1.04 -0.04 2.62 1.01 -1.26 -0.56 120.40 120.76 1sqi s VAL 57 Ca -0.25 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1sqi s VAL 57 Cb 0.07 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1sqi s VAL 57 CO 0.56 0.31 0.25 -0.69 0.00 0.00 0.00 175.10 175.53 1sqi s VAL 58 N 0.09 5.32 -0.09 2.92 1.01 -0.11 -4.31 120.40 125.23 1sqi s VAL 58 Ca -0.02 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1sqi s VAL 58 Cb -0.09 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1sqi s VAL 58 CO 0.01 0.50 -0.08 -0.44 0.00 0.00 0.00 175.10 175.08 1sqi s SER 59 N -1.34 1.90 -0.28 3.32 0.01 0.28 -2.32 113.70 115.25 1sqi s SER 59 Ca 0.22 -0.27 -0.09 0.00 1.31 0.00 0.00 55.95 57.12 1sqi s SER 59 Cb -0.13 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.29 1sqi s SER 59 CO 0.11 -0.07 0.13 -1.00 0.41 0.00 0.00 173.24 172.83 1sqi s HIS 60 N 1.31 3.16 -0.26 2.43 3.76 0.07 -1.13 115.29 124.62 1sqi s HIS 60 Ca -0.03 -0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 54.44 1sqi s HIS 60 Cb -0.14 -2.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.18 1sqi s HIS 60 CO -0.03 -0.34 0.17 0.08 -0.85 0.00 0.00 174.74 173.77 1sqi s VAL 61 N 1.65 5.32 0.26 -0.90 1.01 0.70 -0.49 120.40 127.96 1sqi s VAL 61 Ca 0.06 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1sqi s VAL 61 Cb -0.16 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1sqi s VAL 61 CO 0.07 0.30 -0.12 0.27 0.00 0.00 0.00 175.10 175.62 1sqi s ILE 62 N 1.40 1.87 -0.10 2.22 -4.36 -0.55 0.91 121.20 122.59 1sqi s ILE 62 Ca 0.07 -2.21 -0.18 0.00 -0.26 0.00 0.00 60.65 58.06 1sqi s ILE 62 Cb -0.15 -2.29 0.04 0.00 1.25 0.00 0.00 42.46 41.32 1sqi s ILE 62 CO 0.08 -0.42 0.45 -0.75 0.24 0.00 0.00 174.94 174.54 1sqi s LYS 63 N -3.65 0.68 -0.13 0.37 2.20 -0.01 -1.81 119.74 117.39 1sqi s LYS 63 Ca 0.27 0.31 -0.05 0.00 -0.36 0.00 0.00 55.97 56.14 1sqi s LYS 63 Cb 0.00 0.32 0.06 0.00 -1.51 0.00 0.00 37.83 36.70 1sqi s LYS 63 CO 0.11 -0.15 0.26 -1.14 -0.36 0.00 0.00 175.35 174.07 1sqi s GLN 64 N -0.52 0.16 6.56 4.03 0.74 -0.44 -1.80 119.66 128.39 1sqi s GLN 64 Ca -0.06 0.71 0.00 0.00 0.05 0.00 0.00 55.36 56.05 1sqi s GLN 64 Cb -0.03 -0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.03 1sqi s GLN 64 CO 0.03 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 1sqi n GLY 65 N 5.10 3.99 0.02 2.59 0.00 -1.23 -0.56 105.19 115.10 1sqi n GLY 65 Ca -0.10 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1sqi n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqi n LYS 66 N 14.00 0.25 -2.18 1.61 4.76 0.19 -4.94 118.16 131.85 1sqi n LYS 66 Ca 0.00 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 1sqi n LYS 66 Cb 0.00 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.60 1sqi n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1sqi s ILE 67 N -3.18 3.83 -0.23 -0.18 1.01 0.27 -4.92 121.20 117.80 1sqi s ILE 67 Ca 0.04 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1sqi s ILE 67 Cb 0.15 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.98 1sqi s ILE 67 CO 0.81 -0.08 -0.11 -0.69 0.00 0.00 0.00 174.94 174.87 1sqi s VAL 68 N 3.63 2.49 -0.10 2.92 1.01 -1.26 -1.33 120.40 127.77 1sqi s VAL 68 Ca 0.66 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1sqi s VAL 68 Cb -0.29 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1sqi s VAL 68 CO 0.24 0.25 0.02 -0.36 0.00 0.00 0.00 175.10 175.24 1sqi s PHE 69 N 1.27 3.20 -0.18 5.22 2.99 -0.75 -0.70 117.98 129.03 1sqi s PHE 69 Ca -0.00 0.19 0.01 0.00 0.00 0.00 0.00 56.93 57.12 1sqi s PHE 69 Cb -0.16 -1.83 0.02 0.00 0.00 0.00 0.00 43.02 41.04 1sqi s PHE 69 CO -0.07 0.44 -0.19 0.08 -0.00 0.00 0.00 175.22 175.48 1sqi s VAL 70 N -0.74 2.15 -0.23 -0.44 1.01 0.58 -1.49 120.40 121.24 1sqi s VAL 70 Ca 0.12 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1sqi s VAL 70 Cb -0.12 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1sqi s VAL 70 CO 0.02 0.53 0.06 -0.76 0.00 0.00 0.00 175.10 174.96 1sqi s LEU 71 N 1.23 3.48 0.04 3.92 1.43 0.36 0.16 118.68 129.29 1sqi s LEU 71 Ca 0.03 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.06 1sqi s LEU 71 Cb -0.13 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1sqi s LEU 71 CO -0.11 0.02 -0.24 0.00 0.23 0.00 0.00 176.35 176.25 1sqi s SER 73 N -1.11 0.33 0.48 0.00 0.01 -0.98 -1.41 113.70 111.02 1sqi s SER 73 Ca 0.10 -0.60 -0.23 0.00 1.31 0.00 0.00 55.95 56.53 1sqi s SER 73 Cb -0.09 0.11 -0.07 0.00 0.21 0.00 0.00 66.02 66.18 1sqi s SER 73 CO 0.01 -0.35 1.21 0.00 0.41 0.00 0.00 173.24 174.53 1sqi s ALA 74 N -1.92 2.95 -0.12 1.44 0.00 -1.26 -0.93 121.76 121.91 1sqi s ALA 74 Ca -0.11 1.04 0.22 0.00 0.00 0.00 0.00 51.96 53.10 1sqi s ALA 74 Cb -0.07 -3.43 -0.19 0.00 0.00 0.00 0.00 23.12 19.44 1sqi s ALA 74 CO -0.03 -0.83 0.70 1.28 0.00 0.00 0.00 175.76 176.89 1sqi n LEU 75 N -0.59 0.40 -4.57 0.00 4.77 0.27 -4.80 117.00 112.48 1sqi n LEU 75 Ca 0.08 0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 1sqi n LEU 75 Cb 0.47 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1sqi n LEU 75 CO 0.49 -0.04 -0.41 0.20 -1.33 0.00 0.00 177.39 176.30 1sqi s ASN 76 N -4.99 4.44 0.45 -1.43 0.01 -1.26 -5.06 114.94 107.09 1sqi s ASN 76 Ca -0.05 -0.27 -0.23 0.00 -0.71 0.00 0.00 52.86 51.60 1sqi s ASN 76 Cb 0.11 -0.93 -0.10 0.00 0.41 0.00 0.00 41.25 40.74 1sqi s ASN 76 CO 0.85 0.24 0.95 -2.65 -1.51 0.00 0.00 177.10 174.99 1sqi n PRO 77 N 1.26 1.21 -3.00 -0.60 -0.02 -1.26 -3.31 135.00 129.27 1sqi n PRO 77 Ca -0.15 0.44 -0.19 0.00 -2.02 0.00 0.00 63.50 61.58 1sqi n PRO 77 Cb 0.52 -2.00 0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1sqi n PRO 77 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sqi n TRP 78 N -0.70 -1.80 -2.08 6.00 7.02 -1.26 -4.93 117.44 119.69 1sqi n TRP 78 Ca 0.10 0.53 -0.43 0.00 -1.02 0.00 0.00 57.50 56.68 1sqi n TRP 78 Cb 0.40 -4.00 -0.03 0.00 -2.42 0.00 0.00 31.31 25.27 1sqi n TRP 78 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1sqi s ASN 79 N -2.88 6.26 0.03 -0.99 3.84 -1.21 -4.91 114.94 115.08 1sqi s ASN 79 Ca 0.30 1.55 -0.23 0.00 0.21 0.00 0.00 52.86 54.69 1sqi s ASN 79 Cb -0.13 -2.53 -0.13 0.00 -0.55 0.00 0.00 41.25 37.91 1sqi s ASN 79 CO 0.38 -1.37 1.30 0.50 -2.79 0.00 0.00 177.10 175.12 1sqi h LYS 80 N 11.27 -0.79 -0.15 0.43 1.63 -1.94 0.25 116.57 127.27 1sqi h LYS 80 Ca -0.34 0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.46 1sqi h LYS 80 Cb 1.16 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1sqi h LYS 80 CO 1.01 -0.53 -0.13 1.49 -3.45 0.00 0.00 179.45 177.84 1sqi h GLU 81 N -0.85 0.35 -0.20 1.90 4.81 -2.00 0.97 114.58 119.56 1sqi h GLU 81 Ca -0.08 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 58.79 1sqi h GLU 81 Cb 0.63 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1sqi h GLU 81 CO 0.14 0.72 -0.59 0.52 -0.73 0.00 0.00 179.01 179.07 1sqi h MET 82 N -0.01 0.67 0.05 1.92 2.86 -1.99 -2.92 114.93 115.50 1sqi h MET 82 Ca 0.03 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1sqi h MET 82 Cb 0.65 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1sqi h MET 82 CO 0.03 1.06 -0.06 0.78 1.06 0.00 0.00 176.91 179.78 1sqi h GLY 83 N 0.92 -0.11 0.78 8.32 0.00 -0.88 0.21 103.07 112.30 1sqi h GLY 83 Ca -0.00 0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.44 1sqi h GLY 83 CO 0.12 -0.07 0.18 -0.55 0.00 0.00 0.00 176.54 176.22 1sqi h ASP 84 N -0.14 0.26 -0.34 0.19 3.32 -0.83 -1.05 116.42 117.83 1sqi h ASP 84 Ca 0.01 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1sqi h ASP 84 Cb 0.14 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1sqi h ASP 84 CO -0.03 0.19 0.18 -0.74 -1.72 0.00 0.00 179.24 177.11 1sqi h HIS 85 N 0.38 0.33 0.13 4.55 2.76 -1.44 0.28 115.15 122.13 1sqi h HIS 85 Ca 0.17 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1sqi h HIS 85 Cb 0.09 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1sqi h HIS 85 CO -0.11 0.18 -0.16 1.25 -1.30 0.00 0.00 177.93 177.79 1sqi h LEU 86 N 0.36 -0.44 -0.74 0.26 6.46 -0.63 0.21 115.31 120.80 1sqi h LEU 86 Ca 0.14 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1sqi h LEU 86 Cb 0.04 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 1sqi h LEU 86 CO -0.09 -0.24 0.48 0.58 -0.62 0.00 0.00 178.44 178.55 1sqi h VAL 87 N -0.34 1.14 0.31 1.05 2.07 -1.05 0.52 116.25 119.96 1sqi h VAL 87 Ca 0.01 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1sqi h VAL 87 Cb 0.34 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1sqi h VAL 87 CO -0.07 0.17 -0.15 0.50 0.02 0.00 0.00 177.57 178.05 1sqi h LYS 88 N 0.95 -0.40 0.00 1.57 3.64 -0.14 -3.39 116.57 118.80 1sqi h LYS 88 Ca 0.29 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1sqi h LYS 88 Cb -0.04 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1sqi h LYS 88 CO -0.09 -0.11 -1.94 0.72 -2.27 0.00 0.00 179.45 175.76 1sqi n HIS 89 N -5.16 0.00 -4.07 1.91 8.25 0.73 -4.55 115.22 112.33 1sqi n HIS 89 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1sqi n HIS 89 Cb 0.25 -0.54 -0.00 0.00 1.12 0.00 0.00 29.99 30.82 1sqi n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqi n GLY 90 N 1.58 -2.02 3.73 -1.41 0.00 0.17 -4.79 105.19 102.45 1sqi n GLY 90 Ca -0.10 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1sqi n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sqi s ASP 91 N -4.00 6.39 0.05 1.61 1.11 -1.26 -4.66 116.67 115.92 1sqi s ASP 91 Ca 0.00 2.87 -0.27 0.00 0.18 0.00 0.00 52.55 55.33 1sqi s ASP 91 Cb 0.00 -2.61 0.09 0.00 1.07 0.00 0.00 42.92 41.47 1sqi s ASP 91 CO 0.00 -0.95 1.21 -0.83 1.18 0.00 0.00 175.17 175.78 1sqi s GLY 92 N 1.00 -0.08 0.09 0.21 0.00 -1.10 -4.89 107.32 102.55 1sqi s GLY 92 Ca 0.71 -0.02 -0.30 0.00 0.00 0.00 0.00 44.72 45.11 1sqi s GLY 92 CO 0.36 4.10 1.19 0.14 0.00 0.00 0.00 173.10 178.89 1sqi s VAL 93 N -2.12 3.94 -0.22 1.40 1.01 -1.26 -1.32 120.40 121.83 1sqi s VAL 93 Ca 0.26 1.44 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 1sqi s VAL 93 Cb -0.01 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 1sqi s VAL 93 CO 0.01 0.14 -0.18 1.17 0.00 0.00 0.00 175.10 176.24 1sqi n LYS 94 N 3.58 0.55 -4.76 2.72 3.00 0.20 -4.81 118.16 118.64 1sqi n LYS 94 Ca 0.08 0.38 -0.24 0.00 -0.00 0.00 0.00 58.31 58.52 1sqi n LYS 94 Cb 0.46 -1.58 -0.15 0.00 0.00 0.00 0.00 35.03 33.76 1sqi n LYS 