#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa3 n PRO 5 N 0.00 2.66 -2.86 3.23 -0.02 -1.26 -5.12 135.00 131.63 1xa3 n PRO 5 Ca 0.00 0.95 -0.36 0.00 -2.02 0.00 0.00 63.50 62.07 1xa3 n PRO 5 Cb 0.00 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 30.68 1xa3 n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xa3 s PRO 7 N -0.10 4.43 -0.31 0.52 0.04 -1.26 -5.17 135.00 133.15 1xa3 s PRO 7 Ca 0.67 1.17 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1xa3 s PRO 7 Cb -0.51 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1xa3 s PRO 7 CO 0.45 0.23 0.84 0.21 0.04 0.00 0.00 177.00 178.76 1xa3 s LYS 8 N -2.32 3.96 0.17 4.56 2.20 -1.26 -5.03 119.74 122.03 1xa3 s LYS 8 Ca 0.52 0.64 -0.23 0.00 -0.36 0.00 0.00 55.97 56.54 1xa3 s LYS 8 Cb -0.16 -3.74 0.06 0.00 -1.51 0.00 0.00 37.83 32.48 1xa3 s LYS 8 CO 0.21 -0.73 0.69 -0.59 -0.36 0.00 0.00 175.35 174.57 1xa3 s PHE 9 N 3.09 -0.39 0.00 4.03 -0.12 -1.26 -5.09 117.98 118.23 1xa3 s PHE 9 Ca 0.34 0.12 0.00 0.00 -0.05 0.00 0.00 56.93 57.34 1xa3 s PHE 9 Cb -0.14 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 42.86 1xa3 s PHE 9 CO 0.13 -0.92 0.00 0.41 -0.05 0.00 0.00 175.22 174.79 1xa3 n GLY 10 N -0.39 -1.76 0.28 1.99 0.00 -1.22 -3.37 105.19 100.71 1xa3 n GLY 10 Ca -0.12 -1.53 0.19 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 0.00 -0.38 1.61 0.13 -1.57 -3.15 132.00 128.64 1xa3 h PRO 11 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xa3 h PRO 11 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1xa3 h PRO 11 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 1xa3 n LEU 12 N -3.00 3.36 -4.54 1.56 4.77 -0.55 -4.99 117.00 113.60 1xa3 n LEU 12 Ca -0.01 -2.25 -0.54 0.00 -0.03 0.00 0.00 56.01 53.18 1xa3 n LEU 12 Cb 0.21 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 1xa3 n LEU 12 CO 0.24 0.74 0.70 0.00 -1.33 0.00 0.00 177.39 177.74 1xa3 n ALA 13 N 0.43 -2.15 -0.10 -1.18 0.00 -1.19 -1.56 120.51 114.76 1xa3 n ALA 13 Ca 0.16 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1xa3 n ALA 13 Cb 0.58 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 2.01 1.58 3.76 0.00 0.00 -1.26 -4.96 105.19 106.32 1xa3 n GLY 14 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 4.54 -0.29 0.99 2.96 -0.60 -4.92 118.68 121.36 1xa3 s LEU 15 Ca 0.00 1.64 -0.08 0.00 -0.22 0.00 0.00 54.13 55.47 1xa3 s LEU 15 Cb 0.00 -3.35 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 1xa3 s LEU 15 CO 0.00 0.10 0.11 -0.60 -1.32 0.00 0.00 176.35 174.64 1xa3 s ARG 16 N -0.64 3.35 -0.02 1.98 3.52 -1.26 -1.09 118.95 124.78 1xa3 s ARG 16 Ca 0.39 -0.70 0.07 0.00 -0.13 0.00 0.00 55.73 55.36 1xa3 s ARG 16 Cb -0.23 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1xa3 s ARG 16 CO 0.26 -0.36 -0.22 0.08 -0.81 0.00 0.00 175.30 174.25 1xa3 s VAL 17 N 1.58 1.77 -0.01 7.11 1.01 -0.11 -1.11 120.40 130.64 1xa3 s VAL 17 Ca 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1xa3 s VAL 17 Cb -0.17 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1xa3 s VAL 17 CO 0.04 0.50 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 1xa3 s VAL 18 N -0.49 1.06 0.01 2.92 1.01 -0.43 -0.89 120.40 123.59 1xa3 s VAL 18 Ca 0.08 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1xa3 s VAL 18 Cb -0.09 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1xa3 s VAL 18 CO -0.01 0.30 -0.09 0.72 0.00 0.00 0.00 175.10 176.02 1xa3 s PHE 19 N -0.32 0.80 -0.19 5.22 -0.12 -0.34 -1.23 117.98 121.81 1xa3 s PHE 19 Ca 0.05 -0.22 -0.01 0.00 -0.05 0.00 0.00 56.93 56.70 1xa3 s PHE 19 Cb -0.05 -0.50 0.01 0.00 -0.63 0.00 0.00 43.02 41.84 1xa3 s PHE 19 CO -0.01 -0.01 -0.14 0.45 -0.05 0.00 0.00 175.22 175.46 1xa3 s SER 20 N -0.53 3.61 0.00 1.98 0.15 -0.08 -1.39 113.70 117.43 1xa3 s SER 20 Ca 0.01 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1xa3 s SER 20 Cb -0.05 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1xa3 s SER 20 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1xa3 n GLY 21 N 4.58 0.95 3.29 9.45 0.00 -1.26 -1.62 105.19 120.58 1xa3 n GLY 21 Ca -0.20 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 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 0.52 0.00 -0.61 -4.36 -1.26 -4.74 121.20 108.75 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 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.18 1xa3 s ILE 22 CO 0.00 -0.09 0.00 -0.62 0.24 0.00 0.00 174.94 174.47 1xa3 n GLU 23 N -0.40 0.00 -0.05 0.37 -0.58 -1.26 -4.45 120.64 114.26 1xa3 n GLU 23 Ca -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 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 1.11 0.29 -3.67 5.41 -1.26 -4.59 119.36 116.65 1xa3 n ILE 24 Ca 0.00 0.24 -0.18 0.00 1.00 0.00 0.00 62.75 63.81 1xa3 n ILE 24 Cb 0.00 -2.03 -0.09 0.00 -0.71 0.00 0.00 39.64 36.81 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 -1.02 -1.06 0.22 -1.39 0.00 -1.78 0.25 119.26 114.48 1xa3 h ALA 25 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xa3 h ALA 25 Cb 0.63 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xa3 h ALA 25 CO 0.00 -1.14 -0.11 0.78 0.00 0.00 0.00 179.25 178.79 1xa3 h GLY 26 N -0.96 -0.31 1.14 0.00 0.00 -1.89 -2.57 103.07 98.48 1xa3 h GLY 26 Ca -0.06 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1xa3 h GLY 26 CO -0.05 -0.11 0.45 -2.55 0.00 0.00 0.00 176.54 174.27 1xa3 h PRO 27 N -0.49 0.72 -0.46 4.80 0.11 -1.79 -1.70 132.00 133.20 1xa3 h PRO 27 Ca -0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1xa3 h PRO 27 Cb 0.37 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1xa3 h PRO 27 CO 0.05 0.48 0.24 0.35 -0.21 0.00 0.00 178.00 178.91 1xa3 h PHE 28 N 0.75 0.64 -0.42 0.65 3.57 -0.45 0.13 116.94 121.80 1xa3 h PHE 28 Ca 0.29 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.79 1xa3 h PHE 28 Cb 0.18 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1xa3 h PHE 28 CO -0.00 0.49 0.23 0.00 -2.23 0.00 0.00 178.31 176.80 1xa3 h ALA 29 N 1.09 0.52 -0.24 2.41 0.00 -0.99 -3.15 119.26 118.91 1xa3 h ALA 29 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1xa3 h ALA 29 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xa3 h ALA 29 CO -0.02 -0.11 -0.34 0.78 0.00 0.00 0.00 179.25 179.56 1xa3 h GLY 30 N 0.46 0.71 -4.08 0.00 0.00 -1.01 -3.35 103.07 95.80 1xa3 h GLY 30 Ca 0.17 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 1xa3 h GLY 30 CO -0.10 0.70 0.06 -0.18 0.00 0.00 0.00 176.54 177.03 1xa3 n GLN 31 N -4.27 0.63 0.00 4.80 0.00 0.42 -3.69 117.38 115.27 1xa3 n GLN 31 Ca -0.05 -0.21 0.00 0.00 -0.00 0.00 0.00 57.00 56.74 1xa3 n GLN 31 Cb 0.50 -1.50 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 2.29 0.00 0.12 3.69 3.72 -1.26 -1.74 117.46 124.29 1xa3 n PHE 33 Ca 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.50 1xa3 n PHE 33 Cb 0.30 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.18 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 1.37 -0.48 4.37 0.00 -1.78 -1.98 119.26 120.76 1xa3 h ALA 34 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1xa3 h ALA 34 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1xa3 h ALA 34 CO 0.00 0.44 0.32 0.93 0.00 0.00 0.00 179.25 180.94 1xa3 h GLU 35 N 0.18 0.42 -0.33 0.00 4.39 -1.67 -3.00 114.58 114.57 1xa3 h GLU 35 Ca 0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xa3 h GLU 35 Cb 0.55 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1xa3 h GLU 35 CO 0.04 0.28 0.00 0.91 -1.16 0.00 0.00 179.01 179.08 1xa3 n TRP 36 N -4.48 0.88 0.00 4.33 8.01 -0.98 -3.79 117.44 121.41 1xa3 n TRP 36 Ca 0.06 -0.74 0.00 0.00 -1.31 0.00 0.00 57.50 55.52 1xa3 n TRP 36 Cb 0.23 -0.23 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 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 -0.04 1.02 3.78 6.99 0.00 -1.06 -1.49 105.19 114.39 1xa3 n GLY 37 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 2.32 -0.47 4.61 0.00 -0.78 -3.53 121.76 121.90 1xa3 s ALA 38 Ca 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 1xa3 s ALA 38 Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1xa3 s ALA 38 CO 0.00 -1.68 0.86 -2.00 0.00 0.00 0.00 175.76 172.94 1xa3 s GLU 39 N -4.93 3.43 -0.12 0.00 2.12 -0.25 -4.45 118.70 114.50 1xa3 s GLU 39 Ca 0.61 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.92 1xa3 s GLU 39 Cb -0.17 -3.96 0.01 0.00 0.26 0.00 0.00 34.13 30.27 1xa3 s GLU 39 CO 0.56 -1.23 -0.23 0.08 -0.54 0.00 0.00 175.26 173.91 1xa3 s VAL 40 N 3.57 2.04 -0.23 3.70 1.01 -1.26 -0.93 120.40 128.29 1xa3 s VAL 40 Ca 0.32 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1xa3 s VAL 40 Cb -0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1xa3 s VAL 40 CO 0.23 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.28 1xa3 s ILE 41 N 0.63 4.04 -0.40 2.22 1.01 -0.07 -1.35 121.20 127.28 1xa3 s ILE 41 Ca -0.12 -0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 1xa3 s ILE 41 Cb -0.16 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.45 1xa3 s ILE 41 CO 0.02 0.38 0.61 0.86 0.00 0.00 0.00 174.94 176.81 1xa3 s TRP 42 N 1.44 3.11 -0.11 3.97 -0.00 0.92 -1.19 118.94 127.08 1xa3 s TRP 42 Ca 0.05 0.05 -0.22 0.00 -0.00 0.00 0.00 56.10 55.98 1xa3 s TRP 42 Cb -0.15 -3.21 -0.03 0.00 -0.00 0.00 0.00 33.47 30.08 1xa3 s TRP 42 CO 0.02 -0.75 0.65 0.42 -0.00 0.00 0.00 176.95 177.29 1xa3 s ILE 43 N 2.69 5.06 0.29 5.86 1.01 -0.49 -0.97 121.20 134.64 1xa3 s ILE 43 Ca 0.22 1.32 0.11 0.00 0.00 0.00 0.00 60.65 62.30 1xa3 s ILE 43 Cb -0.15 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1xa3 s ILE 43 CO 0.17 0.23 -0.15 -1.61 0.00 0.00 0.00 174.94 173.58 1xa3 s GLU 44 N 1.05 1.80 1.23 2.79 2.02 0.14 -4.40 118.70 123.33 1xa3 s GLU 44 Ca 0.34 -1.74 -0.17 0.00 0.02 0.00 0.00 54.97 53.41 1xa3 s GLU 44 Cb -0.17 -1.82 0.30 0.00 0.10 0.00 0.00 34.13 32.54 1xa3 s GLU 44 CO 0.15 0.30 1.03 -0.80 0.02 0.00 0.00 175.26 175.95 1xa3 s ASN 45 N -3.56 0.58 -0.20 -0.19 0.01 -1.25 -2.07 114.94 108.26 1xa3 s ASN 45 Ca 0.31 1.05 -0.22 0.00 -0.71 0.00 0.00 52.86 53.29 1xa3 s ASN 45 Cb -0.04 -1.58 -0.20 0.00 0.41 0.00 0.00 41.25 39.84 1xa3 s ASN 45 CO 0.16 -4.38 0.26 0.58 -1.51 0.00 0.00 177.10 172.21 1xa3 h VAL 46 N -2.75 0.98 -0.00 1.60 2.07 -1.90 -3.40 116.25 112.85 1xa3 h VAL 46 Ca -0.52 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 64.82 1xa3 h VAL 46 Cb 1.33 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 1xa3 h VAL 46 CO 0.42 0.33 -0.62 0.00 0.02 0.00 0.00 177.57 177.72 1xa3 n ALA 47 N -3.35 3.88 -2.61 1.67 0.00 -1.26 -4.82 120.51 114.02 1xa3 n ALA 47 Ca -0.30 -0.49 -0.09 0.00 0.00 0.00 0.00 53.44 52.56 1xa3 n ALA 47 Cb 0.66 -0.96 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 1xa3 n ALA 47 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1xa3 s TRP 48 N -2.84 0.13 0.48 0.00 -2.14 -1.26 -5.18 118.94 108.13 1xa3 s TRP 48 Ca 0.13 -0.55 0.07 0.00 2.66 0.00 0.00 56.10 58.42 1xa3 s TRP 48 Cb 0.17 -0.03 0.01 0.00 -3.10 0.00 0.00 33.47 30.53 1xa3 s TRP 48 CO 0.71 -0.57 0.42 0.00 -2.66 0.00 0.00 176.95 174.85 1xa3 s ALA 49 N -3.86 4.25 0.14 2.67 0.00 -1.26 -3.80 121.76 119.89 1xa3 s ALA 49 Ca 0.05 -1.69 -0.33 0.00 0.00 0.00 0.00 51.96 49.99 1xa3 s ALA 49 Cb 0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 23.12 22.12 1xa3 s ALA 49 CO -0.10 -0.37 1.65 -3.47 0.00 0.00 0.00 175.76 173.46 1xa3 n ASP 50 N -1.69 3.33 0.15 0.00 -0.08 -1.26 -4.88 116.55 112.13 1xa3 n ASP 50 Ca 0.03 1.06 0.11 0.00 -1.51 0.00 0.00 54.79 54.48 1xa3 n ASP 50 Cb 0.63 -1.45 0.54 0.00 2.34 0.00 0.00 41.12 43.18 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 3.76 0.99 -0.04 5.18 -2.24 -1.26 -1.79 114.28 118.88 1xa3 n THR 51 Ca 0.17 0.55 0.17 0.00 -2.27 0.00 0.00 64.05 62.68 1xa3 n THR 51 Cb 0.30 -1.53 0.61 0.00 -2.10 0.00 0.00 70.33 67.61 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 0.79 0.00 2.28 6.09 -1.90 -2.61 117.51 122.17 1xa3 h ILE 52 Ca 0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1xa3 h ILE 52 Cb 0.13 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.01 1xa3 h ILE 52 CO 0.00 0.03 0.00 0.03 -3.07 0.00 0.00 178.15 175.14 1xa3 h ARG 53 N 0.18 0.00 0.00 2.19 3.08 -1.73 -1.69 114.38 116.41 1xa3 h ARG 53 Ca 0.27 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1xa3 h ARG 53 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1xa3 h ARG 53 CO -0.04 0.00 -0.15 0.28 -1.07 0.00 0.00 179.97 178.98 1xa3 h VAL 54 N 0.00 0.64 -3.21 2.04 2.07 -1.69 -3.43 116.25 112.66 1xa3 h VAL 54 Ca 0.00 -0.65 -0.53 0.00 0.82 0.00 0.00 66.70 66.34 1xa3 h VAL 54 Cb 0.23 1.42 0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1xa3 h VAL 54 CO 0.00 0.15 0.68 -1.10 0.02 0.00 0.00 177.57 177.32 1xa3 s GLN 55 N -4.15 4.36 0.46 1.57 -1.52 -0.64 -4.95 