#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6r s LYS 2 N 0.00 4.13 0.01 2.12 1.02 -1.25 -4.95 119.74 120.83 1b6r s LYS 2 Ca 0.00 1.29 0.01 0.00 0.02 0.00 0.00 55.97 57.29 1b6r s LYS 2 Cb 0.00 -2.30 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1b6r s LYS 2 CO 0.00 -0.13 -0.04 -0.65 -0.92 0.00 0.00 175.35 173.61 1b6r s GLN 3 N -2.93 0.30 -0.01 1.68 -0.21 -1.26 -1.40 119.66 115.84 1b6r s GLN 3 Ca 0.61 -0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.61 1b6r s GLN 3 Cb -0.15 -0.13 0.00 0.00 1.00 0.00 0.00 33.01 33.73 1b6r s GLN 3 CO 0.19 0.02 0.02 0.08 -2.12 0.00 0.00 175.29 173.48 1b6r s VAL 4 N -0.72 0.00 -0.10 1.09 1.01 0.75 -1.20 120.40 121.24 1b6r s VAL 4 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 1b6r s VAL 4 Cb -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 1b6r s VAL 4 CO -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 175.10 175.02 1b6r s VAL 6 N -0.40 3.67 -0.29 0.00 1.01 -0.27 -0.86 120.40 123.25 1b6r s VAL 6 Ca 0.06 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 1b6r s VAL 6 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 1b6r s VAL 6 CO 0.02 -0.10 1.53 -0.22 0.00 0.00 0.00 175.10 176.33 1b6r s LEU 7 N 1.40 3.79 0.00 3.92 2.96 0.19 -0.32 118.68 130.61 1b6r s LEU 7 Ca -0.01 1.34 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 1b6r s LEU 7 Cb -0.19 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1b6r s LEU 7 CO 0.02 -1.30 0.00 0.61 -1.32 0.00 0.00 176.35 174.36 1b6r n GLY 8 N 4.75 3.98 1.98 7.98 0.00 0.95 -1.17 105.19 123.65 1b6r n GLY 8 Ca 0.18 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 1b6r n GLY 8 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1b6r n ASN 9 N 0.00 4.76 -1.55 1.61 4.05 -1.18 -3.78 115.26 119.17 1b6r n ASN 9 Ca 0.00 -3.73 0.00 0.00 0.45 0.00 0.00 54.58 51.30 1b6r n ASN 9 Cb 0.00 -0.78 0.00 0.00 1.23 0.00 0.00 39.78 40.23 1b6r n ASN 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b6r n GLY 10 N -1.03 1.94 0.29 8.20 0.00 -1.26 -4.89 105.19 108.44 1b6r n GLY 10 Ca 0.53 -2.11 0.14 0.00 0.00 0.00 0.00 46.02 44.58 1b6r n GLY 10 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1b6r h GLN 11 N 0.00 0.00 -0.27 1.61 -0.00 -1.95 0.26 115.11 114.77 1b6r h GLN 11 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.65 58.46 1b6r h GLN 11 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1b6r h GLN 11 CO 0.00 0.01 -0.57 -0.07 -0.00 0.00 0.00 178.83 178.21 1b6r h LEU 12 N 0.00 0.94 -0.70 0.06 3.38 -1.95 0.12 115.31 117.16 1b6r h LEU 12 Ca -0.00 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.35 1b6r h LEU 12 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1b6r h LEU 12 CO 0.00 1.31 -0.19 1.23 0.09 0.00 0.00 178.44 180.88 1b6r h GLY 13 N 0.72 0.86 0.89 0.83 0.00 -1.34 -1.00 103.07 104.03 1b6r h GLY 13 Ca 0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 1b6r h GLY 13 CO 0.12 0.65 -0.05 -0.09 0.00 0.00 0.00 176.54 177.18 1b6r h ARG 14 N 0.70 0.57 0.00 4.80 2.43 -0.82 -2.14 114.38 119.92 1b6r h ARG 14 Ca 0.10 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1b6r h ARG 14 Cb 0.70 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1b6r h ARG 14 CO 0.05 0.74 -0.33 0.52 -1.51 0.00 0.00 179.97 179.45 1b6r h MET 15 N 0.35 0.00 -0.24 0.20 2.86 -0.58 -0.52 114.93 117.00 1b6r h MET 15 Ca 0.08 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 1b6r h MET 15 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1b6r h MET 15 CO 0.03 0.33 -0.46 -0.07 1.06 0.00 0.00 176.91 177.79 1b6r h LEU 16 N 0.00 0.81 -0.86 1.22 3.38 -1.05 -2.35 115.31 116.46 1b6r h LEU 16 Ca -0.00 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 1b6r h LEU 16 Cb 0.61 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1b6r h LEU 16 CO 0.04 1.20 0.21 -0.09 0.09 0.00 0.00 178.44 179.90 1b6r h ARG 17 N 0.46 1.06 -0.44 1.13 2.43 -1.01 -0.05 114.38 117.96 1b6r h ARG 17 Ca 0.01 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 1b6r h ARG 17 Cb 1.06 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1b6r h ARG 17 CO 0.10 0.91 -0.03 1.96 -1.51 0.00 0.00 179.97 181.40 1b6r h GLN 18 N 1.02 0.73 0.00 0.20 4.20 -1.05 -2.62 115.11 117.58 1b6r h GLN 18 Ca 0.22 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.56 1b6r h GLN 18 Cb 0.29 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1b6r h GLN 18 CO -0.01 0.77 -0.80 0.00 -0.67 0.00 0.00 178.83 178.12 1b6r h ALA 19 N 1.28 0.56 -0.02 3.87 0.00 -1.02 -3.35 119.26 120.59 1b6r h ALA 19 Ca 0.13 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 1b6r h ALA 19 Cb 0.47 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1b6r h ALA 19 CO 0.02 1.00 0.00 0.78 0.00 0.00 0.00 179.25 181.06 1b6r h GLY 20 N 2.85 0.03 -0.77 0.00 0.00 -0.66 -3.37 103.07 101.15 1b6r h GLY 20 Ca -0.01 -0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.42 1b6r h GLY 20 CO 0.10 0.02 -0.41 -2.09 0.00 0.00 0.00 176.54 174.16 1b6r h GLU 21 N -0.25 -0.08 0.00 4.80 4.81 -1.36 -0.83 114.58 121.66 1b6r h GLU 21 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1b6r h GLU 21 Cb 0.29 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1b6r h GLU 21 CO 0.00 -0.05 0.00 -2.30 -0.73 0.00 0.00 179.01 175.93 1b6r n PRO 22 N -5.42 0.07 0.00 0.92 -0.02 -1.26 -1.35 135.00 127.95 1b6r n PRO 22 Ca 0.06 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 1b6r n PRO 22 Cb 0.36 -1.67 0.17 0.00 -0.02 0.00 0.00 33.50 32.34 1b6r n PRO 22 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1b6r n LEU 23 N -1.82 2.07 -0.28 2.45 4.32 -0.35 -4.95 117.00 118.45 1b6r n LEU 23 Ca 0.02 -0.71 -0.03 0.00 -0.02 0.00 0.00 56.01 55.27 1b6r n LEU 23 Cb 0.12 -0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 41.89 1b6r n LEU 23 CO 0.11 0.36 -0.03 0.61 -1.22 0.00 0.00 177.39 177.22 1b6r n GLY 24 N 1.35 0.48 3.28 -0.72 0.00 -0.45 -5.03 105.19 104.10 1b6r n GLY 24 Ca 0.13 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1b6r n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b6r s ILE 25 N -2.13 3.30 -0.13 -0.61 1.01 -1.03 -3.74 121.20 117.88 1b6r s ILE 25 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.75 1b6r s ILE 25 Cb 0.00 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1b6r s ILE 25 CO 0.00 0.31 0.65 0.00 0.00 0.00 0.00 174.94 175.90 1b6r s ALA 26 N 1.44 3.45 -0.12 9.38 0.00 -0.49 -2.94 121.76 132.48 1b6r s ALA 26 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1b6r s ALA 26 Cb -0.15 -2.93 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 1b6r s ALA 26 CO -0.03 -0.28 -0.21 0.08 0.00 0.00 0.00 175.76 175.32 1b6r s VAL 27 N 1.26 2.29 -0.50 0.00 1.01 -1.26 -0.18 120.40 123.03 1b6r s VAL 27 Ca 0.33 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1b6r s VAL 27 Cb -0.16 -1.91 0.13 0.00 0.00 0.00 0.00 36.38 34.44 1b6r s VAL 27 CO 0.14 0.55 0.25 0.26 0.00 0.00 0.00 175.10 176.29 1b6r s TRP 28 N 0.48 3.38 0.16 5.22 0.52 0.73 -4.82 118.94 124.61 1b6r s TRP 28 Ca -0.14 -2.99 -0.31 0.00 0.02 0.00 0.00 56.10 52.68 1b6r s TRP 28 Cb -0.17 -2.95 -0.09 0.00 -1.15 0.00 0.00 33.47 29.11 1b6r s TRP 28 CO 0.05 -0.82 1.46 -2.14 0.02 0.00 0.00 176.95 175.52 1b6r s PRO 29 N 0.10 4.28 0.01 4.98 0.02 -1.26 -1.12 135.00 142.01 1b6r s PRO 29 Ca 0.15 2.22 0.07 0.00 0.02 0.00 0.00 61.00 63.45 1b6r s PRO 29 Cb -0.23 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 1b6r s PRO 29 CO -0.03 -0.49 -0.20 0.54 -0.33 0.00 0.00 177.00 176.50 1b6r s VAL 30 N 0.88 1.60 0.63 3.83 0.11 0.56 -4.86 120.40 123.15 1b6r s VAL 30 Ca 0.65 -0.99 -0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1b6r s VAL 30 Cb -0.40 -1.36 0.04 0.00 -1.53 0.00 0.00 36.38 33.13 1b6r s VAL 30 CO 0.33 0.34 0.92 -0.83 -3.33 0.00 0.00 175.10 172.54 1b6r s GLY 31 N -0.76 1.67 0.17 6.54 0.00 -1.26 -0.03 107.32 113.64 1b6r s GLY 31 Ca 0.07 -0.90 -0.07 0.00 0.00 0.00 0.00 44.72 43.82 1b6r s GLY 31 CO 0.00 -0.57 1.47 1.41 0.00 0.00 0.00 173.10 175.42 1b6r h LEU 32 N -0.31 0.79 -0.52 0.66 3.38 -1.98 -3.26 115.31 114.07 1b6r h LEU 32 Ca -0.45 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.19 1b6r h LEU 32 Cb 1.29 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1b6r h LEU 32 CO 0.59 1.16 0.19 -2.24 0.09 0.00 0.00 178.44 178.23 1b6r h ASP 33 N 0.55 0.19 -1.35 -0.43 2.03 -2.01 -3.42 116.42 111.98 1b6r h ASP 33 Ca 0.02 0.06 -0.40 0.00 -0.73 0.00 0.00 57.03 55.98 1b6r h ASP 33 Cb 1.09 0.05 0.12 0.00 -0.83 0.00 0.00 39.33 39.76 1b6r h ASP 33 CO 0.11 0.13 -0.78 0.00 -1.03 0.00 0.00 179.24 177.67 1b6r n ALA 34 N -2.43 -2.57 -2.66 4.15 0.00 -1.23 -4.87 120.51 110.90 1b6r n ALA 34 Ca 0.06 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 1b6r n ALA 34 Cb 0.21 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1b6r n ALA 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1b6r s GLU 35 N -0.68 3.93 0.00 0.00 8.01 -1.26 -4.13 118.70 124.58 1b6r s GLU 35 Ca 0.38 0.21 0.00 0.00 0.01 0.00 0.00 54.97 55.57 1b6r s GLU 35 Cb -0.33 -3.28 0.00 0.00 -4.31 0.00 0.00 34.13 26.20 1b6r s GLU 35 CO 0.45 0.55 0.63 -2.30 0.01 0.00 0.00 175.26 174.60 1b6r n PRO 36 N 2.45 0.00 -0.01 0.39 -0.02 -1.26 -0.60 135.00 135.95 1b6r n PRO 36 Ca -0.14 0.18 -0.01 0.00 -2.02 0.00 0.00 63.50 61.51 1b6r n PRO 36 Cb 0.53 -1.55 -0.12 0.00 -0.02 0.00 0.00 33.50 32.34 1b6r n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b6r n ALA 37 N -1.13 1.97 0.16 3.55 0.00 -1.26 -4.20 120.51 119.61 1b6r n ALA 37 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.72 1b6r n ALA 37 Cb 0.05 -0.73 0.27 0.00 0.00 0.00 0.00 19.45 19.03 1b6r n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b6r h ALA 38 N 1.42 1.12 -3.55 0.00 0.00 -1.26 -3.45 119.26 113.54 1b6r h ALA 38 Ca -0.23 -0.45 -0.67 0.00 0.00 0.00 0.00 54.91 53.56 1b6r h ALA 38 Cb 1.65 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 19.20 1b6r h ALA 38 CO 0.03 0.62 -0.69 0.14 0.00 0.00 0.00 179.25 179.35 1b6r s VAL 39 N -3.81 3.77 0.00 0.00 -7.23 -1.25 -5.00 120.40 106.88 1b6r s VAL 39 Ca -0.02 -0.73 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1b6r s VAL 39 Cb 0.13 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 1b6r s VAL 39 CO 0.74 0.39 1.28 -2.65 -0.31 0.00 0.00 175.10 174.55 1b6r n PRO 40 N 1.53 0.64 -0.21 4.82 -0.02 -1.26 -4.45 135.00 136.05 1b6r n PRO 40 Ca -0.15 -0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 1b6r n PRO 40 Cb 0.53 -1.18 0.09 0.00 -0.02 0.00 0.00 33.50 32.92 1b6r n PRO 40 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1b6r h PHE 41 N 2.08 -0.14 -1.11 6.00 0.05 -1.92 -0.65 116.94 121.25 1b6r h PHE 41 Ca 0.00 0.05 0.30 0.00 3.82 0.00 0.00 57.97 62.14 1b6r h PHE 41 Cb 0.64 0.16 -0.08 0.00 2.00 0.00 0.00 35.95 38.67 1b6r h PHE 41 CO 0.33 -0.21 0.74 1.96 -0.18 0.00 0.00 178.31 180.95 1b6r h GLN 42 N 0.07 0.23 -0.27 1.51 4.20 -1.93 -2.48 115.11 116.43 1b6r h GLN 42 Ca 0.32 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.81 1b6r h GLN 42 Cb 0.52 -0.05 -0.20 0.00 0.30 0.00 0.00 27.48 28.06 1b6r h GLN 42 CO -0.58 0.15 -0.68 0.00 -0.67 0.00 0.00 178.83 177.05 1b6r n GLN 43 N -4.48 2.15 -4.23 1.46 -0.00 -0.26 -5.04 117.38 106.97 1b6r n GLN 43 Ca 0.26 -3.50 -0.14 0.00 -0.00 0.00 0.00 57.00 53.62 1b6r n GLN 43 Cb 1.04 -1.71 -0.10 0.00 -0.00 0.00 0.00 30.24 29.48 1b6r n GLN 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1b6r s SER 44 N -3.29 0.50 0.23 2.61 1.04 -0.94 -4.65 113.70 109.20 1b6r s SER 44 Ca 0.41 -1.44 -0.19 0.00 0.48 0.00 0.00 55.95 55.22 1b6r s SER 44 Cb 0.38 0.38 -0.08 0.00 0.10 0.00 0.00 66.02 66.80 1b6r s SER 44 CO -0.04 -0.85 0.72 -0.69 0.98 0.00 0.00 173.24 173.36 1b6r s VAL 45 N -4.01 4.58 -0.06 5.02 1.01 -0.34 -4.86 120.40 121.75 1b6r s VAL 45 Ca 0.39 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.65 1b6r s VAL 45 Cb 0.06 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1b6r s VAL 45 CO 0.14 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.59 1b6r s ILE 46 N -1.58 2.73 0.35 2.22 1.01 0.41 0.13 121.20 126.47 1b6r s ILE 46 Ca 0.44 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1b6r s ILE 46 Cb -0.16 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1b6r s ILE 46 CO 0.21 0.58 0.26 1.07 0.00 0.00 0.00 174.94 177.05 1b6r n THR 47 N 2.64 0.00 -3.78 2.92 5.66 -0.04 -1.43 114.28 120.25 1b6r n THR 47 Ca -0.17 -2.45 -0.13 0.00 -3.05 0.00 0.00 64.05 58.25 1b6r n THR 47 Cb 0.52 1.17 -0.11 0.00 -1.55 0.00 0.00 70.33 70.36 1b6r n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b6r s ALA 48 N -3.32 -0.67 -2.74 1.79 0.00 -1.26 0.54 121.76 116.10 1b6r s ALA 48 Ca 0.37 0.58 0.23 0.00 0.00 0.00 0.00 51.96 53.14 1b6r s ALA 48 Cb 0.02 -0.27 0.27 0.00 0.00 0.00 0.00 23.12 23.14 1b6r s ALA 48 CO 0.26 -0.17 1.30 -0.85 0.00 0.00 0.00 175.76 176.30 1b6r n GLU 49 N 2.39 2.34 -4.35 0.00 0.28 -0.32 -4.88 120.64 116.10 1b6r n GLU 49 Ca -0.16 -2.04 -0.26 0.00 -0.16 0.00 0.00 57.16 54.54 1b6r n GLU 49 Cb 0.57 -1.47 -0.13 0.00 1.43 0.00 0.00 31.44 31.85 1b6r n GLU 49 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1b6r s ILE 50 N -1.77 2.03 -0.09 3.84 -4.36 -1.25 -5.02 121.20 114.58 1b6r s ILE 50 