#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa3 s PRO 5 N 0.00 4.42 0.36 3.23 0.04 -1.26 -5.13 135.00 136.66 1xa3 s PRO 5 Ca 0.00 2.12 -0.17 0.00 0.04 0.00 0.00 61.00 62.99 1xa3 s PRO 5 Cb 0.00 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.34 1xa3 s PRO 5 CO 0.00 -0.11 0.81 -1.25 0.04 0.00 0.00 177.00 176.48 1xa3 s PRO 7 N -1.52 4.06 -0.33 0.56 0.04 -1.26 -5.17 135.00 131.37 1xa3 s PRO 7 Ca 0.49 0.80 -0.24 0.00 0.04 0.00 0.00 61.00 62.09 1xa3 s PRO 7 Cb -0.38 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1xa3 s PRO 7 CO 0.49 0.08 0.81 0.21 0.04 0.00 0.00 177.00 178.63 1xa3 s LYS 8 N -3.12 3.90 0.13 4.56 2.20 -1.26 -5.03 119.74 121.13 1xa3 s LYS 8 Ca 0.56 0.53 -0.25 0.00 -0.36 0.00 0.00 55.97 56.46 1xa3 s LYS 8 Cb -0.10 -3.76 0.07 0.00 -1.51 0.00 0.00 37.83 32.53 1xa3 s LYS 8 CO 0.17 -0.76 0.78 -0.59 -0.36 0.00 0.00 175.35 174.59 1xa3 s PHE 9 N 3.07 -0.34 0.05 4.03 -0.12 -1.26 -5.10 117.98 118.31 1xa3 s PHE 9 Ca 0.33 0.08 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 1xa3 s PHE 9 Cb -0.14 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 42.85 1xa3 s PHE 9 CO 0.14 -0.83 0.00 0.41 -0.05 0.00 0.00 175.22 174.90 1xa3 n GLY 10 N -0.37 -2.11 0.28 1.99 0.00 -1.24 -3.40 105.19 100.35 1xa3 n GLY 10 Ca -0.10 -1.45 0.18 0.00 0.00 0.00 0.00 46.02 44.65 1xa3 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xa3 h PRO 11 N -0.14 0.00 -0.47 1.61 0.13 -1.58 -3.13 132.00 128.43 1xa3 h PRO 11 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1xa3 h PRO 11 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 1xa3 h PRO 11 CO 0.01 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.06 1xa3 n LEU 12 N -3.07 4.16 -4.58 1.56 4.77 -0.42 -4.99 117.00 114.42 1xa3 n LEU 12 Ca 0.00 -2.53 -0.50 0.00 -0.03 0.00 0.00 56.01 52.95 1xa3 n LEU 12 Cb 0.27 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1xa3 n LEU 12 CO 0.26 0.75 0.78 0.00 -1.33 0.00 0.00 177.39 177.85 1xa3 n ALA 13 N 0.50 -0.79 0.00 -1.18 0.00 -1.18 -1.75 120.51 116.11 1xa3 n ALA 13 Ca 0.21 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1xa3 n ALA 13 Cb 0.80 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1xa3 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xa3 n GLY 14 N 2.19 2.51 3.75 0.00 0.00 -1.26 -4.96 105.19 107.42 1xa3 n GLY 14 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1xa3 n GLY 14 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xa3 s LEU 15 N 0.00 4.61 -0.27 0.99 2.96 -0.72 -4.92 118.68 121.33 1xa3 s LEU 15 Ca 0.00 2.09 -0.04 0.00 -0.22 0.00 0.00 54.13 55.96 1xa3 s LEU 15 Cb 0.00 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.10 1xa3 s LEU 15 CO 0.00 0.03 0.00 -0.13 -1.32 0.00 0.00 176.35 174.93 1xa3 s ARG 16 N -1.28 2.86 -0.06 1.98 1.81 -1.26 -1.09 118.95 121.90 1xa3 s ARG 16 Ca 0.43 -0.98 0.05 0.00 -1.72 0.00 0.00 55.73 53.51 1xa3 s ARG 16 Cb -0.29 -3.16 -0.01 0.00 -0.45 0.00 0.00 34.95 31.04 1xa3 s ARG 16 CO 0.36 -0.45 -0.23 0.08 -0.68 0.00 0.00 175.30 174.38 1xa3 s VAL 17 N 1.38 2.25 -0.03 3.52 1.01 0.02 -0.91 120.40 127.64 1xa3 s VAL 17 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1xa3 s VAL 17 Cb -0.17 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1xa3 s VAL 17 CO -0.01 0.57 -0.20 -0.69 0.00 0.00 0.00 175.10 174.77 1xa3 s VAL 18 N -0.22 1.57 0.03 2.92 1.01 -0.35 -1.12 120.40 124.24 1xa3 s VAL 18 Ca -0.01 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1xa3 s VAL 18 Cb -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1xa3 s VAL 18 CO 0.03 0.45 -0.13 0.72 0.00 0.00 0.00 175.10 176.17 1xa3 s PHE 19 N -0.32 1.13 -0.18 5.22 -0.12 -0.38 -1.27 117.98 122.06 1xa3 s PHE 19 Ca 0.04 -0.33 0.01 0.00 -0.05 0.00 0.00 56.93 56.60 1xa3 s PHE 19 Cb -0.09 -0.68 0.02 0.00 -0.63 0.00 0.00 43.02 41.64 1xa3 s PHE 19 CO 0.00 0.02 -0.19 0.45 -0.05 0.00 0.00 175.22 175.45 1xa3 s SER 20 N -1.02 3.14 0.00 1.98 0.15 -0.21 -1.43 113.70 116.30 1xa3 s SER 20 Ca 0.01 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1xa3 s SER 20 Cb -0.07 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1xa3 s SER 20 CO 0.01 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1xa3 n GLY 21 N 4.63 1.45 3.36 9.45 0.00 -1.26 -1.59 105.19 121.22 1xa3 n GLY 21 Ca -0.20 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 1xa3 n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xa3 s ILE 22 N -2.00 0.79 0.00 -0.61 -4.36 -1.26 -4.75 121.20 109.01 1xa3 s ILE 22 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1xa3 s ILE 22 Cb 0.00 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 41.04 1xa3 s ILE 22 CO 0.00 -0.02 0.00 -0.62 0.24 0.00 0.00 174.94 174.54 1xa3 n GLU 23 N -0.53 0.00 -0.06 0.37 -0.58 -1.26 -4.47 120.64 114.10 1xa3 n GLU 23 Ca -0.01 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.66 1xa3 n GLU 23 Cb 0.66 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.51 1xa3 n GLU 23 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1xa3 n ILE 24 N 0.00 1.19 0.26 -3.67 5.41 -1.26 -4.59 119.36 116.70 1xa3 n ILE 24 Ca 0.00 0.22 -0.17 0.00 1.00 0.00 0.00 62.75 63.80 1xa3 n ILE 24 Cb 0.00 -2.13 -0.08 0.00 -0.71 0.00 0.00 39.64 36.71 1xa3 n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xa3 h ALA 25 N -1.12 -0.92 -0.00 -1.39 0.00 -1.78 0.12 119.26 114.17 1xa3 h ALA 25 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xa3 h ALA 25 Cb 0.75 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xa3 h ALA 25 CO 0.00 -1.05 0.00 0.78 0.00 0.00 0.00 179.25 178.98 1xa3 h GLY 26 N -0.86 0.00 1.60 0.00 0.00 -1.89 -2.61 103.07 99.31 1xa3 h GLY 26 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1xa3 h GLY 26 CO -0.05 0.00 0.17 -2.55 0.00 0.00 0.00 176.54 174.11 1xa3 h PRO 27 N -0.19 0.52 -0.44 4.80 0.11 -1.80 -2.05 132.00 132.95 1xa3 h PRO 27 Ca 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1xa3 h PRO 27 Cb 0.20 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1xa3 h PRO 27 CO -0.00 0.41 0.25 0.35 -0.21 0.00 0.00 178.00 178.80 1xa3 h PHE 28 N 0.52 0.60 -0.49 0.65 3.57 -0.72 0.18 116.94 121.26 1xa3 h PHE 28 Ca 0.13 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1xa3 h PHE 28 Cb 0.07 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1xa3 h PHE 28 CO 0.00 0.45 0.27 0.00 -2.23 0.00 0.00 178.31 176.80 1xa3 h ALA 29 N 1.10 0.62 -0.20 2.41 0.00 -1.06 -3.12 119.26 119.01 1xa3 h ALA 29 Ca 0.16 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1xa3 h ALA 29 Cb 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xa3 h ALA 29 CO -0.03 -0.07 -0.64 0.78 0.00 0.00 0.00 179.25 179.30 1xa3 h GLY 30 N 0.52 0.87 -4.23 0.00 0.00 -1.03 -3.34 103.07 95.86 1xa3 h GLY 30 Ca 0.21 -1.13 -0.09 0.00 0.00 0.00 0.00 47.33 46.32 1xa3 h GLY 30 CO -0.12 1.01 -0.01 -0.18 0.00 0.00 0.00 176.54 177.24 1xa3 n GLN 31 N -4.02 1.03 0.00 4.80 0.00 0.61 -3.62 117.38 116.19 1xa3 n GLN 31 Ca -0.06 -0.46 0.00 0.00 -0.00 0.00 0.00 57.00 56.47 1xa3 n GLN 31 Cb 0.68 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 29.24 1xa3 n GLN 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xa3 n PHE 33 N 2.52 0.00 0.11 3.69 3.72 -1.25 -1.73 117.46 124.51 1xa3 n PHE 33 Ca 0.20 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.57 1xa3 n PHE 33 Cb 0.48 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 39.20 1xa3 n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xa3 h ALA 34 N 0.00 1.00 -0.21 4.37 0.00 -1.78 -2.09 119.26 120.56 1xa3 h ALA 34 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1xa3 h ALA 34 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xa3 h ALA 34 CO 0.00 0.67 0.16 0.93 0.00 0.00 0.00 179.25 181.01 1xa3 h GLU 35 N 0.13 0.00 -0.24 0.00 4.39 -1.66 -3.02 114.58 114.18 1xa3 h GLU 35 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xa3 h GLU 35 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1xa3 h GLU 35 CO 0.08 0.00 0.00 0.91 -1.16 0.00 0.00 179.01 178.84 1xa3 n TRP 36 N -4.35 0.57 0.00 4.33 8.01 -0.92 -3.94 117.44 121.14 1xa3 n TRP 36 Ca 0.02 -0.71 0.00 0.00 -1.31 0.00 0.00 57.50 55.50 1xa3 n TRP 36 Cb 0.30 -0.16 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 1xa3 n TRP 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xa3 n GLY 37 N -0.22 0.97 3.77 6.99 0.00 -1.09 -1.31 105.19 114.31 1xa3 n GLY 37 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1xa3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa3 s ALA 38 N -2.00 2.42 -0.46 4.61 0.00 -0.83 -3.61 121.76 121.88 1xa3 s ALA 38 Ca 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 1xa3 s ALA 38 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1xa3 s ALA 38 CO 0.00 -1.43 0.87 -2.00 0.00 0.00 0.00 175.76 173.20 1xa3 s GLU 39 N -4.43 3.47 -0.10 0.00 2.12 -0.25 -4.46 118.70 115.05 1xa3 s GLU 39 Ca 0.64 0.03 0.04 0.00 0.36 0.00 0.00 54.97 56.04 1xa3 s GLU 39 Cb -0.19 -3.94 -0.00 0.00 0.26 0.00 0.00 34.13 30.26 1xa3 s GLU 39 CO 0.47 -1.20 -0.23 0.08 -0.54 0.00 0.00 175.26 173.85 1xa3 s VAL 40 N 3.58 2.18 -0.21 3.70 1.01 -1.26 -0.80 120.40 128.61 1xa3 s VAL 40 Ca 0.34 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1xa3 s VAL 40 Cb -0.11 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1xa3 s VAL 40 CO 0.25 0.56 -0.04 -0.63 0.00 0.00 0.00 175.10 175.23 1xa3 s ILE 41 N 0.32 3.51 -0.38 2.22 1.01 -0.28 -1.45 121.20 126.16 1xa3 s ILE 41 Ca -0.17 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 1xa3 s ILE 41 Cb -0.18 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.72 1xa3 s ILE 41 CO 0.08 0.43 0.55 0.86 0.00 0.00 0.00 174.94 176.87 1xa3 s TRP 42 N 1.24 3.15 -0.13 3.97 -0.00 0.46 -1.25 118.94 126.38 1xa3 s TRP 42 Ca 0.03 0.10 -0.23 0.00 -0.00 0.00 0.00 56.10 56.00 1xa3 s TRP 42 Cb -0.14 -3.05 -0.03 0.00 -0.00 0.00 0.00 33.47 30.25 1xa3 s TRP 42 CO -0.01 -0.64 0.70 0.42 -0.00 0.00 0.00 176.95 177.42 1xa3 s ILE 43 N 2.51 5.01 0.12 5.86 1.01 -0.51 -0.89 121.20 134.30 1xa3 s ILE 43 Ca 0.20 1.38 0.10 0.00 0.00 0.00 0.00 60.65 62.33 1xa3 s ILE 43 Cb -0.15 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1xa3 s ILE 43 CO 0.15 0.17 -0.26 -1.61 0.00 0.00 0.00 174.94 173.39 1xa3 s GLU 44 N 1.37 1.35 0.70 2.79 2.02 0.42 -4.35 118.70 123.00 1xa3 s GLU 44 Ca 0.35 -1.29 -0.16 0.00 0.02 0.00 0.00 54.97 53.88 1xa3 s GLU 44 Cb -0.17 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.30 1xa3 s GLU 44 CO 0.14 0.42 1.24 1.21 0.02 0.00 0.00 175.26 178.29 1xa3 s ASN 45 N -1.98 4.37 0.01 -0.19 3.84 -1.24 -2.43 114.94 117.32 1xa3 s ASN 45 Ca 0.12 2.45 -0.21 0.00 0.21 0.00 0.00 52.86 55.43 1xa3 s ASN 45 Cb -0.10 -2.60 -0.19 0.00 -0.55 0.00 0.00 41.25 37.81 1xa3 s ASN 45 CO 0.05 -2.15 1.20 0.58 -2.79 0.00 0.00 177.10 173.99 1xa3 h VAL 46 N 0.04 1.42 0.00 -5.21 2.07 -1.89 -3.32 116.25 109.36 1xa3 h VAL 46 Ca -0.49 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.27 1xa3 h VAL 46 Cb 1.31 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 1xa3 h VAL 46 CO 0.51 0.50 -0.41 0.00 0.02 0.00 0.00 177.57 178.19 1xa3 h ALA 47 N 0.44 0.80 -3.11 1.67 0.00 -1.93 -3.44 119.26 113.70 1xa3 h ALA 47 Ca -0.02 -0.18 -0.53 0.00 0.00 0.00 0.00 54.91 54.18 1xa3 h ALA 47 Cb 0.98 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.37 1xa3 h ALA 47 CO 0.07 0.23 -0.76 -1.58 0.00 0.00 0.00 179.25 177.21 1xa3 s TRP 48 N -3.15 0.91 0.75 0.00 0.52 -1.25 -5.13 118.94 111.59 1xa3 s TRP 48 Ca 0.04 -0.99 -0.15 0.00 0.02 0.00 0.00 56.10 55.02 1xa3 s TRP 48 Cb 0.07 -1.11 0.05 0.00 -1.15 0.00 0.00 33.47 31.33 1xa3 s TRP 48 CO 0.72 -0.71 1.24 0.00 0.02 0.00 0.00 176.95 178.22 1xa3 s ALA 49 N 1.90 2.02 0.01 0.98 0.00 -1.26 -3.69 121.76 121.71 1xa3 s ALA 49 Ca 0.04 0.99 -0.37 0.00 0.00 0.00 0.00 51.96 52.62 1xa3 s ALA 49 Cb -0.17 -3.52 -0.16 0.00 0.00 0.00 0.00 23.12 19.27 1xa3 s ALA 49 CO -0.19 -2.07 1.45 -3.47 0.00 0.00 0.00 175.76 171.48 1xa3 n ASP 50 N -2.82 1.91 0.08 0.00 -0.08 -1.26 -4.84 116.55 109.54 1xa3 n ASP 50 Ca 0.14 1.10 0.08 0.00 -1.51 0.00 0.00 54.79 54.61 1xa3 n ASP 50 Cb 0.50 -1.20 0.39 0.00 2.34 0.00 0.00 41.12 43.15 1xa3 n ASP 50 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1xa3 n THR 51 N 3.05 1.13 0.17 5.18 -2.24 -1.26 -1.95 114.28 118.37 1xa3 n THR 51 Ca 0.20 0.41 0.15 0.00 -2.27 0.00 0.00 64.05 62.54 1xa3 n THR 51 Cb 0.18 -1.33 0.74 0.00 -2.10 0.00 0.00 70.33 67.83 1xa3 n THR 51 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1xa3 h ILE 52 N 0.00 0.71 0.00 2.28 6.09 -1.89 -2.59 117.51 122.11 1xa3 h ILE 52 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1xa3 h ILE 52 Cb 0.18 0.87 0.00 0.00 0.47 0.00 0.00 36.82 38.35 1xa3 h ILE 52 CO 0.00 0.00 0.00 0.03 -3.07 0.00 0.00 178.15 175.11 1xa3 h ARG 53 N 0.00 0.00 -0.31 2.19 3.08 -1.76 -2.12 114.38 115.45 1xa3 h ARG 53 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1xa3 h ARG 53 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1xa3 h ARG 53 CO -0.00 0.00 0.12 0.28 -1.07 0.00 0.00 179.97 179.30 1xa3 h VAL 54 N 0.00 1.13 -3.41 2.04 2.07 -1.69 -3.43 116.25 112.96 1xa3 h VAL 54 Ca 0.00 -0.39 -0.52 0.00 0.82 0.00 0.00 66.70 66.61 1xa3 h VAL 54 Cb 0.37 0.76 0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1xa3 h VAL 54 CO 0.00 0.15 0.59 -1.10 0.02 0.00 0.00 177.57 177.23 1xa3 s GLN 55 N -5.22 4.45 