119.66 114.79 1xa3 s GLN 55 Ca -0.02 2.06 0.26 0.00 -1.95 0.00 0.00 55.36 55.71 1xa3 s GLN 55 Cb 0.13 -3.22 0.98 0.00 -0.22 0.00 0.00 33.01 30.68 1xa3 s GLN 55 CO 0.61 -0.34 1.84 -1.00 -0.25 0.00 0.00 175.29 176.15 1xa3 h PRO 56 N 6.02 0.00 0.00 2.91 0.13 -1.88 -3.42 132.00 135.76 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 0.81 0.17 -0.23 0.09 -0.23 0.00 0.00 178.00 178.61 1xa3 n ASN 57 N -3.30 0.46 -0.25 1.44 4.13 -1.26 -4.91 115.26 111.57 1xa3 n ASN 57 Ca 0.00 0.00 0.05 0.00 1.68 0.00 0.00 54.58 56.31 1xa3 n ASN 57 Cb 0.41 0.00 0.16 0.00 -1.54 0.00 0.00 39.78 38.81 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 0.02 -0.08 3.10 3.20 -1.95 -0.83 116.97 120.43 1xa3 h TYR 58 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1xa3 h TYR 58 Cb 0.23 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1xa3 h TYR 58 CO 0.00 -0.21 0.08 -1.35 -1.64 0.00 0.00 178.16 175.05 1xa3 h PRO 59 N 0.13 0.00 -0.16 1.82 0.11 -1.84 0.25 132.00 132.32 1xa3 h PRO 59 Ca 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 1xa3 h PRO 59 Cb 0.71 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 1xa3 h PRO 59 CO -0.62 0.00 0.03 1.96 -0.21 0.00 0.00 178.00 179.16 1xa3 h GLN 60 N 0.00 0.21 0.05 1.05 1.08 -1.50 -0.04 115.11 115.96 1xa3 h GLN 60 Ca 0.04 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.08 1xa3 h GLN 60 Cb 0.20 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1xa3 h GLN 60 CO -0.00 0.21 -0.70 1.25 -0.95 0.00 0.00 178.83 178.64 1xa3 h LEU 61 N 0.22 0.15 0.00 1.46 5.85 -0.68 -3.30 115.31 119.01 1xa3 h LEU 61 Ca 0.05 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.92 1xa3 h LEU 61 Cb 0.10 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1xa3 h LEU 61 CO -0.00 1.30 0.00 -1.54 -0.34 0.00 0.00 178.44 177.86 1xa3 n SER 62 N -4.36 0.00 -0.15 1.25 3.41 -0.18 -2.91 113.62 110.68 1xa3 n SER 62 Ca -0.19 0.10 0.04 0.00 -0.26 0.00 0.00 58.87 58.56 1xa3 n SER 62 Cb 0.66 -0.36 0.05 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.36 1.13 -1.35 4.33 5.12 -0.05 -4.84 116.66 119.64 1xa3 n ARG 63 Ca 0.11 -1.59 -0.32 0.00 -1.93 0.00 0.00 57.85 54.12 1xa3 n ARG 63 Cb 0.27 -0.97 0.09 0.00 -1.16 0.00 0.00 32.46 30.69 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 -1.25 2.22 -1.28 5.56 1.70 -1.14 -3.65 118.95 121.10 1xa3 s ARG 64 Ca 0.11 1.39 0.00 0.00 -0.47 0.00 0.00 55.73 56.76 1xa3 s ARG 64 Cb 0.10 -1.88 0.00 0.00 -0.57 0.00 0.00 34.95 32.60 1xa3 s ARG 64 CO 0.01 -1.70 0.00 0.09 -1.08 0.00 0.00 175.30 172.62 1xa3 n ASN 65 N -3.17 -4.87 -4.75 -2.89 4.13 -0.25 -4.86 115.26 98.61 1xa3 n ASN 65 Ca 0.11 0.30 -0.27 0.00 1.68 0.00 0.00 54.58 56.39 1xa3 n ASN 65 Cb 0.52 -3.43 -0.06 0.00 -1.54 0.00 0.00 39.78 35.27 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 -2.75 3.66 -0.06 3.41 1.43 -1.24 -4.64 118.68 118.49 1xa3 s LEU 66 Ca 0.00 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1xa3 s LEU 66 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1xa3 s LEU 66 CO 0.00 0.09 0.09 -1.00 0.23 0.00 0.00 176.35 175.76 1xa3 s HIS 67 N -1.67 3.37 -0.20 0.29 3.76 -0.46 -4.43 115.29 115.94 1xa3 s HIS 67 Ca 0.29 0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 55.49 1xa3 s HIS 67 Cb -0.10 -1.82 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 1xa3 s HIS 67 CO 0.22 0.59 -0.08 0.00 -0.85 0.00 0.00 174.74 174.62 1xa3 s ALA 68 N -1.08 2.71 -0.13 -1.40 0.00 -1.26 -0.05 121.76 120.54 1xa3 s ALA 68 Ca 0.19 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1xa3 s ALA 68 Cb -0.12 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1xa3 s ALA 68 CO 0.08 -0.29 -0.15 -1.17 0.00 0.00 0.00 175.76 174.23 1xa3 s LEU 69 N 1.24 2.57 -0.27 0.00 2.96 -0.14 -0.88 118.68 124.15 1xa3 s LEU 69 Ca 0.03 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 1xa3 s LEU 69 Cb -0.14 -1.57 0.04 0.00 0.50 0.00 0.00 46.19 45.02 1xa3 s LEU 69 CO -0.03 0.16 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.55 1xa3 s SER 70 N 0.40 4.50 -0.27 3.68 0.15 -1.26 -0.68 113.70 120.21 1xa3 s SER 70 Ca -0.12 -1.12 -0.17 0.00 0.70 0.00 0.00 55.95 55.24 1xa3 s SER 70 Cb -0.16 -1.65 0.08 0.00 -1.71 0.00 0.00 66.02 62.58 1xa3 s SER 70 CO 0.06 -0.18 0.68 -0.22 1.20 0.00 0.00 173.24 174.77 1xa3 s LEU 71 N 1.25 -0.86 -0.72 3.45 2.96 -0.88 -1.51 118.68 122.37 1xa3 s LEU 71 Ca -0.04 1.47 -0.24 0.00 -0.22 0.00 0.00 54.13 55.10 1xa3 s LEU 71 Cb -0.18 2.34 0.05 0.00 0.50 0.00 0.00 46.19 48.90 1xa3 s LEU 71 CO -0.04 -0.24 1.13 0.21 -1.32 0.00 0.00 176.35 176.09 1xa3 s ASN 72 N 1.41 6.19 0.00 3.68 3.84 -0.12 -4.61 114.94 125.33 1xa3 s ASN 72 Ca -0.08 -0.80 0.29 0.00 0.21 0.00 0.00 52.86 52.47 1xa3 s ASN 72 Cb -0.05 -2.49 1.37 0.00 -0.55 0.00 0.00 41.25 39.53 1xa3 s ASN 72 CO -0.16 -1.61 1.97 2.30 -2.79 0.00 0.00 177.10 176.81 1xa3 n ILE 73 N 6.15 0.06 0.14 -5.21 -5.35 -1.26 -3.05 119.36 110.84 1xa3 n ILE 73 Ca 0.02 0.01 0.10 0.00 -0.27 0.00 0.00 62.75 62.61 1xa3 n ILE 73 Cb 0.47 -0.53 -0.16 0.00 -1.74 0.00 0.00 39.64 37.68 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 -1.36 0.00 -4.53 4.28 3.72 -1.26 -3.71 117.46 114.59 1xa3 n PHE 74 Ca 0.11 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.18 1xa3 n PHE 74 Cb 0.26 -0.40 -0.15 0.00 -0.94 0.00 0.00 39.48 38.25 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 -3.37 3.23 3.46 -1.08 2.20 -1.24 -4.72 119.74 118.21 1xa3 s LYS 75 Ca -0.05 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1xa3 s LYS 75 Cb 0.14 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1xa3 s LYS 75 CO 0.86 0.02 0.00 -0.25 -0.36 0.00 0.00 175.35 175.63 1xa3 n ASP 76 N 4.04 0.00 0.24 1.43 8.00 -1.26 -1.34 116.55 127.65 1xa3 n ASP 76 Ca -0.19 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.43 1xa3 n ASP 76 Cb 0.52 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 42.08 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 0.00 -0.57 -1.24 3.07 -1.97 -2.45 114.58 111.42 1xa3 h GLU 77 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xa3 h GLU 77 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1xa3 h GLU 77 CO 0.00 0.13 0.34 0.78 -1.40 0.00 0.00 179.01 178.86 1xa3 h GLY 78 N 2.46 0.82 1.00 -3.84 0.00 -1.37 -1.70 103.07 100.45 1xa3 h GLY 78 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1xa3 h GLY 78 CO 0.02 0.33 0.33 -0.09 0.00 0.00 0.00 176.54 177.13 1xa3 h ARG 79 N 0.76 0.97 -0.79 4.80 2.43 -1.12 -1.09 114.38 120.34 1xa3 h ARG 79 Ca 0.20 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1xa3 h ARG 79 Cb -0.01 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 1xa3 h ARG 79 CO -0.04 0.76 0.41 1.49 -1.51 0.00 0.00 179.97 181.08 1xa3 h GLU 80 N 0.93 1.11 -0.34 0.20 4.81 -1.25 -1.03 114.58 119.01 1xa3 h GLU 80 Ca 0.23 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 1xa3 h GLU 80 Cb 0.11 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1xa3 h GLU 80 CO -0.03 0.84 -0.28 0.00 -0.73 0.00 0.00 179.01 178.81 1xa3 h ALA 81 N 1.21 0.50 -0.38 2.92 0.00 -1.12 -1.63 119.26 120.77 1xa3 h ALA 81 Ca 0.27 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xa3 h ALA 81 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1xa3 h ALA 81 CO -0.04 0.51 0.20 0.35 0.00 0.00 0.00 179.25 180.27 1xa3 h PHE 82 N 0.58 0.37 -0.05 0.00 3.57 -0.97 -0.97 116.94 119.47 1xa3 h PHE 82 Ca 0.06 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1xa3 h PHE 82 Cb 0.85 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1xa3 h PHE 82 CO 0.07 0.20 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.85 1xa3 h LEU 83 N 0.41 0.11 -0.45 0.59 3.38 -1.12 -2.24 115.31 115.99 1xa3 h LEU 83 Ca 0.16 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1xa3 h LEU 83 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xa3 h LEU 83 CO -0.10 0.52 0.15 0.50 0.09 0.00 0.00 178.44 179.61 1xa3 h LYS 84 N 0.09 0.69 -1.95 1.13 1.63 -1.01 -3.12 116.57 114.01 1xa3 h LYS 84 Ca 0.01 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1xa3 h LYS 84 Cb 0.79 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 1xa3 h LYS 84 CO 0.06 0.66 0.00 -0.11 -3.45 0.00 0.00 179.45 176.60 1xa3 n LEU 85 N -4.57 0.00 0.00 5.20 7.94 -0.39 -4.15 117.00 121.04 1xa3 n LEU 85 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1xa3 n LEU 85 Cb 0.18 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.13 1xa3 n LEU 85 CO 0.38 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.04 1xa3 n GLU 87 N 1.51 0.00 -0.15 1.96 1.02 -1.18 -2.80 120.64 120.99 1xa3 n GLU 87 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1xa3 n GLU 87 Cb 0.00 -0.56 0.14 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.06 1.76 -3.59 2.62 -2.24 -1.26 -4.86 114.28 106.64 1xa3 n THR 88 Ca 0.00 -1.86 -0.37 0.00 -2.27 0.00 0.00 64.05 59.55 1xa3 n THR 88 Cb 0.00 -0.06 -0.07 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.40 5.28 -0.06 4.28 2.01 -1.12 -4.81 115.64 118.83 1xa3 s THR 89 Ca 0.28 0.55 -0.13 0.00 0.31 0.00 0.00 61.69 62.70 1xa3 s THR 89 Cb 0.23 -3.61 -0.30 0.00 0.01 0.00 0.00 72.50 68.83 1xa3 s THR 89 CO 0.05 0.47 0.67 0.44 -0.69 0.00 0.00 174.62 175.56 1xa3 h ASP 90 N 5.95 0.58 -3.60 3.53 3.32 -1.50 -3.44 116.42 121.27 1xa3 h ASP 90 Ca -0.46 -0.92 -0.33 0.00 0.02 0.00 0.00 57.03 55.34 1xa3 h ASP 90 Cb 1.19 -0.19 -0.32 0.00 0.22 0.00 0.00 39.33 40.23 1xa3 h ASP 90 CO 0.70 1.74 -0.75 -0.63 -1.72 0.00 0.00 179.24 178.57 1xa3 s ILE 91 N -2.55 0.23 -0.15 0.35 1.01 -1.01 -2.19 121.20 116.90 1xa3 s ILE 91 Ca -0.16 -0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1xa3 s ILE 91 Cb 0.05 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1xa3 s ILE 91 CO 0.84 0.13 -0.15 0.12 0.00 0.00 0.00 174.94 175.88 1xa3 s PHE 92 N 0.68 2.18 -0.13 3.97 5.36 0.37 -1.31 117.98 129.09 1xa3 s PHE 92 Ca -0.07 -1.21 -0.02 0.00 -0.96 0.00 0.00 56.93 54.68 1xa3 s PHE 92 Cb -0.10 -1.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.96 1xa3 s PHE 92 CO -0.01 -0.65 -0.08 0.42 -1.46 0.00 0.00 175.22 173.44 1xa3 s ILE 93 N 1.41 3.54 -0.01 3.12 1.01 -0.36 -1.05 121.20 128.86 1xa3 s ILE 93 Ca 0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.19 1xa3 s ILE 93 Cb -0.13 -2.52 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1xa3 s ILE 93 CO -0.10 0.52 0.01 -1.83 0.00 0.00 0.00 174.94 173.55 1xa3 s GLU 94 N 0.22 -0.01 -0.19 2.79 4.04 -0.20 -0.91 118.70 124.45 1xa3 s GLU 94 Ca -0.05 0.07 -0.02 0.00 0.04 0.00 0.00 54.97 55.00 1xa3 s GLU 94 Cb -0.14 -0.08 -0.01 0.00 0.02 0.00 0.00 34.13 33.92 1xa3 s GLU 94 CO 0.04 -0.05 -0.08 0.00 -1.84 0.00 0.00 175.26 173.33 1xa3 s ALA 95 N 0.34 2.74 0.37 -0.84 0.00 -0.64 -0.76 121.76 122.97 1xa3 s ALA 95 Ca -0.03 -1.07 -0.13 0.00 0.00 0.00 0.00 51.96 50.73 1xa3 s ALA 95 Cb -0.04 -1.52 0.04 0.00 0.00 0.00 0.00 23.12 21.60 1xa3 s ALA 95 CO -0.01 -0.20 0.72 -1.54 0.00 0.00 0.00 175.76 174.73 1xa3 s SER 96 N 1.08 0.20 -1.02 0.00 1.04 -0.82 -4.59 113.70 109.60 1xa3 s SER 96 Ca 0.01 -1.20 -0.22 0.00 0.48 0.00 0.00 55.95 55.01 1xa3 s SER 96 Cb -0.15 0.81 0.06 0.00 0.10 0.00 0.00 66.02 66.84 1xa3 s SER 96 CO -0.01 -1.59 1.42 -0.54 0.98 0.00 0.00 173.24 173.49 1xa3 s LYS 97 N -2.53 3.60 4.07 4.02 1.02 -1.26 -4.25 119.74 124.42 1xa3 s LYS 97 Ca 0.19 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.95 1xa3 s LYS 97 Cb -0.04 -5.31 0.00 0.00 -0.52 0.00 0.00 37.83 31.95 1xa3 s LYS 97 CO 0.13 -2.16 0.00 0.41 -0.92 0.00 0.00 175.35 172.81 1xa3 n GLY 98 N 6.68 0.90 2.16 -3.33 0.00 -1.24 -3.51 105.19 106.85 1xa3 n GLY 98 Ca 0.32 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 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 3.80 2.34 -0.24 1.61 -0.04 -1.26 -4.57 135.00 136.64 1xa3 n PRO 99 Ca 0.00 -1.52 -0.03 0.00 -0.04 0.00 0.00 63.50 61.91 1xa3 n PRO 99 Cb 0.00 -2.13 0.15 0.00 -0.04 0.00 0.00 33.50 31.48 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 3.24 1.22 -0.45 0.55 0.00 -1.91 -2.17 119.26 119.73 1xa3 h ALA 100 Ca 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xa3 h ALA 100 Cb 1.17 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xa3 h ALA 100 CO 0.57 0.60 0.26 0.74 0.00 0.00 0.00 179.25 181.42 1xa3 h PHE 101 N 1.07 0.60 -0.19 0.00 -1.00 -1.84 -0.86 116.94 114.72 1xa3 h PHE 101 Ca 0.26 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.05 1xa3 h PHE 101 Cb 0.11 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 1xa3 h PHE 101 CO 0.01 0.43 0.09 0.00 -1.61 0.00 0.00 178.31 177.23 1xa3 h ALA 102 N 1.11 0.22 -0.83 2.45 0.00 -1.47 0.11 119.26 120.86 1xa3 h ALA 102 Ca 0.16 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.19 1xa3 h ALA 102 Cb 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1xa3 h ALA 102 CO -0.03 -0.33 0.54 0.00 0.00 0.00 0.00 179.25 179.43 1xa3 h ARG 103 N 0.20 0.68 0.00 0.00 3.08 -1.01 -0.79 114.38 116.53 1xa3 h ARG 103 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1xa3 h ARG 103 Cb 0.02 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1xa3 h ARG 103 CO -0.06 0.45 0.00 0.54 -1.07 0.00 0.00 179.97 179.83 1xa3 n ARG 104 N -4.52 0.75 0.00 0.04 1.74 -0.36 -4.92 116.66 109.39 1xa3 n ARG 104 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1xa3 n ARG 104 Cb 0.39 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 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 1.09 0.53 3.12 -0.13 0.00 -0.30 -5.01 105.19 104.50 1xa3 n GLY 105 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 4.35 0.76 -0.61 1.01 0.34 -4.96 121.20 120.09 1xa3 s ILE 106 Ca 0.00 -3.64 -0.11 0.00 0.00 0.00 0.00 60.65 56.89 1xa3 s ILE 106 Cb 0.00 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.80 1xa3 s ILE 106 CO 0.00 -1.05 1.09 0.42 0.00 0.00 0.00 174.94 175.40 1xa3 s THR 107 N -1.07 3.32 0.43 2.92 -4.23 -1.26 -3.19 115.64 112.56 1xa3 s THR 107 Ca 0.25 0.43 0.10 0.00 -1.18 0.00 0.00 61.69 61.29 1xa3 s THR 107 Cb -0.10 -3.24 0.29 0.00 1.34 0.00 0.00 72.50 70.79 1xa3 s THR 107 CO -0.11 -0.56 2.04 0.44 -0.54 0.00 0.00 174.62 175.89 1xa3 h ASP 108 N -0.92 0.40 -0.62 3.99 3.32 -1.97 -2.25 116.42 118.37 1xa3 h ASP 108 Ca -0.46 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1xa3 h ASP 108 Cb 1.26 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1xa3 h ASP 108 CO 0.60 0.28 0.30 -0.33 -1.72 0.00 0.00 179.24 178.37 1xa3 h GLU 109 N 0.47 0.90 -0.32 3.56 3.07 -1.98 0.02 114.58 120.29 1xa3 h GLU 109 Ca 0.18 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1xa3 h GLU 109 Cb 0.14 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1xa3 h GLU 109 CO -0.04 0.72 0.15 0.28 -1.40 0.00 0.00 179.01 178.72 1xa3 h VAL 110 N 0.85 1.16 -0.43 3.13 2.07 -1.81 -1.14 116.25 120.09 1xa3 h VAL 110 Ca 0.21 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1xa3 h VAL 110 Cb 0.12 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1xa3 h VAL 110 CO -0.03 0.17 0.27 -0.07 0.02 0.00 0.00 177.57 177.93 1xa3 h LEU 111 N 0.39 0.45 -1.44 2.57 3.38 -0.98 -2.24 115.31 117.43 1xa3 h LEU 111 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1xa3 h LEU 111 Cb 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xa3 h LEU 111 CO -0.01 0.32 -0.03 -0.50 0.09 0.00 0.00 178.44 178.31 1xa3 h TRP 112 N 0.54 0.00 -0.43 1.13 6.55 -0.80 -1.08 115.95 121.87 1xa3 h TRP 112 Ca 0.17 0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.97 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 -0.06 0.03 0.11 1.96 -1.05 0.00 0.00 178.44 179.43 1xa3 h GLN 113 N 0.00 0.63 0.04 0.49 4.20 -0.58 -2.54 115.11 117.35 1xa3 h GLN 113 Ca -0.00 -0.11 -0.27 0.00 0.06 0.00 0.00 58.65 58.33 1xa3 h GLN 113 Cb 0.54 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1xa3 h GLN 113 CO 0.00 0.57 -1.40 0.45 -0.67 0.00 0.00 178.83 177.79 1xa3 h HIS 114 N 0.62 0.16 -1.53 2.96 3.86 -1.27 -3.44 115.15 116.51 1xa3 h HIS 114 Ca 0.14 -0.12 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 1xa3 h HIS 114 Cb 0.22 -0.01 -0.27 0.00 1.06 0.00 0.00 27.41 28.42 1xa3 h HIS 114 CO 0.01 1.14 -0.48 1.21 0.86 0.00 0.00 177.93 180.67 1xa3 s ASN 115 N -6.63 -0.17 0.13 2.45 2.47 -0.49 -4.26 114.94 108.43 1xa3 s ASN 115 Ca -0.04 -0.12 0.18 0.00 0.42 0.00 0.00 52.86 53.29 1xa3 s ASN 115 Cb 0.08 1.37 0.77 0.00 -1.45 0.00 0.00 41.25 42.03 1xa3 s ASN 115 CO 0.83 -0.33 1.55 -0.81 -3.72 0.00 0.00 177.10 174.62 1xa3 n PRO 116 N 5.37 0.09 0.00 0.43 -0.04 -0.97 -1.47 135.00 138.42 1xa3 n PRO 116 Ca 0.01 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1xa3 n PRO 116 Cb 0.51 -1.69 0.50 0.00 -0.04 0.00 0.00 33.50 32.77 1xa3 n PRO 116 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xa3 n LYS 117 N -1.87 0.25 -1.83 0.54 5.02 -1.26 -1.22 118.16 117.79 1xa3 n LYS 117 Ca 0.02 -0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 1xa3 n LYS 117 Cb 0.18 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1xa3 n LYS 117 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xa3 s LEU 118 N -2.81 4.36 -0.27 -0.35 2.96 -0.54 -3.95 118.68 118.08 1xa3 s LEU 118 Ca 0.18 2.82 -0.15 0.00 -0.22 0.00 0.00 54.13 56.77 1xa3 s LEU 118 Cb 0.19 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1xa3 s LEU 118 CO 0.56 -0.89 0.36 -0.69 -1.32 0.00 0.00 176.35 174.38 1xa3 s VAL 119 N 0.60 5.18 -0.19 1.68 1.01 -0.93 -1.76 120.40 125.99 1xa3 s VAL 119 Ca 0.68 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 1xa3 s VAL 119 Cb -0.47 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1xa3 s VAL 119 CO 0.39 0.15 -0.12 -0.63 0.00 0.00 0.00 175.10 174.89 1xa3 s ILE 120 N 2.05 2.78 -0.24 2.22 1.01 0.27 -0.47 121.20 128.82 1xa3 s ILE 120 Ca 0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 1xa3 s ILE 120 Cb -0.16 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1xa3 s ILE 120 CO 0.10 0.48 -0.02 0.00 0.00 0.00 0.00 174.94 175.51 1xa3 s ALA 121 N 1.26 2.86 -0.31 9.38 0.00 -0.21 -0.39 121.76 134.34 1xa3 s ALA 121 Ca 0.03 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 1xa3 s ALA 121 Cb -0.14 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1xa3 s ALA 121 CO -0.06 -0.61 0.13 -1.01 0.00 0.00 0.00 175.76 174.21 1xa3 s HIS 122 N 1.46 3.18 -0.26 0.00 3.76 0.63 -1.03 115.29 123.02 1xa3 s HIS 122 Ca 0.04 -0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 54.10 1xa3 s HIS 122 Cb -0.15 -2.33 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 1xa3 s HIS 122 CO -0.02 -0.53 0.07 -1.17 -0.85 0.00 0.00 174.74 172.24 1xa3 s LEU 123 N 1.56 3.53 0.22 0.89 0.20 0.06 -1.14 118.68 124.00 1xa3 s LEU 123 Ca 0.03 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.50 1xa3 s LEU 123 Cb -0.17 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 1xa3 s LEU 123 CO 0.05 -0.08 0.16 -0.94 -0.29 0.00 0.00 176.35 175.25 1xa3 s SER 124 N 1.58 0.38 0.15 3.68 1.04 -0.74 -1.94 113.70 117.85 1xa3 s SER 124 Ca 0.05 -1.44 -0.08 0.00 0.48 0.00 0.00 55.95 54.96 1xa3 s SER 124 Cb -0.16 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 1xa3 s SER 124 CO 0.03 -0.88 1.43 1.23 0.98 0.00 0.00 173.24 176.03 1xa3 h GLY 125 N 2.54 0.78 0.00 7.32 0.00 -1.84 -3.38 103.07 108.49 1xa3 h GLY 125 Ca -0.34 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.03 1xa3 h GLY 125 CO 0.50 0.85 0.00 0.69 0.00 0.00 0.00 176.54 178.59 1xa3 n PHE 126 N -3.96 0.00 0.00 5.60 3.72 -1.26 -2.77 117.46 118.78 1xa3 n PHE 126 Ca -0.04 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1xa3 n PHE 126 Cb 0.65 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 -0.12 1.20 0.08 1.37 0.00 -1.26 -4.75 105.19 101.71 1xa3 n GLY 127 Ca 0.00 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.10 1xa3 n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xa3 n GLN 128 N 1.25 0.28 -3.94 1.61 1.13 -1.26 -4.35 117.38 112.10 1xa3 n GLN 128 Ca 0.00 0.14 -0.10 0.00 -1.94 0.00 0.00 57.00 55.10 1xa3 n GLN 128 Cb 0.00 -1.73 -0.06 0.00 0.11 0.00 0.00 30.24 28.56 1xa3 n GLN 128 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1xa3 s TYR 129 N -3.14 0.33 0.00 1.08 -0.85 -1.26 -4.33 117.35 109.18 1xa3 s TYR 129 Ca 0.08 -0.68 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 1xa3 s TYR 129 Cb 0.13 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.53 1xa3 s TYR 129 CO 0.67 -0.81 0.00 0.41 -1.52 0.00 0.00 175.55 174.30 1xa3 n GLY 130 N -0.27 0.04 3.93 5.49 0.00 -1.26 -4.94 105.19 108.18 1xa3 n GLY 130 Ca -0.06 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.01 4.97 0.38 2.61 -4.23 -1.26 -4.96 115.64 112.14 1xa3 s THR 131 Ca 0.00 -0.25 0.09 0.00 -1.18 0.00 0.00 61.69 60.35 1xa3 s THR 131 Cb 0.00 -3.84 0.15 0.00 1.34 0.00 0.00 72.50 70.15 1xa3 s THR 131 CO 0.00 -0.64 1.90 -0.33 -0.54 0.00 0.00 174.62 175.02 1xa3 h GLU 132 N 0.56 0.24 -0.69 3.99 4.39 -2.00 -2.28 114.58 118.79 1xa3 h GLU 132 Ca -0.49 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.08 1xa3 h GLU 132 Cb 1.22 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 1xa3 h GLU 132 CO 0.61 0.39 0.14 1.49 -1.16 0.00 0.00 179.01 180.48 1xa3 h GLU 133 N 0.23 1.12 0.00 2.33 4.81 -2.03 -3.38 114.58 117.66 1xa3 h GLU 133 Ca 0.05 -0.29 -0.15 0.00 -0.13 0.00 0.00 59.36 58.84 1xa3 h GLU 133 Cb 0.39 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1xa3 h GLU 133 CO 0.02 1.01 -1.62 0.66 -0.73 0.00 0.00 179.01 178.35 1xa3 n TYR 134 N -4.22 0.00 -0.10 0.92 4.01 -1.21 -4.74 117.16 111.82 1xa3 n TYR 134 Ca 0.05 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.80 1xa3 n TYR 134 Cb 0.28 -0.43 0.31 0.00 -0.31 0.00 0.00 39.34 39.19 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 1.16 -0.56 -0.72 2.02 -1.58 -2.47 112.91 110.77 1xa3 h THR 135 Ca -0.22 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1xa3 h THR 135 Cb 1.41 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1xa3 h THR 135 CO 0.01 0.18 0.00 0.59 0.37 0.00 0.00 175.52 176.67 1xa3 n ASN 136 N -4.41 5.49 -4.85 4.18 5.03 -1.26 -3.73 115.26 115.72 1xa3 n ASN 136 Ca 0.05 -2.89 -0.32 0.00 0.87 0.00 0.00 54.58 52.29 1xa3 n ASN 136 Cb 0.09 -0.66 -0.04 0.00 -1.02 0.00 0.00 39.78 38.15 1xa3 n ASN 136 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xa3 s LEU 137 N -2.68 3.74 0.41 3.41 1.43 -0.93 -4.83 118.68 119.22 1xa3 s LEU 137 Ca 0.53 1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 54.83 1xa3 s LEU 137 Cb 0.40 -4.36 -0.10 0.00 0.03 0.00 0.00 46.19 42.16 1xa3 s LEU 137 CO 0.16 -0.49 1.16 -2.65 0.23 0.00 0.00 176.35 174.76 1xa3 n PRO 138 N -1.34 1.68 -3.26 1.29 -0.02 -1.26 -4.65 135.00 127.44 1xa3 n PRO 138 Ca 0.05 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 1xa3 n PRO 138 Cb 0.54 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 1xa3 n PRO 138 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xa3 s ALA 139 N -1.21 3.55 0.02 3.55 0.00 -1.26 -4.80 121.76 121.61 1xa3 s ALA 139 Ca 0.61 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 1xa3 s ALA 139 Cb -0.54 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1xa3 s ALA 139 CO 0.58 -0.86 -0.02 0.71 0.00 0.00 0.00 175.76 176.17 1xa3 s TYR 140 N 2.29 0.27 0.18 0.00 2.02 -1.26 -4.97 117.35 115.88 1xa3 s TYR 140 Ca 0.19 -0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 56.18 1xa3 s TYR 140 Cb -0.16 -0.20 0.14 0.00 -0.40 0.00 0.00 41.96 41.34 1xa3 s TYR 140 CO 0.10 -0.21 1.67 -0.97 -1.57 0.00 0.00 175.55 174.58 1xa3 h ASN 141 N 4.49 -0.30 -0.59 2.29 -0.73 -1.94 -0.83 115.58 117.98 1xa3 h ASN 141 Ca -0.32 0.12 -0.02 0.00 1.87 0.00 0.00 56.30 57.95 1xa3 h ASN 141 Cb 1.20 0.23 -0.03 0.00 0.27 0.00 0.00 38.32 40.00 1xa3 h ASN 141 CO 0.43 -0.10 0.29 0.71 -0.37 0.00 0.00 177.43 178.39 1xa3 h THR 142 N 0.05 1.21 -0.37 -3.57 1.35 -1.97 -1.62 112.91 107.99 1xa3 h THR 142 Ca 0.22 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 1xa3 h THR 142 Cb 0.33 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 1xa3 h THR 142 CO -0.41 0.23 0.19 0.40 -0.25 0.00 0.00 175.52 175.68 1xa3 h ILE 143 N 0.80 1.15 -0.91 6.82 2.04 -1.91 -0.30 117.51 125.20 1xa3 h ILE 143 Ca 0.20 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.66 1xa3 h ILE 143 Cb 0.10 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1xa3 h ILE 143 CO -0.03 0.16 0.59 0.00 0.00 0.00 0.00 178.15 178.87 1xa3 h ALA 144 N 1.05 1.16 -0.39 1.87 0.00 -0.85 0.18 119.26 122.27 1xa3 h ALA 144 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xa3 h ALA 144 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xa3 h ALA 144 CO -0.02 0.57 0.03 1.96 0.00 0.00 0.00 179.25 181.80 1xa3 h GLN 145 N 1.24 0.67 -0.75 0.00 4.20 -1.07 -2.47 115.11 116.93 1xa3 h GLN 145 Ca 0.33 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1xa3 h GLN 145 Cb -0.12 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 1xa3 h GLN 145 CO -0.07 0.75 0.42 0.00 -0.67 0.00 0.00 178.83 179.25 1xa3 h ALA 146 N 0.90 0.96 0.00 3.87 0.00 -0.49 -1.79 119.26 122.71 1xa3 h ALA 146 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xa3 h ALA 146 Cb 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1xa3 h ALA 146 CO 0.01 0.47 -0.43 0.35 0.00 0.00 0.00 179.25 179.66 1xa3 h PHE 147 N 1.04 0.00 -0.03 0.00 3.57 -0.91 -3.29 116.94 117.33 1xa3 h PHE 147 Ca 0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1xa3 h PHE 147 Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1xa3 h PHE 147 CO -0.00 0.00 -0.09 -1.13 -2.23 0.00 0.00 178.31 174.86 1xa3 n SER 148 N -2.27 2.74 0.00 0.41 3.41 -0.94 -4.95 113.62 112.02 1xa3 n SER 148 Ca 0.04 