Ca 0.31 -1.71 0.15 0.00 -0.26 0.00 0.00 60.65 59.14 1b6r s ILE 50 Cb 0.21 -1.83 -0.16 0.00 1.25 0.00 0.00 42.46 41.92 1b6r s ILE 50 CO 0.30 -0.02 0.79 -0.33 0.24 0.00 0.00 174.94 175.93 1b6r h GLU 51 N 3.84 0.00 -2.89 0.37 5.08 -1.95 -3.47 114.58 115.56 1b6r h GLU 51 Ca -0.48 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.76 1b6r h GLU 51 Cb 1.18 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.21 1b6r h GLU 51 CO 0.41 0.38 -0.26 -0.98 -1.00 0.00 0.00 179.01 177.56 1b6r s ARG 52 N -2.81 0.57 0.05 2.33 1.70 -1.26 -4.42 118.95 115.11 1b6r s ARG 52 Ca -0.03 0.19 -0.01 0.00 -0.47 0.00 0.00 55.73 55.40 1b6r s ARG 52 Cb 0.08 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.69 1b6r s ARG 52 CO 0.81 -0.12 -0.02 1.67 -1.08 0.00 0.00 175.30 176.56 1b6r s TRP 53 N -0.55 0.47 0.88 5.89 -2.14 -1.26 -5.16 118.94 117.07 1b6r s TRP 53 Ca -0.07 -0.99 -0.13 0.00 2.66 0.00 0.00 56.10 57.58 1b6r s TRP 53 Cb -0.04 -0.35 0.12 0.00 -3.10 0.00 0.00 33.47 30.10 1b6r s TRP 53 CO 0.03 -0.37 1.17 -1.25 -2.66 0.00 0.00 176.95 173.87 1b6r s PRO 54 N -3.65 1.38 -0.07 3.25 0.04 -1.26 -5.01 135.00 129.67 1b6r s PRO 54 Ca 0.04 0.13 -0.24 0.00 0.04 0.00 0.00 61.00 60.97 1b6r s PRO 54 Cb 0.06 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1b6r s PRO 54 CO -0.09 -2.00 0.75 -2.00 0.04 0.00 0.00 177.00 173.69 1b6r s GLU 55 N -5.48 4.43 0.31 4.56 2.12 -1.26 -4.84 118.70 118.55 1b6r s GLU 55 Ca 0.64 0.96 -0.05 0.00 0.36 0.00 0.00 54.97 56.88 1b6r s GLU 55 Cb -0.12 -3.46 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 1b6r s GLU 55 CO 0.51 0.01 0.45 0.95 -0.54 0.00 0.00 175.26 176.64 1b6r s THR 56 N 0.98 0.00 0.21 -1.70 -4.23 -1.26 -5.01 115.64 104.63 1b6r s THR 56 Ca 0.39 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1b6r s THR 56 Cb -0.18 -2.54 0.18 0.00 1.34 0.00 0.00 72.50 71.29 1b6r s THR 56 CO 0.19 0.00 1.68 0.00 -0.54 0.00 0.00 174.62 175.94 1b6r h ALA 57 N 2.18 0.61 -3.00 3.99 0.00 -1.86 0.22 119.26 121.40 1b6r h ALA 57 Ca -0.28 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1b6r h ALA 57 Cb 1.24 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1b6r h ALA 57 CO 0.39 -0.37 0.00 -0.11 0.00 0.00 0.00 179.25 179.16 1b6r n LEU 58 N -5.24 0.35 0.16 0.00 7.94 -1.26 -3.16 117.00 115.79 1b6r n LEU 58 Ca 0.08 0.43 0.11 0.00 -1.11 0.00 0.00 56.01 55.52 1b6r n LEU 58 Cb 0.34 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.52 1b6r n LEU 58 CO 0.13 0.00 1.10 0.71 -1.11 0.00 0.00 177.39 178.22 1b6r h THR 59 N 0.00 0.02 0.34 1.96 1.35 -1.85 0.42 112.91 115.15 1b6r h THR 59 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 1b6r h THR 59 Cb 0.00 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 1b6r h THR 59 CO 0.00 0.00 -0.16 -0.09 -0.25 0.00 0.00 175.52 175.02 1b6r h ARG 60 N 0.00 -0.44 -0.19 4.72 2.43 -0.97 -2.76 114.38 117.17 1b6r h ARG 60 Ca 0.15 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1b6r h ARG 60 Cb 2.12 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.76 1b6r h ARG 60 CO -0.00 -0.12 0.06 0.37 -1.51 0.00 0.00 179.97 178.77 1b6r h GLN 61 N -0.91 0.26 -0.28 0.20 5.75 -0.13 -2.74 115.11 117.24 1b6r h GLN 61 Ca -0.05 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 1b6r h GLN 61 Cb 0.53 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1b6r h GLN 61 CO 0.08 0.23 -0.11 -0.07 -2.65 0.00 0.00 178.83 176.31 1b6r h LEU 62 N 0.26 0.45 0.00 -2.39 4.07 -1.34 -0.97 115.31 115.39 1b6r h LEU 62 Ca 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1b6r h LEU 62 Cb 0.08 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1b6r h LEU 62 CO -0.01 0.60 0.00 0.00 -1.08 0.00 0.00 178.44 177.95 1b6r n ALA 63 N -2.48 1.76 0.02 1.53 0.00 -1.03 -1.29 120.51 119.02 1b6r n ALA 63 Ca 0.01 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1b6r n ALA 63 Cb 0.30 -1.23 -0.16 0.00 0.00 0.00 0.00 19.45 18.36 1b6r n ALA 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1b6r n ARG 64 N -1.35 0.62 -1.68 0.00 1.74 -0.41 -4.98 116.66 110.61 1b6r n ARG 64 Ca 0.06 -0.19 -0.44 0.00 -0.77 0.00 0.00 57.85 56.51 1b6r n ARG 64 Cb 0.13 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1b6r n ARG 64 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1b6r n HIS 65 N -2.21 2.27 0.81 -1.55 -0.00 -0.41 -4.86 115.22 109.28 1b6r n HIS 65 Ca -0.04 0.39 0.12 0.00 0.46 0.00 0.00 57.72 58.65 1b6r n HIS 65 Cb 0.54 -2.49 0.52 0.00 -0.12 0.00 0.00 29.99 28.44 1b6r n HIS 65 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1b6r n PRO 66 N 2.23 0.04 -2.61 1.57 -0.04 -1.26 -3.86 135.00 131.07 1b6r n PRO 66 Ca 0.12 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.58 1b6r n PRO 66 Cb 0.32 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 1b6r n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b6r n ALA 67 N -1.55 3.55 -3.20 0.55 0.00 -1.26 -4.97 120.51 113.63 1b6r n ALA 67 Ca 0.06 -3.24 -0.45 0.00 0.00 0.00 0.00 53.44 49.81 1b6r n ALA 67 Cb 0.31 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1b6r n ALA 67 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1b6r s PHE 68 N -3.50 3.16 0.03 0.00 2.19 -1.25 -0.44 117.98 118.17 1b6r s PHE 68 Ca 0.33 -1.18 -0.30 0.00 0.33 0.00 0.00 56.93 56.10 1b6r s PHE 68 Cb 0.39 -3.93 -0.07 0.00 -1.31 0.00 0.00 43.02 38.10 1b6r s PHE 68 CO -0.02 -1.18 1.63 0.08 1.83 0.00 0.00 175.22 177.56 1b6r s VAL 69 N 2.08 3.25 -1.40 3.12 1.01 -0.51 -2.75 120.40 125.19 1b6r s VAL 69 Ca 0.10 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1b6r s VAL 69 Cb -0.24 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1b6r s VAL 69 CO 0.03 -0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.71 1b6r n ASN 70 N 5.95 -4.57 -0.31 3.32 3.02 -1.26 -4.84 115.26 116.58 1b6r n ASN 70 Ca 0.16 0.27 0.05 0.00 -0.03 0.00 0.00 54.58 55.02 1b6r n ASN 70 Cb 0.41 -3.37 0.11 0.00 -0.61 0.00 0.00 39.78 36.33 1b6r n ASN 70 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1b6r n ARG 71 N -2.54 -0.08 0.18 3.52 0.63 -1.11 -0.51 116.66 116.74 1b6r n ARG 71 Ca -0.14 1.32 0.13 0.00 -0.92 0.00 0.00 57.85 58.25 1b6r n ARG 71 Cb 0.49 -1.98 0.41 0.00 0.45 0.00 0.00 32.46 31.83 1b6r n ARG 71 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1b6r h ASP 72 N 0.00 0.00 -0.20 6.15 3.32 -1.91 -3.31 116.42 120.47 1b6r h ASP 72 Ca 0.40 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.30 1b6r h ASP 72 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1b6r h ASP 72 CO -0.87 0.00 -0.46 0.58 -1.72 0.00 0.00 179.24 176.77 1b6r h VAL 73 N 0.00 1.32 -0.98 -1.35 2.07 -1.16 -3.36 