0.44 1.57 -1.52 -0.80 -4.95 119.66 113.63 1xa3 s GLN 55 Ca -0.07 1.92 0.25 0.00 -1.95 0.00 0.00 55.36 55.50 1xa3 s GLN 55 Cb 0.17 -3.24 0.78 0.00 -0.22 0.00 0.00 33.01 30.49 1xa3 s GLN 55 CO 0.73 -0.16 1.76 -1.00 -0.25 0.00 0.00 175.29 176.37 1xa3 h PRO 56 N 5.50 0.00 0.00 2.91 0.13 -1.88 -3.42 132.00 135.25 1xa3 h PRO 56 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1xa3 h PRO 56 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xa3 h PRO 56 CO 0.76 0.17 -0.27 0.09 -0.23 0.00 0.00 178.00 178.53 1xa3 n ASN 57 N -3.24 0.59 -0.27 1.44 4.13 -1.26 -4.89 115.26 111.76 1xa3 n ASN 57 Ca 0.01 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.34 1xa3 n ASN 57 Cb 0.47 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 38.88 1xa3 n ASN 57 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1xa3 h TYR 58 N 0.00 -0.05 0.00 3.10 3.20 -1.94 -1.49 116.97 119.79 1xa3 h TYR 58 Ca 0.00 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1xa3 h TYR 58 Cb 0.27 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1xa3 h TYR 58 CO 0.00 -0.26 -0.01 -1.00 -1.64 0.00 0.00 178.16 175.25 1xa3 h PRO 59 N 0.10 0.00 -0.27 1.82 0.13 -1.83 -0.19 132.00 131.76 1xa3 h PRO 59 Ca 0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.59 1xa3 h PRO 59 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1xa3 h PRO 59 CO -0.70 0.01 0.18 1.96 -0.23 0.00 0.00 178.00 179.22 1xa3 h GLN 60 N 0.00 0.25 0.00 0.86 1.08 -1.61 0.72 115.11 116.41 1xa3 h GLN 60 Ca -0.00 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 1xa3 h GLN 60 Cb 0.02 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 1xa3 h GLN 60 CO 0.00 0.17 -0.46 1.25 -0.95 0.00 0.00 178.83 178.84 1xa3 h LEU 61 N 0.26 0.00 0.00 1.46 5.85 -1.21 -3.31 115.31 118.36 1xa3 h LEU 61 Ca 0.11 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1xa3 h LEU 61 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1xa3 h LEU 61 CO -0.02 1.13 0.00 -1.54 -0.34 0.00 0.00 178.44 177.67 1xa3 n SER 62 N -4.56 0.00 -0.19 1.25 3.41 -0.41 -2.76 113.62 110.36 1xa3 n SER 62 Ca -0.17 0.40 0.07 0.00 -0.26 0.00 0.00 58.87 58.91 1xa3 n SER 62 Cb 0.51 -0.46 0.09 0.00 -0.26 0.00 0.00 64.21 64.09 1xa3 n SER 62 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xa3 n ARG 63 N -1.46 0.96 -1.71 4.33 5.12 0.23 -4.84 116.66 119.29 1xa3 n ARG 63 Ca 0.07 -2.04 -0.32 0.00 -1.93 0.00 0.00 57.85 53.62 1xa3 n ARG 63 Cb 0.27 -1.17 0.05 0.00 -1.16 0.00 0.00 32.46 30.45 1xa3 n ARG 63 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1xa3 s ARG 64 N -1.92 2.81 -1.04 5.56 1.70 -1.11 -3.58 118.95 121.37 1xa3 s ARG 64 Ca 0.21 1.28 0.00 0.00 -0.47 0.00 0.00 55.73 56.75 1xa3 s ARG 64 Cb 0.18 -1.96 0.00 0.00 -0.57 0.00 0.00 34.95 32.60 1xa3 s ARG 64 CO 0.02 -1.22 0.00 0.09 -1.08 0.00 0.00 175.30 173.10 1xa3 n ASN 65 N -2.60 -4.73 -4.82 -2.89 4.13 0.05 -4.82 115.26 99.57 1xa3 n ASN 65 Ca 0.10 0.24 -0.27 0.00 1.68 0.00 0.00 54.58 56.33 1xa3 n ASN 65 Cb 0.52 -3.09 -0.05 0.00 -1.54 0.00 0.00 39.78 35.62 1xa3 n ASN 65 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xa3 s LEU 66 N -2.24 3.91 -0.08 3.41 1.43 -1.23 -4.67 118.68 119.22 1xa3 s LEU 66 Ca 0.00 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1xa3 s LEU 66 Cb 0.00 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1xa3 s LEU 66 CO 0.00 0.09 0.10 -1.00 0.23 0.00 0.00 176.35 175.77 1xa3 s HIS 67 N -1.68 3.43 -0.21 0.29 3.76 -0.53 -4.49 115.29 115.87 1xa3 s HIS 67 Ca 0.31 0.37 -0.03 0.00 -0.15 0.00 0.00 55.06 55.56 1xa3 s HIS 67 Cb -0.11 -1.85 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 1xa3 s HIS 67 CO 0.24 0.63 -0.05 0.00 -0.85 0.00 0.00 174.74 174.71 1xa3 s ALA 68 N -1.06 2.79 -0.12 -1.40 0.00 -1.26 -0.40 121.76 120.31 1xa3 s ALA 68 Ca 0.18 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 1xa3 s ALA 68 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1xa3 s ALA 68 CO 0.07 -0.33 -0.11 -1.17 0.00 0.00 0.00 175.76 174.23 1xa3 s LEU 69 N 1.31 2.88 -0.18 0.00 2.96 -0.07 -0.83 118.68 124.74 1xa3 s LEU 69 Ca 0.04 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1xa3 s LEU 69 Cb -0.14 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1xa3 s LEU 69 CO -0.02 0.21 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.55 1xa3 s SER 70 N 0.10 3.16 -0.25 3.68 0.15 -1.26 -0.44 113.70 118.84 1xa3 s SER 70 Ca -0.04 -0.75 -0.18 0.00 0.70 0.00 0.00 55.95 55.67 1xa3 s SER 70 Cb -0.14 -1.23 0.07 0.00 -1.71 0.00 0.00 66.02 63.01 1xa3 s SER 70 CO 0.04 -0.11 0.64 -0.22 1.20 0.00 0.00 173.24 174.79 1xa3 s LEU 71 N 1.42 -0.63 -0.72 3.45 2.96 -1.02 -1.30 118.68 122.85 1xa3 s LEU 71 Ca 0.01 1.34 -0.27 0.00 -0.22 0.00 0.00 54.13 55.00 1xa3 s LEU 71 Cb -0.15 2.19 0.02 0.00 0.50 0.00 0.00 46.19 48.75 1xa3 s LEU 71 CO -0.09 -0.23 1.38 0.21 -1.32 0.00 0.00 176.35 176.30 1xa3 s ASN 72 N 1.01 6.01 0.00 3.68 3.84 -0.18 -4.55 114.94 124.74 1xa3 s ASN 72 Ca -0.05 -0.31 0.30 0.00 0.21 0.00 0.00 52.86 53.01 1xa3 s ASN 72 Cb -0.05 -2.55 1.53 0.00 -0.55 0.00 0.00 41.25 39.62 1xa3 s ASN 72 CO -0.09 -1.93 2.03 2.30 -2.79 0.00 0.00 177.10 176.62 1xa3 n ILE 73 N 6.53 0.00 0.51 -5.21 -5.35 -1.26 -3.09 119.36 111.49 1xa3 n ILE 73 Ca 0.06 -0.04 0.08 0.00 -0.27 0.00 0.00 62.75 62.59 1xa3 n ILE 73 Cb 0.50 -0.30 -0.11 0.00 -1.74 0.00 0.00 39.64 37.99 1xa3 n ILE 73 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xa3 n PHE 74 N -0.97 0.00 -4.12 4.28 3.72 -1.26 -3.64 117.46 115.46 1xa3 n PHE 74 Ca 0.18 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.24 1xa3 n PHE 74 Cb 0.22 -0.15 -0.15 0.00 -0.94 0.00 0.00 39.48 38.46 1xa3 n PHE 74 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1xa3 s LYS 75 N -2.84 3.15 1.68 -1.08 2.47 -1.23 -4.73 119.74 117.16 1xa3 s LYS 75 Ca 0.02 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 53.67 1xa3 s LYS 75 Cb 0.12 -2.71 0.00 0.00 -1.46 0.00 0.00 37.83 33.78 1xa3 s LYS 75 CO 0.71 -0.17 0.00 -0.25 0.16 0.00 0.00 175.35 175.81 1xa3 n ASP 76 N 4.58 0.00 0.12 1.43 8.00 -1.26 -1.09 116.55 128.34 1xa3 n ASP 76 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1xa3 n ASP 76 Cb 0.51 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.89 1xa3 n ASP 76 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1xa3 h GLU 77 N 0.00 0.17 -0.21 -1.24 3.07 -1.98 -1.76 114.58 112.62 1xa3 h GLU 77 Ca 0.00 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1xa3 h GLU 77 Cb 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1xa3 h GLU 77 CO 0.00 0.51 0.10 0.78 -1.40 0.00 0.00 179.01 179.00 1xa3 h GLY 78 N 1.12 0.28 1.01 -3.84 0.00 -1.27 -0.47 103.07 99.90 1xa3 h GLY 78 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1xa3 h GLY 78 CO 0.05 0.06 0.39 -0.09 0.00 0.00 0.00 176.54 176.95 1xa3 h ARG 79 N 0.22 1.04 -0.58 4.80 2.43 -1.15 -1.67 114.38 119.45 1xa3 h ARG 79 Ca 0.09 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1xa3 h ARG 79 Cb 0.03 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.33 1xa3 h ARG 79 CO -0.07 0.78 0.31 1.49 -1.51 0.00 0.00 179.97 180.97 1xa3 h GLU 80 N 1.02 0.56 -0.31 0.20 4.81 -1.12 -0.35 114.58 119.39 1xa3 h GLU 80 Ca 0.26 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1xa3 h GLU 80 Cb 0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1xa3 h GLU 80 CO -0.04 0.37 -0.12 0.00 -0.73 0.00 0.00 179.01 178.49 1xa3 h ALA 81 N 1.31 0.43 -0.17 2.92 0.00 -0.87 -0.95 119.26 121.94 1xa3 h ALA 81 Ca 0.26 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xa3 h ALA 81 Cb 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xa3 h ALA 81 CO -0.17 0.30 0.00 0.35 0.00 0.00 0.00 179.25 179.73 1xa3 h PHE 82 N 0.39 -0.00 0.00 0.00 3.57 -1.13 -0.87 116.94 118.89 1xa3 h PHE 82 Ca 0.07 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1xa3 h PHE 82 Cb 0.64 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1xa3 h PHE 82 CO 0.06 -0.02 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.67 1xa3 h LEU 83 N 0.06 0.00 -0.12 0.59 3.38 -0.92 -2.48 115.31 115.81 1xa3 h LEU 83 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xa3 h LEU 83 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xa3 h LEU 83 CO -0.13 0.38 0.05 0.50 0.09 0.00 0.00 178.44 179.34 1xa3 h LYS 84 N 0.00 0.18 -1.68 1.13 1.63 -0.91 -3.14 116.57 113.79 1xa3 h LYS 84 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1xa3 h LYS 84 Cb 0.69 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1xa3 h LYS 84 CO 0.05 0.28 0.00 -0.11 -3.45 0.00 0.00 179.45 176.22 1xa3 n LEU 85 N -4.90 0.00 0.00 5.20 7.94 -0.36 -4.06 117.00 120.82 1xa3 n LEU 85 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1xa3 n LEU 85 Cb 0.11 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.06 1xa3 n LEU 85 CO 0.34 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.00 1xa3 n GLU 87 N 1.02 0.00 -0.08 1.96 1.02 -1.19 -2.80 120.64 120.56 1xa3 n GLU 87 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.19 1xa3 n GLU 87 Cb 0.00 -0.54 0.09 0.00 -0.02 0.00 0.00 31.44 30.97 1xa3 n GLU 87 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1xa3 n THR 88 N -0.10 1.47 -3.62 2.62 -2.24 -1.26 -4.88 114.28 106.27 1xa3 n THR 88 Ca 0.00 -1.58 -0.37 0.00 -2.27 0.00 0.00 64.05 59.83 1xa3 n THR 88 Cb 0.00 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 1xa3 n THR 88 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xa3 s THR 89 N -1.90 5.30 -0.09 4.28 2.01 -1.12 -4.80 115.64 119.31 1xa3 s THR 89 Ca 0.19 0.51 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 1xa3 s THR 89 Cb 0.15 -3.59 -0.28 0.00 0.01 0.00 0.00 72.50 68.80 1xa3 s THR 89 CO 0.03 0.49 0.59 0.44 -0.69 0.00 0.00 174.62 175.49 1xa3 h ASP 90 N 5.81 0.43 -3.54 3.53 3.32 -1.41 -3.44 116.42 121.11 1xa3 h ASP 90 Ca -0.47 -0.87 -0.39 0.00 0.02 0.00 0.00 57.03 55.31 1xa3 h ASP 90 Cb 1.19 -0.14 -0.33 0.00 0.22 0.00 0.00 39.33 40.27 1xa3 h ASP 90 CO 0.68 1.63 -0.77 -0.63 -1.72 0.00 0.00 179.24 178.44 1xa3 s ILE 91 N -2.49 0.51 -0.15 0.35 1.01 -1.07 -1.93 121.20 117.42 1xa3 s ILE 91 Ca -0.19 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1xa3 s ILE 91 Cb 0.04 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1xa3 s ILE 91 CO 0.78 0.21 -0.20 0.12 0.00 0.00 0.00 174.94 175.85 1xa3 s PHE 92 N 0.73 2.72 -0.14 3.97 5.36 0.15 -1.21 117.98 129.56 1xa3 s PHE 92 Ca -0.10 -1.30 -0.03 0.00 -0.96 0.00 0.00 56.93 54.55 1xa3 s PHE 92 Cb -0.13 -1.85 -0.02 0.00 -0.34 0.00 0.00 43.02 40.68 1xa3 s PHE 92 CO 0.00 -0.60 -0.06 0.42 -1.46 0.00 0.00 175.22 173.52 1xa3 s ILE 93 N 0.89 3.70 -0.00 3.12 1.01 -0.40 -0.50 121.20 129.02 1xa3 s ILE 93 Ca -0.05 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1xa3 s ILE 93 Cb -0.15 -2.60 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 1xa3 s ILE 93 CO -0.03 0.51 -0.03 -1.83 0.00 0.00 0.00 174.94 173.56 1xa3 s GLU 94 N 0.25 0.23 -0.15 2.79 4.04 -0.39 -1.05 118.70 124.42 1xa3 s GLU 94 Ca -0.04 -0.13 0.01 0.00 0.04 0.00 0.00 54.97 54.85 1xa3 s GLU 94 Cb -0.14 -0.20 0.00 0.00 0.02 0.00 0.00 34.13 33.81 1xa3 s GLU 94 CO 0.03 0.05 -0.18 0.00 -1.84 0.00 0.00 175.26 173.33 1xa3 s ALA 95 N -0.14 2.39 0.32 -0.84 0.00 -0.62 -0.73 121.76 122.14 1xa3 s ALA 95 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 1xa3 s ALA 95 Cb -0.02 -1.13 0.06 0.00 0.00 0.00 0.00 23.12 22.03 1xa3 s ALA 95 CO -0.00 -0.05 0.78 -1.13 0.00 0.00 0.00 175.76 175.36 1xa3 n SER 96 N 4.10 -2.00 -4.50 0.00 3.41 -0.89 -4.61 113.62 109.13 1xa3 n SER 96 Ca -0.20 -2.32 -0.42 0.00 -0.26 0.00 0.00 58.87 55.67 1xa3 n SER 96 Cb 0.52 3.31 -0.03 0.00 -0.26 0.00 0.00 64.21 67.75 1xa3 n SER 96 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xa3 s LYS 97 N -2.07 3.39 4.08 4.33 1.02 -1.26 -4.30 119.74 124.92 1xa3 s LYS 97 Ca 0.16 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1xa3 s LYS 97 Cb -0.04 -4.71 0.00 0.00 -0.52 0.00 0.00 37.83 32.56 1xa3 s LYS 97 CO 0.10 -1.97 0.00 0.41 -0.92 0.00 0.00 175.35 172.97 1xa3 n GLY 98 N 5.80 1.03 2.02 -3.33 0.00 -1.24 -3.70 105.19 105.77 1xa3 n GLY 98 Ca 0.15 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1xa3 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xa3 n PRO 99 N 1.86 2.00 0.05 1.61 -0.04 -1.26 -4.56 135.00 134.66 1xa3 n PRO 99 Ca 0.00 -1.06 -0.01 0.00 -0.04 0.00 0.00 63.50 62.39 1xa3 n PRO 99 Cb 0.00 -1.99 0.29 0.00 -0.04 0.00 0.00 33.50 31.76 1xa3 n PRO 99 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xa3 h ALA 100 N 2.96 1.30 -0.24 0.55 0.00 -1.92 -1.72 119.26 120.19 1xa3 h ALA 100 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1xa3 h ALA 100 Cb 1.