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1xa3 n SER 148 Cb 0.45 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 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 1.31 0.65 0.20 5.00 0.00 -1.21 -4.31 105.19 106.83 1xa3 n GLY 149 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 0.83 -0.46 1.61 3.20 -1.75 -3.32 116.97 117.08 1xa3 h TYR 150 Ca 0.00 -0.32 -0.05 0.00 3.14 0.00 0.00 58.73 61.50 1xa3 h TYR 150 Cb 0.06 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1xa3 h TYR 150 CO 0.04 1.09 0.08 1.25 -1.64 0.00 0.00 178.16 178.98 1xa3 h LEU 151 N 0.33 0.73 -1.80 2.82 6.46 -1.64 -2.37 115.31 119.83 1xa3 h LEU 151 Ca -0.00 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 1xa3 h LEU 151 Cb 1.07 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1xa3 h LEU 151 CO 0.10 0.80 0.00 -0.29 -0.62 0.00 0.00 178.44 178.43 1xa3 h ILE 152 N 0.63 0.00 0.00 4.05 6.09 -1.82 -1.32 117.51 125.13 1xa3 h ILE 152 Ca 0.14 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1xa3 h ILE 152 Cb 0.38 1.01 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1xa3 h ILE 152 CO 0.01 0.00 -0.74 0.00 -3.07 0.00 0.00 178.15 174.34 1xa3 n GLN 153 N -2.73 0.04 -3.91 2.19 6.02 -0.90 -4.83 117.38 113.26 1xa3 n GLN 153 Ca -0.01 -0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1xa3 n GLN 153 Cb 0.15 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 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 -3.15 6.32 0.00 1.08 0.01 -0.50 -4.78 114.94 113.92 1xa3 s ASN 154 Ca 0.09 0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 1xa3 s ASN 154 Cb 0.17 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.94 1xa3 s ASN 154 CO 0.77 -0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.89 1xa3 n GLY 155 N -1.39 -1.80 3.98 0.66 0.00 -1.26 -4.34 105.19 101.04 1xa3 n GLY 155 Ca -0.08 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 43.91 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 6.03 0.24 1.61 -1.08 -0.29 -4.81 116.67 114.38 1xa3 s ASP 156 Ca 0.00 -0.09 -0.12 0.00 -0.52 0.00 0.00 52.55 51.82 1xa3 s ASP 156 Cb 0.00 -1.38 0.33 0.00 -1.46 0.00 0.00 42.92 40.41 1xa3 s ASP 156 CO 0.00 -0.39 1.48 0.52 0.52 0.00 0.00 175.17 177.30 1xa3 n VAL 157 N -1.64 -0.45 -0.71 1.11 0.31 -1.26 -1.33 118.33 114.35 1xa3 n VAL 157 Ca -0.02 2.20 0.08 0.00 -0.01 0.00 0.00 64.34 66.60 1xa3 n VAL 157 Cb 0.58 -2.98 0.28 0.00 -0.91 0.00 0.00 33.84 30.81 1xa3 n VAL 157 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xa3 n ASP 158 N -5.47 4.12 -3.38 4.52 8.00 -1.26 -4.80 116.55 118.28 1xa3 n ASP 158 Ca 0.12 -2.65 -0.17 0.00 0.71 0.00 0.00 54.79 52.81 1xa3 n ASP 158 Cb 0.43 -0.50 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 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 -2.18 0.48 1.36 -1.24 2.00 -0.44 -5.24 119.66 114.39 1xa3 s GLN 159 Ca 0.42 -0.48 -0.23 0.00 -2.00 0.00 0.00 55.36 53.07 1xa3 s GLN 159 Cb 0.30 -0.67 0.35 0.00 0.80 0.00 0.00 33.01 33.79 1xa3 s GLN 159 CO 0.15 -1.11 0.87 -0.35 -0.50 0.00 0.00 175.29 174.35 1xa3 n PRO 160 N 4.80 -4.43 -3.05 1.67 -0.05 -1.26 -1.13 135.00 131.55 1xa3 n PRO 160 Ca 0.04 -1.44 -0.31 0.00 -0.05 0.00 0.00 63.50 61.74 1xa3 n PRO 160 Cb 0.46 -1.76 -0.05 0.00 -0.05 0.00 0.00 33.50 32.11 1xa3 n PRO 160 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 175.50 173.31 1xa3 s PRO 162 N -5.05 3.88 0.51 0.54 0.02 -1.26 -4.85 135.00 128.79 1xa3 s PRO 162 Ca 0.64 0.54 -0.21 0.00 0.02 0.00 0.00 61.00 61.99 1xa3 s PRO 162 Cb -0.10 -2.44 -0.06 0.00 0.02 0.00 0.00 34.50 31.92 1xa3 s PRO 162 CO 0.53 0.09 1.20 0.00 -0.33 0.00 0.00 177.00 178.49 1xa3 s ALA 163 N -2.13 2.81 0.04 -1.55 0.00 -1.26 -4.88 121.76 114.78 1xa3 s ALA 163 Ca 0.52 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.49 1xa3 s ALA 163 Cb -0.10 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1xa3 s ALA 163 CO 0.24 -0.89 -0.06 0.12 0.00 0.00 0.00 175.76 175.17 1xa3 s PHE 164 N -1.56 0.55 -0.30 0.00 2.19 -1.26 -3.93 117.98 113.67 1xa3 s PHE 164 Ca 0.69 -0.53 -0.20 0.00 0.33 0.00 0.00 56.93 57.23 1xa3 s PHE 164 Cb -0.30 -0.34 -0.01 0.00 -1.31 0.00 0.00 43.02 41.06 1xa3 s PHE 164 CO 0.35 -0.12 0.59 -1.25 1.83 0.00 0.00 175.22 176.62 1xa3 s PRO 165 N -1.62 3.91 -1.43 10.12 0.04 -1.26 -4.78 135.00 139.97 1xa3 s PRO 165 Ca -0.11 0.26 -0.08 0.00 0.04 0.00 0.00 61.00 61.10 1xa3 s PRO 165 Cb -0.09 -3.72 0.02 0.00 0.04 0.00 0.00 34.50 30.75 1xa3 s PRO 165 CO -0.00 -0.53 0.99 0.66 0.04 0.00 0.00 177.00 178.16 1xa3 n TYR 166 N 5.80 -2.56 -0.34 0.56 4.01 -1.26 -4.84 117.16 118.52 1xa3 n TYR 166 Ca -0.02 0.86 0.16 0.00 -0.16 0.00 0.00 57.90 58.74 1xa3 n TYR 166 Cb 0.49 -4.73 0.37 0.00 -0.31 0.00 0.00 39.34 35.16 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 -2.25 0.60 0.00 -0.72 2.02 -1.87 -1.19 112.91 109.50 1xa3 h THR 167 Ca -0.56 -0.22 -0.09 0.00 0.77 0.00 0.00 66.41 66.32 1xa3 h THR 167 Cb 1.37 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1xa3 h THR 167 CO 0.58 0.12 -0.42 0.00 0.37 0.00 0.00 175.52 176.16 1xa3 h ALA 168 N 1.69 1.18 -0.42 6.16 0.00 -1.87 -1.73 119.26 124.27 1xa3 h ALA 168 Ca 0.61 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1xa3 h ALA 168 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1xa3 h ALA 168 CO -0.42 0.52 -0.20 -0.44 0.00 0.00 0.00 179.25 178.72 1xa3 h ASP 169 N 0.00 0.83 -0.18 0.00 3.32 -1.55 -1.69 116.42 117.14 1xa3 h ASP 169 Ca -0.00 -0.29 -0.13 0.00 0.02 0.00 0.00 57.03 56.62 1xa3 h ASP 169 Cb 0.80 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1xa3 h ASP 169 CO 0.05 1.01 -0.41 1.88 -1.72 0.00 0.00 179.24 180.06 1xa3 h TYR 170 N 0.72 0.76 -0.73 4.55 0.05 -1.47 -0.25 116.97 120.60 1xa3 h TYR 170 Ca 0.10 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.58 1xa3 h TYR 170 Cb 0.71 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.28 1xa3 h TYR 170 CO 0.04 1.04 0.37 0.74 -1.05 0.00 0.00 178.16 179.30 1xa3 h PHE 171 N 0.27 1.03 -0.19 4.88 0.05 -1.29 -0.54 116.94 121.15 1xa3 h PHE 171 Ca 0.00 -0.04 -0.12 0.00 3.82 0.00 0.00 57.97 61.63 1xa3 h PHE 171 Cb 1.01 -0.32 0.00 0.00 2.00 0.00 0.00 35.95 38.64 1xa3 h PHE 171 CO 0.09 0.75 -0.36 0.77 -0.18 0.00 0.00 178.31 179.38 1xa3 h SER 172 N 1.02 0.65 -0.25 2.17 0.02 -1.23 -0.85 113.55 115.07 1xa3 h SER 172 Ca 0.25 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1xa3 h SER 172 Cb 0.09 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1xa3 h SER 172 CO -0.04 1.07 0.07 1.23 -1.14 0.00 0.00 176.83 178.03 1xa3 h GLY 173 N 0.25 0.42 0.74 -3.77 0.00 -1.00 -1.87 103.07 97.84 1xa3 h GLY 173 Ca 0.01 -0.25 0.05 0.00 0.00 0.00 0.00 47.33 47.14 1xa3 h GLY 173 CO 0.08 0.24 0.44 -2.00 0.00 0.00 0.00 176.54 175.30 1xa3 h LEU 174 N 0.23 0.68 -1.01 3.11 5.85 -1.05 -2.31 115.31 120.81 1xa3 h LEU 174 Ca 0.08 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xa3 h LEU 174 Cb 0.25 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1xa3 h LEU 174 CO -0.00 0.45 0.64 0.74 -0.34 0.00 0.00 178.44 179.92 1xa3 h THR 175 N 0.82 1.26 -0.43 1.05 2.02 -1.00 -1.53 112.91 115.09 1xa3 h THR 175 Ca 0.32 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1xa3 h THR 175 Cb 0.14 -0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.35 1xa3 h THR 175 CO -0.16 0.25 0.27 0.00 0.37 0.00 0.00 175.52 176.25 1xa3 h ALA 176 N 1.37 0.54 -0.20 6.16 0.00 -0.82 0.11 119.26 126.42 1xa3 h ALA 176 Ca 0.36 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1xa3 h ALA 176 Cb -0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1xa3 h ALA 176 CO -0.08 0.02 -0.01 1.15 0.00 0.00 0.00 179.25 180.34 1xa3 h THR 177 N 0.57 0.85 -0.07 0.00 2.02 -1.15 -0.28 112.91 114.84 1xa3 h THR 177 Ca 0.15 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1xa3 h THR 177 Cb -0.02 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1xa3 h THR 177 CO -0.03 0.01 -0.02 0.74 0.37 0.00 0.00 175.52 176.58 1xa3 h THR 178 N 0.05 0.91 -0.44 3.16 2.02 -0.88 -1.41 112.91 116.33 1xa3 h THR 178 Ca 0.09 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.17 1xa3 h THR 178 Cb 0.12 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1xa3 h THR 178 CO -0.17 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.58 1xa3 h ALA 179 N 1.06 0.93 -0.58 6.16 0.00 -0.68 -1.67 119.26 124.48 1xa3 h ALA 179 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1xa3 h ALA 179 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xa3 h ALA 179 CO -0.08 0.62 0.23 0.00 0.00 0.00 0.00 179.25 180.02 1xa3 h ALA 180 N 1.12 0.76 -0.51 0.00 0.00 -0.88 -1.01 119.26 118.74 1xa3 h ALA 180 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xa3 h ALA 180 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1xa3 h ALA 180 CO 0.04 0.38 0.18 -0.07 0.00 0.00 0.00 179.25 179.78 1xa3 h LEU 181 N 0.80 0.67 -0.32 0.00 3.38 -0.97 -0.20 115.31 118.68 1xa3 h LEU 181 Ca 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xa3 h LEU 181 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xa3 h LEU 181 CO -0.01 0.63 0.08 0.00 0.09 0.00 0.00 178.44 179.22 1xa3 h ALA 182 N 1.47 0.42 -0.35 1.53 0.00 -0.92 -2.35 119.26 119.06 1xa3 h ALA 182 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xa3 h ALA 182 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xa3 h ALA 182 CO -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.29 1xa3 h ALA 183 N 0.91 1.30 -0.90 0.00 0.00 -0.98 -2.16 119.26 117.44 1xa3 h ALA 183 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xa3 h ALA 183 Cb 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1xa3 h ALA 183 CO 0.00 0.47 0.54 1.25 0.00 0.00 0.00 179.25 181.51 1xa3 h LEU 184 N 0.53 1.08 -0.59 0.00 5.85 -0.87 -1.09 115.31 120.23 1xa3 h LEU 184 Ca 0.11 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1xa3 h LEU 184 Cb 0.39 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1xa3 h LEU 184 CO 0.02 0.83 0.24 -0.74 -0.34 0.00 0.00 178.44 178.45 1xa3 h HIS 185 N 1.23 0.43 -0.47 1.25 2.76 -0.84 -1.71 115.15 117.80 1xa3 h HIS 185 Ca 0.32 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.45 1xa3 h HIS 185 Cb -0.05 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1xa3 h HIS 185 CO 0.00 0.14 0.01 -0.22 -1.30 0.00 0.00 177.93 176.56 1xa3 h LYS 186 N 0.44 0.76 -0.42 5.26 1.63 -1.14 -2.13 116.57 120.97 1xa3 h LYS 186 Ca 0.29 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1xa3 h LYS 186 Cb 0.32 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1xa3 h LYS 186 CO -0.27 0.76 0.24 0.28 -3.45 0.00 0.00 179.45 177.01 1xa3 h VAL 187 N 0.72 1.15 -0.06 2.00 2.07 -0.72 0.17 116.25 121.57 1xa3 h VAL 187 Ca 0.14 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1xa3 h VAL 187 Cb 0.42 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1xa3 h VAL 187 CO 0.02 0.16 -0.04 0.03 0.02 0.00 0.00 177.57 177.75 1xa3 h ARG 188 N 0.55 0.09 0.22 1.57 2.47 -0.81 0.25 114.38 118.72 1xa3 h ARG 188 Ca 0.15 -0.01 -0.34 0.00 -1.26 0.00 0.00 59.98 58.52 1xa3 h ARG 188 Cb 0.04 -0.02 0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1xa3 h ARG 188 CO -0.03 0.13 -1.57 0.93 0.56 0.00 0.00 179.97 180.00 1xa3 h GLU 189 N 0.09 0.46 0.00 0.04 4.39 -0.78 -3.42 114.58 115.36 1xa3 h GLU 189 Ca 0.02 -0.79 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1xa3 h GLU 189 Cb 0.13 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1xa3 h GLU 189 CO 0.01 1.38 -0.39 0.25 -1.16 0.00 0.00 179.01 179.10 1xa3 n THR 190 N -3.69 0.00 -0.98 1.13 -2.24 0.52 -5.02 114.28 104.00 1xa3 n THR 190 Ca -0.21 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1xa3 n THR 190 Cb 1.08 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 1.46 0.90 3.64 3.38 0.00 0.87 -5.02 105.19 110.41 1xa3 n GLY 191 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xa3 n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xa3 s LYS 192 N -0.02 3.99 0.37 1.61 2.20 -1.26 -4.19 119.74 122.44 1xa3 s LYS 192 Ca 0.00 -0.33 -0.06 0.00 -0.36 0.00 0.00 55.97 55.22 1xa3 s LYS 192 Cb 0.00 -3.29 0.09 0.00 -1.51 0.00 0.00 37.83 33.12 1xa3 s LYS 192 CO 0.00 0.22 0.33 0.41 -0.36 0.00 0.00 175.35 175.95 1xa3 n GLY 193 N 3.73 -2.50 3.41 5.54 0.00 -0.36 -4.02 105.19 110.99 1xa3 n GLY 193 Ca -0.16 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.75 1.01 -0.10 1.61 2.56 -0.72 -4.95 118.70 114.36 1xa3 s GLU 194 Ca 0.21 -0.13 0.03 0.00 0.00 0.00 0.00 54.97 55.09 1xa3 s GLU 194 Cb -0.02 0.47 0.01 0.00 2.00 0.00 0.00 34.13 36.58 1xa3 s GLU 194 CO 0.16 -0.35 -0.20 0.45 -0.56 0.00 0.00 175.26 174.77 1xa3 s SER 195 N -1.76 2.71 -0.15 -1.70 0.15 -1.26 -0.56 113.70 111.13 1xa3 s SER 195 Ca -0.07 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.11 1xa3 s SER 195 Cb -0.01 -1.