116.25 112.79 1b6r h VAL 73 Ca 0.00 -1.69 0.13 0.00 0.82 0.00 0.00 66.70 65.96 1b6r h VAL 73 Cb 0.69 1.86 -0.15 0.00 -1.52 0.00 0.00 31.29 32.18 1b6r h VAL 73 CO 0.00 0.53 -0.45 -0.26 0.02 0.00 0.00 177.57 177.41 1b6r h PHE 74 N 0.37 -1.34 -0.93 1.57 0.04 -1.64 -0.03 116.94 114.97 1b6r h PHE 74 Ca -0.00 0.11 0.08 0.00 2.80 0.00 0.00 57.97 60.96 1b6r h PHE 74 Cb 1.07 0.72 -0.06 0.00 2.20 0.00 0.00 35.95 39.88 1b6r h PHE 74 CO 0.09 -0.40 0.60 -1.35 -0.60 0.00 0.00 178.31 176.66 1b6r h PRO 75 N -0.01 0.99 -0.57 1.51 0.11 -1.77 1.94 132.00 134.20 1b6r h PRO 75 Ca 0.28 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 1b6r h PRO 75 Cb 0.54 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 1b6r h PRO 75 CO -0.96 0.66 0.19 0.82 -0.21 0.00 0.00 178.00 178.49 1b6r h ILE 76 N 1.02 1.22 0.06 4.15 2.04 -1.18 -1.99 117.51 122.82 1b6r h ILE 76 Ca 0.42 -0.72 -0.29 0.00 1.00 0.00 0.00 64.86 65.27 1b6r h ILE 76 Cb 0.27 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 1b6r h ILE 76 CO -0.17 0.28 -1.52 0.40 0.00 0.00 0.00 178.15 177.14 1b6r h ILE 77 N 0.82 1.13 -0.92 -0.67 1.08 -0.70 -2.48 117.51 115.77 1b6r h ILE 77 Ca 0.19 -2.86 0.09 0.00 -0.39 0.00 0.00 64.86 61.90 1b6r h ILE 77 Cb 0.22 2.65 -0.07 0.00 -3.07 0.00 0.00 36.82 36.55 1b6r h ILE 77 CO -0.01 0.75 0.59 0.00 -0.69 0.00 0.00 178.15 178.79 1b6r h ALA 78 N 0.72 1.58 -2.61 1.87 0.00 0.36 -3.39 119.26 117.78 1b6r h ALA 78 Ca -0.22 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.05 1b6r h ALA 78 Cb 1.97 -0.23 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 1b6r h ALA 78 CO 0.12 0.24 -0.14 0.34 0.00 0.00 0.00 179.25 179.82 1b6r s ASP 79 N -5.91 6.31 0.33 0.00 -1.08 -0.80 -4.62 116.67 110.90 1b6r s ASP 79 Ca -0.11 0.24 0.07 0.00 -0.52 0.00 0.00 52.55 52.22 1b6r s ASP 79 Cb 0.21 -2.24 0.74 0.00 -1.46 0.00 0.00 42.92 40.16 1b6r s ASP 79 CO 0.80 -0.29 1.86 0.03 0.52 0.00 0.00 175.17 178.09 1b6r h ARG 80 N 8.22 0.76 0.60 4.34 2.47 -1.60 0.84 114.38 130.02 1b6r h ARG 80 Ca -0.30 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.35 1b6r h ARG 80 Cb 1.15 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1b6r h ARG 80 CO 0.70 0.50 -0.47 1.25 0.56 0.00 0.00 179.97 182.51 1b6r h LEU 81 N 0.78 -1.24 -1.48 3.04 5.85 -1.91 0.13 115.31 120.49 1b6r h LEU 81 Ca 0.46 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.24 1b6r h LEU 81 Cb 0.64 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1b6r h LEU 81 CO -0.22 -0.66 0.07 0.71 -0.34 0.00 0.00 178.44 178.00 1b6r h THR 82 N -1.03 1.14 0.31 1.05 1.35 -1.66 0.62 112.91 114.69 1b6r h THR 82 Ca -0.08 -0.48 -0.02 0.00 -0.55 0.00 0.00 66.41 65.28 1b6r h THR 82 Cb 0.86 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1b6r h THR 82 CO 0.02 0.17 -0.15 -0.61 -0.25 0.00 0.00 175.52 174.70 1b6r h GLN 83 N 0.41 -0.40 -0.88 4.72 4.15 -0.35 -1.42 115.11 121.34 1b6r h GLN 83 Ca 0.10 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.64 1b6r h GLN 83 Cb 0.16 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 27.86 1b6r h GLN 83 CO -0.00 -0.11 0.53 0.87 -1.93 0.00 0.00 178.83 178.18 1b6r h LYS 84 N -0.67 0.85 0.00 1.69 1.79 -0.31 0.23 116.57 120.16 1b6r h LYS 84 Ca -0.04 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 1b6r h LYS 84 Cb 0.47 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1b6r h LYS 84 CO 0.07 0.56 -0.17 1.96 -1.08 0.00 0.00 179.45 180.80 1b6r h GLN 85 N 0.88 0.00 -0.26 3.15 4.20 -0.77 -2.24 115.11 120.07 1b6r h GLN 85 Ca 0.42 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.98 1b6r h GLN 85 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1b6r h GLN 85 CO -0.24 0.17 -0.44 1.25 -0.67 0.00 0.00 178.83 178.90 1b6r h LEU 86 N 0.00 0.69 -0.60 1.46 5.85 0.18 0.52 115.31 123.41 1b6r h LEU 86 Ca -0.00 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 1b6r h LEU 86 Cb 0.32 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1b6r h LEU 86 CO 0.02 1.03 0.08 -0.26 -0.34 0.00 0.00 178.44 178.97 1b6r h PHE 87 N 0.52 1.07 -0.30 1.25 0.04 -1.18 -2.20 116.94 116.14 1b6r h PHE 87 Ca 0.04 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1b6r h PHE 87 Cb 0.97 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 1b6r h PHE 87 CO 0.04 0.93 0.19 -0.44 -0.60 0.00 0.00 178.31 178.43 1b6r h ASP 88 N 0.90 0.36 -0.73 2.17 5.19 -0.99 -0.40 116.42 122.93 1b6r h ASP 88 Ca 0.18 -0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.60 1b6r h ASP 88 Cb 0.45 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.82 1b6r h ASP 88 CO 0.01 0.30 0.48 0.50 -3.12 0.00 0.00 179.24 177.41 1b6r h LYS 89 N 0.39 0.78 -0.01 3.56 3.64 -0.71 -1.22 116.57 123.00 1b6r h LYS 89 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1b6r h LYS 89 Cb -0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1b6r h LYS 89 CO -0.02 0.51 -0.03 1.28 -2.27 0.00 0.00 179.45 178.92 1b6r n LEU 90 N -4.47 1.44 -2.91 5.20 4.32 -0.84 -4.93 117.00 114.79 1b6r n LEU 90 Ca 0.10 -0.47 -0.18 0.00 -0.02 0.00 0.00 56.01 55.44 1b6r n LEU 90 Cb 0.19 -0.01 0.06 0.00 -1.62 0.00 0.00 43.42 42.04 1b6r n LEU 90 CO 0.34 0.24 0.19 1.41 -1.22 0.00 0.00 177.39 178.35 1b6r n HIS 91 N 0.08 -2.21 -3.81 -1.77 8.25 -0.30 -5.00 115.22 110.45 1b6r n HIS 91 Ca 0.18 0.79 -0.35 0.00 -0.26 0.00 0.00 57.72 58.08 1b6r n HIS 91 Cb 0.35 -4.18 -0.05 0.00 1.12 0.00 0.00 29.99 27.23 1b6r n HIS 91 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1b6r s LEU 92 N -5.88 4.39 0.27 2.41 1.43 -0.38 -5.04 118.68 115.88 1b6r s LEU 92 Ca 0.42 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.74 1b6r s LEU 92 Cb -0.19 -2.45 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 1b6r s LEU 92 CO 0.57 0.31 1.44 -2.84 0.23 0.00 0.00 176.35 176.07 1b6r s PRO 93 N -1.50 4.25 0.24 1.29 0.02 -1.26 -4.65 135.00 133.40 1b6r s PRO 93 Ca 0.23 2.33 -0.20 0.00 0.02 0.00 0.00 61.00 63.38 1b6r s PRO 93 Cb -0.13 -3.09 0.03 0.00 0.02 0.00 0.00 34.50 31.33 1b6r s PRO 93 CO 0.12 -0.42 0.65 -0.08 -0.33 0.00 0.00 177.00 176.94 1b6r s THR 94 N -0.17 0.00 0.16 0.99 -1.32 -1.26 -0.57 115.64 113.47 1b6r s THR 94 Ca 0.58 -0.85 -0.30 0.00 -1.21 0.00 0.00 61.69 59.91 1b6r s THR 94 Cb -0.42 -1.80 -0.08 0.00 -1.51 0.00 0.00 72.50 68.69 1b6r s THR 94 CO 0.46 -0.02 1.24 0.00 -2.21 0.00 0.00 174.62 174.09 1b6r s ALA 95 N -3.90 3.46 0.16 11.08 0.00 -1.26 -4.91 121.76 126.40 1b6r s ALA 95 Ca 0.10 0.98 -0.34 0.00 0.00 0.00 0.00 51.96 52.71 1b6r s ALA 95 Cb -0.04 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 1b6r s ALA 95 CO 0.03 -0.44 1.32 -2.30 0.00 0.00 0.00 175.76 