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1sqi s ASP 95 N -6.75 1.91 -0.35 3.14 2.15 -0.94 -1.53 116.67 114.31 1sqi s ASP 95 Ca -0.31 -0.30 -0.07 0.00 0.43 0.00 0.00 52.55 52.31 1sqi s ASP 95 Cb 0.08 -0.26 0.04 0.00 -0.30 0.00 0.00 42.92 42.48 1sqi s ASP 95 CO 0.47 0.19 0.13 -0.63 -0.17 0.00 0.00 175.17 175.15 1sqi s ILE 96 N -0.31 3.87 0.08 4.11 1.01 -0.32 -0.81 121.20 128.83 1sqi s ILE 96 Ca 0.05 -1.14 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 1sqi s ILE 96 Cb -0.07 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 1sqi s ILE 96 CO -0.00 -0.22 0.69 0.00 0.00 0.00 0.00 174.94 175.41 1sqi s ALA 97 N 1.41 3.47 -0.09 9.38 0.00 0.10 -3.05 121.76 132.99 1sqi s ALA 97 Ca -0.01 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.17 1sqi s ALA 97 Cb -0.20 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.06 1sqi s ALA 97 CO 0.03 0.24 -0.16 -0.06 0.00 0.00 0.00 175.76 175.80 1sqi s PHE 98 N -0.67 2.69 -0.04 0.00 2.99 0.23 -0.97 117.98 122.21 1sqi s PHE 98 Ca 0.34 -0.53 -0.25 0.00 0.00 0.00 0.00 56.93 56.49 1sqi s PHE 98 Cb -0.21 -1.72 -0.04 0.00 0.00 0.00 0.00 43.02 41.06 1sqi s PHE 98 CO 0.22 -0.10 0.78 -2.00 -0.00 0.00 0.00 175.22 174.13 1sqi s GLU 99 N -0.10 4.48 0.15 0.44 2.12 -0.31 -0.66 118.70 124.81 1sqi s GLU 99 Ca -0.03 1.04 0.02 0.00 0.36 0.00 0.00 54.97 56.37 1sqi s GLU 99 Cb -0.14 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1sqi s GLU 99 CO 0.04 0.05 -0.04 0.14 -0.54 0.00 0.00 175.26 174.91 1sqi s VAL 100 N 0.80 0.80 -0.08 3.70 -7.23 -0.40 0.14 120.40 118.12 1sqi s VAL 100 Ca 0.42 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1sqi s VAL 100 Cb -0.19 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 1sqi s VAL 100 CO 0.21 -0.63 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.71 1sqi s GLU 101 N -3.86 2.87 -0.92 4.82 2.02 0.87 -4.50 118.70 120.00 1sqi s GLU 101 Ca 0.19 -0.51 -0.08 0.00 0.02 0.00 0.00 54.97 54.59 1sqi s GLU 101 Cb 0.05 -2.66 -0.00 0.00 0.10 0.00 0.00 34.13 31.61 1sqi s GLU 101 CO 0.01 0.64 0.71 -3.47 0.02 0.00 0.00 175.26 173.17 1sqi n ASP 102 N 2.30 -5.95 -0.20 -0.19 -0.08 -1.26 -1.34 116.55 109.83 1sqi n ASP 102 Ca -0.18 -0.72 0.00 0.00 -1.51 0.00 0.00 54.79 52.39 1sqi n ASP 102 Cb 0.53 -3.46 0.09 0.00 2.34 0.00 0.00 41.12 40.62 1sqi n ASP 102 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sqi h GLU 104 N 0.09 0.79 -0.25 0.00 4.39 -1.97 -1.13 114.58 116.50 1sqi h GLU 104 Ca 0.31 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.83 1sqi h GLU 104 Cb 0.50 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1sqi h GLU 104 CO -0.54 0.52 -0.36 0.45 -1.16 0.00 0.00 179.01 177.92 1sqi h HIS 105 N 0.81 0.84 -0.58 4.33 3.86 -1.72 -1.33 115.15 121.36 1sqi h HIS 105 Ca 0.35 -0.28 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1sqi h HIS 105 Cb 0.21 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 1sqi h HIS 105 CO -0.06 1.04 0.25 0.82 0.86 0.00 0.00 177.93 180.84 1sqi h ILE 106 N 0.40 0.86 -0.10 2.45 2.04 -0.92 -1.06 117.51 121.17 1sqi h ILE 106 Ca 0.02 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1sqi h ILE 106 Cb 0.95 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1sqi h ILE 106 CO 0.08 0.09 0.05 0.58 0.00 0.00 0.00 178.15 178.95 1sqi h VAL 107 N 0.47 1.12 -0.35 1.67 2.07 -1.20 -0.43 116.25 119.60 1sqi h VAL 107 Ca 0.28 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1sqi h VAL 107 Cb 0.27 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 1sqi h VAL 107 CO -0.24 0.11 -0.29 -0.61 0.02 0.00 0.00 177.57 176.56 1sqi h GLN 108 N 0.03 -0.24 -0.26 1.57 4.15 -0.86 0.00 115.11 119.51 1sqi h GLN 108 Ca 0.04 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.51 1sqi h GLN 108 Cb 0.13 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1sqi h GLN 108 CO -0.00 -0.16 0.01 -0.22 -1.93 0.00 0.00 178.83 176.52 1sqi h LYS 109 N -0.25 0.09 -0.68 1.69 1.63 -1.13 -1.50 116.57 116.42 1sqi h LYS 109 Ca 0.17 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1sqi h LYS 109 Cb 0.51 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1sqi h LYS 109 CO -0.49 0.06 0.40 0.00 -3.45 0.00 0.00 179.45 175.96 1sqi h ALA 110 N 1.21 0.87 -0.44 5.00 0.00 -0.62 -2.25 119.26 123.03 1sqi h ALA 110 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sqi h ALA 110 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1sqi h ALA 110 CO -0.20 0.36 0.21 -0.09 0.00 0.00 0.00 179.25 179.53 1sqi h ARG 111 N 0.93 0.63 -0.73 0.00 2.43 -0.80 0.23 114.38 117.06 1sqi h ARG 111 Ca 0.24 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1sqi h ARG 111 Cb -0.01 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 1sqi h ARG 111 CO -0.04 0.54 0.45 0.93 -1.51 0.00 0.00 179.97 180.34 1sqi h GLU 112 N 0.57 0.85 0.00 0.20 5.08 -1.12 -2.99 114.58 117.17 1sqi h GLU 112 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1sqi h GLU 112 Cb 0.11 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1sqi h GLU 112 CO -0.02 0.56 0.00 0.54 -1.00 0.00 0.00 179.01 179.09 1sqi n ARG 113 N -4.66 0.05 0.00 2.33 5.12 -0.86 -4.91 116.66 113.73 1sqi n ARG 113 Ca 0.09 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 1sqi n ARG 113 Cb 0.11 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.85 1sqi n ARG 113 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sqi n GLY 114 N 1.46 0.95 3.77 -0.13 0.00 -0.85 -4.80 105.19 105.58 1sqi n GLY 114 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1sqi n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqi s ALA 115 N -1.20 3.04 -0.20 4.61 0.00 0.01 -4.98 121.76 123.03 1sqi s ALA 115 Ca 0.00 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.82 1sqi s ALA 115 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1sqi s ALA 115 CO 0.00 -0.83 0.77 0.21 0.00 0.00 0.00 175.76 175.91 1sqi s LYS 116 N -2.58 4.24 -0.52 0.00 2.20 -1.26 -4.42 119.74 117.39 1sqi s LYS 116 Ca 0.63 0.87 -0.24 0.00 -0.36 0.00 0.00 55.97 56.87 1sqi s LYS 116 Cb -0.34 -3.60 0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1sqi s LYS 116 CO 0.41 -0.36 0.90 0.42 -0.36 0.00 0.00 175.35 176.37 1sqi s ILE 117 N 2.28 4.46 0.10 5.43 -1.09 -1.26 -1.89 121.20 129.24 1sqi s ILE 117 Ca 0.34 0.33 -0.14 0.00 -2.23 0.00 0.00 60.65 58.95 1sqi s ILE 117 Cb -0.16 -4.48 -0.09 0.00 -1.58 0.00 0.00 42.46 36.15 1sqi s ILE 117 CO 0.10 -1.00 1.41 0.58 -1.23 0.00 0.00 174.94 174.81 1sqi h VAL 118 N 6.02 1.30 -3.22 2.92 2.07 -0.74 -3.43 116.25 121.16 1sqi h VAL 118 Ca -0.26 -1.52 -0.41 0.00 0.82 0.00 0.00 66.70 65.34 1sqi h VAL 118 Cb 1.08 1.60 -0.40 0.00 -1.52 0.00 0.00 31.29 32.05 1sqi h VAL 118 CO 1.05 0.49 -0.75 -0.60 0.02 0.00 0.00 177.57 177.79 1sqi s ARG 119 N -4.30 0.06 0.65 1.57 3.52 -0.83 -4.97 118.95 114.65 1sqi s ARG 119 Ca -0.12 0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.49 1sqi s ARG 119 Cb 0.09 -1.02 -0.02 0.00 -1.56 0.00 0.00 34.95 32.43 1sqi s ARG 119 CO 0.84 -0.44 1.04 0.39 -0.81 0.00 0.00 175.30 176.32 1sqi n GLU 120 N 5.27 0.82 -1.49 5.12 -0.58 -1.26 -1.63 120.64 126.89 1sqi n GLU 120 Ca -0.05 0.33 -0.49 0.00 -0.42 0.00 0.00 57.16 56.53 1sqi n GLU 120 Cb 0.50 -2.27 -0.04 0.00 -0.57 0.00 0.00 31.44 29.06 1sqi n GLU 120 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1sqi n PRO 121 N -1.48 0.48 -3.81 3.49 -0.02 -1.25 -4.75 135.00 127.65 1sqi n PRO 121 Ca 0.14 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 1sqi n PRO 121 Cb 0.48 -1.43 -0.08 0.00 -0.02 0.00 0.00 33.50 32.46 1sqi n PRO 121 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1sqi s TRP 122 N -0.66 0.02 -0.05 6.00 -2.14 -0.04 -4.96 118.94 117.10 1sqi s TRP 122 Ca 0.70 -0.27 0.04 0.00 2.66 0.00 0.00 56.10 59.23 1sqi s TRP 122 Cb -0.93 0.02 -0.02 0.00 -3.10 0.00 0.00 33.47 29.43 1sqi s TRP 122 CO 0.56 -0.50 -0.17 0.08 -2.66 0.00 0.00 176.95 174.27 1sqi s VAL 123 N -2.97 2.85 -0.02 -0.66 1.01 -1.26 -0.00 120.40 119.35 1sqi s VAL 123 Ca -0.02 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1sqi s VAL 123 Cb 0.01 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1sqi s VAL 123 CO -0.06 0.59 -0.17 -1.61 0.00 0.00 0.00 175.10 173.84 1sqi s GLU 124 N -0.66 1.42 0.12 2.72 2.02 -0.37 -4.96 118.70 118.99 1sqi s GLU 124 Ca 0.10 -0.61 0.04 0.00 0.02 0.00 0.00 54.97 54.52 1sqi s GLU 124 Cb -0.11 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1sqi s GLU 124 CO 0.00 0.36 -0.11 -2.00 0.02 0.00 0.00 175.26 173.54 1sqi s GLU 125 N -0.37 0.97 0.00 1.61 2.12 -1.26 -1.00 118.70 120.78 1sqi s GLU 125 Ca 0.06 -1.31 0.00 0.00 0.36 0.00 0.00 54.97 54.08 1sqi s GLU 125 Cb -0.07 -0.64 0.00 0.00 0.26 0.00 0.00 34.13 33.68 1sqi s GLU 125 CO -0.00 0.09 0.00 -0.40 -0.54 0.00 0.00 175.26 174.41 1sqi n ASP 126 N 0.20 0.00 0.32 -1.70 5.68 -0.49 -4.86 116.55 115.71 1sqi n ASP 126 Ca -0.13 -0.50 0.17 0.00 -0.50 0.00 0.00 54.79 53.82 1sqi n ASP 126 Cb 0.59 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 41.45 1sqi n ASP 126 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1sqi h LYS 127 N 0.00 0.00 0.00 0.11 1.57 -2.05 -2.03 116.57 114.17 1sqi h LYS 127 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sqi h LYS 127 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sqi h LYS 127 CO 0.00 0.00 -0.95 1.19 -0.57 0.00 0.00 179.45 179.12 1sqi n PHE 128 N -3.00 0.00 0.00 -1.35 3.01 -1.26 -5.07 117.46 109.79 1sqi n PHE 128 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1sqi n PHE 128 Cb 0.35 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1sqi n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sqi n GLY 129 N 1.49 0.48 3.49 1.37 0.00 -0.76 -2.55 105.19 108.71 1sqi n GLY 129 Ca 0.04 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 1sqi n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqi s LYS 130 N -0.64 2.11 -0.05 1.61 1.02 -1.26 -1.39 119.74 121.14 1sqi s LYS 130 Ca 0.00 -0.97 0.02 0.00 0.02 0.00 0.00 55.97 55.04 1sqi s LYS 130 Cb 0.00 -2.23 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1sqi s LYS 130 CO 0.00 0.54 -0.11 0.08 -0.92 0.00 0.00 175.35 174.94 1sqi s VAL 131 N -0.98 1.01 -0.14 3.17 1.01 -0.17 -1.26 120.40 123.03 1sqi s VAL 131 Ca 0.16 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1sqi s VAL 131 Cb -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1sqi