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.07 1xa3 s SER 195 CO 0.01 0.09 -0.21 -0.63 1.20 0.00 0.00 173.24 173.70 1xa3 s ILE 196 N 0.62 2.11 -0.62 6.45 1.01 0.47 -4.98 121.20 126.26 1xa3 s ILE 196 Ca -0.14 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.45 1xa3 s ILE 196 Cb -0.17 -1.85 0.16 0.00 0.01 0.00 0.00 42.46 40.61 1xa3 s ILE 196 CO 0.04 0.55 0.52 -0.62 0.00 0.00 0.00 174.94 175.42 1xa3 s ASP 197 N 0.89 6.01 -0.48 3.58 2.15 -1.26 -0.27 116.67 127.27 1xa3 s ASP 197 Ca -0.05 -2.33 -0.17 0.00 0.43 0.00 0.00 52.55 50.43 1xa3 s ASP 197 Cb -0.15 -2.07 0.06 0.00 -0.30 0.00 0.00 42.92 40.46 1xa3 s ASP 197 CO -0.03 -0.61 0.49 -0.63 -0.17 0.00 0.00 175.17 174.22 1xa3 s ILE 198 N 0.73 5.08 0.00 4.11 1.09 -0.29 -4.94 121.20 126.97 1xa3 s ILE 198 Ca 0.11 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.89 1xa3 s ILE 198 Cb -0.21 -4.19 0.00 0.00 -1.06 0.00 0.00 42.46 37.00 1xa3 s ILE 198 CO -0.03 -0.66 0.00 0.00 -0.10 0.00 0.00 174.94 174.15 1xa3 n ALA 199 N 5.63 0.00 0.00 9.38 0.00 -1.26 -1.79 120.51 132.48 1xa3 n ALA 199 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xa3 n ALA 199 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 0.00 0.00 0.00 0.18 -1.12 -1.97 117.16 114.25 1xa3 n TYR 201 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 1xa3 n TYR 201 Cb 0.00 0.00 0.04 0.00 -0.38 0.00 0.00 39.34 39.00 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 0.58 0.00 -3.48 5.08 -1.94 0.52 114.58 115.34 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 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xa3 h GLU 202 CO 0.00 0.99 0.00 0.28 -1.00 0.00 0.00 179.01 179.28 1xa3 n VAL 203 N -3.95 0.00 0.00 3.13 0.31 -0.83 -2.48 118.33 114.50 1xa3 n VAL 203 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1xa3 n VAL 203 Cb 0.62 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 -0.11 0.00 -1.25 7.52 7.94 0.17 -4.78 117.00 126.49 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 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1xa3 n LEU 205 CO 0.00 0.00 0.06 -1.14 -1.11 0.00 0.00 177.39 175.20 1xa3 n ARG 206 N 0.00 0.10 -0.15 1.96 3.00 -1.04 -3.63 116.66 116.90 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 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.01 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 1.21 0.00 0.02 5.14 0.00 -1.26 -4.78 105.19 105.52 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 0.11 -0.14 1.61 1.13 -1.24 -4.52 117.38 114.33 1xa3 n GLN 209 Ca 0.00 0.02 -0.04 0.00 -1.94 0.00 0.00 57.00 55.04 1xa3 n GLN 209 Cb 0.00 -1.56 0.04 0.00 0.11 0.00 0.00 30.24 28.84 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 0.03 -3.38 1.08 3.20 -1.94 -3.43 116.97 112.54 1xa3 h TYR 210 Ca 0.00 0.03 -0.71 0.00 3.14 0.00 0.00 58.73 61.19 1xa3 h TYR 210 Cb 0.59 0.05 -0.20 0.00 1.54 0.00 0.00 36.73 38.71 1xa3 h TYR 210 CO 0.00 -0.06 -0.19 -0.06 -1.64 0.00 0.00 178.16 176.21 1xa3 s PHE 211 N -6.17 3.17 0.00 -3.82 0.08 -1.26 -5.08 117.98 104.90 1xa3 s PHE 211 Ca -0.13 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.30 1xa3 s PHE 211 Cb 0.15 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 1xa3 s PHE 211 CO 0.72 -0.82 0.00 -0.25 -0.10 0.00 0.00 175.22 174.77 1xa3 n ASP 214 N 5.60 0.00 -0.11 1.36 8.00 -1.26 -4.70 116.55 125.44 1xa3 n ASP 214 Ca -0.09 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.30 1xa3 n ASP 214 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.62 0.00 1.24 3.20 -1.73 0.42 116.97 120.72 1xa3 h TYR 215 Ca 0.00 -0.11 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 1xa3 h TYR 215 Cb 0.00 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1xa3 h TYR 215 CO 0.00 0.70 -0.01 0.74 -1.64 0.00 0.00 178.16 177.94 1xa3 h PHE 216 N 0.36 0.00 -1.18 -3.82 0.04 -1.89 -3.19 116.94 107.27 1xa3 h PHE 216 Ca 0.09 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.35 1xa3 h PHE 216 Cb 0.45 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 38.19 1xa3 h PHE 216 CO 0.04 0.01 -0.88 0.09 -0.60 0.00 0.00 178.31 176.97 1xa3 n ASN 217 N -3.18 3.79 0.00 2.17 3.02 -1.11 -4.96 115.26 114.99 1xa3 n ASN 217 Ca -0.02 -3.37 0.00 0.00 -0.03 0.00 0.00 54.58 51.16 1xa3 n ASN 217 Cb 0.16 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 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 -0.44 2.97 0.00 7.41 0.00 -1.17 -4.93 105.19 109.02 1xa3 n GLY 218 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.01 -0.94 0.00 -0.02 0.00 0.15 -4.98 105.19 99.39 1xa3 n GLY 219 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1xa3 n GLY 219 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xa3 n GLU 220 N -0.30 0.00 -4.49 1.61 2.13 -1.26 -4.20 120.64 114.13 1xa3 n GLU 220 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1xa3 n GLU 220 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 1xa3 n GLU 220 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xa3 s PRO 223 N -1.78 0.58 0.00 0.00 0.02 -1.26 -5.06 135.00 127.50 1xa3 s PRO 223 Ca 0.16 0.50 0.00 0.00 0.02 0.00 0.00 61.00 61.68 1xa3 s PRO 223 Cb -0.10 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.66 1xa3 s PRO 223 CO 0.07 -2.63 0.00 0.54 -0.33 0.00 0.00 177.00 174.66 1xa3 n ARG 224 N -4.10 0.00 -3.62 5.54 1.74 -1.26 -4.72 116.66 110.23 1xa3 n ARG 224 Ca 0.05 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.88 1xa3 n ARG 224 Cb 0.57 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.84 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 -1.44 2.33 -1.58 0.55 0.15 -1.14 -4.45 113.70 108.13 1xa3 s SER 226 Ca 0.00 -0.60 -0.14 0.00 0.70 0.00 0.00 55.95 55.91 1xa3 s SER 226 Cb 0.00 -0.25 0.10 0.00 -1.71 0.00 0.00 66.02 64.16 1xa3 s SER 226 CO 0.00 -0.34 0.90 0.29 1.20 0.00 0.00 173.24 175.29 1xa3 n LYS 227 N 5.27 -4.72 -0.56 5.44 5.02 -1.26 -1.29 118.16 126.05 1xa3 n LYS 227 Ca -0.07 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1xa3 n LYS 227 Cb 0.49 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 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 -1.61 0.92 3.79 0.72 0.00 -1.26 -4.70 105.19 103.05 1xa3 n GLY 228 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.37 4.45 0.30 1.61 1.02 -0.41 -1.80 119.74 124.53 1xa3 s LYS 229 Ca 0.00 1.12 -0.30 0.00 0.02 0.00 0.00 55.97 56.81 1xa3 s LYS 229 Cb 0.00 -2.89 -0.12 0.00 -0.52 0.00 0.00 37.83 34.30 1xa3 s LYS 229 CO 0.00 0.37 1.52 -3.47 -0.92 0.00 0.00 175.35 172.84 1xa3 n ASP 230 N 0.76 3.56 0.18 2.83 -0.08 -0.45 -2.89 116.55 120.46 1xa3 n ASP 230 Ca -0.01 1.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.58 1xa3 n ASP 230 Cb 0.50 -1.56 0.54 0.00 2.34 0.00 0.00 41.12 42.95 1xa3 n ASP 230 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xa3 h PRO 231 N 4.18 0.00 0.00 -0.67 0.13 -1.84 -3.34 132.00 130.46 1xa3 h PRO 231 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xa3 h PRO 231 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xa3 h PRO 231 CO 0.75 0.00 -0.94 0.98 -0.23 0.00 0.00 178.00 178.55 1xa3 n TYR 232 N -2.55 0.00 -4.07 1.56 9.36 -1.26 -4.69 117.16 115.51 1xa3 n TYR 232 Ca 0.02 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.91 1xa3 n TYR 232 Cb 0.28 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.83 1xa3 n TYR 232 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1xa3 s TYR 233 N -1.93 2.88 0.45 2.98 2.02 -1.26 -0.35 117.35 122.14 1xa3 s TYR 233 Ca 0.00 -1.60 -0.23 0.00 -0.37 0.00 0.00 57.07 54.87 1xa3 s TYR 233 Cb 0.00 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.52 1xa3 s TYR 233 CO 0.00 -0.77 1.13 0.00 -1.57 0.00 0.00 175.55 174.34 1xa3 s ALA 234 N 1.30 2.99 -0.48 3.71 0.00 -0.37 -3.23 121.76 125.68 1xa3 s ALA 234 Ca 0.03 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1xa3 s ALA 234 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1xa3 s ALA 234 CO -0.10 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1xa3 n GLY 235 N 0.38 0.72 3.13 0.00 0.00 -1.26 -4.61 105.19 103.54 1xa3 n GLY 235 Ca 0.07 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 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 3.54 0.31 3.74 0.00 0.00 -1.26 -1.34 105.19 110.17 1xa3 n GLY 237 Ca -0.20 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.33 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 4.36 0.10 0.99 2.96 -0.75 -4.24 118.68 122.10 1xa3 s LEU 238 Ca 0.00 1.07 0.02 0.00 -0.22 0.00 0.00 54.13 55.00 1xa3 s LEU 238 Cb 0.00 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 1xa3 s LEU 238 CO 0.00 0.04 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.69 1xa3 s TYR 239 N 0.20 0.89 -0.20 5.38 2.02 -0.02 -4.37 117.35 121.25 1xa3 s TYR 239 Ca 0.31 -0.90 -0.06 0.00 -0.37 0.00 0.00 57.07 56.05 1xa3 s TYR 239 Cb -0.17 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 1xa3 s TYR 239 CO 0.15 -0.14 0.02 0.21 -1.57 0.00 0.00 175.55 174.23 1xa3 s LYS 240 N -3.77 3.69 0.52 -0.62 2.20 -1.26 -1.53 119.74 118.96 1xa3 s LYS 240 Ca 0.11 -0.48 0.07 0.00 -0.36 0.00 0.00 55.97 55.31 1xa3 s LYS 240 Cb 0.05 -3.14 0.09 0.00 -1.51 0.00 0.00 37.83 33.31 1xa3 s LYS 240 CO -0.05 0.03 0.71 0.00 -0.36 0.00 0.00 175.35 175.69 1xa3 h ALA 242 N 0.05 1.28 0.00 0.00 0.00 -0.86 -3.25 119.26 116.47 1xa3 h ALA 242 Ca -0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1xa3 h ALA 242 Cb 1.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1xa3 h ALA 242 CO 0.33 0.35 -0.33 -0.40 0.00 0.00 0.00 179.25 179.20 1xa3 n ASP 243 N -4.57 1.90 0.00 0.00 5.75 -1.26 -5.03 116.55 113.34 1xa3 n ASP 243 Ca 0.14 -3.51 0.00 0.00 -0.01 0.00 0.00 54.79 51.41 1xa3 n ASP 243 Cb 0.18 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 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 -1.17 0.18 3.91 6.12 0.00 -1.23 -4.89 105.19 108.12 1xa3 n GLY 244 Ca 0.17 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.55 3.53 0.13 1.61 2.02 -1.26 -0.16 117.35 120.67 1xa3 s TYR 245 Ca 0.00 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.99 1xa3 s TYR 245 Cb 0.00 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1xa3 s TYR 245 CO 0.00 0.60 -0.01 0.96 -1.57 0.00 0.00 175.55 175.54 1xa3 s ILE 246 N -1.46 0.51 0.52 2.71 -4.36 -0.58 -2.09 121.20 116.43 1xa3 s ILE 246 Ca 0.33 -1.93 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 1xa3 s ILE 246 Cb -0.13 -1.91 0.01 0.00 1.25 0.00 0.00 42.46 41.68 1xa3 s ILE 246 CO 0.26 -0.65 0.27 0.68 0.24 0.00 0.00 174.94 175.74 1xa3 s VAL 247 N -3.76 1.61 -0.29 8.37 -7.23 0.11 -0.84 120.40 118.37 1xa3 s VAL 247 Ca 0.19 -1.65 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1xa3 s VAL 247 Cb 0.06 -2.26 0.20 0.00 0.56 0.00 0.00 36.38 34.94 1xa3 s VAL 247 CO -0.01 0.00 0.69 -1.61 -0.31 0.00 0.00 175.10 173.86 1xa3 s GLU 249 N -4.13 0.47 -1.04 4.82 0.41 -0.58 -1.56 118.70 117.10 1xa3 s GLU 249 Ca 0.27 0.52 -0.20 0.00 -0.41 0.00 0.00 54.97 55.14 1xa3 s GLU 249 Cb -0.01 0.25 0.08 0.00 -1.78 0.00 0.00 34.13 32.68 1xa3 s GLU 249 CO 0.16 -0.84 1.39 -1.17 -0.49 0.00 0.00 175.26 174.32 1xa3 s LEU 250 N 2.86 4.11 -0.05 1.80 2.96 -0.47 -3.96 118.68 125.93 1xa3 s LEU 250 Ca 0.14 -1.86 0.02 0.00 -0.22 0.00 0.00 54.13 52.21 1xa3 s LEU 250 Cb -0.09 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.11 1xa3 s LEU 250 CO -0.24 -1.28 -0.07 -0.69 -1.32 0.00 0.00 176.35 172.74 1xa3 s VAL 251 N 3.97 0.75 0.00 1.68 1.01 -1.26 -4.58 120.40 121.97 1xa3 s VAL 251 Ca 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1xa3 s VAL 251 Cb -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1xa3 s VAL 251 CO -0.07 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1xa3 n GLY 252 N 3.90 3.20 0.17 4.51 0.00 0.12 -4.74 105.19 112.35 1xa3 n GLY 252 Ca -0.24 -1.80 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 0.82 0.01 -0.61 2.04 -1.82 -1.73 117.51 116.21 1xa3 h ILE 253 Ca 0.00 -0.48 -0.20 0.00 1.00 0.00 0.00 64.86 65.19 1xa3 h ILE 253 Cb 0.00 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1xa3 h ILE 253 CO 0.00 0.10 -0.91 0.71 0.00 0.00 0.00 178.15 178.05 1xa3 h THR 254 N -0.58 1.59 -0.17 -0.27 1.35 -1.93 -1.96 112.91 110.94 1xa3 h THR 254 Ca -0.03 -2.92 0.05 0.00 -0.55 0.00 0.00 66.41 62.95 1xa3 h THR 254 Cb 0.42 2.61 -0.05 0.00 -1.73 0.00 0.00 68.15 69.40 1xa3 h THR 254 CO 0.06 0.84 -0.16 1.56 -0.25 0.00 0.00 175.52 177.56 1xa3 h GLN 255 N 0.04 -0.18 -0.28 4.72 7.50 -1.77 0.13 115.11 125.26 1xa3 h GLN 255 Ca -0.03 0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.10 1xa3 h GLN 255 Cb 1.58 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 29.14 1xa3 h GLN 255 CO 0.13 -0.12 0.05 0.82 -1.50 0.00 0.00 178.83 178.21 1xa3 h ILE 256 N -0.19 1.23 