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1xa3 h ALA 100 CO 0.27 0.46 0.04 0.74 0.00 0.00 0.00 179.25 180.76 1xa3 h PHE 101 N 0.37 0.43 -0.86 0.00 -1.00 -1.84 -2.20 116.94 111.84 1xa3 h PHE 101 Ca 0.07 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1xa3 h PHE 101 Cb 0.49 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.89 1xa3 h PHE 101 CO 0.01 0.53 0.54 0.00 -1.61 0.00 0.00 178.31 177.78 1xa3 h ALA 102 N 0.85 1.10 0.00 2.45 0.00 -1.43 -1.01 119.26 121.21 1xa3 h ALA 102 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1xa3 h ALA 102 Cb 0.33 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xa3 h ALA 102 CO 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 1xa3 h ARG 103 N 1.18 0.00 -0.14 0.00 3.08 -1.17 -1.78 114.38 115.55 1xa3 h ARG 103 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1xa3 h ARG 103 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1xa3 h ARG 103 CO -0.06 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.42 1xa3 n ARG 104 N -4.48 1.63 -0.27 0.04 1.74 -0.63 -4.94 116.66 109.75 1xa3 n ARG 104 Ca -0.03 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 1xa3 n ARG 104 Cb 0.13 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1xa3 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xa3 n GLY 105 N 1.08 0.72 3.33 -0.13 0.00 -0.67 -5.01 105.19 104.52 1xa3 n GLY 105 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 1xa3 n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xa3 s ILE 106 N -2.59 5.86 0.66 -0.61 1.01 -0.48 -4.91 121.20 120.14 1xa3 s ILE 106 Ca 0.00 -3.23 -0.10 0.00 0.00 0.00 0.00 60.65 57.32 1xa3 s ILE 106 Cb 0.00 -4.54 -0.00 0.00 0.01 0.00 0.00 42.46 37.92 1xa3 s ILE 106 CO 0.00 -1.15 1.03 0.42 0.00 0.00 0.00 174.94 175.25 1xa3 s THR 107 N -0.95 3.86 0.39 2.92 -4.23 -1.26 -3.16 115.64 113.21 1xa3 s THR 107 Ca 0.28 0.48 0.09 0.00 -1.18 0.00 0.00 61.69 61.36 1xa3 s THR 107 Cb -0.10 -3.58 0.31 0.00 1.34 0.00 0.00 72.50 70.47 1xa3 s THR 107 CO -0.08 -0.73 1.96 0.44 -0.54 0.00 0.00 174.62 175.67 1xa3 h ASP 108 N -0.46 0.54 -0.37 3.99 3.32 -1.96 -1.75 116.42 119.74 1xa3 h ASP 108 Ca -0.45 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1xa3 h ASP 108 Cb 1.24 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1xa3 h ASP 108 CO 0.63 0.34 0.12 -0.33 -1.72 0.00 0.00 179.24 178.28 1xa3 h GLU 109 N 0.61 0.57 -0.62 3.56 3.07 -1.98 -0.02 114.58 119.77 1xa3 h GLU 109 Ca 0.31 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1xa3 h GLU 109 Cb 0.40 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1xa3 h GLU 109 CO -0.10 0.58 0.35 0.28 -1.40 0.00 0.00 179.01 178.72 1xa3 h VAL 110 N 0.45 1.19 -0.80 3.13 2.07 -1.79 -1.01 116.25 119.50 1xa3 h VAL 110 Ca 0.12 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1xa3 h VAL 110 Cb 0.24 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1xa3 h VAL 110 CO -0.01 0.21 0.51 -0.07 0.02 0.00 0.00 177.57 178.24 1xa3 h LEU 111 N 0.84 0.86 -0.72 2.57 3.38 -0.89 -2.62 115.31 118.74 1xa3 h LEU 111 Ca 0.22 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1xa3 h LEU 111 Cb 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1xa3 h LEU 111 CO -0.04 0.60 -0.09 -0.50 0.09 0.00 0.00 178.44 178.50 1xa3 h TRP 112 N 1.01 0.00 -0.52 1.13 6.55 -0.64 -0.55 115.95 122.92 1xa3 h TRP 112 Ca 0.31 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 60.11 1xa3 h TRP 112 Cb -0.02 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.26 1xa3 h TRP 112 CO -0.03 0.09 0.14 1.96 -1.05 0.00 0.00 178.44 179.55 1xa3 h GLN 113 N 0.00 0.79 0.03 0.49 4.20 -0.80 -2.42 115.11 117.39 1xa3 h GLN 113 Ca -0.00 -0.15 -0.26 0.00 0.06 0.00 0.00 58.65 58.30 1xa3 h GLN 113 Cb 0.82 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 1xa3 h GLN 113 CO 0.01 0.70 -1.37 0.45 -0.67 0.00 0.00 178.83 177.96 1xa3 h HIS 114 N 0.77 0.10 -1.67 2.96 3.86 -1.30 -3.44 115.15 116.43 1xa3 h HIS 114 Ca 0.17 -0.08 -0.22 0.00 -1.16 0.00 0.00 60.37 59.09 1xa3 h HIS 114 Cb 0.26 -0.00 -0.28 0.00 1.06 0.00 0.00 27.41 28.45 1xa3 h HIS 114 CO 0.01 1.09 -0.56 1.21 0.86 0.00 0.00 177.93 180.54 1xa3 s ASN 115 N -6.56 0.33 0.44 2.45 3.84 -0.28 -4.29 114.94 110.87 1xa3 s ASN 115 Ca -0.03 -0.73 0.30 0.00 0.21 0.00 0.00 52.86 52.61 1xa3 s ASN 115 Cb 0.09 1.08 1.50 0.00 -0.55 0.00 0.00 41.25 43.36 1xa3 s ASN 115 CO 0.83 -0.31 1.91 1.55 -2.79 0.00 0.00 177.10 178.29 1xa3 h PRO 116 N 7.75 0.00 -0.01 0.43 0.13 -1.69 -1.95 132.00 136.67 1xa3 h PRO 116 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1xa3 h PRO 116 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xa3 h PRO 116 CO 0.23 0.00 -0.21 1.63 -0.23 0.00 0.00 178.00 179.42 1xa3 n LYS 117 N -2.61 0.68 -1.73 0.86 5.02 -1.26 -0.90 118.16 118.22 1xa3 n LYS 117 Ca -0.01 -0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 55.53 1xa3 n LYS 117 Cb 0.13 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 1xa3 n LYS 117 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xa3 n LEU 118 N -0.88 4.07 -4.59 -0.35 7.94 -0.73 -3.88 117.00 118.57 1xa3 n LEU 118 Ca 0.12 1.11 -0.39 0.00 -1.11 0.00 0.00 56.01 55.74 1xa3 n LEU 118 Cb 0.32 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.60 1xa3 n LEU 118 CO 0.26 0.10 -0.01 -0.69 -1.11 0.00 0.00 177.39 175.94 1xa3 s VAL 119 N 0.53 5.22 -0.18 1.96 1.01 -0.81 -1.72 120.40 126.39 1xa3 s VAL 119 Ca 0.70 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1xa3 s VAL 119 Cb -0.52 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1xa3 s VAL 119 CO 0.41 0.16 -0.13 -0.63 0.00 0.00 0.00 175.10 174.91 1xa3 s ILE 120 N 1.97 2.73 -0.20 2.22 1.01 0.46 -0.67 121.20 128.72 1xa3 s ILE 120 Ca 0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 1xa3 s ILE 120 Cb -0.16 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.12 1xa3 s ILE 120 CO 0.10 0.49 -0.09 0.00 0.00 0.00 0.00 174.94 175.45 1xa3 s ALA 121 N 1.14 2.68 -0.29 9.38 0.00 0.35 -0.37 121.76 134.65 1xa3 s ALA 121 Ca 0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 1xa3 s ALA 121 Cb -0.14 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.47 1xa3 s ALA 121 CO -0.05 -0.32 0.07 -1.01 0.00 0.00 0.00 175.76 174.45 1xa3 s HIS 122 N 1.28 3.14 -0.25 0.00 3.76 0.68 -1.26 115.29 122.64 1xa3 s HIS 122 Ca 0.03 -1.02 -0.07 0.00 -0.15 0.00 0.00 55.06 53.86 1xa3 s HIS 122 Cb -0.14 -2.24 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 1xa3 s HIS 122 CO -0.04 -0.59 0.06 -1.17 -0.85 0.00 0.00 174.74 172.15 1xa3 s LEU 123 N 1.49 3.39 0.23 0.89 0.20 0.09 -1.27 118.68 123.70 1xa3 s LEU 123 Ca 0.02 -0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.63 1xa3 s LEU 123 Cb -0.17 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 1xa3 s LEU 123 CO 0.02 -0.03 0.16 -0.94 -0.29 0.00 0.00 176.35 175.26 1xa3 s SER 124 N 1.60 0.53 0.12 3.68 1.04 -0.69 -2.10 113.70 117.87 1xa3 s SER 124 Ca 0.06 -1.47 -0.13 0.00 0.48 0.00 0.00 55.95 54.90 1xa3 s SER 124 Cb -0.15 0.41 -0.08 0.00 0.10 0.00 0.00 66.02 66.30 1xa3 s SER 124 CO 0.03 -0.88 1.42 1.23 0.98 0.00 0.00 173.24 176.02 1xa3 h GLY 125 N 2.51 0.89 0.00 7.32 0.00 -1.84 -3.38 103.07 108.57 1xa3 h GLY 125 Ca -0.34 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.03 1xa3 h GLY 125 CO 0.50 0.87 0.00 0.69 0.00 0.00 0.00 176.54 178.60 1xa3 n PHE 126 N -4.13 0.00 0.00 5.60 3.72 -1.26 -2.72 117.46 118.67 1xa3 n PHE 126 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1xa3 n PHE 126 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1xa3 n PHE 126 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xa3 n GLY 127 N 0.02 1.61 0.12 1.37 0.00 -1.26 -4.77 105.19 102.28 1xa3 n GLY 127 Ca 0.00 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 44.07 1xa3 n GLY 127 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xa3 h GLN 128 N 0.00 0.00 -3.80 1.61 1.08 -1.90 -3.39 115.11 108.70 1xa3 h GLN 128 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1xa3 h GLN 128 Cb 0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.32 1xa3 h GLN 128 CO 0.00 0.00 -0.25 1.52 -0.95 0.00 0.00 178.83 179.15 1xa3 s TYR 129 N -3.20 0.38 0.00 2.96 -0.85 -1.26 -4.29 117.35 111.10 1xa3 s TYR 129 Ca 0.06 -0.73 0.00 0.00 -0.52 0.00 0.00 57.07 55.88 1xa3 s TYR 129 Cb 0.10 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.47 1xa3 s TYR 129 CO 0.69 -0.81 0.00 0.41 -1.52 0.00 0.00 175.55 174.32 1xa3 n GLY 130 N -0.28 -0.17 3.97 5.49 0.00 -1.26 -4.94 105.19 108.00 1xa3 n GLY 130 Ca -0.05 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1xa3 n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xa3 s THR 131 N -0.88 4.38 0.38 2.61 -4.23 -1.26 -4.97 115.64 111.66 1xa3 s THR 131 Ca 0.00 -0.75 0.21 0.00 -1.18 0.00 0.00 61.69 59.97 1xa3 s THR 131 Cb 0.00 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.48 1xa3 s THR 131 CO 0.00 -0.30 1.96 -0.33 -0.54 0.00 0.00 174.62 175.41 1xa3 h GLU 132 N 0.74 0.00 -0.42 3.99 4.39 -2.00 -2.41 114.58 118.87 1xa3 h GLU 132 Ca -0.47 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 1xa3 h GLU 132 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1xa3 h GLU 132 CO 0.57 0.22 -0.25 1.49 -1.16 0.00 0.00 179.01 179.88 1xa3 h GLU 133 N 0.00 0.87 0.00 2.33 4.81 -2.03 -3.38 114.58 117.17 1xa3 h GLU 133 Ca -0.00 -0.37 -0.15 0.00 -0.13 0.00 0.00 59.36 58.71 1xa3 h GLU 133 Cb 0.47 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1xa3 h GLU 133 CO 0.03 1.01 -1.64 0.66 -0.73 0.00 0.00 179.01 178.34 1xa3 n TYR 134 N -4.10 0.00 -0.05 0.92 4.01 -1.21 -4.74 117.16 111.98 1xa3 n TYR 134 Ca -0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1xa3 n TYR 134 Cb 0.46 -0.44 0.28 0.00 -0.31 0.00 0.00 39.34 39.32 1xa3 n TYR 134 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1xa3 h THR 135 N 0.00 1.19 -0.65 -0.72 2.02 -1.61 -2.59 112.91 110.56 1xa3 h THR 135 Ca -0.22 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1xa3 h THR 135 Cb 1.42 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1xa3 h THR 135 CO 0.01 0.25 0.00 0.59 0.37 0.00 0.00 175.52 176.74 1xa3 n ASN 136 N -4.31 5.07 -4.83 4.18 3.02 -1.26 -3.60 115.26 113.53 1xa3 n ASN 136 Ca 0.03 -2.57 -0.32 0.00 -0.03 0.00 0.00 54.58 51.69 1xa3 n ASN 136 Cb 0.20 -0.61 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 1xa3 n ASN 136 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xa3 s LEU 137 N -2.07 3.55 0.46 3.41 1.43 -0.98 -4.81 118.68 119.67 1xa3 s LEU 137 Ca 0.53 1.67 -0.24 0.00 -1.03 0.00 0.00 54.13 55.06 1xa3 s LEU 137 Cb 0.36 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.99 1xa3 s LEU 137 CO 0.23 -0.84 1.25 -2.16 0.23 0.00 0.00 176.35 175.05 1xa3 s PRO 138 N -4.12 3.72 -0.21 1.29 0.04 -1.26 -4.61 135.00 129.85 1xa3 s PRO 138 Ca 0.61 1.99 -0.24 0.00 0.04 0.00 0.00 61.00 63.40 1xa3 s PRO 138 Cb -0.13 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 1xa3 s PRO 138 CO 0.35 -0.65 0.77 0.00 0.04 0.00 0.00 177.00 177.51 1xa3 s ALA 139 N -1.40 3.58 -0.01 8.56 0.00 -1.26 -4.82 121.76 126.41 1xa3 s ALA 139 Ca 0.63 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.41 1xa3 s ALA 139 Cb -0.34 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 1xa3 s ALA 139 CO 0.42 -0.74 0.08 0.71 0.00 0.00 0.00 175.76 176.23 1xa3 s TYR 140 N 2.37 0.04 0.18 0.00 2.02 -1.26 -4.97 117.35 115.74 1xa3 s TYR 140 Ca 0.34 -0.08 -0.15 0.00 -0.37 0.00 0.00 57.07 56.81 1xa3 s TYR 140 Cb -0.16 -0.05 0.16 0.00 -0.40 0.00 0.00 41.96 41.51 1xa3 s TYR 140 CO 0.10 -0.18 1.68 -0.97 -1.57 0.00 0.00 175.55 174.61 1xa3 h ASN 141 N 5.00 -0.23 -0.59 2.29 -1.24 -1.94 -1.17 115.58 117.69 1xa3 h ASN 141 Ca -0.29 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 56.82 1xa3 h ASN 141 Cb 1.20 0.21 -0.03 0.00 0.73 0.00 0.00 38.32 40.43 1xa3 h ASN 141 CO 0.42 -0.08 0.32 0.71 -1.29 0.00 0.00 177.43 177.52 1xa3 h THR 142 N 0.09 1.19 -0.41 -3.57 1.35 -1.97 -1.33 112.91 108.27 1xa3 h THR 142 Ca 0.23 -0.49 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 1xa3 h THR 142 Cb 0.34 0.44 -0.02 0.00 -1.73 0.00 0.00 68.15 67.18 1xa3 h THR 142 CO -0.40 0.21 0.17 0.40 -0.25 0.00 0.00 175.52 175.66 1xa3 h ILE 143 N 0.80 1.19 -0.85 6.82 2.04 -1.90 -0.29 117.51 125.32 1xa3 h ILE 143 Ca 0.21 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1xa3 h ILE 143 Cb 0.05 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1xa3 h ILE 143 CO -0.03 0.21 0.56 0.00 0.00 0.00 0.00 178.15 178.89 1xa3 h ALA 144 N 1.02 1.10 -0.61 1.87 0.00 -1.03 0.72 119.26 122.32 1xa3 h ALA 144 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1xa3 h ALA 144 Cb 0.17 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xa3 h ALA 144 CO -0.01 0.43 0.01 1.96 0.00 0.00 0.00 179.25 181.64 1xa3 h GLN 145 N 1.11 1.07 -0.57 0.00 4.20 -0.93 -2.51 115.11 117.48 1xa3 h GLN 145 Ca 0.33 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1xa3 h GLN 145 Cb -0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1xa3 h GLN 145 CO -0.09 1.04 0.30 0.00 -0.67 0.00 0.00 178.83 179.41 1xa3 h ALA 146 N 1.01 0.74 0.00 3.87 0.00 -0.56 -0.82 119.26 123.50 1xa3 h ALA 146 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xa3 h ALA 146 Cb 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xa3 h ALA 146 CO 0.03 0.27 -0.21 0.35 0.00 0.00 0.00 179.25 179.69 1xa3 h PHE 147 N 0.77 0.00 -0.02 0.00 3.57 -0.81 -3.31 116.94 117.14 1xa3 h PHE 147 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1xa3 h PHE 147 Cb 0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1xa3 h PHE 147 CO -0.01 0.00 -0.21 -1.13 -2.23 0.00 0.00 178.31 174.73 1xa3 n SER 148 N -2.79 2.53 0.00 0.41 3.41 -0.95 -4.96 113.62 111.28 1xa3 n SER 148 Ca 0.04 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1xa3 n SER 148 Cb 0.51 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 1xa3 n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xa3 n GLY 149 N 1.38 0.81 0.15 5.00 0.00 -1.22 -4.34 105.19 106.97 1xa3 n GLY 149 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1xa3 