s VAL 131 CO 0.07 0.32 0.12 -0.75 0.00 0.00 0.00 175.10 174.86 1sqi s LYS 132 N 0.51 3.60 0.18 2.72 2.20 0.11 -1.23 119.74 127.81 1sqi s LYS 132 Ca -0.10 -0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.40 1sqi s LYS 132 Cb -0.13 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1sqi s LYS 132 CO 0.02 0.65 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.46 1sqi s PHE 133 N -0.65 1.59 -0.10 4.03 0.40 1.00 -0.03 117.98 124.22 1sqi s PHE 133 Ca 0.13 -0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 1sqi s PHE 133 Cb -0.12 -0.77 0.07 0.00 0.51 0.00 0.00 43.02 42.71 1sqi s PHE 133 CO 0.02 0.27 0.67 0.00 0.70 0.00 0.00 175.22 176.89 1sqi s ALA 134 N -2.79 -1.72 -0.13 5.36 0.00 -1.06 -0.87 121.76 120.55 1sqi s ALA 134 Ca 0.18 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.61 1sqi s ALA 134 Cb -0.01 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1sqi s ALA 134 CO 0.05 -0.36 -0.22 0.08 0.00 0.00 0.00 175.76 175.31 1sqi s VAL 135 N -0.83 2.07 0.27 0.00 1.01 -0.65 -0.38 120.40 121.89 1sqi s VAL 135 Ca -0.09 -0.98 0.11 0.00 0.00 0.00 0.00 61.98 61.02 1sqi s VAL 135 Cb -0.01 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1sqi s VAL 135 CO 0.08 0.55 -0.13 -0.76 0.00 0.00 0.00 175.10 174.84 1sqi s LEU 136 N 0.73 2.81 -0.25 3.92 1.43 -0.55 -0.00 118.68 126.77 1sqi s LEU 136 Ca -0.09 -0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 1sqi s LEU 136 Cb -0.16 -1.33 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1sqi s LEU 136 CO -0.00 0.03 0.26 -1.58 0.23 0.00 0.00 176.35 175.29 1sqi s GLN 137 N -3.54 4.05 0.00 1.70 2.00 -0.79 -0.64 119.66 122.44 1sqi s GLN 137 Ca 0.30 -0.12 0.00 0.00 -2.00 0.00 0.00 55.36 53.54 1sqi s GLN 137 Cb -0.06 -3.59 0.00 0.00 0.80 0.00 0.00 33.01 30.16 1sqi s GLN 137 CO 0.17 -0.08 0.00 -2.37 -0.50 0.00 0.00 175.29 172.50 1sqi n THR 138 N 4.64 0.00 -1.53 -0.34 5.66 0.05 -4.60 114.28 118.16 1sqi n THR 138 Ca -0.12 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.54 1sqi n THR 138 Cb 0.52 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.38 1sqi n THR 138 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1sqi s TYR 139 N 3.08 2.17 0.00 1.09 -0.85 -1.26 -4.51 117.35 117.07 1sqi s TYR 139 Ca 0.00 1.58 0.00 0.00 -0.52 0.00 0.00 57.07 58.13 1sqi s TYR 139 Cb 0.00 -3.43 0.00 0.00 0.38 0.00 0.00 41.96 38.91 1sqi s TYR 139 CO 0.00 -2.44 0.00 0.41 -1.52 0.00 0.00 175.55 172.00 1sqi n GLY 140 N 0.27 3.15 1.21 5.49 0.00 -1.26 -0.73 105.19 113.31 1sqi n GLY 140 Ca 0.13 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1sqi n GLY 140 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqi n ASP 141 N 3.65 3.58 -4.74 1.61 10.43 -1.26 -4.99 116.55 124.82 1sqi n ASP 141 Ca 0.00 -1.99 -0.41 0.00 2.57 0.00 0.00 54.79 54.96 1sqi n ASP 141 Cb 0.00 -0.33 -0.05 0.00 1.84 0.00 0.00 41.12 42.58 1sqi n ASP 141 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1sqi s THR 142 N -1.33 3.91 0.38 -3.53 2.01 0.09 -4.91 115.64 112.26 1sqi s THR 142 Ca 0.42 1.75 0.08 0.00 0.31 0.00 0.00 61.69 64.26 1sqi s THR 142 Cb 0.24 -4.12 -0.07 0.00 0.01 0.00 0.00 72.50 68.56 1sqi s THR 142 CO 0.32 0.35 -0.02 0.42 -0.69 0.00 0.00 174.62 174.99 1sqi s THR 143 N -0.61 2.15 -0.16 -0.82 -4.23 -0.58 -0.77 115.64 110.63 1sqi s THR 143 Ca 0.46 -2.07 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1sqi s THR 143 Cb -0.28 -2.84 0.02 0.00 1.34 0.00 0.00 72.50 70.73 1sqi s THR 143 CO 0.35 -0.09 -0.16 -1.00 -0.54 0.00 0.00 174.62 173.17 1sqi s HIS 144 N -2.65 2.37 -0.22 3.99 3.76 0.19 -1.18 115.29 121.54 1sqi s HIS 144 Ca 0.34 -1.35 -0.18 0.00 -0.15 0.00 0.00 55.06 53.73 1sqi s HIS 144 Cb 0.06 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.02 1sqi s HIS 144 CO 0.18 -0.71 0.49 0.99 -0.85 0.00 0.00 174.74 174.84 1sqi s THR 145 N 1.39 5.12 -0.01 1.30 2.01 -1.17 -1.49 115.64 122.79 1sqi s THR 145 Ca 0.04 0.86 -0.24 0.00 0.31 0.00 0.00 61.69 62.67 1sqi s THR 145 Cb -0.13 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 1sqi s THR 145 CO -0.11 0.16 0.71 -0.76 -0.69 0.00 0.00 174.62 173.94 1sqi s LEU 146 N 1.80 4.39 -0.20 4.42 1.43 0.49 -0.60 118.68 130.41 1sqi s LEU 146 Ca 0.22 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1sqi s LEU 146 Cb -0.15 -3.13 0.03 0.00 0.03 0.00 0.00 46.19 42.97 1sqi s LEU 146 CO 0.09 -0.02 -0.17 -0.69 0.23 0.00 0.00 176.35 175.79 1sqi s VAL 147 N 0.24 2.07 -0.29 -1.59 1.01 0.16 -2.55 120.40 119.45 1sqi s VAL 147 Ca 0.37 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1sqi s VAL 147 Cb -0.19 -1.98 0.07 0.00 0.00 0.00 0.00 36.38 34.29 1sqi s VAL 147 CO 0.20 0.35 -0.05 -0.70 0.00 0.00 0.00 175.10 174.90 1sqi s GLU 148 N 1.24 1.92 -0.10 2.72 2.12 0.95 -1.28 118.70 126.27 1sqi s GLU 148 Ca 0.00 -1.50 -0.29 0.00 0.36 0.00 0.00 54.97 53.54 1sqi s GLU 148 Cb -0.15 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.26 1sqi s GLU 148 CO -0.10 -0.70 1.00 0.15 -0.54 0.00 0.00 175.26 175.07 1sqi s LYS 149 N 1.06 4.42 0.00 4.30 1.02 -1.26 0.04 119.74 129.32 1sqi s LYS 149 Ca -0.02 1.38 0.00 0.00 0.02 0.00 0.00 55.97 57.36 1sqi s LYS 149 Cb -0.20 -3.54 0.00 0.00 -0.52 0.00 0.00 37.83 33.57 1sqi s LYS 149 CO -0.06 -0.31 0.00 -0.89 -0.92 0.00 0.00 175.35 173.17 1sqi n ILE 150 N 4.53 0.00 0.01 2.17 2.08 -0.39 -4.80 119.36 122.96 1sqi n ILE 150 Ca 0.09 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.43 1sqi n ILE 150 Cb 0.49 -0.26 -0.11 0.00 -0.75 0.00 0.00 39.64 39.01 1sqi n ILE 150 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1sqi n ASN 151 N -0.74 0.45 -4.49 4.38 3.02 -1.25 -4.98 115.26 111.66 1sqi n ASN 151 Ca 0.00 0.19 -0.53 0.00 -0.03 0.00 0.00 54.58 54.20 1sqi n ASN 151 Cb 0.00 0.91 -0.06 0.00 -0.61 0.00 0.00 39.78 40.03 1sqi n ASN 151 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sqi n TYR 152 N -2.64 0.45 -0.01 3.10 9.36 -1.25 -4.88 117.16 121.30 1sqi n TYR 152 Ca -0.10 0.94 0.00 0.00 3.32 0.00 0.00 57.90 62.06 1sqi n TYR 152 Cb 0.76 -2.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.38 1sqi n TYR 152 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1sqi n THR 153 N 1.07 0.00 -0.80 2.97 -2.24 -1.06 -5.05 114.28 109.18 1sqi n THR 153 Ca 0.18 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 1sqi n THR 153 Cb 0.17 1.01 0.17 0.00 -2.10 0.00 0.00 70.33 69.57 1sqi n THR 153 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1sqi s GLY 154 N -0.68 1.66 -0.01 3.38 0.00 -1.26 -5.00 107.32 105.41 1sqi s GLY 154 Ca 0.00 0.38 -0.26 0.00 0.00 0.00 0.00 44.72 44.84 1sqi s GLY 154 CO 0.00 0.84 1.32 0.07 0.00 0.00 0.00 173.10 175.33 1sqi h ARG 155 N -1.86 -0.01 0.00 2.90 0.11 -1.98 -3.45 114.38 110.09 1sqi h ARG 155 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1sqi h ARG 155 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1sqi h ARG 155 CO 0.45 0.41 0.00 0.34 0.10 0.00 0.00 179.97 181.28 1sqi n PHE 156 N -4.89 0.00 -4.02 4.08 -0.00 -1.26 -5.09 117.46 106.29 1sqi n PHE 156 Ca -0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.29 1sqi n PHE 156 Cb 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.61 1sqi n PHE 156 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1sqi s LEU 157 N -0.32 2.20 0.24 -2.13 1.43 -1.26 -5.06 118.68 113.78 1sqi s LEU 157 Ca 0.00 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.00 1sqi s LEU 157 Cb 0.00 0.35 -0.12 0.00 0.03 0.00 0.00 46.19 46.45 1sqi s LEU 157 CO 0.00 -0.54 1.67 -2.65 0.23 0.00 0.00 176.35 175.05 1sqi n PRO 158 N 0.48 2.71 0.00 1.29 -0.02 -1.26 -2.50 135.00 135.70 1sqi n PRO 158 Ca -0.17 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1sqi n PRO 158 Cb 0.60 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1sqi n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqi n GLY 159 N 3.22 0.13 3.50 -1.23 0.00 -1.26 -4.98 105.19 104.57 1sqi n GLY 159 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1sqi n GLY 159 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqi s PHE 160 N -2.00 3.17 0.77 1.61 0.40 -1.04 -4.77 117.98 116.11 1sqi s PHE 160 Ca 0.00 -0.24 -0.05 0.00 -0.60 0.00 0.00 56.93 56.04 1sqi s PHE 160 Cb 0.00 -2.33 0.14 0.00 0.51 0.00 0.00 43.02 41.33 1sqi s PHE 160 CO 0.00 -0.31 1.07 -1.21 0.70 0.00 0.00 175.22 175.47 1sqi s GLU 161 N 1.68 1.50 0.51 0.44 2.02 0.01 -4.75 118.70 120.11 1sqi s GLU 161 Ca 0.06 -0.86 -0.22 0.00 0.02 0.00 0.00 54.97 53.97 1sqi s GLU 161 Cb -0.16 -2.21 -0.06 0.00 0.10 0.00 0.00 34.13 31.80 1sqi s GLU 161 CO 0.07 -1.64 1.30 0.00 0.02 0.00 0.00 175.26 175.02 1sqi s ALA 162 N -3.32 2.91 0.15 5.21 0.00 -1.26 -1.28 121.76 124.18 1sqi s ALA 162 Ca 0.67 1.22 -0.34 0.00 0.00 0.00 0.00 51.96 53.51 1sqi s ALA 162 Cb -0.06 -3.51 -0.16 0.00 0.00 0.00 0.00 23.12 19.40 1sqi s ALA 162 CO 0.46 -1.12 1.23 -2.30 0.00 0.00 0.00 175.76 174.03 1sqi n PRO 163 N -0.76 1.23 0.00 0.00 -0.02 -1.26 -4.53 135.00 129.66 1sqi n PRO 163 Ca 0.09 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1sqi n PRO 163 Cb 0.46 -1.99 0.02 0.00 -0.02 0.00 0.00 33.50 31.97 1sqi n PRO 163 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sqi n THR 164 N 1.85 0.00 -3.71 3.45 -2.24 -1.26 -4.91 114.28 107.45 1sqi n THR 164 Ca 0.16 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1sqi n THR 164 Cb 0.24 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 1sqi n THR 164 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1sqi s TYR 165 N -2.00 -0.14 -0.23 4.78 -0.85 -1.26 -5.16 117.35 112.49 1sqi s TYR 165 Ca 0.01 -0.19 -0.16 0.00 -0.52 0.00 0.00 57.07 56.20 1sqi s TYR 165 Cb 0.01 0.38 0.06 0.00 0.38 0.00 0.00 41.96 42.79 1sqi s TYR 165 CO 0.01 -0.89 0.58 0.21 -1.52 0.00 0.00 175.55 173.94 1sqi s LYS 166 N -3.86 0.62 -0.50 -3.49 2.20 -1.26 -5.10 119.74 108.35 1sqi s LYS 166 Ca 0.08 0.94 -0.17 0.00 -0.36 0.00 0.00 55.97 56.46 1sqi s LYS 166 Cb -0.01 0.19 0.07 0.00 -1.51 0.00 0.00 37.83 36.58 1sqi s LYS 166 CO -0.04 -0.12 0.51 0.34 -0.36 0.00 0.00 175.35 175.67 1sqi s ASP 167 N 0.98 6.18 0.44 1.43 -1.08 -1.26 -4.93 116.67 118.44 1sqi s ASP 167 Ca -0.05 -1.23 0.29 0.00 -0.52 0.00 0.00 52.55 51.04 1sqi s ASP 167 Cb -0.05 -2.23 1.12 0.00 -1.46 0.00 0.00 42.92 40.29 1sqi s ASP 167 CO -0.09 -0.78 1.86 0.00 0.52 0.00 0.00 175.17 176.68 1sqi h THR 168 N 5.81 0.00 0.00 1.71 1.03 -2.05 -2.75 112.91 116.67 1sqi h THR 168 Ca -0.28 -0.49 -0.11 0.00 -0.01 0.00 0.00 66.41 65.51 1sqi h THR 168 Cb 1.10 1.42 -0.02 0.00 -1.07 0.00 0.00 68.15 69.59 1sqi h THR 168 CO 0.94 0.00 -0.54 0.25 -0.01 0.00 0.00 175.52 176.15 1sqi h LEU 169 N 0.00 0.00 -0.38 0.00 5.85 -2.02 -3.37 115.31 115.40 1sqi h LEU 169 Ca 0.00 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1sqi h LEU 169 Cb 0.54 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1sqi h LEU 169 CO 0.00 0.54 0.06 -0.07 -0.34 0.00 0.00 178.44 178.64 1sqi h LEU 170 N 0.00 -0.02 -2.30 2.25 3.38 -1.89 -0.92 115.31 115.81 1sqi h LEU 170 Ca -0.01 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sqi h LEU 170 Cb 1.10 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1sqi h LEU 170 CO 0.07 0.03 0.19 -0.65 0.09 0.00 0.00 178.44 178.16 1sqi h PRO 171 N 0.18 0.00 0.00 1.13 0.11 -1.78 -2.39 132.00 129.25 1sqi h PRO 171 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1sqi h PRO 171 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1sqi h PRO 171 CO -0.25 0.00 -0.46 1.63 -0.21 0.00 0.00 178.00 178.71 1sqi n LYS 172 N -3.62 0.05 -3.51 1.05 5.02 -0.36 -4.89 118.16 111.90 1sqi n LYS 172 Ca 0.01 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.00 1sqi n LYS 172 Cb 0.29 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1sqi n LYS 172 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sqi s LEU 173 N -3.20 4.19 0.46 -0.35 1.43 -0.90 -5.07 118.68 115.24 1sqi s LEU 173 Ca 0.11 0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 53.73 1sqi s LEU 173 Cb 0.17 -3.50 -0.08 0.00 0.03 0.00 0.00 46.19 42.81 1sqi s LEU 173 CO 0.68 -0.04 1.10 -2.16 0.23 0.00 0.00 176.35 176.16 1sqi s PRO 174 N -2.89 3.83 0.26 1.29 0.04 -1.26 -4.99 135.00 131.28 1sqi s PRO 174 Ca 0.44 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1sqi s PRO 174 Cb -0.11 -2.32 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 1sqi s PRO 174 CO 0.24 -0.45 1.34 -1.12 0.04 0.00 0.00 177.00 177.05 1sqi s SER 175 N -1.62 6.80 0.06 6.66 0.01 -1.26 -4.89 113.70 119.46 1sqi s SER 175 Ca 0.64 2.57 0.22 0.00 1.31 0.00 0.00 55.95 60.69 1sqi s SER 175 Cb -0.23 -2.63 -0.11 0.00 0.21 0.00 0.00 66.02 63.26 1sqi s SER 175 CO 0.28 -0.57 0.83 0.00 0.41 0.00 0.00 173.24 174.20 1sqi n ASN 177 N -2.22 -5.74 -4.73 0.00 3.02 -1.26 -4.38 115.26 99.95 1sqi n ASN 177 Ca -0.00 -0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.08 1sqi n ASN 177 Cb 0.50 -4.74 -0.04 0.00 -0.61 0.00 0.00 39.78 34.89 1sqi n ASN 177 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sqi s LEU 178 N -5.83 4.49 -0.24 3.41 1.43 -1.26 -4.48 118.68 116.20 1sqi s LEU 178 Ca 0.04 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1sqi s LEU 178 Cb -0.02 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.51 1sqi s LEU 178 CO 0.05 -0.15 -0.31 -0.62 0.23 0.00 0.00 176.35 175.55 1sqi n GLU 179 N 2.66 0.51 -3.51 1.70 -0.58 0.23 -3.47 120.64 118.17 1sqi n GLU 179 Ca 0.03 0.22 -0.15 0.00 -0.42 0.00 0.00 57.16 56.83 1sqi n GLU 179 Cb 0.48 -1.35 -0.05 0.00 -0.57 0.00 0.00 31.44 29.95 1sqi n GLU 179 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1sqi s ILE 180 N -2.44 0.00 -0.09 -3.67 2.07 -1.20 0.56 121.20 116.43 1sqi s ILE 180 Ca -0.33 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.61 1sqi s ILE 180 Cb 0.13 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 1sqi s ILE 180 CO 0.42 0.00 1.27 -0.63 -1.91 0.00 0.00 174.94 174.09 1sqi s ILE 181 N -1.69 4.17 -0.19 2.00 1.01 -1.26 -0.36 121.20 124.88 1sqi s ILE 181 Ca -0.07 1.47 -0.21 0.00 0.00 0.00 0.00 60.65 61.84 1sqi s ILE 181 Cb -0.00 -3.95 -0.18 0.00 0.01 0.00 0.00 42.46 38.34 1sqi s ILE 181 CO 0.04 -0.06 0.26 -0.78 0.00 0.00 0.00 174.94 174.40 1sqi h ASP 182 N 7.90 0.00 -4.66 3.58 3.58 -1.38 -3.47 116.42 121.98 1sqi h ASP 182 Ca -0.32 -0.52 -0.08 0.00 0.42 0.00 0.00 57.03 56.53 1sqi h ASP 182 Cb 1.14 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.99 1sqi h ASP 182 CO 0.92 1.31 -0.02 -1.38 -2.88 0.00 0.00 179.24 177.19 1sqi s HIS 183 N -2.30 -0.51 -0.12 0.28 -3.43 -1.23 -4.29 115.29 103.69 1sqi s HIS 183 Ca -0.25 1.00 0.01 0.00 -0.80 0.00 0.00 55.06 55.01 1sqi s HIS 183 Cb 0.04 0.26 0.02 0.00 -1.43 0.00 0.00 32.58 31.47 1sqi s HIS 183 CO 0.55 -0.45 -0.12 0.42 -2.00 0.00 0.00 174.74 173.15 1sqi s ILE 184 N -0.76 1.31 -0.08 -5.38 1.01 -1.15 -0.82 121.20 115.33 1sqi s ILE 184 Ca -0.08 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1sqi s ILE 184 Cb -0.03 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 1sqi s ILE 184 CO 0.05 0.41 0.30 -0.69 0.00 0.00 0.00 174.94 175.02 1sqi s VAL 185 N 1.38 5.24 -0.24 2.92 1.01 -0.39 -3.65 120.40 126.67 1sqi s VAL 185 Ca 0.01 0.59 -0.00 0.00 0.00 0.00 0.00 61.98 62.57 1sqi s VAL 185 Cb -0.13 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1sqi s VAL 185 CO -0.06 0.53 -0.10 -0.83 0.00 0.00 0.00 175.10 174.64 1sqi s GLY 186 N -0.60 1.59 0.16 4.51 0.00 -0.41 -0.68 107.32 111.89 1sqi s GLY 186 Ca 0.19 -1.50 -0.28 0.00 0.00 0.00 0.00 44.72 43.14 1sqi s GLY 186 CO 0.08 0.50 0.88 -1.31 0.00 0.00 0.00 173.10 173.25 1sqi s ASN 187 N 1.27 7.48 0.24 1.64 0.02 0.76 -1.47 114.94 124.87 1sqi s ASN 187 Ca -0.01 1.76 0.11 0.00 -1.02 0.00 0.00 52.86 53.70 1sqi s ASN 187 Cb -0.17 -2.56 -0.05 0.00 0.02 0.00 0.00 41.25 38.50 1sqi s ASN 187 CO -0.06 0.09 -0.19 -1.10 0.02 0.00 0.00 177.10 175.85 1sqi s GLN 188 N -0.68 1.55 0.90 -0.60 -1.52 0.48 -1.67 119.66 118.12 1sqi s GLN 188 Ca 0.41 -1.66 -0.11 0.00 -1.95 0.00 0.00 55.36 52.05 1sqi s GLN 188 Cb -0.24 -1.62 0.12 0.00 -0.22 0.00 0.00 33.01 31.05 1sqi s GLN 188 CO 0.29 0.31 1.05 -2.30 -0.25 0.00 0.00 175.29 174.39 1sqi n PRO 189 N -0.33 -0.31 -1.45 2.91 -0.02 -1.26 -4.16 135.00 130.38 1sqi n PRO 189 Ca -0.08 -0.02 -0.56 0.00 -2.02 0.00 0.00 63.50 60.82 1sqi n PRO 189 Cb 0.59 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 1sqi n PRO 189 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sqi n ASP 190 N -3.63 0.60 -0.99 2.55 2.03 -1.26 -1.83 116.55 114.02 1sqi n ASP 190 Ca 0.12 1.04 -0.12 0.00 0.52 0.00 0.00 54.79 56.34 1sqi n ASP 190 Cb 0.52 -0.79 -0.04 0.00 -0.72 0.00 0.00 41.12 40.09 1sqi n ASP 190 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sqi n GLN 191 N 2.57 -0.85 -0.05 -0.67 6.02 -1.26 -4.85 117.38 118.29 1sqi n GLN 191 Ca 0.23 0.85 0.02 0.00 -0.01 0.00 0.00 57.00 58.09 1sqi n GLN 191 Cb 0.00 -4.88 0.04 0.00 1.02 0.00 0.00 30.24 26.42 1sqi n GLN 191 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1sqi n GLU 192 N -2.56 2.32 -0.05 -1.09 1.02 -0.76 -4.66 120.64 114.85 1sqi n GLU 192 Ca -0.12 -1.50 -0.13 0.00 -0.02 0.00 0.00 57.16 55.39 1sqi n GLU 192 Cb 0.43 -1.08 -0.07 0.00 -0.02 0.00 0.00 31.44 30.70 1sqi n GLU 192 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1sqi h MET 193 N 0.67 0.33 0.05 3.49 4.05 -1.85 -1.45 114.93 120.22 1sqi h MET 193 Ca 0.00 -0.15 0.02 0.00 -0.28 0.00 0.00 59.70 59.29 1sqi h MET 193 Cb 0.50 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 1sqi h MET 193 CO 0.00 0.66 -0.17 1.49 0.23 0.00 0.00 176.91 179.11 1sqi h GLU 194 N -0.01 -0.30 -0.12 0.39 4.81 -1.97 -1.84 114.58 115.55 1sqi h GLU 194 Ca 0.03 0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1sqi h GLU 194 Cb 0.56 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1sqi h GLU 194 CO 0.02 -0.20 -0.53 0.66 -0.73 0.00 0.00 179.01 178.23 1sqi h SER 195 N -0.31 0.37 -0.43 1.04 4.64 -1.86 0.33 113.55 117.33 1sqi h SER 195 Ca 0.04 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1sqi h SER 195 Cb 0.35 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1sqi h SER 195 CO -0.13 0.84 0.19 0.00 -0.87 0.00 0.00 176.83 176.85 1sqi h ALA 196 N 1.17 0.56 -0.06 5.18 0.00 -1.18 -2.22 119.26 122.72 1sqi h ALA 196 Ca 0.01 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 1sqi h ALA 196 Cb 1.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1sqi h ALA 196 CO 0.09 0.15 -0.82 0.66 0.00 0.00 0.00 179.25 179.33 1sqi h SER 197 N 0.56 0.58 -0.60 0.00 4.64 -1.15 -3.14 113.55 114.43 1sqi h SER 197 Ca 0.15 -0.41 0.04 0.00 -0.47 0.00 0.00 61.79 61.09 1sqi h SER 197 Cb 0.16 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1sqi h SER 197 CO -0.01 1.18 0.40 -0.33 -0.87 0.00 0.00 176.83 177.20 1sqi h GLU 198 N 0.31 0.68 -0.80 4.77 4.39 -0.31 -1.79 114.58 121.83 1sqi h GLU 198 Ca -0.05 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.80 1sqi h GLU 198 Cb 1.42 -0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 29.79 1sqi h GLU 198 CO 0.15 0.45 0.11 2.35 -1.16 0.00 0.00 179.01 180.90 1sqi h TRP 199 N 0.70 0.14 -0.17 4.33 7.01 -1.34 0.17 115.95 126.77 1sqi h TRP 199 Ca 0.24 0.05 -0.15 0.00 2.11 0.00 0.00 58.89 61.15 1sqi h TRP 199 Cb 0.10 0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1sqi h TRP 199 CO -0.00 -0.21 -0.47 1.88 -2.79 0.00 0.00 178.44 176.85 1sqi h TYR 200 N 0.16 0.81 0.34 2.65 -1.99 -1.45 -0.62 116.97 116.86 1sqi h TYR 200 Ca 0.46 -0.32 -0.01 0.00 2.00 0.00 0.00 58.73 60.87 1sqi h TYR 200 Cb 0.86 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 1sqi h TYR 200 CO -0.35 1.09 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.58 1sqi h LEU 201 N 0.29 -0.65 0.12 3.88 3.38 -1.05 -1.91 115.31 119.37 1sqi h LEU 201 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1sqi h LEU 201 Cb 1.09 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1sqi h LEU 201 CO 0.10 -0.38 -0.06 0.11 0.09 0.00 0.00 178.44 178.30 1sqi h LYS 202 N -0.59 -0.15 0.01 1.13 1.57 -1.09 -2.84 116.57 114.60 1sqi h LYS 202 Ca -0.03 0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1sqi h LYS 202 Cb 0.51 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1sqi h LYS 202 CO -0.00 0.31 -0.91 -0.91 -0.57 0.00 0.00 179.45 177.37 1sqi h ASN 203 N -0.90 0.34 -0.01 0.86 2.35 -1.20 -3.32 115.58 113.71 1sqi h ASN 203 Ca -0.02 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1sqi h ASN 203 Cb 0.53 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1sqi h ASN 203 CO 0.03 1.08 -0.20 0.18 -1.65 0.00 0.00 177.43 176.87 1sqi n LEU 204 N -3.68 1.04 -2.17 1.61 4.77 -0.87 -3.49 117.00 114.21 1sqi n LEU 204 Ca -0.05 -0.74 -0.13 0.00 -0.03 0.00 0.00 56.01 55.06 1sqi n LEU 204 Cb 0.82 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.95 