0.27 2.54 2.04 -1.15 -1.86 117.51 120.39 1xa3 h ILE 256 Ca 0.11 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1xa3 h ILE 256 Cb 0.35 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1xa3 h ILE 256 CO -0.28 0.25 -0.13 -0.33 0.00 0.00 0.00 178.15 177.66 1xa3 h GLU 257 N 0.29 -0.35 -0.15 2.37 5.08 -1.02 -0.74 114.58 120.06 1xa3 h GLU 257 Ca 0.09 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 1xa3 h GLU 257 Cb 0.32 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1xa3 h GLU 257 CO 0.00 -0.23 -0.52 0.93 -1.00 0.00 0.00 179.01 178.19 1xa3 h GLU 258 N -0.36 0.41 -0.38 2.33 4.39 -0.80 -1.25 114.58 118.92 1xa3 h GLU 258 Ca -0.04 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 1xa3 h GLU 258 Cb 0.28 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1xa3 h GLU 258 CO 0.06 0.83 0.02 0.00 -1.16 0.00 0.00 179.01 178.77 1xa3 h PHE 260 N 0.48 1.12 -0.53 0.00 -1.00 -0.87 -1.34 116.94 114.79 1xa3 h PHE 260 Ca 0.11 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.82 1xa3 h PHE 260 Cb 0.43 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 1xa3 h PHE 260 CO 0.03 0.78 0.14 0.87 -1.61 0.00 0.00 178.31 178.52 1xa3 h LYS 261 N 1.15 0.83 -0.86 1.51 1.57 -1.00 0.21 116.57 119.98 1xa3 h LYS 261 Ca 0.29 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1xa3 h LYS 261 Cb 0.03 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1xa3 h LYS 261 CO -0.05 0.78 0.57 -0.44 -0.57 0.00 0.00 179.45 179.75 1xa3 h ASP 262 N 0.73 0.98 0.13 0.86 3.32 -0.48 -3.01 116.42 118.95 1xa3 h ASP 262 Ca 0.17 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1xa3 h ASP 262 Cb 0.31 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1xa3 h ASP 262 CO -0.00 0.71 -0.38 2.30 -1.72 0.00 0.00 179.24 180.15 1xa3 n ILE 263 N -4.41 0.00 0.00 0.35 -5.35 -0.58 -4.94 119.36 104.43 1xa3 n ILE 263 Ca 0.10 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1xa3 n ILE 263 Cb 0.03 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 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 1.38 1.41 0.57 3.28 0.00 -0.85 -4.82 105.19 106.16 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 2.40 -0.05 0.99 4.77 0.68 -4.77 117.00 121.02 1xa3 n LEU 265 Ca 0.00 -3.48 0.15 0.00 -0.03 0.00 0.00 56.01 52.66 1xa3 n LEU 265 Cb 0.00 -0.45 0.58 0.00 -2.33 0.00 0.00 43.42 41.22 1xa3 n LEU 265 CO 0.00 1.14 1.18 0.00 -1.33 0.00 0.00 177.39 178.39 1xa3 h ALA 266 N 0.76 2.21 0.00 -1.18 0.00 -1.84 -1.23 119.26 117.98 1xa3 h ALA 266 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xa3 h ALA 266 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1xa3 h ALA 266 CO 0.01 -0.36 0.00 -2.39 0.00 0.00 0.00 179.25 176.51 1xa3 n HIS 267 N -4.44 0.47 0.72 0.00 1.44 -1.26 -2.14 115.22 110.00 1xa3 n HIS 267 Ca 0.10 0.20 0.13 0.00 -2.01 0.00 0.00 57.72 56.14 1xa3 n HIS 267 Cb 0.47 -0.82 0.41 0.00 0.12 0.00 0.00 29.99 30.18 1xa3 n HIS 267 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xa3 n LEU 268 N -1.94 0.61 -4.79 2.39 4.77 -0.46 -4.93 117.00 112.65 1xa3 n LEU 268 Ca 0.02 0.48 -0.36 0.00 -0.03 0.00 0.00 56.01 56.12 1xa3 n LEU 268 Cb 0.16 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 1xa3 n LEU 268 CO 0.14 -0.11 0.71 -0.76 -1.33 0.00 0.00 177.39 176.04 1xa3 s LEU 269 N -4.08 4.17 -0.92 2.23 1.43 -0.91 -3.80 118.68 116.80 1xa3 s LEU 269 Ca 0.11 1.95 -0.05 0.00 -1.03 0.00 0.00 54.13 55.11 1xa3 s LEU 269 Cb 0.14 -4.17 0.01 0.00 0.03 0.00 0.00 46.19 42.20 1xa3 s LEU 269 CO 0.60 -0.37 0.73 0.61 0.23 0.00 0.00 176.35 178.15 1xa3 n GLY 270 N 0.31 -0.05 3.45 -3.19 0.00 -1.11 -4.99 105.19 99.61 1xa3 n GLY 270 Ca 0.04 -0.08 -0.22 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 -3.17 1.84 0.46 2.61 -4.23 -0.96 -4.80 115.64 107.39 1xa3 s THR 271 Ca 0.36 -2.17 0.22 0.00 -1.18 0.00 0.00 61.69 58.93 1xa3 s THR 271 Cb -0.16 -2.46 0.41 0.00 1.34 0.00 0.00 72.50 71.63 1xa3 s THR 271 CO 0.45 -0.30 1.88 -0.65 -0.54 0.00 0.00 174.62 175.45 1xa3 h PRO 272 N 2.23 0.24 0.01 3.99 0.11 -1.96 0.33 132.00 136.96 1xa3 h PRO 272 Ca -0.40 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.46 1xa3 h PRO 272 Cb 1.24 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1xa3 h PRO 272 CO 0.67 0.16 -1.13 0.93 -0.21 0.00 0.00 178.00 178.42 1xa3 h GLU 273 N 0.25 0.03 -2.44 1.05 3.07 -1.95 -3.36 114.58 111.23 1xa3 h GLU 273 Ca 0.44 -0.05 -0.59 0.00 -0.50 0.00 0.00 59.36 58.65 1xa3 h GLU 273 Cb 1.32 0.02 -0.39 0.00 -0.84 0.00 0.00 28.75 28.86 1xa3 h GLU 273 CO -0.11 0.95 -0.92 -0.89 -1.40 0.00 0.00 179.01 176.64 1xa3 n ILE 274 N -3.33 -0.69 -1.69 3.13 2.08 -0.98 -4.83 119.36 113.06 1xa3 n ILE 274 Ca -0.04 -3.72 -0.37 0.00 0.56 0.00 0.00 62.75 59.18 1xa3 n ILE 274 Cb 0.97 -1.76 0.06 0.00 -0.75 0.00 0.00 39.64 38.15 1xa3 n ILE 274 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1xa3 n PRO 275 N 2.55 1.09 -1.64 0.38 -0.02 0.07 -2.26 135.00 135.18 1xa3 n PRO 275 Ca 0.28 0.42 -0.45 0.00 -2.02 0.00 0.00 63.50 61.73 1xa3 n PRO 275 Cb 0.46 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1xa3 n PRO 275 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1xa3 n GLU 276 N -1.54 1.74 -0.74 -0.52 2.13 -1.26 -1.76 120.64 118.69 1xa3 n GLU 276 Ca 0.15 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1xa3 n GLU 276 Cb 0.47 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.01 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 1.76 0.70 3.72 8.31 0.00 -1.26 -5.03 105.19 113.40 1xa3 n GLY 277 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.45 2.51 -0.13 2.61 2.01 -0.72 -4.87 115.64 114.60 1xa3 s THR 278 Ca 0.00 0.37 0.18 0.00 0.31 0.00 0.00 61.69 62.55 1xa3 s THR 278 Cb 0.00 -3.24 -0.27 0.00 0.01 0.00 0.00 72.50 69.00 1xa3 s THR 278 CO 0.00 0.03 0.21 0.00 -0.69 0.00 0.00 174.62 174.17 1xa3 n GLN 279 N 3.88 0.78 -3.57 4.92 6.02 -1.26 -3.97 117.38 124.18 1xa3 n GLN 279 Ca 0.14 -0.08 -0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1xa3 n GLN 279 Cb 0.38 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.11 1xa3 n GLN 279 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1xa3 s LEU 280 N -5.04 -1.18 -0.26 1.08 2.96 -1.26 0.12 118.68 115.11 1xa3 s LEU 280 Ca -0.09 1.46 -0.27 0.00 -0.22 0.00 0.00 54.13 55.02 1xa3 s LEU 280 Cb 0.09 2.28 0.00 0.00 0.50 0.00 0.00 46.19 49.06 1xa3 s LEU 280 CO 0.81 -0.22 0.94 -0.63 -1.32 0.00 0.00 176.35 175.93 1xa3 s ILE 281 N 2.89 4.72 -0.53 6.68 1.01 -1.26 -5.02 121.20 129.69 1xa3 s ILE 281 Ca -0.02 1.73 -0.22 0.00 0.00 0.00 0.00 60.65 62.14 1xa3 s ILE 281 Cb -0.12 -4.24 0.05 0.00 0.01 0.00 0.00 42.46 38.15 1xa3 s ILE 281 CO -0.19 -0.19 0.80 -1.00 0.00 0.00 0.00 174.94 174.35 1xa3 s HIS 282 N 3.11 2.91 0.07 3.97 3.76 -1.26 -1.24 115.29 126.61 1xa3 s HIS 282 Ca 0.40 -0.22 -0.20 0.00 -0.15 0.00 0.00 55.06 54.88 1xa3 s HIS 282 Cb -0.15 -3.82 -0.11 0.00 1.11 0.00 0.00 32.58 29.62 1xa3 s HIS 282 CO 0.08 -1.19 1.52 -0.09 -0.85 0.00 0.00 174.74 174.21 1xa3 h ARG 283 N 9.16 0.29 -0.74 1.40 2.43 -1.03 -2.52 114.38 123.37 1xa3 h ARG 283 Ca -0.27 -0.09 0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1xa3 h ARG 283 Cb 1.08 -0.03 -0.12 0.00 -0.42 0.00 0.00 29.97 30.49 1xa3 h ARG 283 CO 1.03 0.49 -0.31 -0.89 -1.51 0.00 0.00 179.97 178.78 1xa3 n ILE 284 N -4.75 -0.40 0.21 1.20 -0.00 -1.26 -2.52 119.36 111.84 1xa3 n ILE 284 Ca -0.05 1.74 0.11 0.00 -0.00 0.00 0.00 62.75 64.55 1xa3 n ILE 284 Cb 0.20 -2.28 -0.02 0.00 -0.00 0.00 0.00 39.64 37.55 1xa3 n ILE 284 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1xa3 n GLU 285 N -5.07 0.53 -2.83 0.38 0.28 -1.09 -4.82 120.64 108.02 1xa3 n GLU 285 Ca 0.07 0.03 -0.43 0.00 -0.16 0.00 0.00 57.16 56.67 1xa3 n GLU 285 Cb 0.28 -1.71 -0.04 0.00 1.43 0.00 0.00 31.44 31.40 1xa3 n GLU 285 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xa3 h PRO 287 N 8.71 0.00 -0.44 0.00 0.11 -1.87 -2.08 132.00 136.42 1xa3 h PRO 287 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 1xa3 h PRO 287 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1xa3 h PRO 287 CO 0.99 0.00 0.02 0.66 -0.21 0.00 0.00 178.00 179.46 1xa3 n TYR 288 N -3.09 1.59 -0.03 0.65 4.01 -1.26 -4.66 117.16 114.37 1xa3 n TYR 288 Ca -0.02 -0.85 -0.09 0.00 -0.16 0.00 0.00 57.90 56.79 1xa3 n TYR 288 Cb 0.23 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.80 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 2.87 -0.08 1.33 2.72 0.00 -1.65 -0.54 103.07 107.72 1xa3 h GLY 289 Ca 0.02 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.59 1xa3 h GLY 289 CO 0.39 -0.17 0.42 -2.55 0.00 0.00 0.00 176.54 174.62 1xa3 h PRO 290 N -0.20 0.78 -0.38 4.80 0.11 -1.85 -2.04 132.00 133.21 1xa3 h PRO 290 Ca 0.12 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 1xa3 h PRO 290 Cb 0.37 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1xa3 h PRO 290 CO -0.30 0.52 0.09 1.25 -0.21 0.00 0.00 178.00 179.34 1xa3 h LEU 291 N 0.80 0.59 -0.43 2.35 5.85 -1.78 -0.54 115.31 122.16 1xa3 h LEU 291 Ca 0.24 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1xa3 h LEU 291 Cb -0.02 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1xa3 h LEU 291 CO -0.06 0.67 0.14 0.58 -0.34 0.00 0.00 178.44 179.43 1xa3 h VAL 292 N 0.48 0.85 -0.64 1.05 2.07 -0.71 -0.41 116.25 118.94 1xa3 h VAL 292 Ca 0.12 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 1xa3 h VAL 292 Cb 0.31 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1xa3 h VAL 292 CO 0.00 0.05 0.06 -0.33 0.02 0.00 0.00 177.57 177.37 1xa3 h GLU 293 N 0.30 1.08 -0.11 1.57 4.39 -1.19 -0.09 114.58 120.53 1xa3 h GLU 293 Ca 0.20 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1xa3 h GLU 293 Cb 0.20 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1xa3 h GLU 293 CO -0.21 1.02 -0.04 1.49 -1.16 0.00 0.00 179.01 180.10 1xa3 h GLU 294 N 1.00 -0.03 -0.32 2.33 4.81 -0.51 -0.29 114.58 121.57 1xa3 h GLU 294 Ca 0.19 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.26 1xa3 h GLU 294 Cb 0.49 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1xa3 h GLU 294 CO 0.02 -0.02 -0.43 0.87 -0.73 0.00 0.00 179.01 178.72 1xa3 h LYS 295 N -0.03 0.81 -0.25 1.92 1.79 -0.88 -1.74 116.57 118.20 1xa3 h LYS 295 Ca 0.06 -0.45 -0.02 0.00 -2.18 0.00 0.00 60.65 58.06 1xa3 h LYS 295 Cb 0.11 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 1xa3 h LYS 295 CO -0.13 1.08 0.08 1.25 -1.08 0.00 0.00 179.45 180.66 1xa3 h LEU 296 N 0.65 0.36 -0.68 2.94 5.85 -0.94 -1.73 115.31 121.75 1xa3 h LEU 296 Ca 0.04 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1xa3 h LEU 296 Cb 1.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1xa3 h LEU 296 CO 0.10 0.46 0.42 0.44 -0.34 0.00 0.00 178.44 179.52 1xa3 h ASP 297 N 0.24 0.69 -0.51 1.25 3.32 -0.96 -0.61 116.42 119.83 1xa3 h ASP 297 Ca 0.08 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1xa3 h ASP 297 Cb 0.22 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1xa3 h ASP 297 CO -0.00 0.47 0.10 0.00 -1.72 0.00 0.00 179.24 178.09 1xa3 h ALA 298 N 1.30 0.68 -0.13 3.45 0.00 -1.13 -0.71 119.26 122.72 1xa3 h ALA 298 Ca 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xa3 h ALA 298 Cb 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xa3 h ALA 298 CO -0.12 0.39 -0.02 2.35 0.00 0.00 0.00 179.25 181.86 1xa3 h TRP 299 N 0.72 0.26 -0.48 0.00 7.01 -1.13 -3.01 115.95 119.33 1xa3 h TRP 299 Ca 0.16 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.12 1xa3 h TRP 299 Cb 0.37 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 1xa3 h TRP 299 CO 0.03 0.51 0.32 -0.07 -2.79 0.00 0.00 178.44 176.43 1xa3 h LEU 300 N -0.05 0.52 -0.63 0.65 3.38 -0.99 -2.76 115.31 115.42 1xa3 h LEU 300 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xa3 h LEU 300 Cb 0.41 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1xa3 h LEU 300 CO 0.01 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1xa3 n ALA 301 N -2.47 1.66 0.42 1.53 0.00 -0.28 -2.15 120.51 119.21 1xa3 n ALA 301 Ca 0.05 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.65 1xa3 n ALA 301 Cb 0.09 -1.37 0.14 0.00 0.00 0.00 0.00 19.45 18.31 1xa3 n ALA 301 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xa3 n THR 302 N -2.16 0.34 -4.42 0.00 -2.24 -1.04 -3.85 114.28 100.90 1xa3 n THR 302 Ca 0.02 -0.67 -0.25 0.00 -2.27 0.00 0.00 64.05 60.88 1xa3 n THR 302 Cb 0.22 1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.37 1.85 0.63 4.78 4.02 -0.91 -4.93 115.29 119.36 1xa3 s HIS 303 Ca 0.28 -0.40 -0.11 0.00 1.02 0.00 0.00 55.06 55.84 1xa3 s HIS 303 Cb 0.17 -1.04 -0.03 0.00 -1.02 0.00 0.00 32.58 30.66 1xa3 s HIS 303 CO 0.24 0.18 1.04 0.95 1.02 0.00 0.00 174.74 178.17 1xa3 s THR 304 N -1.03 4.56 0.22 1.30 -4.23 -1.26 -0.66 115.64 114.53 1xa3 s