n GLY 149 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xa3 h TYR 150 N 0.00 0.75 -0.50 1.61 3.20 -1.75 -3.30 116.97 116.97 1xa3 h TYR 150 Ca 0.00 -0.44 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 1xa3 h TYR 150 Cb 0.00 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1xa3 h TYR 150 CO 0.00 1.28 0.24 1.25 -1.64 0.00 0.00 178.16 179.29 1xa3 h LEU 151 N 0.01 0.66 -1.82 2.82 6.46 -1.47 -2.40 115.31 119.56 1xa3 h LEU 151 Ca -0.12 -0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1xa3 h LEU 151 Cb 1.54 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1xa3 h LEU 151 CO 0.16 0.60 0.00 -0.29 -0.62 0.00 0.00 178.44 178.29 1xa3 h ILE 152 N 0.66 0.00 -0.01 4.05 6.09 -1.81 -0.88 117.51 125.62 1xa3 h ILE 152 Ca 0.17 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.40 1xa3 h ILE 152 Cb 0.12 1.17 0.00 0.00 0.47 0.00 0.00 36.82 38.57 1xa3 h ILE 152 CO -0.02 0.00 -0.31 0.00 -3.07 0.00 0.00 178.15 174.75 1xa3 n GLN 153 N -2.87 0.94 -3.92 2.19 6.02 -0.91 -4.84 117.38 113.97 1xa3 n GLN 153 Ca -0.01 -0.62 -0.21 0.00 -0.01 0.00 0.00 57.00 56.16 1xa3 n GLN 153 Cb 0.19 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 1xa3 n GLN 153 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xa3 s ASN 154 N -2.49 6.23 0.00 1.08 0.01 -0.33 -4.82 114.94 114.61 1xa3 s ASN 154 Ca 0.23 0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 1xa3 s ASN 154 Cb 0.19 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 40.09 1xa3 s ASN 154 CO 0.53 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.62 1xa3 n GLY 155 N -1.42 -1.53 3.96 0.66 0.00 -1.26 -4.34 105.19 101.26 1xa3 n GLY 155 Ca -0.08 -1.67 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1xa3 n GLY 155 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xa3 s ASP 156 N -4.00 5.77 0.27 1.61 -1.08 -0.20 -4.80 116.67 114.25 1xa3 s ASP 156 Ca 0.00 -0.29 -0.04 0.00 -0.52 0.00 0.00 52.55 51.70 1xa3 s ASP 156 Cb 0.00 -1.12 0.55 0.00 -1.46 0.00 0.00 42.92 40.89 1xa3 s ASP 156 CO 0.00 -0.44 1.60 0.58 0.52 0.00 0.00 175.17 177.44 1xa3 h VAL 157 N 0.97 0.18 -0.16 1.11 2.07 -1.95 -0.83 116.25 117.64 1xa3 h VAL 157 Ca -0.45 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 1xa3 h VAL 157 Cb 1.26 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1xa3 h VAL 157 CO 0.54 0.01 -0.10 0.47 0.02 0.00 0.00 177.57 178.50 1xa3 n ASP 158 N -5.43 2.70 -3.34 0.57 8.00 -1.26 -4.82 116.55 112.96 1xa3 n ASP 158 Ca 0.17 -3.38 -0.13 0.00 0.71 0.00 0.00 54.79 52.16 1xa3 n ASP 158 Cb 0.58 -0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 1xa3 n ASP 158 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1xa3 s GLN 159 N -3.02 0.52 1.32 -1.24 2.00 -0.32 -5.23 119.66 113.68 1xa3 s GLN 159 Ca 0.39 -0.36 -0.22 0.00 -2.00 0.00 0.00 55.36 53.17 1xa3 s GLN 159 Cb 0.34 -0.52 0.34 0.00 0.80 0.00 0.00 33.01 33.97 1xa3 s GLN 159 CO 0.02 -1.11 0.95 -0.35 -0.50 0.00 0.00 175.29 174.30 1xa3 n PRO 160 N 4.82 -3.99 -3.17 1.67 -0.04 -1.26 -1.04 135.00 132.00 1xa3 n PRO 160 Ca 0.05 -1.55 -0.33 0.00 -0.04 0.00 0.00 63.50 61.63 1xa3 n PRO 160 Cb 0.48 -1.72 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 1xa3 n PRO 160 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1xa3 s PRO 162 N -5.21 3.99 0.50 0.54 0.02 -1.26 -4.86 135.00 128.73 1xa3 s PRO 162 Ca 0.67 0.63 -0.22 0.00 0.02 0.00 0.00 61.00 62.10 1xa3 s PRO 162 Cb -0.09 -2.49 -0.06 0.00 0.02 0.00 0.00 34.50 31.88 1xa3 s PRO 162 CO 0.54 0.19 1.23 0.00 -0.33 0.00 0.00 177.00 178.63 1xa3 s ALA 163 N -1.93 2.88 0.04 -1.55 0.00 -1.26 -4.89 121.76 115.04 1xa3 s ALA 163 Ca 0.52 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.57 1xa3 s ALA 163 Cb -0.11 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1xa3 s ALA 163 CO 0.18 -0.93 -0.08 0.12 0.00 0.00 0.00 175.76 175.05 1xa3 s PHE 164 N -1.48 0.70 -0.28 0.00 5.36 -1.26 -3.98 117.98 117.03 1xa3 s PHE 164 Ca 0.68 -0.47 -0.18 0.00 -0.96 0.00 0.00 56.93 56.00 1xa3 s PHE 164 Cb -0.32 -0.42 -0.02 0.00 -0.34 0.00 0.00 43.02 41.92 1xa3 s PHE 164 CO 0.38 -0.07 0.52 -1.25 -1.46 0.00 0.00 175.22 173.35 1xa3 s PRO 165 N -1.49 3.96 -1.41 10.12 0.04 -1.26 -4.80 135.00 140.16 1xa3 s PRO 165 Ca -0.09 0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.08 1xa3 s PRO 165 Cb -0.09 -3.69 0.02 0.00 0.04 0.00 0.00 34.50 30.77 1xa3 s PRO 165 CO 0.00 -0.43 1.05 0.66 0.04 0.00 0.00 177.00 178.33 1xa3 n TYR 166 N 5.61 -2.66 -0.30 0.56 4.01 -1.26 -4.86 117.16 118.28 1xa3 n TYR 166 Ca -0.04 0.91 0.08 0.00 -0.16 0.00 0.00 57.90 58.69 1xa3 n TYR 166 Cb 0.49 -4.83 0.23 0.00 -0.31 0.00 0.00 39.34 34.93 1xa3 n TYR 166 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1xa3 h THR 167 N -2.39 0.70 0.00 -0.72 2.02 -1.87 -0.98 112.91 109.67 1xa3 h THR 167 Ca -0.56 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 1xa3 h THR 167 Cb 1.37 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1xa3 h THR 167 CO 0.57 0.11 -0.30 0.00 0.37 0.00 0.00 175.52 176.27 1xa3 h ALA 168 N 1.57 1.49 -0.39 6.16 0.00 -1.87 -1.82 119.26 124.40 1xa3 h ALA 168 Ca 0.47 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1xa3 h ALA 168 Cb 0.70 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xa3 h ALA 168 CO -0.38 0.37 -0.10 -0.44 0.00 0.00 0.00 179.25 178.70 1xa3 h ASP 169 N 0.00 0.77 -0.18 0.00 3.32 -1.52 -1.72 116.42 117.08 1xa3 h ASP 169 Ca -0.00 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 1xa3 h ASP 169 Cb 0.53 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1xa3 h ASP 169 CO 0.04 0.95 0.02 1.88 -1.72 0.00 0.00 179.24 180.41 1xa3 h TYR 170 N 0.57 0.34 -0.72 4.55 0.05 -1.43 -0.05 116.97 120.27 1xa3 h TYR 170 Ca 0.10 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.88 1xa3 h TYR 170 Cb 0.62 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.22 1xa3 h TYR 170 CO 0.05 0.49 0.43 0.74 -1.05 0.00 0.00 178.16 178.82 1xa3 h PHE 171 N 0.09 0.79 -0.33 4.88 0.05 -1.36 -0.39 116.94 120.68 1xa3 h PHE 171 Ca 0.05 0.02 -0.11 0.00 3.82 0.00 0.00 57.97 61.76 1xa3 h PHE 171 Cb 0.35 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 1xa3 h PHE 171 CO 0.03 0.41 -0.23 0.77 -0.18 0.00 0.00 178.31 179.10 1xa3 h SER 172 N 0.80 0.77 -0.11 2.17 0.02 -1.17 -0.75 113.55 115.27 1xa3 h SER 172 Ca 0.31 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1xa3 h SER 172 Cb 0.14 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1xa3 h SER 172 CO -0.16 1.04 0.01 1.23 -1.14 0.00 0.00 176.83 177.82 1xa3 h GLY 173 N 0.50 0.21 0.66 -3.77 0.00 -0.83 -2.33 103.07 97.51 1xa3 h GLY 173 Ca 0.06 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.32 1xa3 h GLY 173 CO 0.06 0.13 0.45 -2.00 0.00 0.00 0.00 176.54 175.18 1xa3 h LEU 174 N -0.05 0.68 -0.68 3.11 5.85 -1.03 -2.00 115.31 121.19 1xa3 h LEU 174 Ca 0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1xa3 h LEU 174 Cb 0.31 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1xa3 h LEU 174 CO 0.00 0.43 0.42 0.74 -0.34 0.00 0.00 178.44 179.69 1xa3 h THR 175 N 0.81 1.09 -0.65 1.05 2.02 -1.00 -0.82 112.91 115.41 1xa3 h THR 175 Ca 0.35 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 67.29 1xa3 h THR 175 Cb 0.22 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.77 1xa3 h THR 175 CO -0.19 0.15 0.37 0.00 0.37 0.00 0.00 175.52 176.22 1xa3 h ALA 176 N 1.29 0.86 -0.21 6.16 0.00 -0.84 0.58 119.26 127.09 1xa3 h ALA 176 Ca 0.27 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1xa3 h ALA 176 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xa3 h ALA 176 CO -0.11 0.07 0.11 1.15 0.00 0.00 0.00 179.25 180.47 1xa3 h THR 177 N 0.70 1.00 0.00 0.00 2.02 -0.95 -0.31 112.91 115.38 1xa3 h THR 177 Ca 0.28 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.40 1xa3 h THR 177 Cb 0.13 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1xa3 h THR 177 CO -0.16 0.04 -0.08 0.74 0.37 0.00 0.00 175.52 176.44 1xa3 h THR 178 N 0.23 0.79 -0.78 3.16 2.02 -0.71 -1.08 112.91 116.54 1xa3 h THR 178 Ca 0.09 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1xa3 h THR 178 Cb 0.01 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1xa3 h THR 178 CO -0.05 0.00 0.32 0.00 0.37 0.00 0.00 175.52 176.16 1xa3 h ALA 179 N 0.84 1.01 -0.57 6.16 0.00 -0.80 -1.31 119.26 124.59 1xa3 h ALA 179 Ca 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1xa3 h ALA 179 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xa3 h ALA 179 CO -0.08 0.63 0.13 0.00 0.00 0.00 0.00 179.25 179.92 1xa3 h ALA 180 N 1.17 0.76 -0.26 0.00 0.00 -0.92 -0.54 119.26 119.45 1xa3 h ALA 180 Ca 0.26 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xa3 h ALA 180 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xa3 h ALA 180 CO -0.02 0.47 -0.10 -0.07 0.00 0.00 0.00 179.25 179.52 1xa3 h LEU 181 N 0.82 0.41 -0.23 0.00 3.38 -0.88 -0.18 115.31 118.63 1xa3 h LEU 181 Ca 0.18 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xa3 h LEU 181 Cb 0.36 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xa3 h LEU 181 CO 0.00 0.56 0.04 0.00 0.09 0.00 0.00 178.44 179.13 1xa3 h ALA 182 N 1.49 0.31 -0.26 1.53 0.00 -0.78 -2.68 119.26 118.86 1xa3 h ALA 182 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xa3 h ALA 182 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xa3 h ALA 182 CO 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 179.25 179.15 1xa3 h ALA 183 N 0.85 1.33 -0.68 0.00 0.00 -0.86 -2.51 119.26 117.39 1xa3 h ALA 183 Ca 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xa3 h ALA 183 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xa3 h ALA 183 CO 0.00 0.45 0.41 1.25 0.00 0.00 0.00 179.25 181.36 1xa3 h LEU 184 N 0.40 0.81 -0.61 0.00 5.85 -0.94 -2.23 115.31 118.58 1xa3 h LEU 184 Ca 0.08 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1xa3 h LEU 184 Cb 0.44 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 1xa3 h LEU 184 CO 0.02 0.63 0.17 -0.74 -0.34 0.00 0.00 178.44 178.19 1xa3 h HIS 185 N 0.92 0.29 -0.19 1.25 2.76 -1.10 -2.09 115.15 116.98 1xa3 h HIS 185 Ca 0.24 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.38 1xa3 h HIS 185 Cb -0.03 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1xa3 h HIS 185 CO -0.02 0.02 -0.16 -0.22 -1.30 0.00 0.00 177.93 176.25 1xa3 h LYS 186 N 0.32 0.32 -0.62 5.26 1.63 -1.31 -2.48 116.57 119.69 1xa3 h LYS 186 Ca 0.32 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 1xa3 h LYS 186 Cb 0.46 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1xa3 h LYS 186 CO -0.37 0.49 0.29 0.28 -3.45 0.00 0.00 179.45 176.68 1xa3 h VAL 187 N 0.30 1.21 -0.85 2.00 2.07 -0.90 -2.38 116.25 117.70 1xa3 h VAL 187 Ca 0.06 -0.59 0.14 0.00 0.82 0.00 0.00 66.70 67.13 1xa3 h VAL 187 Cb 0.47 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1xa3 h VAL 187 CO 0.03 0.25 0.44 -0.09 0.02 0.00 0.00 177.57 178.21 1xa3 h ARG 188 N 0.88 0.61 0.21 1.57 2.43 -1.31 0.62 114.38 119.38 1xa3 h ARG 188 Ca 0.21 -0.04 -0.29 0.00 -0.81 0.00 0.00 59.98 59.06 1xa3 h ARG 188 Cb 0.11 -0.14 0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1xa3 h ARG 188 CO -0.03 0.40 -1.28 0.93 -1.51 0.00 0.00 179.97 178.48 1xa3 h GLU 189 N 0.62 0.43 0.00 0.20 3.07 -1.56 -3.39 114.58 113.95 1xa3 h GLU 189 Ca 0.46 -0.74 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1xa3 h GLU 189 Cb 0.64 0.28 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1xa3 h GLU 189 CO -0.36 1.36 -1.83 0.25 -1.40 0.00 0.00 179.01 177.03 1xa3 n THR 190 N -3.86 0.00 -1.34 1.13 -2.24 -0.94 -4.98 114.28 102.06 1xa3 n THR 190 Ca -0.17 -0.42 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1xa3 n THR 190 Cb 1.00 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1xa3 n THR 190 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xa3 n GLY 191 N 1.36 1.21 3.31 3.38 0.00 0.20 -5.00 105.19 109.65 1xa3 n GLY 191 Ca -0.03 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1xa3 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xa3 s LYS 192 N -2.86 2.06 0.00 1.61 1.02 -1.26 -4.30 119.74 116.01 1xa3 s LYS 192 Ca 0.00 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.06 1xa3 s LYS 192 Cb 0.00 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 1xa3 s LYS 192 CO 0.00 0.55 0.00 0.41 -0.92 0.00 0.00 175.35 175.39 1xa3 n GLY 193 N 2.40 -1.46 3.48 -3.33 0.00 -0.08 -4.31 105.19 101.89 1xa3 n GLY 193 Ca -0.16 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 1xa3 n GLY 193 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xa3 s GLU 194 N -1.98 1.14 -0.06 1.61 2.56 -0.70 -4.96 118.70 116.30 1xa3 s GLU 194 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.97 54.99 1xa3 s GLU 194 Cb 0.00 0.53 -0.00 0.00 2.00 0.00 0.00 34.13 36.66 1xa3 s GLU 194 CO 0.00 -0.42 -0.19 0.45 -0.56 0.00 0.00 175.26 174.54 1xa3 s SER 195 N -1.79 2.44 -0.13 -1.70 0.15 -1.26 -0.40 113.70 111.02 1xa3 s SER 195 Ca -0.06 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.19 1xa3 s SER 195 Cb -0.00 -0.85 0.01 0.00 -1.71 0.00 0.00 66.02 63.47 1xa3 s SER 195 CO 0.01 0.15 -0.18 -0.63 1.20 0.00 0.00 173.24 173.79 1xa3 s ILE 196 N 0.18 1.77 -0.54 6.45 1.01 0.50 -4.98 121.20 125.60 1xa3 s ILE 196 Ca -0.09 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 1xa3 s ILE 196 Cb -0.14 -1.59 0.14 0.00 0.01 