1sqi n LEU 204 CO 0.49 0.21 0.11 0.00 -1.33 0.00 0.00 177.39 176.87 1sqi n GLN 205 N -0.38 -4.17 -2.03 3.23 6.02 -0.79 -4.99 117.38 114.27 1sqi n GLN 205 Ca 0.03 0.48 -0.28 0.00 -0.01 0.00 0.00 57.00 57.22 1sqi n GLN 205 Cb 0.17 -4.46 0.07 0.00 1.02 0.00 0.00 30.24 27.04 1sqi n GLN 205 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1sqi s PHE 206 N -3.12 3.09 0.23 1.08 0.40 -0.80 -4.42 117.98 114.44 1sqi s PHE 206 Ca 0.30 0.75 0.04 0.00 -0.60 0.00 0.00 56.93 57.41 1sqi s PHE 206 Cb -0.13 -3.21 -0.05 0.00 0.51 0.00 0.00 43.02 40.14 1sqi s PHE 206 CO 0.37 -1.40 -0.00 -3.38 0.70 0.00 0.00 175.22 171.51 1sqi s HIS 207 N -3.36 1.58 -0.45 0.36 -3.43 -0.07 -4.28 115.29 105.64 1sqi s HIS 207 Ca 0.59 -0.92 -0.28 0.00 -0.80 0.00 0.00 55.06 53.66 1sqi s HIS 207 Cb -0.11 -0.92 -0.01 0.00 -1.43 0.00 0.00 32.58 30.12 1sqi s HIS 207 CO 0.48 -0.03 1.70 0.50 -2.00 0.00 0.00 174.74 175.39 1sqi s ARG 208 N -3.86 3.19 -0.52 -0.38 3.52 -1.26 -0.65 118.95 118.98 1sqi s ARG 208 Ca 0.29 1.01 -0.21 0.00 -0.13 0.00 0.00 55.73 56.68 1sqi s ARG 208 Cb 0.06 -4.21 0.05 0.00 -1.56 0.00 0.00 34.95 29.29 1sqi s ARG 208 CO 0.09 -2.05 0.77 0.12 -0.81 0.00 0.00 175.30 173.43 1sqi s PHE 209 N 7.11 2.93 0.00 5.12 5.36 0.12 -4.89 117.98 133.73 1sqi s PHE 209 Ca 0.70 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.39 1sqi s PHE 209 Cb -0.17 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 1sqi s PHE 209 CO 0.29 -1.18 0.00 -2.67 -1.46 0.00 0.00 175.22 170.20 1sqi n TRP 210 N 6.77 0.00 -1.45 10.12 4.27 -1.26 -4.46 117.44 131.42 1sqi n TRP 210 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1sqi n TRP 210 Cb 0.46 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.41 1sqi n TRP 210 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 1sqi n LEU 224 N 0.00 0.00 -4.14 5.67 7.94 -1.26 -5.17 117.00 120.04 1sqi n LEU 224 Ca 0.00 0.97 -0.26 0.00 -1.11 0.00 0.00 56.01 55.61 1sqi n LEU 224 Cb 0.00 -1.45 -0.16 0.00 0.53 0.00 0.00 43.42 42.34 1sqi n LEU 224 CO 0.00 -0.10 -0.50 -0.60 -1.11 0.00 0.00 177.39 175.07 1sqi s ARG 225 N -0.76 1.75 0.04 1.96 3.52 -0.07 -4.67 118.95 120.72 1sqi s ARG 225 Ca 0.00 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 1sqi s ARG 225 Cb 0.00 -1.54 -0.02 0.00 -1.56 0.00 0.00 34.95 31.83 1sqi s ARG 225 CO 0.00 0.26 -0.09 0.45 -0.81 0.00 0.00 175.30 175.12 1sqi s SER 226 N -0.02 0.98 -0.05 -2.12 0.15 -1.26 -0.99 113.70 110.39 1sqi s SER 226 Ca -0.02 -0.52 -0.02 0.00 0.70 0.00 0.00 55.95 56.08 1sqi s SER 226 Cb -0.11 0.01 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1sqi s SER 226 CO 0.02 -0.16 0.09 -0.51 1.20 0.00 0.00 173.24 173.88 1sqi s ILE 227 N -1.26 -0.08 -0.24 6.45 -1.16 0.09 -4.97 121.20 120.02 1sqi s ILE 227 Ca -0.08 0.24 -0.10 0.00 -0.51 0.00 0.00 60.65 60.21 1sqi s ILE 227 Cb -0.09 -0.17 -0.05 0.00 0.61 0.00 0.00 42.46 42.76 1sqi s ILE 227 CO 0.01 0.10 0.14 -0.69 -2.81 0.00 0.00 174.94 171.69 1sqi s VAL 228 N 1.36 5.13 0.09 4.00 1.01 -1.26 0.66 120.40 131.38 1sqi s VAL 228 Ca -0.06 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1sqi s VAL 228 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1sqi s VAL 228 CO -0.04 0.34 0.11 0.68 0.00 0.00 0.00 175.10 176.19 1sqi s VAL 229 N 1.17 4.69 -0.05 2.92 -7.23 -1.03 0.11 120.40 120.97 1sqi s VAL 229 Ca 0.07 -0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 59.38 1sqi s VAL 229 Cb -0.14 -3.29 0.02 0.00 0.56 0.00 0.00 36.38 33.53 1sqi s VAL 229 CO 0.05 0.09 0.27 0.00 -0.31 0.00 0.00 175.10 175.20 1sqi s ALA 230 N -1.46 -0.66 1.09 1.32 0.00 0.18 -0.90 121.76 121.32 1sqi s ALA 230 Ca 0.31 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1sqi s ALA 230 Cb -0.12 -0.16 0.24 0.00 0.00 0.00 0.00 23.12 23.08 1sqi s ALA 230 CO 0.23 -0.19 1.06 0.54 0.00 0.00 0.00 175.76 177.40 1sqi s ASN 231 N -0.67 1.64 0.18 0.00 4.22 -1.08 -0.89 114.94 118.34 1sqi s ASN 231 Ca -0.08 1.58 -0.16 0.00 -2.14 0.00 0.00 52.86 52.06 1sqi s ASN 231 Cb -0.04 -2.28 0.13 0.00 1.28 0.00 0.00 41.25 40.34 1sqi s ASN 231 CO 0.02 -3.80 1.65 0.22 -2.04 0.00 0.00 177.10 173.15 1sqi h TYR 232 N -2.35 -0.28 -0.00 1.54 3.20 -1.94 0.31 116.97 117.46 1sqi h TYR 232 Ca -0.57 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1sqi h TYR 232 Cb 1.32 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.79 1sqi h TYR 232 CO 0.32 -0.21 -0.05 0.39 -1.64 0.00 0.00 178.16 176.96 1sqi n GLU 233 N -5.35 0.60 -2.18 1.82 4.71 -1.26 -4.92 120.64 114.06 1sqi n GLU 233 Ca 0.04 -0.11 -0.10 0.00 -0.01 0.00 0.00 57.16 56.97 1sqi n GLU 233 Cb 0.26 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.18 1sqi n GLU 233 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1sqi n GLU 234 N -1.10 -0.83 0.13 3.49 1.02 0.10 -4.89 120.64 118.56 1sqi n GLU 234 Ca 0.15 0.51 0.07 0.00 -0.02 0.00 0.00 57.16 57.87 1sqi n GLU 234 Cb 0.25 -4.58 0.03 0.00 -0.02 0.00 0.00 31.44 27.11 1sqi n GLU 234 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1sqi h SER 235 N 0.00 0.00 -3.35 1.62 4.64 -1.87 -3.44 113.55 111.16 1sqi h SER 235 Ca -0.25 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.42 1sqi h SER 235 Cb 1.17 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.98 1sqi h SER 235 CO 0.29 0.25 -0.74 -0.63 -0.87 0.00 0.00 176.83 175.13 1sqi s ILE 236 N -3.13 3.18 -0.11 0.95 1.01 -1.26 -4.78 121.20 117.06 1sqi s ILE 236 Ca 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1sqi s ILE 236 Cb 0.08 -2.43 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 1sqi s ILE 236 CO 0.75 0.45 -0.20 -0.54 0.00 0.00 0.00 174.94 175.40 1sqi s LYS 237 N 1.36 3.17 -0.41 2.79 3.01 -1.26 -2.64 119.74 125.76 1sqi s LYS 237 Ca 0.04 -0.81 0.01 0.00 -1.01 0.00 0.00 55.97 54.21 1sqi s LYS 237 Cb -0.14 -2.43 0.14 0.00 -1.01 0.00 0.00 37.83 34.39 1sqi s LYS 237 CO -0.04 0.18 0.24 -1.64 0.51 0.00 0.00 175.35 174.60 1sqi s MET 238 N 0.37 1.00 0.36 1.68 -1.94 -0.08 -2.94 119.30 117.75 1sqi s MET 238 Ca -0.15 -1.76 -0.28 0.00 -1.71 0.00 0.00 55.69 51.78 1sqi s MET 238 Cb -0.17 -1.91 -0.11 0.00 2.01 0.00 0.00 34.83 34.65 1sqi s MET 238 CO 0.07 -1.19 1.49 -2.14 -0.01 0.00 0.00 175.02 173.24 1sqi s PRO 239 N 0.60 4.13 -0.13 2.03 0.02 -1.24 -2.46 135.00 137.94 1sqi s PRO 239 Ca 0.19 2.55 0.02 0.00 0.02 0.00 0.00 61.00 63.77 1sqi s PRO 239 Cb -0.22 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.33 1sqi s PRO 239 CO -0.01 -0.52 -0.17 0.42 -0.33 0.00 0.00 177.00 176.39 1sqi s ILE 240 N -1.00 1.70 0.14 2.83 -1.09 0.21 -1.29 121.20 122.71 1sqi s ILE 240 Ca 0.54 -0.75 0.08 0.00 -2.23 0.00 0.00 60.65 58.29 1sqi s ILE 240 Cb -0.46 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 1sqi s ILE 240 CO 0.61 0.48 -0.11 0.20 -1.23 0.00 0.00 174.94 174.89 1sqi s ASN 241 N 1.08 4.27 0.14 3.58 0.01 -0.54 -0.73 114.94 122.75 1sqi s ASN 241 Ca -0.03 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 51.66 1sqi s ASN 241 Cb -0.14 -0.75 -0.04 0.00 0.41 0.00 0.00 41.25 40.73 1sqi s ASN 241 CO -0.05 0.14 -0.10 -1.83 -1.51 0.00 0.00 177.10 173.75 1sqi s GLU 242 N -2.51 1.05 0.77 -0.60 -1.05 -0.16 -0.39 118.70 115.82 1sqi s GLU 242 Ca 0.23 -1.43 -0.15 0.00 -0.15 0.00 0.00 54.97 53.47 1sqi s GLU 242 Cb -0.10 -0.65 0.05 0.00 -0.44 0.00 0.00 34.13 32.99 1sqi s GLU 242 CO 0.14 0.08 1.12 -2.30 0.95 0.00 0.00 175.26 175.25 1sqi n PRO 243 N -0.12 0.36 -0.00 -4.83 -0.02 -1.26 -0.89 135.00 128.23 1sqi n PRO 243 Ca -0.11 0.19 -0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1sqi n PRO 243 Cb 0.60 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1sqi n PRO 243 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sqi n ALA 244 N -2.94 1.99 0.00 3.55 0.00 -1.26 -4.43 120.51 117.42 1sqi n ALA 244 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1sqi n ALA 244 Cb 0.50 0.15 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1sqi n ALA 244 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sqi n SER 250 N -1.91 0.00 -0.19 0.00 2.88 -1.26 -4.81 113.62 108.33 1sqi n SER 250 Ca -0.02 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.49 1sqi n SER 250 Cb 0.40 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.93 1sqi n SER 250 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1sqi h GLN 251 N 0.00 0.53 -0.33 -1.46 4.20 -2.00 -2.24 115.11 113.82 1sqi h GLN 251 Ca 0.00 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.70 1sqi h GLN 251 Cb 0.00 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1sqi h GLN 251 CO 0.00 0.35 0.15 0.82 -0.67 0.00 0.00 178.83 179.48 1sqi h ILE 252 N 0.55 0.97 -0.58 2.54 1.08 -1.97 -0.69 117.51 119.41 1sqi h ILE 252 Ca 0.25 -0.11 -0.08 0.00 -0.39 0.00 0.00 64.86 64.54 1sqi h ILE 252 Cb 0.17 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1sqi h ILE 252 CO -0.18 0.06 0.07 -0.61 -0.69 0.00 0.00 178.15 176.80 1sqi h GLN 253 N 0.32 0.98 -0.31 2.37 5.75 -1.86 -0.68 115.11 121.69 1sqi h GLN 253 Ca 0.14 -0.28 0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1sqi h GLN 253 Cb 0.07 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 1sqi h GLN 253 CO -0.11 0.95 -0.05 1.49 -2.65 0.00 0.00 178.83 178.46 1sqi h GLU 254 N 0.88 0.03 -0.40 1.69 4.81 -1.20 0.21 114.58 120.61 1sqi h GLU 254 Ca 0.17 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1sqi h GLU 254 Cb 0.46 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 1sqi h GLU 254 CO 0.02 0.02 -0.51 -0.92 -0.73 0.00 0.00 179.01 176.89 1sqi h TYR 255 N 0.03 -1.52 -0.42 0.92 3.20 -0.52 -1.30 116.97 117.37 1sqi h TYR 255 Ca 0.15 0.08 0.06 0.00 3.14 0.00 0.00 58.73 62.16 1sqi h TYR 255 Cb 0.22 0.72 -0.06 0.00 1.54 0.00 0.00 36.73 39.15 1sqi h TYR 255 CO -0.27 -0.48 0.10 0.28 -1.64 0.00 0.00 178.16 176.15 1sqi h VAL 256 N -0.38 0.79 -0.30 1.81 2.07 -0.60 0.64 116.25 120.29 1sqi h VAL 256 Ca 0.10 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.61 1sqi h VAL 256 Cb 0.60 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1sqi h VAL 256 CO -0.58 0.04 -0.17 0.44 0.02 0.00 0.00 177.57 177.32 1sqi h ASP 257 N 0.23 -0.55 1.46 0.57 3.32 -0.21 0.98 116.42 122.21 1sqi h ASP 257 Ca 0.20 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.30 1sqi h ASP 257 Cb 0.24 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1sqi h ASP 257 CO -0.26 -0.20 -0.38 1.88 -1.72 0.00 0.00 179.24 178.56 1sqi h TYR 258 N -0.13 0.00 0.00 4.55 -1.99 -0.73 -3.05 116.97 115.61 1sqi h TYR 258 Ca 0.16 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 1sqi h TYR 258 Cb 0.37 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 1sqi h TYR 258 CO -0.36 0.38 -0.67 -0.97 -0.00 0.00 0.00 178.16 176.54 1sqi h ASN 259 N 0.00 0.00 -3.21 3.88 -0.00 0.56 -3.46 115.58 113.35 1sqi h ASN 259 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 56.30 56.09 1sqi h ASN 259 Cb 1.21 0.00 0.06 0.00 -0.00 0.00 0.00 38.32 39.59 1sqi h ASN 259 CO 0.05 0.01 -0.34 0.61 -0.00 0.00 0.00 177.43 177.76 1sqi n GLY 260 N 1.16 0.16 0.00 1.57 0.00 0.33 -4.35 105.19 104.05 1sqi n GLY 260 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1sqi n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqi n GLY 261 N -1.24 0.78 3.79 -0.02 0.00 -0.75 -5.03 105.19 102.73 1sqi n GLY 261 Ca -0.01 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 1sqi n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqi s ALA 262 N -1.27 2.76 0.00 4.61 0.00 -1.26 -4.49 121.76 122.11 1sqi s ALA 262 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1sqi s ALA 262 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1sqi s ALA 262 CO 0.00 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.50 1sqi n GLY 263 N -0.53 -1.35 3.67 0.00 0.00 -0.67 -4.38 105.19 101.94 1sqi n GLY 263 Ca 0.09 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1sqi n GLY 263 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqi s VAL 264 N -2.55 3.76 -0.16 1.61 1.01 -1.26 -0.17 120.40 122.64 1sqi s VAL 264 Ca 0.00 1.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.85 1sqi s VAL 264 Cb 0.00 -3.67 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 1sqi s VAL 264 CO 0.00 -0.05 0.18 -0.61 0.00 0.00 0.00 175.10 174.62 1sqi h GLN 265 N 8.47 0.00 -3.79 2.72 4.15 -1.23 -3.41 115.11 122.02 1sqi h GLN 265 Ca -0.36 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 58.93 1sqi h GLN 265 Cb 1.16 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 28.67 1sqi h GLN 265 CO 0.93 0.60 -0.54 -3.38 -1.93 0.00 0.00 178.83 174.51 1sqi s HIS 266 N -2.20 0.19 -0.16 3.99 -3.43 -1.25 -1.67 115.29 110.76 1sqi s HIS 266 Ca -0.20 -0.47 -0.02 0.00 -0.80 0.00 0.00 55.06 53.57 1sqi s HIS 266 Cb 0.03 -0.14 -0.02 0.00 -1.43 0.00 0.00 32.58 31.02 1sqi s HIS 266 CO 0.43 -0.34 -0.08 0.42 -2.00 0.00 0.00 174.74 173.18 1sqi s ILE 267 N -2.36 3.43 -0.25 -5.38 1.01 -1.08 -1.27 121.20 115.30 1sqi s ILE 267 Ca -0.07 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 1sqi s ILE 267 Cb -0.03 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1sqi s ILE 267 CO -0.03 0.49 0.14 0.00 0.00 0.00 0.00 174.94 175.53 1sqi s ALA 268 N 0.65 3.45 -0.14 9.38 0.00 0.00 -0.43 121.76 134.66 1sqi s ALA 268 Ca -0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1sqi s ALA 268 Cb -0.15 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1sqi s ALA 268 CO 0.02 -0.36 -0.07 -0.51 0.00 0.00 0.00 175.76 174.84 1sqi s LEU 269 N 1.39 3.07 -0.09 0.00 1.43 0.14 -0.92 118.68 123.70 1sqi s LEU 269 Ca 0.06 -0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 52.89 1sqi s LEU 269 Cb -0.15 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1sqi s LEU 269 CO 0.06 0.17 0.20 -0.60 0.23 0.00 0.00 176.35 176.42 1sqi s ARG 270 N 0.32 3.55 0.16 1.70 3.52 0.51 -1.73 118.95 126.99 1sqi s ARG 270 Ca -0.06 -0.01 0.10 0.00 -0.13 0.00 0.00 55.73 55.63 1sqi s ARG 270 Cb -0.15 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 1sqi s ARG 270 CO 0.04 0.76 -0.22 -0.08 -0.81 0.00 0.00 175.30 174.98 1sqi s THR 271 N -1.04 2.09 -2.03 4.11 -1.32 -0.91 0.75 115.64 117.28 1sqi s THR 271 Ca 0.17 -1.88 0.26 0.00 -1.21 0.00 0.00 61.69 59.03 1sqi s THR 271 Cb -0.13 -1.94 0.31 0.00 -1.51 0.00 0.00 72.50 69.23 1sqi s THR 271 CO 0.06 -0.13 1.55 -0.62 -2.21 0.00 0.00 174.62 173.27 1sqi n GLU 272 N 0.51 1.16 -3.32 7.08 -0.58 -1.26 -4.42 120.64 119.81 1sqi n GLU 272 Ca -0.15 -0.74 -0.11 0.00 -0.42 0.00 0.00 57.16 55.75 1sqi n GLU 272 Cb 0.55 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.88 1sqi n GLU 272 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1sqi s ASP 273 N -2.35 0.51 0.14 1.62 2.15 -1.26 -5.04 116.67 112.44 1sqi s ASP 273 Ca 0.27 -0.78 0.07 0.00 0.43 0.00 0.00 52.55 52.54 1sqi s ASP 273 Cb 0.20 1.00 -0.13 0.00 -0.30 0.00 0.00 42.92 43.68 1sqi s ASP 273 CO 0.47 -0.31 1.32 -0.29 -0.17 0.00 0.00 175.17 176.19 1sqi h ILE 274 N 5.76 1.67 0.19 4.11 2.10 -1.95 -1.80 117.51 127.59 1sqi h ILE 274 Ca -0.04 -3.22 0.01 0.00 1.08 0.00 0.00 64.86 62.68 1sqi h ILE 274 Cb 1.10 2.75 -0.02 0.00 -1.09 0.00 0.00 36.82 39.57 1sqi h ILE 274 CO 0.24 0.92 -0.21 0.40 -1.08 0.00 0.00 178.15 178.41 1sqi h ILE 275 N 0.01 0.53 -0.64 2.19 2.04 -1.99 0.11 117.51 119.76 1sqi h ILE 275 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1sqi h ILE 275 Cb 1.68 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1sqi h ILE 275 CO 0.13 0.00 0.20 0.74 0.00 0.00 0.00 178.15 179.21 1sqi h THR 276 N -0.45 1.25 -0.17 -0.27 2.02 -1.97 -1.12 112.91 112.20 1sqi h THR 276 Ca 0.01 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.35 1sqi h THR 276 Cb 0.43 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1sqi h THR 276 CO -0.07 0.33 0.05 0.74 0.37 0.00 0.00 175.52 176.94 1sqi h THR 277 N 0.93 0.94 -0.07 3.16 2.02 -1.14 -1.43 112.91 117.32 1sqi h THR 277 Ca 0.21 -0.04 -0.20 0.00 0.77 0.00 0.00 66.41 67.14 1sqi h THR 277 Cb 0.30 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1sqi h THR 277 CO -0.01 0.02 -0.79 0.40 0.37 0.00 0.00 175.52 175.52 1sqi h ILE 278 N 0.12 1.37 -0.68 3.11 1.08 -0.68 -0.12 117.51 121.71 1sqi h ILE 278 Ca 0.08 -2.18 0.04 0.00 -0.39 0.00 0.00 64.86 62.40 1sqi h ILE 278 Cb 0.06 2.16 -0.05 0.00 -3.07 0.00 0.00 36.82 35.93 1sqi h ILE 278 CO -0.09 0.66 0.41 0.03 -0.69 0.00 0.00 178.15 178.47 1sqi h ARG 279 N 0.31 0.77 -0.01 2.37 3.08 -1.15 0.19 114.38 119.95 1sqi h ARG 279 Ca -0.05 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 59.74 1sqi h ARG 279 Cb 1.39 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1sqi h ARG 279 CO 0.14 0.51 -0.92 0.45 -1.07 0.00 0.00 179.97 179.08 1sqi h HIS 280 N 0.79 0.60 -0.53 3.04 3.86 -1.10 -1.01 115.15 120.81 1sqi h HIS 280 Ca 0.28 -0.32 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1sqi h HIS 280 Cb 0.07 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1sqi h HIS 280 CO -0.05 1.14 0.20 -0.07 0.86 0.00 0.00 177.93 180.00 1sqi h LEU 281 N 0.23 0.74 -0.77 2.43 3.38 -0.92 -2.07 115.31 118.33 1sqi h LEU 281 Ca -0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1sqi h LEU 281 Cb 1.55 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 1sqi h LEU 281 CO 0.16 0.72 0.28 0.03 0.09 0.00 0.00 178.44 179.72 1sqi h ARG 282 N 0.72 1.17 -0.34 1.13 3.08 -0.92 -1.79 114.38 117.44 1sqi h ARG 282 Ca 0.17 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1sqi h ARG 282 Cb 0.22 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1sqi h ARG 282 CO -0.01 0.97 0.18 0.93 -1.07 0.00 0.00 179.97 180.97 1sqi h GLU 283 N 1.13 0.46 0.00 0.04 5.08 -1.03 -1.68 114.58 118.59 1sqi h GLU 283 Ca 0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1sqi h GLU 283 Cb 0.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1sqi h GLU 283 CO -0.02 0.34 0.00 0.54 -1.00 0.00 0.00 179.01 178.87 1sqi n ARG 284 N -4.45 0.18 0.00 2.33 1.74 -0.79 -4.93 116.66 110.75 1sqi n ARG 284 Ca 0.02 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1sqi n ARG 284 Cb 0.10 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1sqi n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqi n GLY 285 N 1.01 0.94 3.76 -0.13 0.00 -0.63 -4.71 105.19 105.43 1sqi n GLY 285 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1sqi n GLY 285 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sqi s MET 286 N -0.42 4.34 -0.01 1.61 0.00 -0.74 -4.99 119.30 119.09 1sqi s MET 286 Ca 0.00 2.22 0.01 0.00 0.00 0.00 0.00 55.69 57.92 1sqi s MET 286 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 34.83 31.71 1sqi s MET 286 CO 0.00 -0.23 -0.01 -1.21 0.00 0.00 0.00 175.02 173.58 1sqi s GLU 287 N -1.50 2.79 0.42 4.11 2.02 -1.26 -4.44 118.70 120.84 1sqi s GLU 287 Ca 0.51 -0.59 0.07 0.00 0.02 0.00 0.00 54.97 54.98 1sqi s GLU 287 Cb -0.40 -2.67 -0.06 0.00 0.10 0.00 0.00 34.13 31.10 1sqi s GLU 287 CO 0.51 0.63 0.09 -0.06 0.02 0.00 0.00 175.26 176.45 1sqi s PHE 288 N -1.04 2.51 0.68 1.61 0.40 -1.26 -0.94 117.98 119.93 1sqi s PHE 288 Ca 0.18 -0.65 -0.14 0.00 -0.60 0.00 0.00 56.93 55.72 1sqi s PHE 288 Cb -0.11 -1.85 0.01 0.00 0.51 0.00 0.00 43.02 41.58 1sqi s PHE 288 CO 0.09 0.32 1.10 -0.51 0.70 0.00 0.00 175.22 176.91 1sqi s LEU 289 N -3.81 3.30 0.20 -0.37 1.43 -0.53 -4.63 118.68 114.28 1sqi s LEU 289 Ca 0.36 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 1sqi s LEU 289 Cb 0.07 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.67 1sqi s LEU 289 CO 0.19 -1.67 0.92 0.00 0.23 0.00 0.00 176.35 176.03 1sqi s ALA 290 N -2.52 3.33 -0.11 4.21 0.00 -1.26 -4.98 121.76 120.42 1sqi s ALA 290 Ca 0.65 0.58 0.02 0.00 0.00 0.00 0.00 51.96 53.21 1sqi s ALA 290 Cb -0.19 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.74 1sqi s ALA 290 CO 0.45 0.16 -0.19 0.08 0.00 0.00 0.00 175.76 176.26 1sqi s VAL 291 N -0.86 1.73 0.43 0.00 1.01 -1.26 -5.13 120.40 116.32 1sqi s VAL 291 Ca 0.42 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 1sqi s VAL 291 Cb -0.25 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 1sqi s VAL 291 CO 0.31 0.49 1.17 -2.16 0.00 0.00 0.00 175.10 174.90 1sqi s PRO 292 N 0.77 3.89 0.59 2.72 0.04 -1.26 -4.93 135.00 136.82 1sqi s PRO 292 Ca -0.10 1.81 0.36 0.00 0.04 0.00 0.00 61.00 63.11 1sqi s PRO 292 Cb -0.16 -2.53 1.81 0.00 0.04 0.00 0.00 34.50 33.66 1sqi s PRO 292 CO 0.01 -0.45 2.16 0.66 0.04 0.00 0.00 177.00 179.42 1sqi h SER 293 N 2.31 0.00 0.16 6.66 4.64 -2.00 -0.65 113.55 124.67 1sqi h SER 293 Ca -0.49 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1sqi h SER 293 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1sqi h SER 293 CO 0.61 0.03 -0.12 0.77 -0.87 0.00 0.00 176.83 177.26 1sqi h SER 294 N 0.00 0.00 -0.32 4.97 4.64 -1.99 -1.99 113.55 