THR 304 Ca 0.07 0.83 -0.09 0.00 -1.18 0.00 0.00 61.69 61.33 1xa3 s THR 304 Cb -0.10 -3.81 0.17 0.00 1.34 0.00 0.00 72.50 70.10 1xa3 s THR 304 CO 0.04 -1.09 1.71 0.40 -0.54 0.00 0.00 174.62 175.14 1xa3 h ILE 305 N -0.37 0.65 -0.85 2.99 2.04 -1.91 -0.57 117.51 119.49 1xa3 h ILE 305 Ca -0.44 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.34 1xa3 h ILE 305 Cb 1.20 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1xa3 h ILE 305 CO 0.62 0.06 0.55 0.00 0.00 0.00 0.00 178.15 179.38 1xa3 h ALA 306 N 1.49 1.12 -0.57 1.87 0.00 -1.99 -0.44 119.26 120.74 1xa3 h ALA 306 Ca 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1xa3 h ALA 306 Cb 0.49 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xa3 h ALA 306 CO -0.40 0.41 0.14 0.93 0.00 0.00 0.00 179.25 180.33 1xa3 h GLU 307 N 1.08 0.92 -0.46 0.00 5.08 -1.59 -1.57 114.58 118.03 1xa3 h GLU 307 Ca 0.34 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1xa3 h GLU 307 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1xa3 h GLU 307 CO -0.11 0.85 0.11 0.28 -1.00 0.00 0.00 179.01 179.14 1xa3 h VAL 308 N 0.82 1.24 -0.59 3.13 2.07 -0.84 -1.83 116.25 120.24 1xa3 h VAL 308 Ca 0.18 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1xa3 h VAL 308 Cb 0.35 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1xa3 h VAL 308 CO 0.00 0.30 0.13 0.11 0.02 0.00 0.00 177.57 178.13 1xa3 h LYS 309 N 0.62 0.93 0.17 1.57 1.57 -0.94 0.22 116.57 120.71 1xa3 h LYS 309 Ca 0.15 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1xa3 h LYS 309 Cb 0.33 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1xa3 h LYS 309 CO 0.00 0.84 -0.08 1.49 -0.57 0.00 0.00 179.45 181.13 1xa3 h GLU 310 N 0.89 -0.22 -0.36 3.15 4.81 -1.08 0.18 114.58 121.95 1xa3 h GLU 310 Ca 0.19 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1xa3 h GLU 310 Cb 0.34 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1xa3 h GLU 310 CO 0.00 0.01 0.23 -0.09 -0.73 0.00 0.00 179.01 178.43 1xa3 h ARG 311 N -0.41 0.46 0.00 1.92 9.65 -1.16 -2.13 114.38 122.70 1xa3 h ARG 311 Ca -0.02 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 1xa3 h ARG 311 Cb 0.32 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1xa3 h ARG 311 CO 0.04 0.30 -0.32 0.74 2.80 0.00 0.00 179.97 183.53 1xa3 h PHE 312 N 0.47 0.00 -0.43 2.20 -1.00 -0.44 -0.95 116.94 116.79 1xa3 h PHE 312 Ca 0.13 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.85 1xa3 h PHE 312 Cb -0.04 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 1xa3 h PHE 312 CO -0.06 0.32 0.02 0.00 -1.61 0.00 0.00 178.31 176.98 1xa3 h ALA 313 N 1.68 0.57 -1.00 2.45 0.00 -0.35 -0.42 119.26 122.19 1xa3 h ALA 313 Ca -0.00 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.74 1xa3 h ALA 313 Cb 0.59 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1xa3 h ALA 313 CO 0.04 0.35 0.64 0.93 0.00 0.00 0.00 179.25 181.21 1xa3 h GLU 314 N 0.58 1.06 -0.02 0.00 5.08 -0.72 -2.53 114.58 118.03 1xa3 h GLU 314 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xa3 h GLU 314 Cb 0.46 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xa3 h GLU 314 CO 0.02 0.70 -0.06 1.28 -1.00 0.00 0.00 179.01 179.94 1xa3 n LEU 315 N -4.56 1.57 -3.82 1.33 4.77 -0.42 -4.95 117.00 110.92 1xa3 n LEU 315 Ca 0.17 -0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 55.37 1xa3 n LEU 315 Cb 0.26 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1xa3 n LEU 315 CO 0.30 0.27 0.08 0.59 -1.33 0.00 0.00 177.39 177.30 1xa3 n ASN 316 N 0.13 -4.07 -4.63 -1.43 3.02 -0.31 -4.46 115.26 103.51 1xa3 n ASN 316 Ca 0.17 -0.76 -0.39 0.00 -0.03 0.00 0.00 54.58 53.57 1xa3 n ASN 316 Cb 0.38 -4.07 -0.09 0.00 -0.61 0.00 0.00 39.78 35.39 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 -3.39 5.19 0.22 2.41 1.01 -0.39 -4.96 121.20 121.29 1xa3 s ILE 317 Ca 0.49 0.59 -0.31 0.00 0.00 0.00 0.00 60.65 61.42 1xa3 s ILE 317 Cb -0.24 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 1xa3 s ILE 317 CO 0.81 0.20 1.65 0.00 0.00 0.00 0.00 174.94 177.60 1xa3 s ALA 318 N 1.76 3.85 0.24 9.38 0.00 -1.25 -4.61 121.76 131.13 1xa3 s ALA 318 Ca 0.16 1.53 -0.21 0.00 0.00 0.00 0.00 51.96 53.43 1xa3 s ALA 318 Cb -0.15 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 19.34 1xa3 s ALA 318 CO 0.09 -0.90 0.68 0.00 0.00 0.00 0.00 175.76 175.63 1xa3 s ALA 320 N -3.87 -1.61 0.37 0.00 0.00 -0.60 -5.00 121.76 111.05 1xa3 s ALA 320 Ca 0.08 1.40 -0.27 0.00 0.00 0.00 0.00 51.96 53.17 1xa3 s ALA 320 Cb -0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 1xa3 s ALA 320 CO 0.01 -0.34 1.25 0.21 0.00 0.00 0.00 175.76 176.90 1xa3 s LYS 321 N -0.66 4.18 -0.47 0.00 2.20 -1.26 -0.71 119.74 123.02 1xa3 s LYS 321 Ca -0.07 2.07 -0.29 0.00 -0.36 0.00 0.00 55.97 57.32 1xa3 s LYS 321 Cb -0.02 -2.88 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1xa3 s LYS 321 CO 0.06 -0.28 1.30 0.08 -0.36 0.00 0.00 175.35 176.15 1xa3 s VAL 322 N -1.25 4.00 0.18 4.02 1.01 -0.89 -4.83 120.40 122.64 1xa3 s VAL 322 Ca 0.53 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 63.21 1xa3 s VAL 322 Cb -0.36 -4.42 -0.08 0.00 0.00 0.00 0.00 36.38 31.52 1xa3 s VAL 322 CO 0.47 -0.95 0.92 -0.76 0.00 0.00 0.00 175.10 174.78 1xa3 s LEU 323 N 5.14 4.58 0.54 3.92 1.43 -1.26 -4.84 118.68 128.19 1xa3 s LEU 323 Ca 0.54 1.83 -0.07 0.00 -1.03 0.00 0.00 54.13 55.40 1xa3 s LEU 323 Cb -0.10 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1xa3 s LEU 323 CO 0.31 0.08 0.87 0.42 0.23 0.00 0.00 176.35 178.26 1xa3 s THR 324 N -0.71 4.65 0.30 5.49 -4.23 -1.26 -5.00 115.64 114.89 1xa3 s THR 324 Ca 0.42 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1xa3 s THR 324 Cb -0.24 -3.80 0.27 0.00 1.34 0.00 0.00 72.50 70.06 1xa3 s THR 324 CO 0.30 -0.87 1.94 0.58 -0.54 0.00 0.00 174.62 176.02 1xa3 h VAL 325 N 0.00 1.14 0.00 2.29 2.07 -2.04 -1.13 116.25 118.59 1xa3 h VAL 325 Ca -0.46 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1xa3 h VAL 325 Cb 1.21 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1xa3 h VAL 325 CO 0.62 0.20 0.00 -2.65 0.02 0.00 0.00 177.57 175.75 1xa3 n PRO 326 N -4.45 0.09 0.00 1.57 -0.02 -1.26 -2.77 135.00 128.16 1xa3 n PRO 326 Ca 0.12 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 1xa3 n PRO 326 Cb 0.12 -1.79 0.26 0.00 -0.02 0.00 0.00 33.50 32.06 1xa3 n PRO 326 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xa3 n GLU 327 N -1.99 0.91 0.04 -0.52 1.02 -0.43 -4.48 120.64 115.20 1xa3 n GLU 327 Ca -0.01 -0.61 -0.21 0.00 -0.02 0.00 0.00 57.16 56.31 1xa3 n GLU 327 Cb 0.03 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 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 1.50 0.46 -1.66 -4.62 3.38 -1.64 -3.27 115.31 109.46 1xa3 h LEU 328 Ca 0.00 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 57.04 1xa3 h LEU 328 Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xa3 h LEU 328 CO 0.00 1.49 0.02 -0.33 0.09 0.00 0.00 178.44 179.71 1xa3 h GLU 329 N -0.32 0.24 -0.02 1.13 5.08 -1.79 -1.98 114.58 116.91 1xa3 h GLU 329 Ca -0.20 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1xa3 h GLU 329 Cb 1.71 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1xa3 h GLU 329 CO 0.13 0.24 -0.12 -1.13 -1.00 0.00 0.00 179.01 177.12 1xa3 n SER 330 N -4.42 2.13 -4.73 1.42 3.41 -1.26 -4.53 113.62 105.64 1xa3 n SER 330 Ca -0.00 -1.62 -0.42 0.00 -0.26 0.00 0.00 58.87 56.57 1xa3 n SER 330 Cb 0.15 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.16 6.70 0.30 4.04 3.84 -0.74 -4.86 114.94 122.05 1xa3 s ASN 331 Ca 0.29 2.56 0.04 0.00 0.21 0.00 0.00 52.86 55.95 1xa3 s ASN 331 Cb 0.20 -2.61 0.65 0.00 -0.55 0.00 0.00 41.25 38.94 1xa3 s ASN 331 CO 0.39 -0.70 1.82 -0.65 -2.79 0.00 0.00 177.10 175.17 1xa3 h PRO 332 N 5.90 0.86 -0.28 0.43 0.11 -1.92 -0.33 132.00 136.77 1xa3 h PRO 332 Ca -0.44 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1xa3 h PRO 332 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1xa3 h PRO 332 CO 0.83 0.57 -0.04 0.37 -0.21 0.00 0.00 178.00 179.52 1xa3 h GLN 333 N 0.89 0.53 -0.63 1.05 5.75 -1.95 0.04 115.11 120.79 1xa3 h GLN 333 Ca 0.52 -0.19 0.04 0.00 -0.15 0.00 0.00 58.65 58.86 1xa3 h GLN 333 Cb 0.65 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.11 1xa3 h GLN 333 CO -0.29 0.72 0.36 1.88 -2.65 0.00 0.00 178.83 178.85 1xa3 h TYR 334 N 0.30 0.68 -0.08 3.99 0.05 -1.70 -1.95 116.97 118.25 1xa3 h TYR 334 Ca 0.07 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 1xa3 h TYR 334 Cb 0.51 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 1xa3 h TYR 334 CO 0.05 0.36 0.04 0.28 -1.05 0.00 0.00 178.16 177.83 1xa3 h VAL 335 N 0.70 1.11 -0.46 -2.88 2.07 -0.82 -1.14 116.25 114.83 1xa3 h VAL 335 Ca 0.26 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1xa3 h VAL 335 Cb 0.09 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1xa3 h VAL 335 CO -0.14 0.09 0.16 0.00 0.02 0.00 0.00 177.57 177.71 1xa3 h ALA 336 N 0.92 1.41 -0.02 1.67 0.00 -0.81 -2.41 119.26 120.01 1xa3 h ALA 336 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xa3 h ALA 336 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xa3 h ALA 336 CO -0.00 0.44 -0.01 0.54 0.00 0.00 0.00 179.25 180.22 1xa3 n ARG 337 N -4.34 1.99 -3.90 0.00 1.74 -0.75 -4.96 116.66 106.45 1xa3 n ARG 337 Ca 0.03 -1.46 -0.27 0.00 -0.77 0.00 0.00 57.85 55.39 1xa3 n ARG 337 Cb 0.17 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.77 -4.31 0.14 5.56 1.02 -0.50 -4.86 120.64 118.45 1xa3 n GLU 338 Ca 0.16 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 1xa3 n GLU 338 Cb 0.48 -5.03 0.28 0.00 -0.02 0.00 0.00 31.44 27.15 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 0.12 -3.44 1.62 0.02 -1.65 -3.40 113.55 104.95 1xa3 h SER 339 Ca -0.61 -0.05 -0.67 0.00 -0.84 0.00 0.00 61.79 59.63 1xa3 h SER 339 Cb 1.37 -0.03 -0.29 0.00 0.14 0.00 0.00 62.40 63.59 1xa3 h SER 339 CO 0.64 0.52 -0.81 -0.63 -1.14 0.00 0.00 176.83 175.41 1xa3 s ILE 340 N -4.13 2.68 0.05 3.27 1.01 -1.26 -1.47 121.20 121.35 1xa3 s ILE 340 Ca -0.03 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1xa3 s ILE 340 Cb 0.14 -2.08 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 1xa3 s ILE 340 CO 0.75 0.54 0.03 1.07 0.00 0.00 0.00 174.94 177.33 1xa3 n THR 341 N 3.37 0.00 -4.06 2.92 5.66 0.40 -4.83 114.28 117.75 1xa3 n THR 341 Ca -0.18 -0.31 -0.13 0.00 -3.05 0.00 0.00 64.05 60.38 1xa3 n THR 341 Cb 0.53 0.13 -0.12 0.00 -1.55 0.00 0.00 70.33 69.33 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 -2.18 0.49 0.28 1.09 -0.21 -1.26 -1.58 119.66 116.29 1xa3 s GLN 342 Ca 0.04 -0.69 -0.07 0.00 0.02 0.00 0.00 55.36 54.66 1xa3 s GLN 342 Cb 0.00 -0.24 -0.00 0.00 1.00 0.00 0.00 33.01 33.76 1xa3 s GLN 342 CO 0.03 0.04 0.44 1.67 -2.12 0.00 0.00 175.29 175.34 1xa3 s TRP 343 N -1.30 0.75 -0.13 0.91 -2.14 -0.33 -4.97 118.94 111.74 1xa3 s TRP 343 Ca -0.10 -1.05 -0.10 0.00 2.66 0.00 0.00 56.10 57.50 1xa3 s TRP 343 Cb -0.09 -0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.22 1xa3 s TRP 343 CO 0.00 -1.02 0.22 -0.65 -2.66 0.00 0.00 176.95 172.84 1xa3 s GLN 344 N -3.60 3.86 0.00 3.25 -1.52 -1.26 -0.86 119.66 119.53 1xa3 s GLN 344 Ca 0.28 -0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.68 1xa3 s GLN 344 Cb 0.00 -3.30 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 1xa3 s GLN 344 CO 0.14 0.54 0.00 0.25 -0.25 0.00 0.00 175.29 175.97 1xa3 n THR 345 N 2.65 0.00 0.00 -0.19 -2.24 -0.05 -3.98 114.28 110.47 1xa3 n THR 345 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1xa3 n THR 345 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.00 3.42 3.85 -1.26 -4.24 116.55 118.33 1xa3 n ASP 347 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1xa3 n ASP 347 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1xa3 n ASP 347 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xa3 n GLY 348 N 0.00 0.56 3.91 6.12 0.00 -1.26 -5.08 105.19 109.45 1xa3 n GLY 348 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.07 3.59 0.08 1.61 0.52 -1.26 -5.07 118.95 117.35 1xa3 s ARG 349 Ca 0.00 -0.09 -0.28 0.00 -0.52 0.00 0.00 55.73 54.83 1xa3 s ARG 349 Cb 0.00 -2.68 -0.06 0.00 0.52 0.00 0.00 34.95 32.74 1xa3 s ARG 349 CO 0.00 0.23 0.89 0.99 0.02 0.00 0.00 175.30 177.43 1xa3 s THR 350 N -2.08 4.60 -0.03 0.02 2.01 -1.26 -0.87 115.64 118.02 1xa3 s THR 350 Ca 0.42 1.90 0.05 0.00 0.31 0.00 0.00 61.69 64.37 1xa3 s THR 350 Cb -0.11 -4.