174.36 1b6r n PRO 96 N 2.97 1.48 -3.17 0.00 -0.02 -1.26 -4.64 135.00 130.35 1b6r n PRO 96 Ca 0.06 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1b6r n PRO 96 Cb 0.44 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1b6r n PRO 96 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1b6r n TRP 97 N 2.13 -1.44 -3.62 6.00 4.27 -1.26 0.14 117.44 123.67 1b6r n TRP 97 Ca 0.15 -1.55 -0.05 0.00 -3.89 0.00 0.00 57.50 52.16 1b6r n TRP 97 Cb 0.25 0.48 -0.04 0.00 -1.36 0.00 0.00 31.31 30.64 1b6r n TRP 97 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 1b6r s GLN 98 N -2.40 0.26 0.54 -2.67 -2.07 -0.61 -5.00 119.66 107.70 1b6r s GLN 98 Ca 0.17 0.06 -0.19 0.00 -1.82 0.00 0.00 55.36 53.59 1b6r s GLN 98 Cb -0.02 0.12 -0.06 0.00 -1.09 0.00 0.00 33.01 31.96 1b6r s GLN 98 CO 0.13 -0.08 1.06 -1.17 -1.32 0.00 0.00 175.29 173.91 1b6r s LEU 99 N -1.08 3.71 -0.45 2.60 2.96 -1.26 -0.75 118.68 124.41 1b6r s LEU 99 Ca 0.05 1.95 -0.25 0.00 -0.22 0.00 0.00 54.13 55.66 1b6r s LEU 99 Cb -0.01 -4.56 0.02 0.00 0.50 0.00 0.00 46.19 42.15 1b6r s LEU 99 CO -0.04 -1.02 0.89 -0.22 -1.32 0.00 0.00 176.35 174.64 1b6r s LEU 100 N -3.90 4.07 -0.20 -0.68 2.96 1.00 -4.80 118.68 117.12 1b6r s LEU 100 Ca 0.67 0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 54.56 1b6r s LEU 100 Cb -0.18 -3.14 -0.08 0.00 0.50 0.00 0.00 46.19 43.29 1b6r s LEU 100 CO 0.27 -0.99 -0.32 0.00 -1.32 0.00 0.00 176.35 174.00 1b6r n ALA 101 N 6.99 1.26 -3.13 5.97 0.00 -1.26 0.41 120.51 130.74 1b6r n ALA 101 Ca 0.05 -0.87 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 1b6r n ALA 101 Cb 0.48 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 1b6r n ALA 101 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1b6r s GLU 102 N -2.62 1.00 0.62 0.00 -1.05 -1.26 -4.47 118.70 110.91 1b6r s GLU 102 Ca -0.31 -0.46 0.31 0.00 -0.15 0.00 0.00 54.97 54.36 1b6r s GLU 102 Cb 0.09 0.44 1.74 0.00 -0.44 0.00 0.00 34.13 35.96 1b6r s GLU 102 CO 0.41 -0.36 2.07 0.00 0.95 0.00 0.00 175.26 178.33 1b6r h ARG 103 N 2.74 0.00 -0.65 -4.83 3.08 -2.02 -1.52 114.38 111.18 1b6r h ARG 103 Ca -0.32 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.74 1b6r h ARG 103 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 1b6r h ARG 103 CO 0.44 0.00 0.43 1.03 -1.07 0.00 0.00 179.97 180.80 1b6r h SER 104 N 0.00 0.72 -0.27 7.04 0.87 -2.06 -2.80 113.55 117.06 1b6r h SER 104 Ca 0.07 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1b6r h SER 104 Cb 0.55 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1b6r h SER 104 CO -0.00 0.51 0.09 -0.33 -0.53 0.00 0.00 176.83 176.57 1b6r h GLU 105 N 0.85 0.41 -0.12 2.24 5.08 -1.70 -3.34 114.58 117.99 1b6r h GLU 105 Ca 0.24 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1b6r h GLU 105 Cb -0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1b6r h GLU 105 CO -0.06 0.47 -0.03 0.91 -1.00 0.00 0.00 179.01 179.30 1b6r n TRP 106 N -4.74 0.04 -0.31 4.33 5.03 -1.06 0.49 117.44 121.22 1b6r n TRP 106 Ca -0.03 0.15 -0.04 0.00 3.03 0.00 0.00 57.50 60.62 1b6r n TRP 106 Cb 0.15 -0.57 0.08 0.00 -1.03 0.00 0.00 31.31 29.95 1b6r n TRP 106 CO 0.00 0.00 0.00 -1.00 -0.03 0.00 0.00 177.69 176.66 1b6r h PRO 107 N 0.00 1.12 0.00 -0.99 0.13 -1.77 -2.86 132.00 127.63 1b6r h PRO 107 Ca 0.05 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1b6r h PRO 107 Cb 0.09 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 30.96 1b6r h PRO 107 CO -0.12 0.74 -0.67 0.00 -0.23 0.00 0.00 178.00 177.72 1b6r n ALA 108 N -2.33 3.78 0.04 -0.56 0.00 0.18 -3.52 120.51 118.09 1b6r n ALA 108 Ca 0.09 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1b6r n ALA 108 Cb 0.01 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.50 1b6r n ALA 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b6r h VAL 109 N 0.00 1.35 0.00 0.00 2.07 -1.17 -2.72 116.25 115.78 1b6r h VAL 109 Ca 0.00 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1b6r h VAL 109 Cb 0.53 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1b6r h VAL 109 CO 0.00 0.59 0.00 -0.26 0.02 0.00 0.00 177.57 177.92 1b6r h PHE 110 N 0.33 0.00 0.08 1.57 0.04 -1.57 -2.29 116.94 115.10 1b6r h PHE 110 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1b6r h PHE 110 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1b6r h PHE 110 CO 0.04 0.00 -0.04 0.22 -0.60 0.00 0.00 178.31 177.93 1b6r h ASP 111 N 0.00 -0.10 0.84 2.17 3.58 -1.53 -1.76 116.42 119.63 1b6r h ASP 111 Ca 0.00 -0.50 -0.04 0.00 0.42 0.00 0.00 57.03 56.90 1b6r h ASP 111 Cb 0.79 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.86 1b6r h ASP 111 CO 0.00 0.53 -1.19 -2.11 -2.88 0.00 0.00 179.24 173.59 1b6r n ARG 112 N -4.84 0.61 0.00 0.28 0.00 -1.10 -4.17 116.66 107.45 1b6r n ARG 112 Ca -0.08 0.12 0.08 0.00 -0.00 0.00 0.00 57.85 57.97 1b6r n ARG 112 Cb 0.29 -1.80 -0.13 0.00 -0.00 0.00 0.00 32.46 30.82 1b6r n ARG 112 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1b6r n LEU 113 N -2.70 0.21 0.00 2.89 4.32 -0.86 -5.04 117.00 115.82 1b6r n LEU 113 Ca -0.03 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1b6r n LEU 113 Cb 0.63 0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.48 1b6r n LEU 113 CO 0.41 0.04 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 1b6r n GLY 114 N 1.31 -1.75 0.40 -0.72 0.00 -0.66 -4.15 105.19 99.63 1b6r n GLY 114 Ca -0.07 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1b6r n GLY 114 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1b6r h GLU 115 N 0.00 -0.37 -5.14 1.61 4.11 -1.96 -3.41 114.58 109.42 1b6r h GLU 115 Ca 0.00 0.03 -0.62 0.00 0.07 0.00 0.00 59.36 58.84 1b6r h GLU 115 Cb 0.00 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.18 1b6r h GLU 115 CO 0.00 -0.24 -0.52 -0.51 0.07 0.00 0.00 179.01 177.81 1b6r s LEU 116 N -9.76 4.04 -0.21 3.06 1.02 -1.26 -4.28 118.68 111.29 1b6r s LEU 116 Ca -0.13 0.10 -0.05 0.00 0.02 0.00 0.00 54.13 54.07 1b6r s LEU 116 Cb 0.07 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 44.19 1b6r s LEU 116 CO 0.54 0.09 0.01 0.00 0.02 0.00 0.00 176.35 177.01 1b6r s ALA 117 N 0.88 3.04 -0.42 4.21 0.00 -0.50 -3.42 121.76 125.55 1b6r s ALA 117 Ca 0.07 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1b6r s ALA 117 Cb -0.13 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.20 1b6r s ALA 117 CO 0.03 -0.20 0.43 0.42 0.00 0.00 0.00 175.76 176.43 1b6r s ILE 118 N 1.10 5.10 -0.07 0.00 1.01 -0.98 -1.59 121.20 125.75 1b6r s ILE 118 Ca 0.03 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1b6r s ILE 118 Cb -0.14 