0.00 0.00 42.46 40.88 1xa3 s ILE 196 CO 0.04 0.49 0.41 -0.62 0.00 0.00 0.00 174.94 175.26 1xa3 s ASP 197 N 0.93 5.72 -0.47 3.58 2.15 -1.26 -0.23 116.67 127.08 1xa3 s ASP 197 Ca -0.06 -2.19 -0.16 0.00 0.43 0.00 0.00 52.55 50.57 1xa3 s ASP 197 Cb -0.15 -2.00 0.07 0.00 -0.30 0.00 0.00 42.92 40.54 1xa3 s ASP 197 CO -0.02 -0.61 0.40 -0.63 -0.17 0.00 0.00 175.17 174.14 1xa3 s ILE 198 N 0.94 5.22 0.00 4.11 1.09 -0.40 -4.95 121.20 127.21 1xa3 s ILE 198 Ca 0.09 -1.02 0.00 0.00 -1.10 0.00 0.00 60.65 58.62 1xa3 s ILE 198 Cb -0.23 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.05 1xa3 s ILE 198 CO -0.02 -0.58 0.00 0.00 -0.10 0.00 0.00 174.94 174.24 1xa3 n ALA 199 N 5.24 0.00 0.00 9.38 0.00 -1.26 -1.70 120.51 132.17 1xa3 n ALA 199 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xa3 n ALA 199 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1xa3 n ALA 199 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1xa3 n TYR 201 N -0.03 0.00 0.03 0.00 0.18 -1.10 -2.14 117.16 114.09 1xa3 n TYR 201 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1xa3 n TYR 201 Cb 0.00 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 38.98 1xa3 n TYR 201 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1xa3 h GLU 202 N 0.00 0.49 -0.05 -3.48 5.08 -1.94 0.02 114.58 114.70 1xa3 h GLU 202 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1xa3 h GLU 202 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xa3 h GLU 202 CO 0.00 1.00 0.00 0.28 -1.00 0.00 0.00 179.01 179.29 1xa3 n VAL 203 N -3.88 0.00 0.00 3.13 0.31 -0.91 -2.45 118.33 114.53 1xa3 n VAL 203 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1xa3 n VAL 203 Cb 0.68 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 1xa3 n VAL 203 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xa3 n LEU 205 N 0.20 0.00 -1.23 7.52 7.94 -0.01 -4.77 117.00 126.65 1xa3 n LEU 205 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1xa3 n LEU 205 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 1xa3 n LEU 205 CO 0.00 0.00 0.08 -1.14 -1.11 0.00 0.00 177.39 175.22 1xa3 n ARG 206 N 0.00 0.13 -0.15 1.96 3.00 -1.03 -3.60 116.66 116.98 1xa3 n ARG 206 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1xa3 n ARG 206 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.02 1xa3 n ARG 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xa3 n GLY 208 N 1.18 0.00 0.01 5.14 0.00 -1.26 -4.77 105.19 105.49 1xa3 n GLY 208 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1xa3 n GLY 208 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xa3 n GLN 209 N 0.00 0.08 -0.25 1.61 1.13 -1.24 -4.52 117.38 114.20 1xa3 n GLN 209 Ca 0.00 0.01 0.05 0.00 -1.94 0.00 0.00 57.00 55.12 1xa3 n GLN 209 Cb 0.00 -1.54 0.18 0.00 0.11 0.00 0.00 30.24 28.99 1xa3 n GLN 209 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1xa3 h TYR 210 N 0.00 0.50 -3.47 1.08 3.20 -1.94 -3.43 116.97 112.91 1xa3 h TYR 210 Ca 0.00 0.04 -0.72 0.00 3.14 0.00 0.00 58.73 61.19 1xa3 h TYR 210 Cb 0.57 -0.11 -0.27 0.00 1.54 0.00 0.00 36.73 38.46 1xa3 h TYR 210 CO 0.00 0.06 -0.47 -0.06 -1.64 0.00 0.00 178.16 176.06 1xa3 s PHE 211 N -6.03 3.30 0.00 -3.82 0.08 -1.26 -5.08 117.98 105.17 1xa3 s PHE 211 Ca -0.12 -1.33 0.00 0.00 0.12 0.00 0.00 56.93 55.59 1xa3 s PHE 211 Cb 0.20 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 1xa3 s PHE 211 CO 0.76 -0.80 0.00 -0.25 -0.10 0.00 0.00 175.22 174.84 1xa3 n ASP 214 N 4.96 0.00 -0.18 1.36 8.00 -1.26 -4.64 116.55 124.79 1xa3 n ASP 214 Ca -0.11 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.31 1xa3 n ASP 214 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.55 1xa3 n ASP 214 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1xa3 h TYR 215 N 0.00 0.80 0.00 1.24 3.20 -1.75 0.50 116.97 120.96 1xa3 h TYR 215 Ca 0.00 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1xa3 h TYR 215 Cb 0.00 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 1xa3 h TYR 215 CO 0.00 0.66 -0.06 0.74 -1.64 0.00 0.00 178.16 177.87 1xa3 h PHE 216 N 0.71 0.00 -0.89 -3.82 0.04 -1.89 -3.27 116.94 107.82 1xa3 h PHE 216 Ca 0.17 0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.43 1xa3 h PHE 216 Cb 0.21 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 37.93 1xa3 h PHE 216 CO 0.01 0.06 -0.86 0.09 -0.60 0.00 0.00 178.31 177.01 1xa3 n ASN 217 N -3.24 4.28 0.00 2.17 3.02 -1.00 -4.94 115.26 115.54 1xa3 n ASN 217 Ca -0.01 -3.47 0.00 0.00 -0.03 0.00 0.00 54.58 51.07 1xa3 n ASN 217 Cb 0.27 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1xa3 n ASN 217 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xa3 n GLY 218 N -0.61 0.52 0.00 7.41 0.00 -1.15 -4.95 105.19 106.41 1xa3 n GLY 218 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1xa3 n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xa3 n GLY 219 N -2.00 1.62 0.00 -0.02 0.00 0.17 -5.01 105.19 99.95 1xa3 n GLY 219 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1xa3 n GLY 219 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xa3 n GLU 220 N 0.00 0.49 -4.30 1.61 1.02 -1.26 -4.30 120.64 113.90 1xa3 n GLU 220 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1xa3 n GLU 220 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 1xa3 n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xa3 s PRO 223 N -3.00 0.39 0.00 0.00 0.05 -1.26 -5.06 135.00 126.12 1xa3 s PRO 223 Ca 0.26 0.09 0.00 0.00 0.05 0.00 0.00 61.00 61.40 1xa3 s PRO 223 Cb -0.08 -1.77 0.00 0.00 0.05 0.00 0.00 34.50 32.70 1xa3 s PRO 223 CO 0.16 -2.67 0.00 0.54 0.05 0.00 0.00 177.00 175.08 1xa3 n ARG 224 N -4.05 0.00 -3.57 4.56 1.74 -1.26 -4.74 116.66 109.34 1xa3 n ARG 224 Ca 0.10 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.99 1xa3 n ARG 224 Cb 0.59 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.89 1xa3 n ARG 224 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xa3 s SER 226 N -1.16 1.32 -1.62 0.55 0.15 -1.18 -4.51 113.70 107.25 1xa3 s SER 226 Ca 0.00 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.41 1xa3 s SER 226 Cb 0.00 0.26 0.12 0.00 -1.71 0.00 0.00 66.02 64.69 1xa3 s SER 226 CO 0.00 -0.30 0.74 0.29 1.20 0.00 0.00 173.24 175.17 1xa3 n LYS 227 N 5.32 -3.53 -1.00 5.44 5.02 -1.26 -1.62 118.16 126.53 1xa3 n LYS 227 Ca -0.05 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1xa3 n LYS 227 Cb 0.50 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.47 1xa3 n LYS 227 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xa3 n GLY 228 N -1.56 0.50 3.83 0.72 0.00 -1.26 -4.67 105.19 102.75 1xa3 n GLY 228 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1xa3 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xa3 s LYS 229 N -0.13 4.15 0.39 1.61 1.02 -0.64 -1.32 119.74 124.83 1xa3 s LYS 229 Ca 0.00 0.77 -0.27 0.00 0.02 0.00 0.00 55.97 56.49 1xa3 s LYS 229 Cb 0.00 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.44 1xa3 s LYS 229 CO 0.00 0.34 1.48 -3.47 -0.92 0.00 0.00 175.35 172.78 1xa3 n ASP 230 N 0.43 3.73 0.25 2.83 2.03 -0.23 -3.10 116.55 122.50 1xa3 n ASP 230 Ca -0.01 1.21 0.14 0.00 0.52 0.00 0.00 54.79 56.64 1xa3 n ASP 230 Cb 0.52 -1.62 0.61 0.00 -0.72 0.00 0.00 41.12 39.91 1xa3 n ASP 230 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xa3 h PRO 231 N 2.82 0.00 0.00 -0.67 0.13 -1.85 -3.36 132.00 129.07 1xa3 h PRO 231 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1xa3 h PRO 231 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xa3 h PRO 231 CO 0.63 0.11 -1.10 0.66 -0.23 0.00 0.00 178.00 178.07 1xa3 n TYR 232 N -3.28 0.00 -3.68 1.56 4.01 -1.26 -4.86 117.16 109.65 1xa3 n TYR 232 Ca -0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 1xa3 n TYR 232 Cb 0.34 -0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 39.18 1xa3 n TYR 232 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1xa3 s TYR 233 N -2.05 3.18 0.48 -0.72 2.02 -1.26 -0.51 117.35 118.49 1xa3 s TYR 233 Ca -0.01 -0.76 -0.23 0.00 -0.37 0.00 0.00 57.07 55.70 1xa3 s TYR 233 Cb 0.01 -2.34 -0.07 0.00 -0.40 0.00 0.00 41.96 39.16 1xa3 s TYR 233 CO 0.06 -0.52 1.28 0.00 -1.57 0.00 0.00 175.55 174.80 1xa3 s ALA 234 N 1.57 3.00 -0.38 3.71 0.00 -0.24 -3.07 121.76 126.35 1xa3 s ALA 234 Ca 0.03 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1xa3 s ALA 234 Cb -0.17 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1xa3 s ALA 234 CO 0.05 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1xa3 n GLY 235 N 0.61 0.64 3.11 0.00 0.00 -1.26 -4.61 105.19 103.69 1xa3 n GLY 235 Ca 0.07 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1xa3 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xa3 n GLY 237 N 3.93 0.21 3.79 0.00 0.00 -1.26 -1.06 105.19 110.79 1xa3 n GLY 237 Ca -0.20 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1xa3 n GLY 237 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xa3 s LEU 238 N 0.00 4.37 0.06 0.99 2.96 -0.43 -4.17 118.68 122.46 1xa3 s LEU 238 Ca 0.00 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1xa3 s LEU 238 Cb 0.00 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1xa3 s LEU 238 CO 0.00 0.20 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.87 1xa3 s TYR 239 N -0.34 0.64 -0.20 5.38 2.02 -0.15 -4.37 117.35 120.33 1xa3 s TYR 239 Ca 0.22 -0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 55.99 1xa3 s TYR 239 Cb -0.15 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 40.97 1xa3 s TYR 239 CO 0.10 -0.24 0.01 0.21 -1.57 0.00 0.00 175.55 174.06 1xa3 s LYS 240 N -3.31 3.64 0.39 -0.62 2.47 -1.26 -1.27 119.74 119.78 1xa3 s LYS 240 Ca 0.04 -0.51 0.06 0.00 -1.56 0.00 0.00 55.97 54.00 1xa3 s LYS 240 Cb 0.03 -3.10 0.07 0.00 -1.46 0.00 0.00 37.83 33.36 1xa3 s LYS 240 CO -0.06 0.01 0.54 0.00 0.16 0.00 0.00 175.35 176.01 1xa3 h ALA 242 N 0.18 1.09 -0.08 0.00 0.00 -1.23 -3.27 119.26 115.94 1xa3 h ALA 242 Ca -0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1xa3 h ALA 242 Cb 0.82 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xa3 h ALA 242 CO 0.25 0.39 -0.34 -0.40 0.00 0.00 0.00 179.25 179.15 1xa3 n ASP 243 N -4.55 2.00 0.00 0.00 5.75 -1.26 -5.04 116.55 113.44 1xa3 n ASP 243 Ca 0.10 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.11 1xa3 n ASP 243 Cb 0.07 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 1xa3 n ASP 243 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xa3 n GLY 244 N -1.14 -1.29 3.91 6.12 0.00 -1.24 -4.90 105.19 106.66 1xa3 n GLY 244 Ca 0.22 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1xa3 n GLY 244 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xa3 s TYR 245 N -1.64 3.51 0.12 1.61 2.02 -1.26 -0.55 117.35 121.15 1xa3 s TYR 245 Ca 0.00 0.37 0.04 0.00 -0.37 0.00 0.00 57.07 57.11 1xa3 s TYR 245 Cb 0.00 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 1xa3 s TYR 245 CO 0.00 0.54 -0.09 -1.50 -1.57 0.00 0.00 175.55 172.93 1xa3 s ILE 246 N -1.54 1.01 0.52 2.71 2.07 -0.40 -1.64 121.20 123.93 1xa3 s ILE 246 Ca 0.36 -1.93 0.05 0.00 -1.41 0.00 0.00 60.65 57.73 1xa3 s ILE 246 Cb -0.13 -1.69 0.03 0.00 0.13 0.00 0.00 42.46 40.80 1xa3 s ILE 246 CO 0.26 -0.72 0.36 0.68 -1.91 0.00 0.00 174.94 173.60 1xa3 s VAL 247 N -3.16 1.73 -0.29 4.00 -7.23 -0.53 -0.98 120.40 113.93 1xa3 s VAL 247 Ca 0.13 -1.53 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1xa3 s VAL 247 Cb 0.02 -2.26 0.20 0.00 0.56 0.00 0.00 36.38 34.90 1xa3 s VAL 247 CO -0.01 0.00 0.71 -1.61 -0.31 0.00 0.00 175.10 173.88 1xa3 s GLU 249 N -4.22 0.46 -1.07 4.82 0.41 -0.52 -1.72 118.70 116.86 1xa3 s GLU 249 Ca 0.33 0.43 -0.22 0.00 -0.41 0.00 0.00 54.97 55.10 1xa3 s GLU 249 Cb -0.02 0.20 0.06 0.00 -1.78 0.00 0.00 34.13 32.59 1xa3 s GLU 249 CO 0.20 -0.85 1.49 -1.17 -0.49 0.00 0.00 175.26 174.45 1xa3 s LEU 250 N 2.84 3.67 -0.06 1.80 2.96 -0.46 -4.02 118.68 125.41 1xa3 s LEU 250 Ca 0.15 -1.70 0.01 0.00 -0.22 0.00 0.00 54.13 52.36 1xa3 s LEU 250 Cb -0.08 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.07 1xa3 s LEU 250 CO -0.25 -1.41 -0.05 -0.69 -1.32 0.00 0.00 176.35 172.63 1xa3 s VAL 251 N 4.66 0.62 0.00 1.68 1.01 -1.26 -4.64 120.40 122.47 1xa3 s VAL 251 Ca 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1xa3 s VAL 251 Cb 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1xa3 s VAL 251 CO -0.06 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1xa3 n GLY 252 N 4.26 3.37 0.18 4.51 0.00 -0.04 -4.70 105.19 112.78 1xa3 n GLY 252 Ca -0.21 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 1xa3 n GLY 252 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xa3 h ILE 253 N 0.04 0.75 -0.50 -0.61 2.04 -1.82 -2.23 117.51 115.17 1xa3 h ILE 253 Ca 0.00 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 1xa3 h ILE 253 Cb 0.00 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1xa3 h ILE 253 CO 0.00 0.05 -0.12 0.74 0.00 0.00 0.00 178.15 178.82 1xa3 h THR 254 N -0.50 1.27 -0.51 -0.27 2.02 -1.93 -2.06 112.91 110.93 1xa3 h THR 254 Ca -0.04 -1.25 0.07 0.00 0.77 0.00 0.00 66.41 65.96 1xa3 h THR 254 Cb 0.37 1.