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 1xa3 s THR 350 CO 0.31 0.33 -0.16 0.00 -0.69 0.00 0.00 174.62 174.41 1xa3 s LYS 352 N -0.15 2.28 0.00 0.00 2.20 -1.26 -1.18 119.74 121.62 1xa3 s LYS 352 Ca 0.01 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1xa3 s LYS 352 Cb -0.09 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 1xa3 s LYS 352 CO 0.01 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.95 1xa3 n GLY 353 N 1.09 -1.70 3.70 5.54 0.00 -0.61 -5.00 105.19 108.20 1xa3 n GLY 353 Ca -0.14 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.29 1.97 -0.85 1.61 -0.02 -1.26 -0.45 135.00 135.71 1xa3 n PRO 354 Ca 0.00 0.70 -0.30 0.00 -2.02 0.00 0.00 63.50 61.88 1xa3 n PRO 354 Cb 0.00 -2.35 0.26 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.46 0.31 1.30 2.55 3.84 -0.54 -4.69 114.94 117.24 1xa3 s ASN 355 Ca 0.59 0.72 -0.20 0.00 0.21 0.00 0.00 52.86 54.18 1xa3 s ASN 355 Cb -0.53 -1.01 0.32 0.00 -0.55 0.00 0.00 41.25 39.48 1xa3 s ASN 355 CO 0.59 -4.51 1.01 -0.63 -2.79 0.00 0.00 177.10 170.77 1xa3 s ILE 356 N -2.77 1.49 0.25 -5.21 -1.09 -1.26 -5.02 121.20 107.58 1xa3 s ILE 356 Ca 0.70 0.00 -0.04 0.00 -2.23 0.00 0.00 60.65 59.08 1xa3 s ILE 356 Cb -0.11 -2.22 0.06 0.00 -1.58 0.00 0.00 42.46 38.61 1xa3 s ILE 356 CO 0.57 0.00 0.14 -0.81 -1.23 0.00 0.00 174.94 173.61 1xa3 n PRO 358 N -5.20 -1.95 -3.43 2.79 -0.04 -1.26 -5.02 135.00 120.90 1xa3 n PRO 358 Ca 0.11 -0.23 -0.44 0.00 -0.04 0.00 0.00 63.50 62.90 1xa3 n PRO 358 Cb 0.59 -0.33 -0.09 0.00 -0.04 0.00 0.00 33.50 33.63 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 -2.99 2.97 -0.03 0.54 1.02 -1.26 -4.83 119.74 115.17 1xa3 s LYS 359 Ca 0.11 -1.16 -0.28 0.00 0.02 0.00 0.00 55.97 54.66 1xa3 s LYS 359 Cb -0.02 -4.04 -0.03 0.00 -0.52 0.00 0.00 37.83 33.22 1xa3 s LYS 359 CO 0.09 -0.86 0.90 -0.06 -0.92 0.00 0.00 175.35 174.50 1xa3 s PHE 360 N 1.66 3.62 -0.01 3.18 0.08 -1.26 -5.00 117.98 120.25 1xa3 s PHE 360 Ca 0.05 1.56 -0.23 0.00 0.12 0.00 0.00 56.93 58.42 1xa3 s PHE 360 Cb -0.21 -3.03 -0.15 0.00 -0.57 0.00 0.00 43.02 39.05 1xa3 s PHE 360 CO 0.09 -0.00 1.06 -0.22 -0.10 0.00 0.00 175.22 176.05 1xa3 h LYS 361 N 6.82 -0.42 0.16 0.44 1.63 -1.99 -3.10 116.57 120.10 1xa3 h LYS 361 Ca -0.40 0.03 -0.31 0.00 -0.85 0.00 0.00 60.65 59.12 1xa3 h LYS 361 Cb 1.21 0.10 0.03 0.00 -0.60 0.00 0.00 32.23 32.96 1xa3 h LYS 361 CO 0.76 -0.09 -1.32 -0.91 -3.45 0.00 0.00 179.45 174.44 1xa3 h ASN 362 N -0.88 0.81 -2.14 4.20 2.35 -2.04 -3.39 115.58 114.48 1xa3 h ASN 362 Ca -0.04 -0.79 -0.59 0.00 -0.55 0.00 0.00 56.30 54.33 1xa3 h ASN 362 Cb 0.52 -0.26 -0.41 0.00 0.05 0.00 0.00 38.32 38.23 1xa3 h ASN 362 CO 0.07 1.60 -0.79 0.59 -1.65 0.00 0.00 177.43 177.26 1xa3 n ASN 363 N -3.74 2.38 -4.75 5.81 4.13 -1.26 -5.01 115.26 112.83 1xa3 n ASN 363 Ca -0.14 -3.15 -0.37 0.00 1.68 0.00 0.00 54.58 52.60 1xa3 n ASN 363 Cb 1.03 -0.66 0.04 0.00 -1.54 0.00 0.00 39.78 38.65 1xa3 n ASN 363 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1xa3 s PRO 364 N -1.95 2.98 1.02 3.52 0.04 -1.17 -3.62 135.00 135.82 1xa3 s PRO 364 Ca 0.38 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 63.29 1xa3 s PRO 364 Cb 0.15 -2.04 0.20 0.00 0.04 0.00 0.00 34.50 32.85 1xa3 s PRO 364 CO -0.05 -1.25 1.11 0.20 0.04 0.00 0.00 177.00 177.05 1xa3 s GLY 365 N -1.33 1.57 0.16 0.56 0.00 -1.26 -3.43 107.32 103.58 1xa3 s GLY 365 Ca 0.76 -0.53 -0.18 0.00 0.00 0.00 0.00 44.72 44.77 1xa3 s GLY 365 CO 0.39 0.13 0.50 -0.86 0.00 0.00 0.00 173.10 173.26 1xa3 s GLN 366 N -5.12 1.23 -0.42 2.90 -2.07 -1.25 -4.94 119.66 109.99 1xa3 s GLN 366 Ca 0.66 -0.70 -0.18 0.00 -1.82 0.00 0.00 55.36 53.32 1xa3 s GLN 366 Cb -0.16 0.52 0.02 0.00 -1.09 0.00 0.00 33.01 32.30 1xa3 s GLN 366 CO 0.56 -0.51 0.51 0.42 -1.32 0.00 0.00 175.29 174.95 1xa3 s ILE 367 N -3.81 5.00 -0.17 3.63 1.01 -1.26 -4.90 121.20 120.70 1xa3 s ILE 367 Ca 0.05 -0.16 0.12 0.00 0.00 0.00 0.00 60.65 60.66 1xa3 s ILE 367 Cb 0.00 -4.09 -0.18 0.00 0.01 0.00 0.00 42.46 38.21 1xa3 s ILE 367 CO -0.09 -0.47 0.34 -2.67 0.00 0.00 0.00 174.94 172.05 1xa3 n TRP 368 N 5.82 0.00 -3.79 3.97 4.27 -1.26 -5.03 117.44 121.42 1xa3 n TRP 368 Ca -0.05 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.43 1xa3 n TRP 368 Cb 0.48 -0.20 -0.12 0.00 -1.36 0.00 0.00 31.31 30.10 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 -2.66 0.24 0.00 -2.67 3.52 -1.26 -5.01 118.95 111.11 1xa3 s ARG 369 Ca -0.02 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 1xa3 s ARG 369 Cb 0.08 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 1xa3 s ARG 369 CO 0.51 -0.04 0.05 0.41 -0.81 0.00 0.00 175.30 175.42 1xa3 n GLY 370 N 3.05 0.07 3.22 8.12 0.00 -1.26 -1.09 105.19 117.31 1xa3 n GLY 370 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.09 0.97 0.69 1.61 0.04 -1.26 -4.26 135.00 132.70 1xa3 s PRO 372 Ca 0.00 -1.35 -0.10 0.00 0.04 0.00 0.00 61.00 59.59 1xa3 s PRO 372 Cb 0.00 -0.56 0.02 0.00 0.04 0.00 0.00 34.50 34.00 1xa3 s PRO 372 CO 0.00 0.07 1.06 -1.54 0.04 0.00 0.00 177.00 176.63 1xa3 s SER 373 N -2.93 5.41 -0.01 6.66 1.04 -1.26 -4.97 113.70 117.63 1xa3 s SER 373 Ca 0.13 1.00 -0.30 0.00 0.48 0.00 0.00 55.95 57.26 1xa3 s SER 373 Cb 0.01 -1.82 -0.07 0.00 0.10 0.00 0.00 66.02 64.24 1xa3 s SER 373 CO -0.00 -1.32 1.88 -2.28 0.98 0.00 0.00 173.24 172.50 1xa3 s HIS 374 N -3.29 1.50 -0.16 5.02 2.46 -1.26 -4.71 115.29 114.84 1xa3 s HIS 374 Ca 0.57 -0.18 -0.09 0.00 0.47 0.00 0.00 55.06 55.84 1xa3 s HIS 374 Cb -0.11 -4.12 0.03 0.00 -0.13 0.00 0.00 32.58 28.25 1xa3 s HIS 374 CO 0.50 -4.90 0.17 0.41 -2.47 0.00 0.00 174.74 168.45 1xa3 n GLY 375 N 4.51 -4.72 0.00 1.59 0.00 -1.26 -4.86 105.19 100.45 1xa3 n GLY 375 Ca 0.20 1.23 0.00 0.00 0.00 0.00 0.00 46.02 47.45 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 1.24 0.00 0.05 1.61 8.00 -0.06 -4.37 116.55 123.02 1xa3 n ASP 377 Ca -0.29 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.10 1xa3 n ASP 377 Cb 0.45 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 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 0.51 -0.35 -3.53 2.02 -1.77 -1.21 112.91 108.57 1xa3 h THR 378 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1xa3 h THR 378 Cb 0.00 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1xa3 h THR 378 CO 0.00 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.04 1xa3 h ALA 379 N 0.56 0.42 -0.52 6.16 0.00 -1.88 -1.27 119.26 122.74 1xa3 h ALA 379 Ca 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xa3 h ALA 379 Cb 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1xa3 h ALA 379 CO -0.20 -0.24 0.21 0.00 0.00 0.00 0.00 179.25 179.02 1xa3 h ALA 380 N 1.21 0.68 -0.00 0.00 0.00 -1.92 -0.33 119.26 118.89 1xa3 h ALA 380 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xa3 h ALA 380 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xa3 h ALA 380 CO -0.14 0.29 0.00 0.82 0.00 0.00 0.00 179.25 180.23 1xa3 h ILE 381 N 0.70 1.15 -0.64 0.00 2.04 -0.96 -0.78 117.51 119.02 1xa3 h ILE 381 Ca 0.17 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1xa3 h ILE 381 Cb 0.20 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1xa3 h ILE 381 CO -0.01 0.11 0.37 -0.07 0.00 0.00 0.00 178.15 178.55 1xa3 h LEU 382 N -0.18 0.79 -0.74 1.44 3.38 -1.10 -2.41 115.31 116.48 1xa3 h LEU 382 Ca 0.00 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1xa3 h LEU 382 Cb 0.18 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1xa3 h LEU 382 CO -0.00 0.64 0.44 0.50 0.09 0.00 0.00 178.44 180.11 1xa3 h LYS 383 N 0.87 0.80 0.00 1.13 3.64 -1.02 -1.49 116.57 120.51 1xa3 h LYS 383 Ca 0.23 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1xa3 h LYS 383 Cb 0.01 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1xa3 h LYS 383 CO -0.04 0.53 -0.05 -0.97 -2.27 0.00 0.00 179.45 176.66 1xa3 h ASN 384 N 0.83 0.00 -0.49 4.20 -0.73 -0.65 -2.41 115.58 116.33 1xa3 h ASN 384 Ca 0.32 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.49 1xa3 h ASN 384 Cb 0.14 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.73 1xa3 h ASN 384 CO -0.16 0.05 0.00 2.30 -0.37 0.00 0.00 177.43 179.24 1xa3 n ILE 385 N -4.08 1.39 0.00 2.57 -5.35 -0.93 -4.96 119.36 108.00 1xa3 n ILE 385 Ca -0.03 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 1xa3 n ILE 385 Cb 0.13 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 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 0.76 1.23 3.79 3.28 0.00 -0.91 -4.99 105.19 108.35 1xa3 n GLY 386 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 3.81 0.59 1.61 2.02 -0.61 -5.00 117.35 117.77 1xa3 s TYR 387 Ca 0.00 1.52 -0.02 0.00 -0.37 0.00 0.00 57.07 58.20 1xa3 s TYR 387 Cb 0.00 -2.69 0.03 0.00 -0.40 0.00 0.00 41.96 38.90 1xa3 s TYR 387 CO 0.00 0.46 0.84 -1.54 -1.57 0.00 0.00 175.55 173.75 1xa3 s SER 388 N -1.31 5.24 0.22 2.29 1.04 -1.26 -4.08 113.70 115.85 1xa3 s SER 388 Ca 0.37 0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.96 1xa3 s SER 388 Cb -0.21 -1.10 0.36 0.00 0.10 0.00 0.00 66.02 65.17 1xa3 s SER 388 CO 0.24 -1.21 1.74 -0.08 0.98 0.00 0.00 173.24 174.90 1xa3 h GLU 389 N -0.10 0.41 -0.39 4.02 4.81 -1.99 -1.52 114.58 119.82 1xa3 h GLU 389 Ca -0.44 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1xa3 h GLU 389 Cb 1.29 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1xa3 h GLU 389 CO 0.56 0.27 0.11 -0.91 -0.73 0.00 0.00 179.01 178.31 1xa3 h ASN 390 N 0.42 0.58 -0.95 1.04 -0.26 -1.99 -1.41 115.58 113.00 1xa3 h ASN 390 Ca 0.35 -0.22 0.08 0.00 -0.56 0.00 0.00 56.30 55.95 1xa3 h ASN 390 Cb 0.48 -0.15 -0.07 0.00 -1.06 0.00 0.00 38.32 37.52 1xa3 h ASN 390 CO -0.35 0.64 0.60 0.44 -1.06 0.00 0.00 177.43 177.70 1xa3 h ASP 391 N 0.48 0.95 -0.35 5.81 3.32 -1.81 -0.88 116.42 123.94 1xa3 h ASP 391 Ca 0.12 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 1xa3 h ASP 391 Cb 0.28 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1xa3 h ASP 391 CO -0.00 0.58 -0.37 0.40 -1.72 0.00 0.00 179.24 178.13 1xa3 h ILE 392 N 1.07 1.28 -0.70 0.35 2.04 -1.13 -2.20 117.51 118.21 1xa3 h ILE 392 Ca 0.43 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 1xa3 h ILE 392 Cb 0.23 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1xa3 h ILE 392 CO -0.19 0.51 0.31 -0.61 0.00 0.00 0.00 178.15 178.17 1xa3 h GLN 393 N 0.67 1.01 -0.50 2.37 5.75 -0.78 -1.64 115.11 121.98 1xa3 h GLN 393 Ca 0.05 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 1xa3 h GLN 393 Cb 0.96 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 1xa3 h GLN 393 CO 0.09 0.80 0.11 0.93 -2.65 0.00 0.00 178.83 178.11 1xa3 h GLU 394 N 1.00 0.81 -0.37 1.69 5.08 -1.03 -0.51 114.58 121.25 1xa3 h GLU 394 Ca 0.24 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1xa3 h GLU 394 Cb 0.14 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1xa3 h GLU 394 CO -0.03 0.79 0.13 -0.07 -1.00 0.00 0.00 179.01 178.83 1xa3 h LEU 395 N 0.70 0.13 -0.20 1.33 3.38 -0.96 -1.50 115.31 118.19 1xa3 h LEU 395 Ca 0.16 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1xa3 h LEU 395 Cb 0.35 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1xa3 h LEU 395 CO 0.00 0.11 0.01 0.58 0.09 0.00 0.00 178.44 179.24 1xa3 h VAL 396 N 0.28 0.87 -0.42 1.22 2.07 -0.94 -1.31 116.25 118.03 1xa3 h VAL 396 Ca 0.17 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1xa3 h VAL 396 Cb 0.15 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1xa3 h VAL 396 CO -0.18 0.01 0.21 0.28 0.02 0.00 0.00 177.57 177.92 1xa3 h SER 397 N 0.08 0.52 0.20 0.57 0.02 -0.92 -1.32 113.55 112.70 1xa3 h SER 397 Ca 0.09 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1xa3 h SER 397 Cb 0.11 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1xa3 h SER 397 CO -0.15 0.43 0.00 0.29 -1.14 0.00 0.00 176.83 176.27 1xa3 n LYS 398 N -4.41 0.69 -1.21 3.45 5.02 -0.58 -4.89 118.16 116.23 1xa3 n LYS 398 Ca 0.03 0.01 -0.07 0.00 -2.02 0.00 0.00 58.31 56.26 1xa3 n LYS 398 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1xa3 n LYS 398 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xa3 n GLY 399 N 0.86 0.92 0.00 0.72 0.00 -0.50 -4.93 105.19 102.28 1xa3 n GLY 399 Ca 0.18 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.81 0.60 -3.84 0.99 4.77 -0.53 -4.85 117.00 113.34 1xa3 n LEU 400 Ca -0.07 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 1xa3 n LEU 400 Cb 0.24 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1xa3 n LEU 400 CO 0.11 0.15 -0.08 0.00 -1.33 0.00 0.00 177.39 176.24 1xa3 s ALA 401 N -3.13 -0.36 -0.01 -1.18 0.00 -1.19 -0.95 121.76 114.93 1xa3 s ALA 401 Ca 0.02 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.67 1xa3 s ALA 401 Cb 0.15 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1xa3 s ALA 401 CO 0.85 -0.42 -0.16 0.21 0.00 0.00 0.00 175.76 176.24 1xa3 s LYS 402 N -3.01 1.33 0.00 0.00 2.20 -0.57 -4.14 119.74 115.56 1xa3 s LYS 402 Ca -0.02 -0.59 0.11 0.00 -0.36 0.00 0.00 55.97 55.11 1xa3 s LYS 402 Cb 0.01 -1.29 0.09 0.00 -1.51 0.00 0.00 37.83 35.13 1xa3 s LYS 402 CO -0.06 0.35 0.86 1.33 -0.36 0.00 0.00 175.35 177.47