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1b6r s ILE 118 CO 0.02 -0.41 0.37 -0.69 0.00 0.00 0.00 174.94 174.22 1b6r s VAL 119 N 2.11 5.17 0.01 2.92 1.01 -0.22 -0.29 120.40 131.11 1b6r s VAL 119 Ca 0.12 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.78 1b6r s VAL 119 Cb -0.17 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 1b6r s VAL 119 CO 0.13 0.49 0.09 -0.54 0.00 0.00 0.00 175.10 175.27 1b6r s LYS 120 N -0.38 0.42 0.58 2.72 1.02 0.13 -0.73 119.74 123.50 1b6r s LYS 120 Ca 0.22 -0.43 -0.14 0.00 0.02 0.00 0.00 55.97 55.63 1b6r s LYS 120 Cb -0.15 0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 1b6r s LYS 120 CO 0.10 -0.09 1.02 1.03 -0.92 0.00 0.00 175.35 176.48 1b6r s ARG 121 N -1.33 3.61 -0.01 1.68 0.52 -1.22 0.12 118.95 122.32 1b6r s ARG 121 Ca -0.14 0.93 -0.21 0.00 -0.52 0.00 0.00 55.73 55.79 1b6r s ARG 121 Cb -0.08 -2.08 -0.25 0.00 0.52 0.00 0.00 34.95 33.05 1b6r s ARG 121 CO 0.01 -0.56 1.04 0.00 0.02 0.00 0.00 175.30 175.81 1b6r h ARG 122 N 0.25 0.36 0.00 3.54 3.08 -1.79 -3.44 114.38 116.36 1b6r h ARG 122 Ca -0.46 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.17 1b6r h ARG 122 Cb 1.20 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1b6r h ARG 122 CO 0.60 1.12 -1.39 0.25 -1.07 0.00 0.00 179.97 179.48 1b6r n THR 123 N -4.23 0.00 0.00 2.04 -2.24 -1.26 -1.98 114.28 106.61 1b6r n THR 123 Ca -0.11 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1b6r n THR 123 Cb 0.69 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1b6r n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b6r n GLY 130 N 1.43 -0.17 3.22 3.38 0.00 -1.26 -5.06 105.19 106.73 1b6r n GLY 130 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1b6r n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1b6r s GLN 131 N 0.00 0.96 0.09 1.61 -2.07 -1.26 -3.37 119.66 115.62 1b6r s GLN 131 Ca 0.00 -1.35 0.06 0.00 -1.82 0.00 0.00 55.36 52.25 1b6r s GLN 131 Cb 0.00 -0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 31.36 1b6r s GLN 131 CO 0.00 0.06 -0.15 -1.58 -1.32 0.00 0.00 175.29 172.30 1b6r s TRP 132 N -3.13 1.36 -0.39 9.60 0.51 0.09 -4.98 118.94 122.00 1b6r s TRP 132 Ca 0.13 -0.48 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1b6r s TRP 132 Cb 0.02 -0.74 0.11 0.00 -0.81 0.00 0.00 33.47 32.05 1b6r s TRP 132 CO -0.01 0.11 0.15 1.03 -0.51 0.00 0.00 176.95 177.72 1b6r s ARG 133 N -2.04 1.29 -0.08 4.98 0.52 -1.26 -1.06 118.95 121.30 1b6r s ARG 133 Ca 0.02 -1.81 -0.03 0.00 -0.52 0.00 0.00 55.73 53.40 1b6r s ARG 133 Cb -0.08 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 1b6r s ARG 133 CO 0.03 -1.04 0.04 -0.51 0.02 0.00 0.00 175.30 173.83 1b6r s LEU 134 N 0.75 3.78 0.31 2.53 1.02 -0.62 -4.95 118.68 121.50 1b6r s LEU 134 Ca 0.13 0.21 0.06 0.00 0.02 0.00 0.00 54.13 54.56 1b6r s LEU 134 Cb -0.21 -1.92 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 1b6r s LEU 134 CO -0.09 0.37 0.40 -0.60 0.02 0.00 0.00 176.35 176.45 1b6r s ARG 135 N -1.02 3.12 0.33 1.70 3.52 -1.26 -1.41 118.95 123.92 1b6r s ARG 135 Ca 0.15 -1.01 0.21 0.00 -0.13 0.00 0.00 55.73 54.95 1b6r s ARG 135 Cb -0.12 -2.77 1.18 0.00 -1.56 0.00 0.00 34.95 31.69 1b6r s ARG 135 CO 0.04 0.16 1.33 0.00 -0.81 0.00 0.00 175.30 176.02 1b6r n ALA 136 N -1.53 0.96 0.59 6.12 0.00 -1.26 -0.71 120.51 124.69 1b6r n ALA 136 Ca -0.03 0.82 0.11 0.00 0.00 0.00 0.00 53.44 54.35 1b6r n ALA 136 Cb 0.58 -0.87 0.07 0.00 0.00 0.00 0.00 19.45 19.23 1b6r n ALA 136 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1b6r n ASN 137 N -4.74 0.63 -0.26 0.00 6.94 -1.26 -3.68 115.26 112.90 1b6r n ASN 137 Ca 0.33 -0.12 0.10 0.00 -0.02 0.00 0.00 54.58 54.87 1b6r n ASN 137 Cb 1.17 0.59 0.47 0.00 -2.36 0.00 0.00 39.78 39.65 1b6r n ASN 137 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1b6r n GLU 138 N -1.99 1.34 -0.28 -3.83 1.02 0.12 -4.05 120.64 112.97 1b6r n GLU 138 Ca 0.02 -0.51 0.10 0.00 -0.02 0.00 0.00 57.16 56.76 1b6r n GLU 138 Cb 0.43 -1.34 0.25 0.00 -0.02 0.00 0.00 31.44 30.77 1b6r n GLU 138 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1b6r h THR 139 N 1.03 0.42 0.00 2.62 2.02 -1.63 0.23 112.91 117.61 1b6r h THR 139 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1b6r h THR 139 Cb 0.23 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1b6r h THR 139 CO 0.00 0.05 0.00 -0.33 0.37 0.00 0.00 175.52 175.61 1b6r h GLU 140 N 0.27 0.00 0.00 6.66 3.07 -1.89 -2.91 114.58 119.78 1b6r h GLU 140 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 1b6r h GLU 140 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1b6r h GLU 140 CO -0.58 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.07 1b6r n GLN 141 N -2.46 0.12 -3.40 2.33 6.02 0.82 -4.83 117.38 115.98 1b6r n GLN 141 Ca 0.01 0.07 -0.35 0.00 -0.01 0.00 0.00 57.00 56.72 1b6r n GLN 141 Cb 0.22 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 1b6r n GLN 141 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1b6r s LEU 142 N -2.86 4.33 0.54 1.08 2.96 -1.10 -5.05 118.68 118.59 1b6r s LEU 142 Ca 0.16 1.01 -0.22 0.00 -0.22 0.00 0.00 54.13 54.86 1b6r s LEU 142 Cb 0.16 -3.24 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 1b6r s LEU 142 CO 0.42 0.10 1.27 -2.65 -1.32 0.00 0.00 176.35 174.18 1b6r n PRO 143 N 0.76 1.55 -0.08 0.98 -0.02 -1.26 -4.88 135.00 132.05 1b6r n PRO 143 Ca -0.05 0.57 -0.08 0.00 -2.02 0.00 0.00 63.50 61.91 1b6r n PRO 143 Cb 0.52 -2.47 0.08 0.00 -0.02 0.00 0.00 33.50 31.61 1b6r n PRO 143 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b6r h ALA 144 N 1.31 0.83 -1.14 3.55 0.00 -1.96 -2.89 119.26 118.95 1b6r h ALA 144 Ca -0.50 -0.40 0.33 0.00 0.00 0.00 0.00 54.91 54.35 1b6r h ALA 144 Cb 1.32 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1b6r h ALA 144 CO 0.56 0.64 0.83 1.49 0.00 0.00 0.00 179.25 182.77 1b6r h GLU 145 N 0.65 0.00 -0.86 0.00 4.81 -2.05 -1.94 114.58 115.19 1b6r h GLU 145 Ca 0.08 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1b6r h GLU 145 Cb 0.80 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 1b6r h GLU 145 CO 0.07 0.00 0.56 0.00 -0.73 0.00 0.00 179.01 178.91 1b6r n TYR 147 N -4.46 0.77 -0.18 0.00 4.02 -0.73 -0.37 117.16 116.21 1b6r n TYR 147 Ca 0.12 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 58.09 1b6r n TYR 147 Cb 0.14 -1.95 0.00 0.00 -0.02 0.00 0.00 39.34 37.51 1b6r n TYR 147 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1b6r n GLY 148 N 6.22 1.03 0.00 2.72 0.00 1.38 -4.84 105.19 111.69 1b6r n GLY 148 Ca 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1b6r n GLY 148 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b6r