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1xa3 h THR 254 CO 0.06 0.44 0.18 1.56 0.37 0.00 0.00 175.52 178.13 1xa3 h GLN 255 N 0.84 0.34 -0.32 6.66 7.50 -1.77 0.10 115.11 128.47 1xa3 h GLN 255 Ca 0.13 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.16 1xa3 h GLN 255 Cb 0.66 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 1xa3 h GLN 255 CO 0.05 0.23 -0.20 0.82 -1.50 0.00 0.00 178.83 178.22 1xa3 h ILE 256 N 0.35 1.29 -0.20 2.54 2.04 -1.13 -1.03 117.51 121.38 1xa3 h ILE 256 Ca 0.25 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1xa3 h ILE 256 Cb 0.27 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1xa3 h ILE 256 CO -0.26 0.43 0.08 -0.33 0.00 0.00 0.00 178.15 178.08 1xa3 h GLU 257 N 0.46 0.30 -0.26 2.37 5.08 -0.97 -1.05 114.58 120.51 1xa3 h GLU 257 Ca 0.06 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1xa3 h GLU 257 Cb 0.75 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1xa3 h GLU 257 CO 0.06 0.36 -0.51 0.93 -1.00 0.00 0.00 179.01 178.85 1xa3 h GLU 258 N 0.17 0.74 -0.55 2.33 4.39 -0.80 -2.11 114.58 118.74 1xa3 h GLU 258 Ca 0.07 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1xa3 h GLU 258 Cb 0.18 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1xa3 h GLU 258 CO -0.01 1.07 0.26 0.00 -1.16 0.00 0.00 179.01 179.17 1xa3 h PHE 260 N 0.75 0.99 -0.29 0.00 -1.00 -1.04 -2.09 116.94 114.26 1xa3 h PHE 260 Ca 0.19 -0.10 0.04 0.00 2.81 0.00 0.00 57.97 60.91 1xa3 h PHE 260 Cb 0.14 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.37 1xa3 h PHE 260 CO -0.00 0.82 0.04 0.87 -1.61 0.00 0.00 178.31 178.42 1xa3 h LYS 261 N 0.91 0.13 -0.51 1.51 1.57 -1.21 -0.57 116.57 118.40 1xa3 h LYS 261 Ca 0.20 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1xa3 h LYS 261 Cb 0.33 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1xa3 h LYS 261 CO 0.00 0.09 0.28 -0.44 -0.57 0.00 0.00 179.45 178.81 1xa3 h ASP 262 N 0.13 0.42 0.32 0.86 3.32 -1.03 -3.21 116.42 117.25 1xa3 h ASP 262 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xa3 h ASP 262 Cb 0.16 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1xa3 h ASP 262 CO -0.20 0.30 -0.28 2.30 -1.72 0.00 0.00 179.24 179.64 1xa3 n ILE 263 N -4.85 0.00 0.00 0.35 -5.35 -0.84 -4.93 119.36 103.75 1xa3 n ILE 263 Ca 0.04 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1xa3 n ILE 263 Cb 0.11 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 1xa3 n ILE 263 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xa3 n GLY 264 N 1.37 1.45 0.41 3.28 0.00 -0.98 -4.81 105.19 105.91 1xa3 n GLY 264 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1xa3 n GLY 264 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xa3 n LEU 265 N 0.00 1.79 -0.27 0.99 4.77 -0.26 -4.76 117.00 119.27 1xa3 n LEU 265 Ca 0.00 -2.71 0.21 0.00 -0.03 0.00 0.00 56.01 53.48 1xa3 n LEU 265 Cb 0.00 -0.32 0.52 0.00 -2.33 0.00 0.00 43.42 41.29 1xa3 n LEU 265 CO 0.00 0.74 1.23 0.00 -1.33 0.00 0.00 177.39 178.03 1xa3 h ALA 266 N 0.31 2.26 0.00 -1.18 0.00 -1.79 -1.45 119.26 117.40 1xa3 h ALA 266 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xa3 h ALA 266 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xa3 h ALA 266 CO 0.01 -0.58 0.00 1.12 0.00 0.00 0.00 179.25 179.80 1xa3 h HIS 267 N 0.38 0.00 0.00 0.00 2.07 -1.91 -2.53 115.15 113.16 1xa3 h HIS 267 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 1xa3 h HIS 267 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 1xa3 h HIS 267 CO -0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 1xa3 h LEU 268 N 0.00 0.00 -9.65 6.12 3.38 -1.65 -3.45 115.31 110.06 1xa3 h LEU 268 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1xa3 h LEU 268 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xa3 h LEU 268 CO 0.00 0.00 0.53 -0.76 0.09 0.00 0.00 178.44 178.30 1xa3 s LEU 269 N -5.40 4.46 0.00 1.67 1.43 -0.96 -2.84 118.68 117.04 1xa3 s LEU 269 Ca 0.09 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1xa3 s LEU 269 Cb 0.09 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1xa3 s LEU 269 CO 0.63 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1xa3 n GLY 270 N 2.22 0.79 3.88 -3.19 0.00 -0.84 -5.00 105.19 103.04 1xa3 n GLY 270 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1xa3 n GLY 270 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xa3 s THR 271 N -3.10 4.30 0.58 2.61 -4.23 -1.13 -4.74 115.64 109.92 1xa3 s THR 271 Ca 0.00 0.58 0.28 0.00 -1.18 0.00 0.00 61.69 61.37 1xa3 s THR 271 Cb 0.00 -3.72 0.37 0.00 1.34 0.00 0.00 72.50 70.49 1xa3 s THR 271 CO 0.00 -0.89 2.04 -0.65 -0.54 0.00 0.00 174.62 174.58 1xa3 h PRO 272 N -0.31 0.00 0.06 3.99 0.11 -1.97 -1.62 132.00 132.25 1xa3 h PRO 272 Ca -0.45 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.42 1xa3 h PRO 272 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1xa3 h PRO 272 CO 0.62 0.00 -1.12 0.93 -0.21 0.00 0.00 178.00 178.22 1xa3 h GLU 273 N 0.00 0.12 -2.18 1.05 3.07 -1.92 -3.38 114.58 111.34 1xa3 h GLU 273 Ca 0.13 -0.21 -0.58 0.00 -0.50 0.00 0.00 59.36 58.21 1xa3 h GLU 273 Cb 0.70 0.08 -0.39 0.00 -0.84 0.00 0.00 28.75 28.30 1xa3 h GLU 273 CO -0.00 1.10 -0.99 -0.89 -1.40 0.00 0.00 179.01 176.82 1xa3 n ILE 274 N -3.43 -0.41 -1.29 3.13 5.41 -0.96 -4.91 119.36 116.90 1xa3 n ILE 274 Ca -0.04 -4.01 -0.31 0.00 1.00 0.00 0.00 62.75 59.39 1xa3 n ILE 274 Cb 0.98 -1.90 0.09 0.00 -0.71 0.00 0.00 39.64 38.11 1xa3 n ILE 274 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xa3 s PRO 275 N -0.98 2.17 0.13 0.38 0.04 -0.65 -1.99 135.00 134.09 1xa3 s PRO 275 Ca 0.34 1.08 -0.35 0.00 0.04 0.00 0.00 61.00 62.12 1xa3 s PRO 275 Cb 0.12 -1.89 -0.16 0.00 0.04 0.00 0.00 34.50 32.61 1xa3 s PRO 275 CO -0.13 -1.68 1.29 -1.91 0.04 0.00 0.00 177.00 174.61 1xa3 n GLU 276 N -3.54 1.25 -0.35 4.56 2.13 -1.26 -2.20 120.64 121.23 1xa3 n GLU 276 Ca 0.09 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1xa3 n GLU 276 Cb 0.53 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1xa3 n GLU 276 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xa3 n GLY 277 N 2.36 0.81 3.70 8.31 0.00 -1.26 -5.04 105.19 114.08 1xa3 n GLY 277 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1xa3 n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xa3 s THR 278 N -2.07 3.55 -0.39 2.61 2.01 -0.93 -4.88 115.64 115.53 1xa3 s THR 278 Ca 0.00 1.05 0.04 0.00 0.31 0.00 0.00 61.69 63.09 1xa3 s THR 278 Cb 0.00 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1xa3 s THR 278 CO 0.00 0.05 0.49 0.00 -0.69 0.00 0.00 174.62 174.46 1xa3 n GLN 279 N 4.55 1.34 -3.65 4.92 10.64 -1.26 -4.00 117.38 129.92 1xa3 n GLN 279 Ca 0.12 -0.52 -0.05 0.00 -1.83 0.00 0.00 57.00 54.72 1xa3 n GLN 279 Cb 0.43 -0.96 -0.06 0.00 -0.86 0.00 0.00 30.24 28.80 1xa3 n GLN 279 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1xa3 s LEU 280 N -0.84 -1.00 -0.23 2.61 2.96 -1.26 -0.86 118.68 120.04 1xa3 s LEU 280 Ca 0.04 1.52 -0.16 0.00 -0.22 0.00 0.00 54.13 55.30 1xa3 s LEU 280 Cb 0.03 2.31 -0.04 0.00 0.50 0.00 0.00 46.19 48.99 1xa3 s LEU 280 CO 0.07 -0.23 0.42 -0.63 -1.32 0.00 0.00 176.35 174.67 1xa3 s ILE 281 N 2.18 5.16 -0.29 6.68 1.01 -1.26 -5.05 121.20 129.62 1xa3 s ILE 281 Ca -0.08 0.72 -0.20 0.00 0.00 0.00 0.00 60.65 61.09 1xa3 s ILE 281 Cb -0.08 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1xa3 s ILE 281 CO -0.19 0.18 0.61 -2.28 0.00 0.00 0.00 174.94 173.26 1xa3 s HIS 282 N 1.77 3.23 0.10 3.97 2.46 -1.26 -1.08 115.29 124.48 1xa3 s HIS 282 Ca 0.18 0.62 0.26 0.00 0.47 0.00 0.00 55.06 56.60 1xa3 s HIS 282 Cb -0.15 -2.92 0.99 0.00 -0.13 0.00 0.00 32.58 30.37 1xa3 s HIS 282 CO 0.09 -0.42 1.85 0.07 -2.47 0.00 0.00 174.74 173.86 1xa3 h ARG 283 N 8.11 0.00 0.00 2.88 0.11 -1.11 -1.34 114.38 123.03 1xa3 h ARG 283 Ca -0.27 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.67 1xa3 h ARG 283 Cb 1.12 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 1xa3 h ARG 283 CO 0.78 0.17 -0.91 0.82 0.10 0.00 0.00 179.97 180.93 1xa3 h ILE 284 N 0.00 0.60 -0.25 0.08 1.08 -1.90 -3.36 117.51 113.77 1xa3 h ILE 284 Ca -0.00 -1.74 -0.02 0.00 -0.39 0.00 0.00 64.86 62.71 1xa3 h ILE 284 Cb 0.71 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1xa3 h ILE 284 CO 0.02 0.20 0.07 -0.33 -0.69 0.00 0.00 178.15 177.42 1xa3 h GLU 285 N -1.00 0.35 -5.77 2.37 5.08 -1.93 -3.40 114.58 110.28 1xa3 h GLU 285 Ca -0.20 -0.04 -0.60 0.00 -1.00 0.00 0.00 59.36 57.51 1xa3 h GLU 285 Cb 0.97 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.06 1xa3 h GLU 285 CO -0.12 0.32 0.41 0.00 -1.00 0.00 0.00 179.01 178.62 1xa3 h PRO 287 N 8.02 0.00 -0.08 0.00 0.11 -1.85 -1.72 132.00 136.47 1xa3 h PRO 287 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1xa3 h PRO 287 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xa3 h PRO 287 CO 0.88 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.33 1xa3 n TYR 288 N -3.81 0.09 -0.26 0.65 4.01 -1.26 -4.49 117.16 112.09 1xa3 n TYR 288 Ca 0.02 -0.05 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 1xa3 n TYR 288 Cb 0.33 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.27 1xa3 n TYR 288 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1xa3 h GLY 289 N 4.94 -0.89 1.14 2.72 0.00 -1.45 -0.26 103.07 109.28 1xa3 h GLY 289 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 47.33 48.09 1xa3 h GLY 289 CO 0.00 -0.05 0.54 -2.55 0.00 0.00 0.00 176.54 174.47 1xa3 h PRO 290 N -0.22 1.02 -0.67 4.80 0.11 -1.79 -2.24 132.00 133.02 1xa3 h PRO 290 Ca 0.12 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 1xa3 h PRO 290 Cb 0.52 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 1xa3 h PRO 290 CO -0.75 0.68 0.19 1.25 -0.21 0.00 0.00 178.00 179.16 1xa3 h LEU 291 N 1.06 0.96 -0.39 2.35 5.85 -1.68 -1.51 115.31 121.95 1xa3 h LEU 291 Ca 0.31 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1xa3 h LEU 291 Cb -0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1xa3 h LEU 291 CO -0.08 0.91 0.23 0.58 -0.34 0.00 0.00 178.44 179.74 1xa3 h VAL 292 N 0.99 1.05 -0.40 1.05 2.07 -0.49 -1.34 116.25 119.18 1xa3 h VAL 292 Ca 0.22 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 1xa3 h VAL 292 Cb 0.31 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1xa3 h VAL 292 CO -0.00 0.09 -0.08 -0.33 0.02 0.00 0.00 177.57 177.26 1xa3 h GLU 293 N 0.47 0.69 -0.22 1.57 4.39 -1.25 0.70 114.58 120.93 1xa3 h GLU 293 Ca 0.15 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1xa3 h GLU 293 Cb -0.01 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1xa3 h GLU 293 CO -0.06 0.76 0.12 1.49 -1.16 0.00 0.00 179.01 180.16 1xa3 h GLU 294 N 0.63 0.31 -0.17 2.33 4.81 -0.78 -0.10 114.58 121.63 1xa3 h GLU 294 Ca 0.12 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.09 1xa3 h GLU 294 Cb 0.52 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1xa3 h GLU 294 CO 0.03 0.29 -0.76 0.87 -0.73 0.00 0.00 179.01 178.71 1xa3 h LYS 295 N 0.26 0.81 -0.03 1.92 1.79 -1.06 -1.80 116.57 118.45 1xa3 h LYS 295 Ca 0.08 -0.65 0.02 0.00 -2.18 0.00 0.00 60.65 57.93 1xa3 h LYS 295 Cb 0.07 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1xa3 h LYS 295 CO -0.01 1.26 -0.12 1.25 -1.08 0.00 0.00 179.45 180.74 1xa3 h LEU 296 N 0.55 -0.37 -0.85 2.94 5.85 -0.83 -1.55 115.31 121.05 1xa3 h LEU 296 Ca -0.05 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1xa3 h LEU 296 Cb 1.39 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.52 1xa3 h LEU 296 CO 0.16 -0.17 0.51 0.44 -0.34 0.00 0.00 178.44 179.03 1xa3 h ASP 297 N -0.20 0.76 -0.31 1.25 3.32 -0.88 -1.27 116.42 119.09 1xa3 h ASP 297 Ca 0.06 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1xa3 h ASP 297 Cb 0.27 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1xa3 h ASP 297 CO -0.15 0.46 -0.09 0.00 -1.72 0.00 0.00 179.24 177.74 1xa3 h ALA 298 N 1.44 0.43 -0.18 3.45 0.00 -1.06 -1.23 119.26 122.12 1xa3 h ALA 298 Ca 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xa3 h ALA 298 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xa3 h ALA 298 CO -0.22 0.28 0.03 2.35 0.00 0.00 0.00 179.25 181.69 1xa3 h TRP 299 N 0.39 0.31 -0.41 0.00 7.01 -1.07 -3.09 115.95 119.10 1xa3 h TRP 299 Ca 0.08 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 1xa3 h TRP 299 Cb 0.59 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 1xa3 h TRP 299 CO 0.05 0.46 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.06 1xa3 h LEU 300 N 0.08 0.64 -2.13 0.65 3.38 -1.19 -2.99 115.31 113.75 1xa3 h LEU 300 Ca 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xa3 h LEU 300 Cb 0.31 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xa3 h LEU 300 CO 0.00 0.73 -0.03 0.00 0.09 0.00 0.00 178.44 179.23 1xa3 h ALA 301 N 1.35 1.05 -0.12 1.53 0.00 -1.13 -2.55 119.26 119.38 1xa3 h ALA 301 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xa3 h ALA 301 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xa3 h ALA 301 CO 0.02 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.55 1xa3 n THR 302 N -3.20 0.14 -4.57 0.00 -2.24 -1.13 -3.45 114.28 99.84 1xa3 n THR 302 Ca -0.01 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 61.00 1xa3 n THR 302 Cb 0.20 1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 69.37 1xa3 n THR 302 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xa3 s HIS 303 N -1.86 2.12 0.75 4.78 4.02 -0.96 -4.93 115.29 119.21 1xa3 s HIS 303 Ca 0.33 -0.40 -0.12 0.00 1.02 0.00 0.00 55.06 55.90 1xa3 s HIS 303 Cb 0.21 -1.21 0.04 0.00 -1.02 0.00 0.00 32.58 30.60 1xa3 s HIS 303 CO 0.31 0.21 1.10 0.95 1.02 0.00 0.00 174.74 178.33 1xa3 s THR 304 N -0.95 3.19 0.16 1.30 -4.23 -1.26 -1.38 115.64 112.46 1xa3 s THR 304 Ca 0.11 0.39 -0.15 0.00 -1.18 0.00 0.00 61.69 60.85 1xa3 s THR 304 Cb -0.10 -3.27 0.05 0.00 1.34 0.00 0.00 72.50 70.52 1xa3 s THR 304 CO 0.04 -0.50 1.74 0.40 -0.54 0.00 0.00 174.62 175.75 1xa3 h ILE 305 N -0.88 0.85 -0.98 2.99 1.08 -1.92 -0.80 117.51 117.86 1xa3 h ILE 305 Ca -0.46 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 63.97 1xa3 h ILE 305 Cb 1.27 0.56 -0.06 0.00 -3.07 0.00 0.00 36.82 35.51 1xa3 h ILE 305 CO 0.62 0.05 0.64 0.00 -0.69 0.00 0.00 178.15 178.77 1xa3 h ALA 306 N 1.27 1.39 -0.30 1.87 0.00 -1.99 0.28 119.26 121.77 1xa3 h ALA 306 Ca 0.19 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1xa3 h ALA 306 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xa3 h ALA 306 CO -0.21 0.50 -0.15 0.93 0.00 0.00 0.00 179.25 180.32 1xa3 h GLU 307 N 1.20 0.64 -0.37 0.00 5.08 -1.80 -2.04 114.58 117.29 1xa3 h GLU 307 Ca 0.40 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1xa3 h GLU 307 Cb 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xa3 h GLU 307 CO -0.14 0.86 0.12 0.28 -1.00 0.00 0.00 179.01 179.13 1xa3 h VAL 308 N 0.39 1.21 -0.65 3.13 2.07 -0.49 -1.74 116.25 120.18 1xa3 h VAL 308 Ca 0.07 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1xa3 h VAL 308 Cb 0.67 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1xa3 h VAL 308 CO 0.04 0.24 0.35 0.11 0.02 0.00 0.00 177.57 178.34 1xa3 h LYS 309 N 0.45 0.89 -0.25 1.57 1.57 -0.96 0.41 116.57 120.25 1xa3 h LYS 309 Ca 0.12 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1xa3 h LYS 309 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1xa3 h LYS 309 CO -0.00 0.66 -0.12 1.49 -0.57 0.00 0.00 179.45 180.90 1xa3 h GLU 310 N 0.90 0.53 -0.24 3.15 4.81 -1.11 -1.21 114.58 121.41 1xa3 h GLU 310 Ca 0.23 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1xa3 h GLU 310 Cb 0.