118.87 1sqi h SER 294 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1sqi h SER 294 Cb 0.26 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.27 1sqi h SER 294 CO 0.00 0.12 -0.23 0.22 -0.87 0.00 0.00 176.83 176.07 1sqi h TYR 295 N 0.00 -0.61 -0.69 4.77 3.20 -1.48 -0.17 116.97 121.99 1sqi h TYR 295 Ca -0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1sqi h TYR 295 Cb 0.23 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1sqi h TYR 295 CO 0.00 -0.31 0.23 1.88 -1.64 0.00 0.00 178.16 178.32 1sqi h TYR 296 N -0.20 1.09 -0.16 -3.82 -1.99 -1.60 0.98 116.97 111.28 1sqi h TYR 296 Ca 0.16 -0.10 0.03 0.00 2.00 0.00 0.00 58.73 60.82 1sqi h TYR 296 Cb 0.45 -0.32 -0.07 0.00 2.00 0.00 0.00 36.73 38.80 1sqi h TYR 296 CO -0.42 0.87 -0.53 -0.09 -0.00 0.00 0.00 178.16 177.99 1sqi h ARG 297 N 1.00 -0.54 -0.37 4.88 2.43 -0.87 0.32 114.38 121.23 1sqi h ARG 297 Ca 0.22 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1sqi h ARG 297 Cb 0.28 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1sqi h ARG 297 CO -0.01 -0.36 0.21 -0.07 -1.51 0.00 0.00 179.97 178.23 1sqi h LEU 298 N -0.56 0.34 -0.59 3.80 3.38 -0.89 -2.98 115.31 117.81 1sqi h LEU 298 Ca 0.04 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1sqi h LEU 298 Cb 0.67 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1sqi h LEU 298 CO -0.45 0.25 0.29 0.25 0.09 0.00 0.00 178.44 178.87 1sqi h LEU 299 N 0.43 0.40 -0.36 1.67 5.85 -0.29 -0.28 115.31 122.74 1sqi h LEU 299 Ca 0.15 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1sqi h LEU 299 Cb 0.01 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1sqi h LEU 299 CO -0.07 0.26 0.22 0.03 -0.34 0.00 0.00 178.44 178.53 1sqi h ARG 300 N 0.54 0.43 -0.12 1.25 3.08 -0.80 -1.76 114.38 117.00 1sqi h ARG 300 Ca 0.28 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 60.12 1sqi h ARG 300 Cb 0.23 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1sqi h ARG 300 CO -0.21 0.29 -0.67 1.05 -1.07 0.00 0.00 179.97 179.36 1sqi h GLU 301 N 0.44 0.47 -0.72 0.04 4.11 -1.35 -2.95 114.58 114.62 1sqi h GLU 301 Ca 0.14 -0.35 0.05 0.00 0.07 0.00 0.00 59.36 59.27 1sqi h GLU 301 Cb -0.02 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1sqi h GLU 301 CO -0.05 0.97 0.44 -0.91 0.07 0.00 0.00 179.01 179.52 1sqi h ASN 302 N 0.33 0.69 0.12 3.06 2.35 -0.95 -3.12 115.58 118.05 1sqi h ASN 302 Ca -0.02 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1sqi h ASN 302 Cb 1.23 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1sqi h ASN 302 CO 0.12 0.46 -0.32 -0.07 -1.65 0.00 0.00 177.43 175.96 1sqi h LEU 303 N 0.82 0.31 -0.38 1.61 3.38 -1.15 -3.26 115.31 116.64 1sqi h LEU 303 Ca 0.31 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1sqi h LEU 303 Cb 0.11 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 1sqi h LEU 303 CO -0.15 0.62 -0.32 0.11 0.09 0.00 0.00 178.44 178.80 1sqi h LYS 304 N 0.27 -0.25 -3.23 1.13 1.57 -1.46 -2.88 116.57 111.73 1sqi h LYS 304 Ca 0.03 0.02 -0.72 0.00 -1.87 0.00 0.00 60.65 58.12 1sqi h LYS 304 Cb 0.70 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 1sqi h LYS 304 CO 0.05 -0.17 2.95 0.25 -0.57 0.00 0.00 179.45 181.97 1sqi n THR 305 N -5.41 4.38 -3.52 -0.16 -2.24 -1.23 -4.93 114.28 101.16 1sqi n THR 305 Ca 0.01 -3.50 -0.10 0.00 -2.27 0.00 0.00 64.05 58.19 1sqi n THR 305 Cb 0.33 -2.42 -0.03 0.00 -2.10 0.00 0.00 70.33 66.11 1sqi n THR 305 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1sqi s SER 306 N 1.66 -0.39 0.13 3.42 1.04 -1.09 -5.05 113.70 113.42 1sqi s SER 306 Ca 0.54 0.15 -0.22 0.00 0.48 0.00 0.00 55.95 56.90 1sqi s SER 306 Cb 0.16 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1sqi s SER 306 CO -0.06 -0.55 1.68 0.11 0.98 0.00 0.00 173.24 175.40 1sqi h LYS 307 N 2.21 -0.14 -6.80 4.02 1.57 -1.91 -3.43 116.57 112.08 1sqi h LYS 307 Ca -0.22 0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 58.06 1sqi h LYS 307 Cb 1.22 0.03 0.04 0.00 0.08 0.00 0.00 32.23 33.60 1sqi h LYS 307 CO 0.31 -0.10 0.58 0.96 -0.57 0.00 0.00 179.45 180.64 1sqi s ILE 308 N -6.16 3.14 -0.04 1.86 -5.25 -1.26 -5.07 121.20 108.42 1sqi s ILE 308 Ca -0.14 1.08 0.02 0.00 -0.99 0.00 0.00 60.65 60.62 1sqi s ILE 308 Cb 0.10 -3.69 0.02 0.00 2.95 0.00 0.00 42.46 41.84 1sqi s ILE 308 CO 0.68 0.23 -0.06 -1.10 -1.79 0.00 0.00 174.94 172.90 1sqi s GLN 309 N -1.23 0.95 0.01 0.37 -1.52 -1.26 -5.00 119.66 111.98 1sqi s GLN 309 Ca 0.49 -0.19 -0.30 0.00 -1.95 0.00 0.00 55.36 53.41 1sqi s GLN 309 Cb -0.36 -0.90 -0.06 0.00 -0.22 0.00 0.00 33.01 31.48 1sqi s GLN 309 CO 0.45 -0.02 1.41 0.08 -0.25 0.00 0.00 175.29 176.96 1sqi s VAL 310 N 0.68 3.67 0.16 1.09 1.01 -1.26 -4.92 120.40 120.83 1sqi s VAL 310 Ca -0.10 1.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 1sqi s VAL 310 Cb -0.13 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1sqi s VAL 310 CO 0.01 0.00 1.43 0.11 0.00 0.00 0.00 175.10 176.65 1sqi h LYS 311 N 7.83 0.56 -6.74 2.72 1.57 -2.03 -3.45 116.57 117.03 1sqi h LYS 311 Ca -0.38 -0.42 -0.52 0.00 -1.87 0.00 0.00 60.65 57.46 1sqi h LYS 311 Cb 1.18 0.07 0.03 0.00 0.08 0.00 0.00 32.23 33.59 1sqi h LYS 311 CO 0.90 1.04 0.58 -1.21 -0.57 0.00 0.00 179.45 180.19 1sqi s GLU 312 N -3.80 4.47 -0.07 3.15 8.01 -1.26 -4.92 118.70 124.28 1sqi s GLU 312 Ca -0.07 1.97 -0.35 0.00 0.01 0.00 0.00 54.97 56.53 1sqi s GLU 312 Cb 0.10 -3.19 -0.13 0.00 -4.31 0.00 0.00 34.13 26.61 1sqi s GLU 312 CO 0.86 -0.09 1.80 -1.71 0.01 0.00 0.00 175.26 176.13 1sqi n ASN 313 N 1.96 3.22 0.06 -0.19 2.85 -1.26 -4.87 115.26 117.02 1sqi n ASN 313 Ca 0.03 1.01 -0.04 0.00 -0.11 0.00 0.00 54.58 55.47 1sqi n ASN 313 Cb 0.44 -1.35 0.18 0.00 1.24 0.00 0.00 39.78 40.29 1sqi n ASN 313 CO 0.00 0.00 0.00 -0.03 -2.11 0.00 0.00 177.26 175.12 1sqi h MET 314 N 8.35 0.35 -0.84 1.20 1.85 -1.91 -1.97 114.93 121.96 1sqi h MET 314 Ca -0.48 -0.17 -0.01 0.00 -0.61 0.00 0.00 59.70 58.43 1sqi h MET 314 Cb 1.28 -0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.27 1sqi h MET 314 CO 0.94 0.71 0.47 0.22 -0.40 0.00 0.00 176.91 178.84 1sqi h ASP 315 N 0.30 1.04 0.46 1.39 3.58 -2.00 -1.66 116.42 119.53 1sqi h ASP 315 Ca 0.03 -0.09 -0.23 0.00 0.42 0.00 0.00 57.03 57.15 1sqi h ASP 315 Cb 0.85 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1sqi h ASP 315 CO 0.07 0.83 -1.01 0.58 -2.88 0.00 0.00 179.24 176.83 1sqi h VAL 316 N 1.17 1.45 0.07 2.25 2.07 -1.91 -2.13 116.25 119.22 1sqi h VAL 316 Ca 0.30 -2.65 0.02 0.00 0.82 0.00 0.00 66.70 65.18 1sqi h VAL 316 Cb 0.01 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1sqi h VAL 316 CO -0.05 0.78 -0.16 -0.07 0.02 0.00 0.00 177.57 178.10 1sqi h LEU 317 N 0.16 -0.44 -0.44 2.57 3.38 -1.17 -1.03 115.31 118.35 1sqi h LEU 317 Ca -0.09 0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1sqi h LEU 317 Cb 1.67 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 1sqi h LEU 317 CO 0.17 -0.23 0.21 -0.08 0.09 0.00 0.00 178.44 178.61 1sqi h GLU 318 N -0.30 0.42 -0.67 1.13 4.81 -1.35 -0.27 114.58 118.35 1sqi h GLU 318 Ca 0.03 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1sqi h GLU 318 Cb 0.33 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.54 1sqi h GLU 318 CO -0.10 0.28 0.30 1.49 -0.73 0.00 0.00 179.01 180.25 1sqi h GLU 319 N 0.43 0.51 0.00 1.92 4.81 -1.13 -2.63 114.58 118.49 1sqi h GLU 319 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1sqi h GLU 319 Cb 0.11 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1sqi h GLU 319 CO -0.14 0.34 0.00 -0.07 -0.73 0.00 0.00 179.01 178.41 1sqi h LEU 320 N 0.53 0.00 -0.40 1.64 4.07 -0.72 -3.48 115.31 116.95 1sqi h LEU 320 Ca 0.33 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 58.15 1sqi h LEU 320 Cb 0.37 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.14 1sqi h LEU 320 CO -0.28 0.00 -0.23 0.29 -1.08 0.00 0.00 178.44 177.14 1sqi n LYS 321 N -2.33 -2.24 -3.24 1.13 4.76 -0.17 -5.03 118.16 111.03 1sqi n LYS 321 Ca 0.04 0.31 -0.39 0.00 -2.87 0.00 0.00 58.31 55.41 1sqi n LYS 321 Cb 0.37 -3.87 -0.06 0.00 -1.84 0.00 0.00 35.03 29.64 1sqi n LYS 321 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1sqi s ILE 322 N -2.91 4.86 0.14 -0.18 1.01 -0.83 -4.89 121.20 118.40 1sqi s ILE 322 Ca 0.15 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.91 1sqi s ILE 322 Cb -0.07 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1sqi s ILE 322 CO 0.19 0.46 0.48 -0.76 0.00 0.00 0.00 174.94 175.31 1sqi s LEU 323 N -0.48 4.30 -0.03 2.97 1.43 0.21 -4.71 118.68 122.38 1sqi s LEU 323 Ca 0.30 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.37 1sqi s LEU 323 Cb -0.18 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1sqi s LEU 323 CO 0.17 0.09 -0.23 -0.69 0.23 0.00 0.00 176.35 175.92 1sqi s VAL 324 N -1.52 1.86 -0.01 -1.59 1.01 -1.26 -1.38 120.40 117.52 1sqi s VAL 324 Ca 0.38 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1sqi s VAL 324 Cb -0.14 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.68 1sqi s VAL 324 CO 0.20 0.53 -0.03 -0.62 0.00 0.00 0.00 175.10 175.17 1sqi s ASP 325 N -0.37 0.42 0.01 3.32 -1.08 -0.95 -4.73 116.67 113.30 1sqi s ASP 325 Ca 0.04 -0.06 -0.00 0.00 -0.52 0.00 0.00 52.55 52.01 1sqi s ASP 325 Cb -0.11 -0.07 -0.01 0.00 -1.46 0.00 0.00 42.92 41.27 1sqi s ASP 325 CO 0.01 0.03 -0.01 -0.72 0.52 0.00 0.00 175.17 174.99 1sqi s TYR 326 N 0.06 0.18 0.00 -5.34 -0.85 -1.26 -0.61 117.35 109.52 1sqi s TYR 326 Ca -0.00 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 1sqi s TYR 326 Cb -0.03 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.18 1sqi s TYR 326 CO -0.00 -0.14 0.00 -0.40 -1.52 0.00 0.00 175.55 173.48 1sqi n ASP 327 N 1.99 0.00 -0.04 -0.18 5.68 0.54 -4.99 116.55 119.55 1sqi n ASP 327 Ca -0.21 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.20 1sqi n ASP 327 Cb 0.56 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.65 1sqi n ASP 327 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1sqi n GLU 328 N 0.00 0.11 -0.03 0.11 1.02 -1.26 -4.50 120.64 116.09 1sqi n GLU 328 Ca 0.00 -0.08 -0.07 0.00 -0.02 0.00 0.00 57.16 56.99 1sqi n GLU 328 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 1sqi n GLU 328 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1sqi n LYS 329 N -1.37 0.18 -3.93 3.49 3.00 -1.26 -4.70 118.16 113.58 1sqi n LYS 329 Ca 