n GLU 149 N -1.99 0.00 -4.15 1.61 0.00 0.50 -5.01 120.64 111.61 1b6r n GLU 149 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 1b6r n GLU 149 Cb 0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 31.44 30.96 1b6r n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1b6r s ILE 151 N -0.95 3.38 -0.03 0.00 1.01 0.33 -0.00 121.20 124.95 1b6r s ILE 151 Ca -0.04 -1.78 0.07 0.00 0.00 0.00 0.00 60.65 58.90 1b6r s ILE 151 Cb -0.08 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 1b6r s ILE 151 CO 0.01 -0.26 -0.25 -0.69 0.00 0.00 0.00 174.94 173.75 1b6r s VAL 152 N -2.05 1.98 0.04 2.92 1.01 0.07 0.20 120.40 124.58 1b6r s VAL 152 Ca 0.29 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1b6r s VAL 152 Cb -0.07 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1b6r s VAL 152 CO 0.18 0.56 -0.13 -1.61 0.00 0.00 0.00 175.10 174.10 1b6r s GLU 153 N -0.49 0.83 0.49 2.72 2.02 0.61 -1.57 118.70 123.30 1b6r s GLU 153 Ca 0.07 -0.77 -0.23 0.00 0.02 0.00 0.00 54.97 54.06 1b6r s GLU 153 Cb -0.10 -0.81 -0.06 0.00 0.10 0.00 0.00 34.13 33.26 1b6r s GLU 153 CO -0.00 0.19 1.30 -1.14 0.02 0.00 0.00 175.26 175.63 1b6r s GLN 154 N -1.27 3.48 -0.53 1.61 0.74 0.37 -2.33 119.66 121.73 1b6r s GLN 154 Ca -0.01 2.10 -0.27 0.00 0.05 0.00 0.00 55.36 57.24 1b6r s GLN 154 Cb -0.08 -2.40 0.03 0.00 1.10 0.00 0.00 33.01 31.66 1b6r s GLN 154 CO 0.01 -0.88 1.07 0.20 -0.55 0.00 0.00 175.29 175.15 1b6r s GLY 155 N -1.01 1.30 -0.14 2.59 0.00 -1.22 -4.82 107.32 104.02 1b6r s GLY 155 Ca 0.66 -0.83 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 1b6r s GLY 155 CO 0.45 2.29 0.42 -0.42 0.00 0.00 0.00 173.10 175.84 1b6r s ILE 156 N 4.39 5.22 -0.49 0.90 -1.09 -1.26 -5.00 121.20 123.87 1b6r s ILE 156 Ca 0.40 0.81 -0.15 0.00 -2.23 0.00 0.00 60.65 59.48 1b6r s ILE 156 Cb -0.09 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.12 1b6r s ILE 156 CO 0.26 0.34 0.41 0.20 -1.23 0.00 0.00 174.94 174.92 1b6r s ASN 157 N 0.61 6.13 0.19 3.58 0.01 -1.26 -5.04 114.94 119.17 1b6r s ASN 157 Ca 0.23 -1.44 0.05 0.00 -0.71 0.00 0.00 52.86 50.99 1b6r s ASN 157 Cb -0.14 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1b6r s ASN 157 CO 0.08 -0.69 0.17 0.72 -1.51 0.00 0.00 177.10 175.87 1b6r s PHE 158 N 1.62 3.17 0.11 2.20 -0.12 -1.26 -4.74 117.98 118.96 1b6r s PHE 158 Ca 0.04 -0.03 0.03 0.00 -0.05 0.00 0.00 56.93 56.92 1b6r s PHE 158 Cb -0.26 -1.49 -0.20 0.00 -0.63 0.00 0.00 43.02 40.44 1b6r s PHE 158 CO 0.06 0.52 1.25 0.66 -0.05 0.00 0.00 175.22 177.65 1b6r h SER 159 N 2.11 0.15 -5.49 1.98 4.64 -1.14 -3.49 113.55 112.31 1b6r h SER 159 Ca -0.48 -0.16 0.21 0.00 -0.47 0.00 0.00 61.79 60.90 1b6r h SER 159 Cb 1.21 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 63.19 1b6r h SER 159 CO 0.63 1.10 0.63 -0.83 -0.87 0.00 0.00 176.83 177.49 1b6r s GLY 160 N -4.67 -0.11 0.04 -0.77 0.00 -1.21 -4.99 107.32 95.62 1b6r s GLY 160 Ca -0.01 0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.81 1b6r s GLY 160 CO 0.84 1.61 -0.23 -0.54 0.00 0.00 0.00 173.10 174.77 1b6r s GLU 161 N -2.54 1.59 0.12 2.90 2.02 -1.26 0.62 118.70 122.15 1b6r s GLU 161 Ca 0.18 -1.01 -0.08 0.00 0.02 0.00 0.00 54.97 54.08 1b6r s GLU 161 Cb -0.01 -1.73 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 1b6r s GLU 161 CO 0.02 0.45 0.20 0.14 0.02 0.00 0.00 175.26 176.09 1b6r s VAL 162 N -0.79 0.11 0.03 2.63 -7.23 -0.82 -1.87 120.40 112.45 1b6r s VAL 162 Ca 0.09 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1b6r s VAL 162 Cb -0.09 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1b6r s VAL 162 CO 0.02 -0.51 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.30 1b6r s SER 163 N -2.92 0.62 -0.20 4.85 1.04 -0.64 -0.82 113.70 115.62 1b6r s SER 163 Ca 0.12 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1b6r s SER 163 Cb 0.05 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1b6r s SER 163 CO -0.06 -0.17 -0.11 -0.22 0.98 0.00 0.00 173.24 173.67 1b6r s LEU 164 N -1.21 2.57 -0.14 2.42 2.96 0.63 -2.09 118.68 123.82 1b6r s LEU 164 Ca -0.09 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1b6r s LEU 164 Cb -0.08 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1b6r s LEU 164 CO -0.00 -0.01 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.31 1b6r s VAL 165 N 1.37 4.04 0.33 1.68 1.01 -1.26 -0.45 120.40 127.14 1b6r s VAL 165 Ca 0.05 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1b6r s VAL 165 Cb -0.14 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.55 1b6r s VAL 165 CO -0.07 0.51 0.87 -0.83 0.00 0.00 0.00 175.10 175.58 1b6r s GLY 166 N 0.09 0.33 0.10 4.51 0.00 -0.99 -0.89 107.32 110.46 1b6r s GLY 166 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 44.72 44.00 1b6r s GLY 166 CO 0.02 0.53 0.14 0.00 0.00 0.00 0.00 173.10 173.79 1b6r s ALA 167 N -2.16 0.10 0.01 3.20 0.00 0.13 -1.45 121.76 121.58 1b6r s ALA 167 Ca 0.18 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1b6r s ALA 167 Cb -0.04 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1b6r s ALA 167 CO 0.10 -0.50 -0.08 0.50 0.00 0.00 0.00 175.76 175.78 1b6r s ARG 168 N -3.91 0.62 0.48 0.00 3.52 -0.77 -1.61 118.95 117.28 1b6r s ARG 168 Ca 0.09 -0.38 0.08 0.00 -0.13 0.00 0.00 55.73 55.40 1b6r s ARG 168 Cb 0.06 -0.57 0.03 0.00 -1.56 0.00 0.00 34.95 32.91 1b6r s ARG 168 CO -0.08 0.15 0.61 0.20 -0.81 0.00 0.00 175.30 175.37 1b6r s GLY 169 N -0.46 1.93 0.56 8.12 0.00 0.99 -0.66 107.32 117.80 1b6r s GLY 169 Ca 0.01 -1.84 0.26 0.00 0.00 0.00 0.00 44.72 43.15 1b6r s GLY 169 CO -0.00 -1.62 2.07 0.74 0.00 0.00 0.00 173.10 174.29 1b6r h PHE 170 N 0.54 0.00 -0.03 1.90 0.04 -1.89 0.22 116.94 117.72 1b6r h PHE 170 Ca -0.36 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.41 1b6r h PHE 170 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 1b6r h PHE 170 CO 0.47 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.78 1b6r n ASP 171 N -4.06 0.76 0.00 2.17 5.75 -1.26 -4.89 116.55 115.01 1b6r n ASP 171 Ca 0.04 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 1b6r n ASP 171 Cb 0.39 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1b6r n ASP 171 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b6r n GLY 172 N 1.04 1.09 3.75 6.12 0.00 0.78 -5.01 105.19 112.96 1b6r n GLY 172 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1b6r n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b6r s SER 173 N -3.06 5.08 -0.04 1.61 0.01 -1.26 -4.71 113.70 111.33 1b6r s SER 173 Ca 0.00 2.41 -0.02 0.00 1.31 0.00 0.00 55.95 59.65 1b6r s SER 173 