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1xa3 h GLU 310 CO -0.04 0.79 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.89 1xa3 h ARG 311 N 0.25 0.45 -0.29 1.92 9.65 -0.98 -2.71 114.38 122.66 1xa3 h ARG 311 Ca 0.06 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1xa3 h ARG 311 Cb 0.63 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 1xa3 h ARG 311 CO 0.04 0.68 0.14 0.74 2.80 0.00 0.00 179.97 184.37 1xa3 h PHE 312 N 0.20 0.38 -0.42 2.20 -1.00 -0.93 0.37 116.94 117.74 1xa3 h PHE 312 Ca 0.06 -0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 1xa3 h PHE 312 Cb 0.51 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1xa3 h PHE 312 CO 0.05 0.29 0.06 0.00 -1.61 0.00 0.00 178.31 177.10 1xa3 h ALA 313 N 1.76 0.56 -0.83 2.45 0.00 -1.11 0.82 119.26 122.91 1xa3 h ALA 313 Ca 0.10 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1xa3 h ALA 313 Cb 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1xa3 h ALA 313 CO -0.01 0.28 0.53 0.93 0.00 0.00 0.00 179.25 180.98 1xa3 h GLU 314 N 0.55 0.99 -0.01 0.00 5.08 -1.01 -2.88 114.58 117.30 1xa3 h GLU 314 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xa3 h GLU 314 Cb 0.39 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1xa3 h GLU 314 CO 0.01 0.65 0.00 1.28 -1.00 0.00 0.00 179.01 179.95 1xa3 n LEU 315 N -4.58 1.05 -3.37 1.33 4.77 0.04 -4.95 117.00 111.29 1xa3 n LEU 315 Ca 0.11 -0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 1xa3 n LEU 315 Cb 0.11 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1xa3 n LEU 315 CO 0.33 0.18 0.10 0.59 -1.33 0.00 0.00 177.39 177.26 1xa3 n ASN 316 N -0.17 -5.88 -4.59 -1.43 3.02 0.09 -4.50 115.26 101.79 1xa3 n ASN 316 Ca 0.20 -0.45 -0.39 0.00 -0.03 0.00 0.00 54.58 53.92 1xa3 n ASN 316 Cb 0.28 -4.70 -0.10 0.00 -0.61 0.00 0.00 39.78 34.65 1xa3 n ASN 316 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xa3 s ILE 317 N -3.23 5.25 0.18 2.41 1.01 -0.07 -4.93 121.20 121.82 1xa3 s ILE 317 Ca 0.46 0.31 -0.32 0.00 0.00 0.00 0.00 60.65 61.10 1xa3 s ILE 317 Cb -0.21 -3.62 -0.11 0.00 0.01 0.00 0.00 42.46 38.53 1xa3 s ILE 317 CO 0.57 0.18 1.65 0.00 0.00 0.00 0.00 174.94 177.35 1xa3 s ALA 318 N 1.90 3.85 0.18 9.38 0.00 -1.26 -4.51 121.76 131.30 1xa3 s ALA 318 Ca 0.10 1.47 -0.23 0.00 0.00 0.00 0.00 51.96 53.31 1xa3 s ALA 318 Cb -0.16 -3.67 0.06 0.00 0.00 0.00 0.00 23.12 19.35 1xa3 s ALA 318 CO 0.11 -0.87 0.73 0.00 0.00 0.00 0.00 175.76 175.73 1xa3 s ALA 320 N -3.65 -1.51 0.35 0.00 0.00 -0.70 -5.00 121.76 111.24 1xa3 s ALA 320 Ca 0.07 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 1xa3 s ALA 320 Cb -0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 23.12 22.46 1xa3 s ALA 320 CO -0.03 -0.31 1.52 0.21 0.00 0.00 0.00 175.76 177.15 1xa3 s LYS 321 N -0.41 4.11 -0.48 0.00 2.20 -1.26 -1.46 119.74 122.44 1xa3 s LYS 321 Ca -0.06 2.58 -0.28 0.00 -0.36 0.00 0.00 55.97 57.85 1xa3 s LYS 321 Cb -0.03 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1xa3 s LYS 321 CO 0.04 -0.57 1.55 0.08 -0.36 0.00 0.00 175.35 176.10 1xa3 s VAL 322 N -0.74 3.69 0.23 4.02 1.01 -0.65 -4.84 120.40 123.12 1xa3 s VAL 322 Ca 0.56 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1xa3 s VAL 322 Cb -0.47 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.68 1xa3 s VAL 322 CO 0.58 -0.86 1.03 -0.76 0.00 0.00 0.00 175.10 175.09 1xa3 s LEU 323 N 6.48 4.57 0.48 3.92 1.43 -1.26 -4.79 118.68 129.51 1xa3 s LEU 323 Ca 0.63 2.08 -0.07 0.00 -1.03 0.00 0.00 54.13 55.73 1xa3 s LEU 323 Cb -0.14 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 1xa3 s LEU 323 CO 0.28 -0.04 0.81 0.42 0.23 0.00 0.00 176.35 178.05 1xa3 s THR 324 N -0.90 4.86 0.24 5.49 -4.23 -1.26 -5.01 115.64 114.83 1xa3 s THR 324 Ca 0.44 0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 61.29 1xa3 s THR 324 Cb -0.29 -3.83 0.20 0.00 1.34 0.00 0.00 72.50 69.93 1xa3 s THR 324 CO 0.36 -0.79 1.77 0.58 -0.54 0.00 0.00 174.62 175.99 1xa3 h VAL 325 N 0.40 0.78 0.00 2.29 2.07 -2.03 -1.05 116.25 118.71 1xa3 h VAL 325 Ca -0.47 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1xa3 h VAL 325 Cb 1.20 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1xa3 h VAL 325 CO 0.62 0.11 0.00 -0.65 0.02 0.00 0.00 177.57 177.67 1xa3 h PRO 326 N 0.59 0.00 -0.01 1.57 0.11 -2.04 -2.75 132.00 129.47 1xa3 h PRO 326 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1xa3 h PRO 326 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1xa3 h PRO 326 CO -0.32 0.00 -0.38 0.39 -0.21 0.00 0.00 178.00 177.48 1xa3 n GLU 327 N -2.39 0.53 -0.04 1.05 1.02 -0.40 -4.48 120.64 115.93 1xa3 n GLU 327 Ca -0.01 -0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 56.66 1xa3 n GLU 327 Cb 0.06 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 1xa3 n GLU 327 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1xa3 h LEU 328 N 0.79 0.40 -1.43 -4.62 3.38 -1.58 -3.20 115.31 109.05 1xa3 h LEU 328 Ca 0.00 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 1xa3 h LEU 328 Cb 0.51 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1xa3 h LEU 328 CO 0.00 0.92 -0.18 -0.33 0.09 0.00 0.00 178.44 178.94 1xa3 h GLU 329 N -0.10 0.15 -0.02 1.13 5.08 -1.80 -1.86 114.58 117.17 1xa3 h GLU 329 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xa3 h GLU 329 Cb 0.87 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1xa3 h GLU 329 CO 0.06 0.34 -0.08 -1.13 -1.00 0.00 0.00 179.01 177.19 1xa3 n SER 330 N -4.26 2.17 -4.72 1.42 3.41 -1.25 -4.53 113.62 105.86 1xa3 n SER 330 Ca -0.01 -1.66 -0.42 0.00 -0.26 0.00 0.00 58.87 56.51 1xa3 n SER 330 Cb 0.29 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1xa3 n SER 330 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xa3 s ASN 331 N -2.10 6.60 0.31 4.04 3.84 -0.70 -4.86 114.94 122.07 1xa3 s ASN 331 Ca 0.30 2.62 0.05 0.00 0.21 0.00 0.00 52.86 56.04 1xa3 s ASN 331 Cb 0.20 -2.60 0.70 0.00 -0.55 0.00 0.00 41.25 39.01 1xa3 s ASN 331 CO 0.36 -0.81 1.82 -0.65 -2.79 0.00 0.00 177.10 175.04 1xa3 h PRO 332 N 6.54 0.80 -0.41 0.43 0.11 -1.92 -0.81 132.00 136.74 1xa3 h PRO 332 Ca -0.43 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1xa3 h PRO 332 Cb 1.21 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1xa3 h PRO 332 CO 0.89 0.53 -0.02 0.37 -0.21 0.00 0.00 178.00 179.56 1xa3 h GLN 333 N 0.82 0.74 -0.48 1.05 5.75 -1.95 -0.58 115.11 120.47 1xa3 h GLN 333 Ca 0.52 -0.25 0.06 0.00 -0.15 0.00 0.00 58.65 58.83 1xa3 h GLN 333 Cb 0.73 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.17 1xa3 h GLN 333 CO -0.30 0.83 0.20 1.88 -2.65 0.00 0.00 178.83 178.79 1xa3 h TYR 334 N 0.57 0.35 -0.05 3.99 -1.99 -1.70 -1.97 116.97 116.17 1xa3 h TYR 334 Ca 0.11 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1xa3 h TYR 334 Cb 0.51 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.15 1xa3 h TYR 334 CO 0.04 0.14 0.02 0.28 -0.00 0.00 0.00 178.16 178.64 1xa3 h VAL 335 N 0.39 1.12 -0.68 -2.88 2.07 -1.00 -1.02 116.25 114.25 1xa3 h VAL 335 Ca 0.22 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1xa3 h VAL 335 Cb 0.20 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1xa3 h VAL 335 CO -0.20 0.10 0.45 0.00 0.02 0.00 0.00 177.57 177.93 1xa3 h ALA 336 N 0.89 1.52 -0.13 1.67 0.00 -0.96 -2.76 119.26 119.49 1xa3 h ALA 336 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xa3 h ALA 336 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xa3 h ALA 336 CO -0.00 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.24 1xa3 n ARG 337 N -4.43 2.20 -3.93 0.00 1.74 -0.76 -4.96 116.66 106.53 1xa3 n ARG 337 Ca 0.07 -1.77 -0.28 0.00 -0.77 0.00 0.00 57.85 55.10 1xa3 n ARG 337 Cb 0.04 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1xa3 n ARG 337 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xa3 n GLU 338 N 1.09 -4.34 0.17 5.56 1.02 -0.47 -4.85 120.64 118.82 1xa3 n GLU 338 Ca 0.16 0.51 0.01 0.00 -0.02 0.00 0.00 57.16 57.82 1xa3 n GLU 338 Cb 0.53 -5.08 0.30 0.00 -0.02 0.00 0.00 31.44 27.17 1xa3 n GLU 338 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1xa3 h SER 339 N -1.86 0.01 -3.31 1.62 0.02 -1.63 -3.39 113.55 105.01 1xa3 h SER 339 Ca -0.60 -0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 59.67 1xa3 h SER 339 Cb 1.37 -0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.60 1xa3 h SER 339 CO 0.65 0.46 -0.83 -0.63 -1.14 0.00 0.00 176.83 175.33 1xa3 s ILE 340 N -4.02 2.43 0.10 3.27 1.01 -1.26 -1.55 121.20 121.18 1xa3 s ILE 340 Ca -0.02 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1xa3 s ILE 340 Cb 0.14 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1xa3 s ILE 340 CO 0.74 0.54 0.05 1.07 0.00 0.00 0.00 174.94 177.34 1xa3 n THR 341 N 3.66 0.00 -4.11 2.92 5.66 0.24 -4.86 114.28 117.79 1xa3 n THR 341 Ca -0.19 -0.62 -0.14 0.00 -3.05 0.00 0.00 64.05 60.06 1xa3 n THR 341 Cb 0.53 0.26 -0.11 0.00 -1.55 0.00 0.00 70.33 69.45 1xa3 n THR 341 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1xa3 s GLN 342 N -2.38 0.66 0.25 1.09 -0.21 -1.26 -1.20 119.66 116.61 1xa3 s GLN 342 Ca 0.07 -0.92 -0.13 0.00 0.02 0.00 0.00 55.36 54.41 1xa3 s GLN 342 Cb 0.00 -0.40 -0.00 0.00 1.00 0.00 0.00 33.01 33.61 1xa3 s GLN 342 CO 0.05 0.07 0.49 1.67 -2.12 0.00 0.00 175.29 175.45 1xa3 s TRP 343 N -1.80 0.35 -0.15 0.91 -2.14 -0.16 -4.98 118.94 110.98 1xa3 s TRP 343 Ca -0.04 -0.72 -0.14 0.00 2.66 0.00 0.00 56.10 57.87 1xa3 s TRP 343 Cb -0.07 0.21 -0.05 0.00 -3.10 0.00 0.00 33.47 30.46 1xa3 s TRP 343 CO 0.00 -1.01 0.31 -0.65 -2.66 0.00 0.00 176.95 172.94 1xa3 s GLN 344 N -3.99 4.22 0.00 3.25 -1.52 -1.26 0.11 119.66 120.47 1xa3 s GLN 344 Ca 0.22 0.13 0.00 0.00 -1.95 0.00 0.00 55.36 53.76 1xa3 s GLN 344 Cb -0.01 -3.41 0.00 0.00 -0.22 0.00 0.00 33.01 29.37 1xa3 s GLN 344 CO 0.09 0.27 0.00 0.25 -0.25 0.00 0.00 175.29 175.65 1xa3 n THR 345 N 3.44 0.00 -0.03 -0.19 -2.24 0.63 -4.03 114.28 111.86 1xa3 n THR 345 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1xa3 n THR 345 Cb 0.52 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1xa3 n THR 345 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xa3 n ASP 347 N 0.00 0.00 -0.41 3.42 5.68 -1.26 -4.27 116.55 119.70 1xa3 n ASP 347 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.24 1xa3 n ASP 347 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1xa3 n ASP 347 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xa3 n GLY 348 N 0.00 0.64 3.92 6.12 0.00 -1.26 -5.05 105.19 109.55 1xa3 n GLY 348 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1xa3 n GLY 348 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xa3 s ARG 349 N -2.79 3.44 -0.01 1.61 0.52 -1.26 -5.08 118.95 115.38 1xa3 s ARG 349 Ca 0.00 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.47 1xa3 s ARG 349 Cb 0.00 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1xa3 s ARG 349 CO 0.00 0.60 1.02 0.99 0.02 0.00 0.00 175.30 177.93 1xa3 s THR 350 N -1.52 4.74 -0.06 0.02 2.01 -1.26 -0.27 115.64 119.30 1xa3 s THR 350 Ca 0.35 1.97 0.06 0.00 0.31 0.00 0.00 61.69 64.39 1xa3 s THR 350 Cb -0.13 -4.27 -0.01 0.00 0.01 0.00 0.00 72.50 68.10 1xa3 s THR 350 CO 0.28 0.12 -0.25 0.00 -0.69 0.00 0.00 174.62 174.08 1xa3 s LYS 352 N -0.17 3.00 0.00 0.00 2.20 -1.26 -0.99 119.74 122.51 1xa3 s LYS 352 Ca -0.03 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1xa3 s LYS 352 Cb -0.14 