0.06 0.08 -0.25 0.00 -0.00 0.00 0.00 58.31 58.19 1sqi n LYS 329 Cb 0.34 -0.81 -0.03 0.00 0.00 0.00 0.00 35.03 34.53 1sqi n LYS 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sqi n GLY 330 N 2.59 3.24 3.25 3.14 0.00 -1.24 -4.76 105.19 111.41 1sqi n GLY 330 Ca -0.13 -2.32 -0.13 0.00 0.00 0.00 0.00 46.02 43.44 1sqi n GLY 330 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sqi s TYR 331 N -2.47 -0.27 0.12 1.61 -0.85 -0.39 -0.34 117.35 114.77 1sqi s TYR 331 Ca 0.13 0.54 0.00 0.00 -0.52 0.00 0.00 57.07 57.22 1sqi s TYR 331 Cb -0.01 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.41 1sqi s TYR 331 CO 0.08 -0.33 0.28 -0.51 -1.52 0.00 0.00 175.55 173.55 1sqi s LEU 332 N -0.81 4.32 -0.10 -3.49 1.43 0.22 0.45 118.68 120.70 1sqi s LEU 332 Ca -0.09 0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.33 1sqi s LEU 332 Cb -0.04 -3.02 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1sqi s LEU 332 CO 0.03 0.08 -0.18 -0.76 0.23 0.00 0.00 176.35 175.75 1sqi s LEU 333 N -2.90 2.46 0.06 1.79 1.43 0.17 -2.23 118.68 119.45 1sqi s LEU 333 Ca 0.36 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1sqi s LEU 333 Cb -0.12 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1sqi s LEU 333 CO 0.28 0.20 0.05 0.00 0.23 0.00 0.00 176.35 177.12 1sqi s GLN 334 N 0.10 0.67 -0.18 1.70 -2.07 -0.48 0.95 119.66 120.34 1sqi s GLN 334 Ca -0.08 -1.06 -0.27 0.00 -1.82 0.00 0.00 55.36 52.12 1sqi s GLN 334 Cb -0.15 0.25 0.07 0.00 -1.09 0.00 0.00 33.01 32.09 1sqi s GLN 334 CO 0.05 -0.16 0.71 -1.50 -1.32 0.00 0.00 175.29 173.08 1sqi s ILE 335 N -3.65 0.00 -0.15 3.63 2.07 -0.36 -0.62 121.20 122.13 1sqi s ILE 335 Ca 0.04 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1sqi s ILE 335 Cb 0.05 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.63 1sqi s ILE 335 CO -0.09 0.00 -0.12 -0.36 -1.91 0.00 0.00 174.94 172.46 1sqi s PHE 336 N -0.27 2.84 0.88 3.50 0.40 -1.26 -0.79 117.98 123.28 1sqi s PHE 336 Ca -0.04 -0.76 -0.11 0.00 -0.60 0.00 0.00 56.93 55.42 1sqi s PHE 336 Cb -0.03 -1.90 0.12 0.00 0.51 0.00 0.00 43.02 41.72 1sqi s PHE 336 CO 0.04 -0.31 1.10 0.95 0.70 0.00 0.00 175.22 177.70 1sqi s THR 337 N 0.63 2.73 0.87 0.64 -4.23 -0.58 -1.45 115.64 114.25 1sqi s THR 337 Ca -0.07 0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 1sqi s THR 337 Cb -0.15 -2.62 0.12 0.00 1.34 0.00 0.00 72.50 71.19 1sqi s THR 337 CO 0.03 -0.31 1.16 -0.54 -0.54 0.00 0.00 174.62 174.42 1sqi s LYS 338 N -4.84 1.33 0.56 3.99 3.01 -0.11 -4.56 119.74 119.11 1sqi s LYS 338 Ca 0.64 1.58 -0.18 0.00 -1.01 0.00 0.00 55.97 56.99 1sqi s LYS 338 Cb -0.19 -1.76 -0.09 0.00 -1.01 0.00 0.00 37.83 34.78 1sqi s LYS 338 CO 0.57 -2.41 0.52 -2.30 0.51 0.00 0.00 175.35 172.25 1sqi n PRO 339 N -3.88 0.51 0.00 -1.68 -0.02 -1.26 -4.57 135.00 124.11 1sqi n PRO 339 Ca 0.12 0.20 0.15 0.00 -2.02 0.00 0.00 63.50 61.95 1sqi n PRO 339 Cb 0.52 -1.69 0.76 0.00 -0.02 0.00 0.00 33.50 33.06 1sqi n PRO 339 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1sqi n MET 340 N -0.02 1.01 -3.96 -0.52 2.81 -0.52 -4.90 117.12 111.03 1sqi n MET 340 Ca 0.12 -0.26 -0.09 0.00 -1.81 0.00 0.00 57.70 55.66 1sqi n MET 340 Cb 0.47 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.44 1sqi n MET 340 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1sqi s GLN 341 N -2.17 1.63 0.10 0.03 0.00 -1.26 -5.07 119.66 112.92 1sqi s GLN 341 Ca 0.39 -1.19 -0.13 0.00 -0.00 0.00 0.00 55.36 54.43 1sqi s GLN 341 Cb 0.21 0.51 -0.14 0.00 0.00 0.00 0.00 33.01 33.60 1sqi s GLN 341 CO 0.40 -0.70 1.33 -0.44 0.00 0.00 0.00 175.29 175.87 1sqi h ASP 342 N 2.18 0.91 -3.36 12.60 5.19 -1.98 -3.43 116.42 128.52 1sqi h ASP 342 Ca -0.24 -0.59 -0.57 0.00 -0.62 0.00 0.00 57.03 55.00 1sqi h ASP 342 Cb 1.25 -0.27 0.13 0.00 0.18 0.00 0.00 39.33 40.63 1sqi h ASP 342 CO 0.32 1.34 0.32 0.54 -3.12 0.00 0.00 179.24 178.64 1sqi n ARG 343 N -4.02 1.56 -1.67 3.56 1.74 -1.26 -4.88 116.66 111.70 1sqi n ARG 343 Ca -0.06 0.56 -0.40 0.00 -0.77 0.00 0.00 57.85 57.17 1sqi n ARG 343 Cb 0.68 -2.22 -0.01 0.00 -1.02 0.00 0.00 32.46 29.88 1sqi n ARG 343 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1sqi n PRO 344 N -0.08 3.61 0.00 5.56 -0.04 -1.26 -4.61 135.00 138.18 1sqi n PRO 344 Ca 0.09 -2.69 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1sqi n PRO 344 Cb 0.40 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 1sqi n PRO 344 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sqi n THR 345 N 3.65 0.00 -2.71 0.52 -2.24 -1.26 -4.30 114.28 107.94 1sqi n THR 345 Ca 0.64 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 62.01 1sqi n THR 345 Cb 0.29 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1sqi n THR 345 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1sqi s LEU 346 N 0.00 4.54 0.27 3.22 2.96 -1.26 -4.83 118.68 123.58 1sqi s LEU 346 Ca 0.00 1.87 0.02 0.00 -0.22 0.00 0.00 54.13 55.81 1sqi s LEU 346 Cb 0.00 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1sqi s LEU 346 CO 0.00 -0.01 0.17 0.72 -1.32 0.00 0.00 176.35 175.90 1sqi s PHE 347 N -0.39 1.47 0.24 5.38 -0.12 -0.67 -1.44 117.98 122.45 1sqi s PHE 347 Ca 0.45 -1.41 0.11 0.00 -0.05 0.00 0.00 56.93 56.03 1sqi s PHE 347 Cb -0.25 -0.73 -0.05 0.00 -0.63 0.00 0.00 43.02 41.36 1sqi s PHE 347 CO 0.31 -0.61 -0.14 -0.51 -0.05 0.00 0.00 175.22 174.22 1sqi s LEU 348 N -3.30 2.78 -0.02 -1.99 1.43 -1.26 -2.63 118.68 113.69 1sqi s LEU 348 Ca 0.38 -0.83 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1sqi s LEU 348 Cb 0.05 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 1sqi s LEU 348 CO 0.17 0.06 -0.16 -0.70 0.23 0.00 0.00 176.35 175.95 1sqi s GLU 349 N -3.28 1.42 -0.20 1.70 2.12 0.43 -1.53 118.70 119.36 1sqi s GLU 349 Ca 0.28 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.99 1sqi s GLU 349 Cb -0.07 -1.32 -0.03 0.00 0.26 0.00 0.00 34.13 32.97 1sqi s GLU 349 CO 0.15 0.30 0.01 0.08 -0.54 0.00 0.00 175.26 175.27 1sqi s VAL 350 N -0.21 4.08 0.01 3.70 1.01 0.03 0.27 120.40 129.29 1sqi s VAL 350 Ca 0.02 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1sqi s VAL 350 Cb -0.08 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1sqi s VAL 350 CO 0.00 0.42 -0.14 -0.51 0.00 0.00 0.00 175.10 174.87 1sqi s ILE 351 N 1.00 1.11 -0.01 2.22 2.07 -0.70 -1.22 121.20 125.67 1sqi s ILE 351 Ca 0.02 -0.75 0.07 0.00 -1.41 0.00 0.00 60.65 58.58 1sqi s ILE 351 Cb -0.14 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.47 1sqi s ILE 351 CO 0.02 0.20 -0.21 -1.58 -1.91 0.00 0.00 174.94 171.46 1sqi s GLN 352 N -0.63 1.73 -0.12 3.50 0.74 0.27 -2.15 119.66 123.01 1sqi s GLN 352 Ca 0.04 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.68 1sqi s GLN 352 Cb -0.06 -1.68 -0.02 0.00 1.10 0.00 0.00 33.01 32.35 1sqi s GLN 352 CO 0.00 0.46 -0.13 1.03 -0.55 0.00 0.00 175.29 176.10 1sqi s ARG 353 N -0.52 3.24 -0.65 1.67 0.52 -1.26 0.43 118.95 122.37 1sqi s ARG 353 Ca 0.08 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.64 1sqi s ARG 353 Cb -0.08 -2.60 0.16 0.00 0.52 0.00 0.00 34.95 32.95 1sqi s ARG 353 CO -0.01 0.29 0.44 -1.01 0.02 0.00 0.00 175.30 175.03 1sqi s HIS 354 N 0.15 3.44 -1.51 -0.53 3.76 0.17 -4.81 115.29 115.96 1sqi s HIS 354 Ca -0.07 -3.14 -0.13 0.00 -0.15 0.00 0.00 55.06 51.58 1sqi s HIS 354 Cb -0.15 -2.90 0.08 0.00 1.11 0.00 0.00 32.58 30.72 1sqi s HIS 354 CO 0.05 -0.69 0.86 0.09 -0.85 0.00 0.00 174.74 174.19 1sqi n ASN 355 N 2.69 -4.64 -4.23 1.40 4.13 -1.26 -1.26 115.26 112.08 1sqi n ASN 355 Ca 0.12 -0.69 -0.15 0.00 1.68 0.00 0.00 54.58 55.54 1sqi n ASN 355 Cb 0.35 -3.73 -0.10 0.00 -1.54 0.00 0.00 39.78 34.75 1sqi n ASN 355 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1sqi s HIS 356 N -3.22 1.26 0.00 3.10 2.46 -1.26 -3.70 115.29 113.93 1sqi s HIS 356 Ca 0.60 -0.67 0.00 0.00 0.47 0.00 0.00 55.06 55.46 1sqi s HIS 356 Cb -0.31 -0.65 0.00 0.00 -0.13 0.00 0.00 32.58 31.49 1sqi s HIS 356 CO 0.74 0.09 0.00 1.04 -2.47 0.00 0.00 174.74 174.14 1sqi n GLN 357 N 0.18 2.61 -0.40 2.88 1.13 -1.26 -4.94 117.38 117.58 1sqi n GLN 357 Ca -0.13 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.81 1sqi n GLN 357 Cb 0.59 -0.20 0.11 0.00 0.11 0.00 0.00 30.24 30.85 1sqi n GLN 357 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sqi n GLY 358 N 0.38 -2.70 0.00 1.08 0.00 -1.26 -5.03 105.19 97.67 1sqi n GLY 358 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 1sqi n GLY 358 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sqi n PHE 359 N -3.54 0.00 0.00 1.61 3.01 -1.26 -4.95 117.46 112.32 1sqi n PHE 359 Ca 0.06 -0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1sqi n PHE 359 Cb 0.24 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1sqi n PHE 359 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sqi n GLY 360 N -0.19 1.19 0.06 1.37 0.00 -1.26 -5.04 105.19 101.32 1sqi n GLY 360 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1sqi n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqi n ALA 361 N -0.26 -0.09 -0.32 4.61 0.00 -1.26 -0.52 120.51 122.67 1sqi n ALA 361 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.51 1sqi n ALA 361 Cb 0.00 0.05 0.09 0.00 0.00 0.00 0.00 19.45 19.59 1sqi n ALA 361 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sqi h GLY 362 N 0.00 1.33 1.30 0.00 0.00 -1.95 -3.18 103.07 100.57 1sqi h GLY 362 Ca 0.02 -0.62 -0.17 0.00 0.00 0.00 0.00 47.33 46.56 1sqi h GLY 362 CO -0.13 0.60 -0.50 3.43 0.00 0.00 0.00 176.54 179.94 1sqi h ASN 363 N 1.24 0.81 -0.89 0.19 2.35 -1.03 0.23 115.58 118.47 1sqi h ASN 363 Ca 0.31 -0.41 0.17 0.00 -0.55 0.00 0.00 56.30 55.81 1sqi h ASN 363 Cb 0.06 -0.23 -0.17 0.00 0.05 0.00 0.00 38.32 38.03 1sqi h ASN 363 CO -0.05 1.17 -0.25 0.33 -1.65 0.00 0.00 177.43 176.99 1sqi n PHE 364 N -4.00 0.27 0.06 1.19 7.35 -0.36 -1.27 117.46 120.70 1sqi n PHE 364 Ca -0.03 1.09 -0.21 0.00 -0.76 0.00 0.00 57.45 57.54 1sqi n PHE 364 Cb 0.59 -0.99 -0.14 0.00 0.35 0.00 0.00 39.48 39.29 1sqi n PHE 364 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1sqi h ASN 365 N 0.00 0.56 0.00 -2.13 2.35 -1.56 -3.52 115.58 111.28 1sqi h ASN 365 Ca 0.41 -0.92 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 1sqi h ASN 365 Cb 0.63 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1sqi h ASN 365 CO -0.91 1.44 0.00 -1.20 -1.65 0.00 0.00 177.43 175.10