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1xa3 s LYS 352 CO 0.04 0.65 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 1xa3 n GLY 353 N 1.40 -0.80 3.70 5.54 0.00 -0.34 -5.00 105.19 109.69 1xa3 n GLY 353 Ca -0.14 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 1xa3 n GLY 353 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xa3 n PRO 354 N -0.55 1.80 -1.29 1.61 -0.02 -1.26 -0.59 135.00 134.69 1xa3 n PRO 354 Ca 0.00 0.65 -0.30 0.00 -2.02 0.00 0.00 63.50 61.82 1xa3 n PRO 354 Cb 0.00 -2.41 0.24 0.00 -0.02 0.00 0.00 33.50 31.31 1xa3 n PRO 354 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1xa3 s ASN 355 N -0.67 1.16 1.35 2.55 3.84 -0.59 -4.69 114.94 117.89 1xa3 s ASN 355 Ca 0.64 0.42 -0.21 0.00 0.21 0.00 0.00 52.86 53.93 1xa3 s ASN 355 Cb -0.48 -0.52 0.34 0.00 -0.55 0.00 0.00 41.25 40.04 1xa3 s ASN 355 CO 0.55 -3.95 0.98 -0.63 -2.79 0.00 0.00 177.10 171.26 1xa3 s ILE 356 N -3.26 1.37 0.40 -5.21 -1.09 -1.26 -5.01 121.20 107.14 1xa3 s ILE 356 Ca 0.73 0.00 -0.07 0.00 -2.23 0.00 0.00 60.65 59.09 1xa3 s ILE 356 Cb -0.06 -2.17 0.10 0.00 -1.58 0.00 0.00 42.46 38.75 1xa3 s ILE 356 CO 0.55 0.00 0.24 -0.81 -1.23 0.00 0.00 174.94 173.69 1xa3 n PRO 358 N -5.36 -2.74 -3.41 2.79 -0.04 -1.26 -5.02 135.00 119.95 1xa3 n PRO 358 Ca 0.12 -0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 62.75 1xa3 n PRO 358 Cb 0.59 -0.52 -0.09 0.00 -0.04 0.00 0.00 33.50 33.44 1xa3 n PRO 358 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xa3 s LYS 359 N -3.53 2.99 -0.04 0.54 1.02 -1.26 -4.81 119.74 114.65 1xa3 s LYS 359 Ca 0.18 -1.10 -0.27 0.00 0.02 0.00 0.00 55.97 54.80 1xa3 s LYS 359 Cb -0.03 -4.03 -0.03 0.00 -0.52 0.00 0.00 37.83 33.22 1xa3 s LYS 359 CO 0.15 -0.86 0.87 -0.06 -0.92 0.00 0.00 175.35 174.53 1xa3 s PHE 360 N 1.74 3.61 -0.06 3.18 0.08 -1.26 -5.00 117.98 120.27 1xa3 s PHE 360 Ca 0.06 1.51 -0.22 0.00 0.12 0.00 0.00 56.93 58.39 1xa3 s PHE 360 Cb -0.21 -3.01 -0.17 0.00 -0.57 0.00 0.00 43.02 39.07 1xa3 s PHE 360 CO 0.09 -0.00 0.88 -0.22 -0.10 0.00 0.00 175.22 175.87 1xa3 h LYS 361 N 6.84 -0.15 -0.01 0.44 3.64 -1.99 -3.10 116.57 122.23 1xa3 h LYS 361 Ca -0.40 0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 58.78 1xa3 h LYS 361 Cb 1.20 0.03 0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1xa3 h LYS 361 CO 0.76 0.34 -0.83 -0.91 -2.27 0.00 0.00 179.45 176.55 1xa3 h ASN 362 N -0.83 0.75 -2.12 4.20 2.35 -2.05 -3.40 115.58 114.49 1xa3 h ASN 362 Ca -0.02 -0.74 -0.58 0.00 -0.55 0.00 0.00 56.30 54.42 1xa3 h ASN 362 Cb 0.56 -0.23 -0.41 0.00 0.05 0.00 0.00 38.32 38.29 1xa3 h ASN 362 CO 0.03 1.39 -0.82 0.59 -1.65 0.00 0.00 177.43 176.96 1xa3 n ASN 363 N -4.02 2.37 -4.75 5.81 5.03 -1.26 -5.01 115.26 113.43 1xa3 n ASN 363 Ca -0.10 -3.17 -0.38 0.00 0.87 0.00 0.00 54.58 51.79 1xa3 n ASN 363 Cb 0.78 -0.65 0.04 0.00 -1.02 0.00 0.00 39.78 38.93 1xa3 n ASN 363 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1xa3 s PRO 364 N -2.11 3.20 1.06 3.52 0.04 -1.17 -3.70 135.00 135.83 1xa3 s PRO 364 Ca 0.39 2.21 -0.13 0.00 0.04 0.00 0.00 61.00 63.51 1xa3 s PRO 364 Cb 0.18 -2.28 0.22 0.00 0.04 0.00 0.00 34.50 32.66 1xa3 s PRO 364 CO -0.06 -1.14 1.08 0.20 0.04 0.00 0.00 177.00 177.13 1xa3 s GLY 365 N -0.97 1.56 0.18 0.56 0.00 -1.26 -3.59 107.32 103.79 1xa3 s GLY 365 Ca 0.71 -0.43 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 1xa3 s GLY 365 CO 0.47 0.24 0.46 -0.86 0.00 0.00 0.00 173.10 173.41 1xa3 s GLN 366 N -4.96 1.29 -0.42 2.90 -2.07 -1.25 -4.95 119.66 110.20 1xa3 s GLN 366 Ca 0.66 -0.89 -0.17 0.00 -1.82 0.00 0.00 55.36 53.14 1xa3 s GLN 366 Cb -0.18 0.49 0.02 0.00 -1.09 0.00 0.00 33.01 32.24 1xa3 s GLN 366 CO 0.58 -0.53 0.44 0.42 -1.32 0.00 0.00 175.29 174.89 1xa3 s ILE 367 N -3.88 5.08 -0.15 3.63 1.01 -1.26 -4.90 121.20 120.72 1xa3 s ILE 367 Ca 0.09 -0.32 0.11 0.00 0.00 0.00 0.00 60.65 60.54 1xa3 s ILE 367 Cb 0.00 -4.04 -0.16 0.00 0.01 0.00 0.00 42.46 38.28 1xa3 s ILE 367 CO -0.04 -0.42 0.30 -2.67 0.00 0.00 0.00 174.94 172.12 1xa3 n TRP 368 N 5.61 0.00 -3.75 3.97 4.27 -1.26 -5.02 117.44 121.26 1xa3 n TRP 368 Ca -0.07 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.41 1xa3 n TRP 368 Cb 0.47 -0.18 -0.10 0.00 -1.36 0.00 0.00 31.31 30.15 1xa3 n TRP 368 CO 0.00 0.00 0.00 0.50 -2.29 0.00 0.00 177.69 175.90 1xa3 s ARG 369 N -2.56 0.52 0.00 -2.67 3.52 -1.26 -5.01 118.95 111.49 1xa3 s ARG 369 Ca -0.02 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 1xa3 s ARG 369 Cb 0.07 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 1xa3 s ARG 369 CO 0.46 -0.11 0.02 0.41 -0.81 0.00 0.00 175.30 175.27 1xa3 n GLY 370 N 2.21 0.77 3.20 8.12 0.00 -1.26 -0.77 105.19 117.46 1xa3 n GLY 370 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1xa3 n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xa3 s PRO 372 N -0.04 0.92 0.73 1.61 0.04 -1.26 -4.26 135.00 132.74 1xa3 s PRO 372 Ca 0.00 -1.33 -0.10 0.00 0.04 0.00 0.00 61.00 59.62 1xa3 s PRO 372 Cb 0.00 -0.46 0.05 0.00 0.04 0.00 0.00 34.50 34.13 1xa3 s PRO 372 CO 0.00 0.05 1.08 -1.54 0.04 0.00 0.00 177.00 176.63 1xa3 s SER 373 N -2.91 4.93 -0.05 6.66 1.04 -1.26 -4.97 113.70 117.14 1xa3 s SER 373 Ca 0.12 0.76 -0.30 0.00 0.48 0.00 0.00 55.95 57.01 1xa3 s SER 373 Cb 0.02 -1.42 -0.08 0.00 0.10 0.00 0.00 66.02 64.64 1xa3 s SER 373 CO -0.01 -1.59 2.05 1.57 0.98 0.00 0.00 173.24 176.24 1xa3 n HIS 374 N -3.05 2.32 -2.12 5.02 -0.00 -1.26 -4.71 115.22 111.43 1xa3 n HIS 374 Ca 0.07 -0.28 -0.03 0.00 0.46 0.00 0.00 57.72 57.95 1xa3 n HIS 374 Cb 0.60 -2.77 -0.02 0.00 -0.12 0.00 0.00 29.99 27.67 1xa3 n HIS 374 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xa3 n GLY 375 N 4.96 -4.22 0.00 1.57 0.00 -1.26 -4.84 105.19 101.40 1xa3 n GLY 375 Ca 0.24 0.79 0.00 0.00 0.00 0.00 0.00 46.02 47.05 1xa3 n GLY 375 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xa3 n ASP 377 N 0.90 0.00 -0.15 1.61 8.00 -0.01 -4.35 116.55 122.55 1xa3 n ASP 377 Ca -0.22 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.25 1xa3 n ASP 377 Cb 0.34 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1xa3 n ASP 377 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1xa3 h THR 378 N 0.00 0.58 -0.31 -3.53 2.02 -1.74 -1.29 112.91 108.65 1xa3 h THR 378 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1xa3 h THR 378 Cb 0.00 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1xa3 h THR 378 CO 0.00 0.01 0.05 0.00 0.37 0.00 0.00 175.52 175.95 1xa3 h ALA 379 N 1.45 0.41 -0.64 6.16 0.00 -1.89 -1.99 119.26 122.75 1xa3 h ALA 379 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xa3 h ALA 379 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1xa3 h ALA 379 CO -0.44 0.11 0.41 0.00 0.00 0.00 0.00 179.25 179.33 1xa3 h ALA 380 N 0.88 0.82 -0.02 0.00 0.00 -1.91 -0.89 119.26 118.13 1xa3 h ALA 380 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xa3 h ALA 380 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xa3 h ALA 380 CO 0.01 0.26 0.01 0.82 0.00 0.00 0.00 179.25 180.35 1xa3 h ILE 381 N 0.87 1.11 -0.79 0.00 2.04 -1.09 -0.33 117.51 119.32 1xa3 h ILE 381 Ca 0.23 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1xa3 h ILE 381 Cb -0.08 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1xa3 h ILE 381 CO -0.05 0.09 0.32 -0.07 0.00 0.00 0.00 178.15 178.44 1xa3 h LEU 382 N -0.10 1.09 -0.52 1.44 3.38 -1.30 -2.19 115.31 117.10 1xa3 h LEU 382 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1xa3 h LEU 382 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1xa3 h LEU 382 CO -0.00 0.97 0.34 0.50 0.09 0.00 0.00 178.44 180.34 1xa3 h LYS 383 N 1.16 0.69 -0.43 1.13 3.64 -1.04 -0.89 116.57 120.83 1xa3 h LYS 383 Ca 0.26 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1xa3 h LYS 383 Cb 0.22 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1xa3 h LYS 383 CO -0.02 0.46 0.29 -0.97 -2.27 0.00 0.00 179.45 176.94 1xa3 h ASN 384 N 0.71 0.22 -0.61 4.20 -1.24 -0.47 -1.52 115.58 116.87 1xa3 h ASN 384 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 1xa3 h ASN 384 Cb -0.08 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1xa3 h ASN 384 CO -0.04 0.14 0.00 2.30 -1.29 0.00 0.00 177.43 178.54 1xa3 n ILE 385 N -4.47 2.29 0.00 2.57 -5.35 -0.90 -4.95 119.36 108.55 1xa3 n ILE 385 Ca 0.06 -1.32 0.00 0.00 -0.27 0.00 0.00 62.75 61.22 1xa3 n ILE 385 Cb 0.32 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1xa3 n ILE 385 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xa3 n GLY 386 N 0.86 0.98 3.75 3.28 0.00 -0.57 -4.98 105.19 108.51 1xa3 n GLY 386 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 1xa3 n GLY 386 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xa3 s TYR 387 N -2.00 3.91 0.73 1.61 2.02 -0.36 -5.00 117.35 118.27 1xa3 s TYR 387 Ca 0.00 1.77 -0.11 0.00 -0.37 0.00 0.00 57.07 58.36 1xa3 s TYR 387 Cb 0.00 -2.91 0.04 0.00 -0.40 0.00 0.00 41.96 38.69 1xa3 s TYR 387 CO 0.00 0.42 1.11 -1.54 -1.57 0.00 0.00 175.55 173.97 1xa3 s SER 388 N -0.88 5.12 0.25 2.29 1.04 -1.26 -4.15 113.70 116.11 1xa3 s SER 388 Ca 0.40 0.96 -0.05 0.00 0.48 0.00 0.00 55.95 57.74 1xa3 s SER 388 Cb -0.24 -1.66 0.31 0.00 0.10 0.00 0.00 66.02 64.53 1xa3 s SER 388 CO 0.29 -1.52 1.90 -0.08 0.98 0.00 0.00 173.24 174.81 1xa3 h GLU 389 N -0.75 1.21 -0.39 4.02 4.81 -1.99 -2.03 114.58 119.46 1xa3 h GLU 389 Ca -0.45 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 58.64 1xa3 h GLU 389 Cb 1.28 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1xa3 h GLU 389 CO 0.64 0.80 0.01 -0.97 -0.73 0.00 0.00 179.01 178.76 1xa3 h ASN 390 N 1.24 0.66 -0.88 1.04 -1.24 -1.99 -1.79 115.58 112.63 1xa3 h ASN 390 Ca 0.39 -0.30 0.12 0.00 0.71 0.00 0.00 56.30 57.21 1xa3 h ASN 390 Cb -0.01 -0.18 -0.08 0.00 0.73 0.00 0.00 38.32 38.78 1xa3 h ASN 390 CO -0.12 0.80 0.51 0.44 -1.29 0.00 0.00 177.43 177.77 1xa3 h ASP 391 N 0.50 0.70 -0.18 1.15 3.32 -1.83 -0.68 116.42 119.41 1xa3 h ASP 391 Ca 0.11 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1xa3 h ASP 391 Cb 0.46 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1xa3 h ASP 391 CO 0.02 0.37 -0.44 0.40 -1.72 0.00 0.00 179.24 177.87 1xa3 h ILE 392 N 0.80 1.33 -0.96 0.35 2.04 -1.15 -1.05 117.51 118.87 1xa3 h ILE 392 Ca 0.44 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.65 1xa3 h ILE 392 Cb 0.48 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 1xa3 h ILE 392 CO -0.28 0.52 0.63 1.56 0.00 0.00 0.00 178.15 180.58 1xa3 h GLN 393 N 0.28 1.21 -0.43 2.37 4.20 -0.93 -1.28 115.11 120.53 1xa3 h GLN 393 Ca -0.00 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1xa3 h GLN 393 Cb 1.05 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1xa3 h GLN 393 CO 0.10 0.80 -0.13 0.93 -0.67 0.00 0.00 178.83 179.86 1xa3 h GLU 394 N 1.24 0.84 -0.48 1.46 5.08 -0.90 -0.81 114.58 121.02 1xa3 h GLU 394 Ca 0.37 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1xa3 h GLU 394 Cb -0.04 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1xa3 h GLU 394 CO -0.10 0.96 0.20 -0.07 -1.00 0.00 0.00 179.01 179.00 1xa3 h LEU 395 N 0.66 0.25 -0.22 1.33 3.38 -0.70 -1.66 115.31 118.35 1xa3 h LEU 395 Ca 0.10 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xa3 h LEU 395 Cb 0.67 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1xa3 h LEU 395 CO 0.05 0.18 0.09 0.58 0.09 0.00 0.00 178.44 179.43 1xa3 h VAL 396 N 0.40 1.16 -0.02 1.22 2.07 -1.07 -1.65 116.25 118.35 1xa3 h VAL 396 Ca 0.22 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1xa3 h VAL 396 Cb 0.18 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1xa3 h VAL 396 CO -0.19 0.16 -0.07 0.28 0.02 0.00 0.00 177.57 177.76 1xa3 h SER 397 N 0.21 0.02 1.45 0.57 0.02 -0.89 -2.00 113.55 112.93 1xa3 h SER 397 Ca 0.07 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1xa3 h SER 397 Cb 0.16 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1xa3 h SER 397 CO -0.01 0.10 0.00 0.11 -1.14 0.00 0.00 176.83 175.89 1xa3 h LYS 398 N 0.03 0.00 0.00 3.45 1.57 -1.07 -3.47 116.57 117.08 1xa3 h LYS 398 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xa3 h LYS 398 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1xa3 h LYS 398 CO 0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1xa3 n GLY 399 N 0.89 0.70 0.16 3.86 0.00 -0.75 -4.98 105.19 105.07 1xa3 n GLY 399 Ca 0.04 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.77 1xa3 n GLY 399 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xa3 n LEU 400 N 0.00 1.32 -3.70 0.99 4.77 -0.64 -4.83 117.00 114.90 1xa3 n LEU 400 Ca 0.00 -0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 55.28 1xa3 n LEU 400 Cb 0.00 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1xa3 n LEU 400 CO 0.00 0.29 0.10 0.00 -1.33 0.00 0.00 177.39 176.45 1xa3 s ALA 401 N -2.83 -0.86 -0.07 -1.18 0.00 -1.19 -1.01 121.76 114.63 1xa3 s ALA 401 Ca 0.11 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1xa3 s ALA 401 Cb 0.17 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1xa3 s ALA 401 CO 0.77 -0.45 -0.11 0.21 0.00 0.00 0.00 175.76 176.17 1xa3 s LYS 402 N -2.63 1.64 0.00 0.00 2.20 -0.42 -4.27 119.74 116.26 1xa3 s LYS 402 Ca -0.04 -0.39 0.17 0.00 -0.36 0.00 0.00 55.97 55.36 1xa3 s LYS 402 Cb -0.01 -1.38 0.14 0.00 -1.51 0.00 0.00 37.83 35.07 1xa3 s LYS 402 CO -0.04 0.00 1.05 1.33 -0.36 0.00 0.00 175.35 177.34