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 1b6r s SER 173 CO 0.00 -1.67 0.08 0.28 0.41 0.00 0.00 173.24 172.34 1b6r s THR 174 N -1.60 -0.04 0.04 1.44 -1.32 -1.26 -0.01 115.64 112.89 1b6r s THR 174 Ca 0.78 0.15 0.06 0.00 -1.21 0.00 0.00 61.69 61.46 1b6r s THR 174 Cb -0.31 -0.15 -0.02 0.00 -1.51 0.00 0.00 72.50 70.51 1b6r s THR 174 CO 0.34 0.06 -0.17 0.68 -2.21 0.00 0.00 174.62 173.33 1b6r s VAL 175 N 0.83 1.32 0.11 5.08 -7.23 -0.63 -4.98 120.40 114.90 1b6r s VAL 175 Ca -0.07 -1.07 0.03 0.00 -1.81 0.00 0.00 61.98 59.06 1b6r s VAL 175 Cb -0.09 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 1b6r s VAL 175 CO -0.03 0.08 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.39 1b6r s PHE 176 N -0.83 1.03 0.49 2.82 0.08 -1.26 0.17 117.98 120.48 1b6r s PHE 176 Ca 0.04 -0.77 0.05 0.00 0.12 0.00 0.00 56.93 56.37 1b6r s PHE 176 Cb -0.08 -0.56 0.03 0.00 -0.57 0.00 0.00 43.02 41.84 1b6r s PHE 176 CO 0.01 -0.04 0.68 0.71 -0.10 0.00 0.00 175.22 176.48 1b6r s TYR 177 N -3.04 2.67 0.76 0.36 2.02 -0.07 -4.76 117.35 115.29 1b6r s TYR 177 Ca 0.10 -0.28 -0.11 0.00 -0.37 0.00 0.00 57.07 56.41 1b6r s TYR 177 Cb 0.01 -2.53 0.05 0.00 -0.40 0.00 0.00 41.96 39.09 1b6r s TYR 177 CO -0.02 -0.69 1.09 -2.14 -1.57 0.00 0.00 175.55 172.22 1b6r s PRO 178 N -4.55 2.34 0.54 -1.71 0.02 -1.26 -4.64 135.00 125.74 1b6r s PRO 178 Ca 0.57 1.17 -0.21 0.00 0.02 0.00 0.00 61.00 62.54 1b6r s PRO 178 Cb -0.10 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1b6r s PRO 178 CO 0.36 -1.58 1.29 -0.51 -0.33 0.00 0.00 177.00 176.23 1b6r s LEU 179 N -5.82 3.84 -0.13 -5.54 1.43 -1.26 -4.72 118.68 106.47 1b6r s LEU 179 Ca 0.61 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 56.31 1b6r s LEU 179 Cb -0.17 -4.34 -0.01 0.00 0.03 0.00 0.00 46.19 41.70 1b6r s LEU 179 CO 0.55 -1.47 -0.15 -0.89 0.23 0.00 0.00 176.35 174.62 1b6r s THR 180 N -1.41 2.82 -0.18 5.49 2.01 -0.89 -4.32 115.64 119.17 1b6r s THR 180 Ca 0.72 -0.74 -0.28 0.00 0.31 0.00 0.00 61.69 61.70 1b6r s THR 180 Cb -0.36 -2.17 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 1b6r s THR 180 CO 0.42 0.53 0.98 -1.00 -0.69 0.00 0.00 174.62 174.85 1b6r s HIS 181 N 0.47 3.41 0.18 4.92 0.09 0.07 -1.62 115.29 122.81 1b6r s HIS 181 Ca -0.11 1.45 0.07 0.00 -0.00 0.00 0.00 55.06 56.48 1b6r s HIS 181 Cb -0.16 -3.18 -0.04 0.00 -0.00 0.00 0.00 32.58 29.20 1b6r s HIS 181 CO 0.05 -0.34 0.01 -0.80 -0.00 0.00 0.00 174.74 173.65 1b6r s ASN 182 N 1.17 4.80 -0.19 1.40 0.02 -0.78 -0.75 114.94 120.61 1b6r s ASN 182 Ca 0.44 -0.39 -0.00 0.00 -1.02 0.00 0.00 52.86 51.89 1b6r s ASN 182 Cb -0.16 -1.03 0.05 0.00 0.02 0.00 0.00 41.25 40.12 1b6r s ASN 182 CO 0.11 0.09 -0.05 -0.22 0.02 0.00 0.00 177.10 177.05 1b6r s LEU 183 N -2.96 1.85 0.02 0.60 2.96 0.29 -4.37 118.68 117.07 1b6r s LEU 183 Ca 0.28 -0.81 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1b6r s LEU 183 Cb -0.09 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 1b6r s LEU 183 CO 0.19 -0.20 0.09 -1.00 -1.32 0.00 0.00 176.35 174.11 1b6r s HIS 184 N 1.58 3.29 -0.04 5.38 3.76 -1.26 0.33 115.29 128.32 1b6r s HIS 184 Ca -0.01 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.09 1b6r s HIS 184 Cb -0.16 -1.72 0.03 0.00 1.11 0.00 0.00 32.58 31.83 1b6r s HIS 184 CO -0.07 0.55 -0.01 -0.65 -0.85 0.00 0.00 174.74 173.71 1b6r s GLN 185 N -1.93 0.52 -1.47 1.40 -0.21 0.18 -4.77 119.66 113.37 1b6r s GLN 185 Ca 0.25 0.05 -0.12 0.00 0.02 0.00 0.00 55.36 55.56 1b6r s GLN 185 Cb -0.12 -0.71 0.08 0.00 1.00 0.00 0.00 33.01 33.25 1b6r s GLN 185 CO 0.17 -0.17 0.77 -0.25 -2.12 0.00 0.00 175.29 173.68 1b6r n ASP 186 N 4.43 -4.50 -0.49 5.90 8.00 -1.26 -0.16 116.55 128.46 1b6r n ASP 186 Ca -0.20 -0.62 -0.06 0.00 0.71 0.00 0.00 54.79 54.62 1b6r n ASP 186 Cb 0.50 -3.64 -0.03 0.00 -0.02 0.00 0.00 41.12 37.93 1b6r n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b6r n GLY 187 N -1.48 0.87 3.03 0.44 0.00 -1.26 -5.02 105.19 101.76 1b6r n GLY 187 Ca 0.01 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 1b6r n GLY 187 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b6r s ILE 188 N -2.23 1.14 0.17 -0.61 1.01 0.77 -5.10 121.20 116.35 1b6r s ILE 188 Ca 0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 60.65 59.85 1b6r s ILE 188 Cb 0.00 -1.04 -0.11 0.00 0.01 0.00 0.00 42.46 41.32 1b6r s ILE 188 CO 0.00 0.35 1.76 -0.22 0.00 0.00 0.00 174.94 176.84 1b6r s LEU 189 N 0.60 4.38 -0.03 2.97 2.96 -1.26 0.50 118.68 128.79 1b6r s LEU 189 Ca -0.13 2.81 0.01 0.00 -0.22 0.00 0.00 54.13 56.59 1b6r s LEU 189 Cb -0.15 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1b6r s LEU 189 CO 0.04 -0.98 -0.02 0.54 -1.32 0.00 0.00 176.35 174.60 1b6r n ARG 190 N 4.77 1.01 -3.82 1.98 5.12 0.15 -4.80 116.66 121.07 1b6r n ARG 190 Ca 0.17 0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.98 1b6r n ARG 190 Cb 0.37 -1.07 -0.12 0.00 -1.16 0.00 0.00 32.46 30.48 1b6r n ARG 190 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1b6r s THR 191 N -2.07 0.02 -0.02 0.55 2.01 -1.19 -1.86 115.64 113.08 1b6r s THR 191 Ca -0.04 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 61.84 1b6r s THR 191 Cb 0.01 -0.30 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 1b6r s THR 191 CO 0.09 -0.08 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.40 1b6r s SER 192 N -0.23 1.13 -0.05 3.53 0.01 -0.97 -0.55 113.70 116.58 1b6r s SER 192 Ca -0.03 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.08 1b6r s SER 192 Cb -0.03 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.00 1b6r s SER 192 CO 0.01 0.09 -0.12 -0.69 0.41 0.00 0.00 173.24 172.94 1b6r s VAL 193 N -0.03 1.07 -0.03 3.43 1.01 0.07 -1.68 120.40 124.23 1b6r s VAL 193 Ca 0.01 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1b6r s VAL 193 Cb -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1b6r s VAL 193 CO -0.00 0.33 -0.17 0.00 0.00 0.00 0.00 175.10 175.26 1b6r s ALA 194 N 0.39 1.47 -0.07 5.51 0.00 -0.31 -0.75 121.76 128.01 1b6r s ALA 194 Ca -0.09 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1b6r s ALA 194 Cb -0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1b6r s ALA 194 CO 0.02 0.29 -0.05 -0.06 0.00 0.00 0.00 175.76 175.96 1b6r s PHE 195 N -0.06 3.00 0.44 0.00 0.08 -1.26 -1.20 117.98 118.97 1b6r s PHE 195 Ca -0.01 0.07 0.13 0.00 0.12 0.00 0.00 56.93 57.23 1b6r s PHE 195 Cb -0.10 -1.72 1.02 0.00 -0.57 0.00 0.00 43.02 41.64 1b6r s PHE 195 CO 0.01 0.37 2.01 -1.00 -0.10 0.00 0.00 175.22 176.52 1b6r h PRO 196 N 5.16 0.39 -3.78 0.24 0.13 -1.88 -3.33 132.00 128.93 1b6r h PRO 196 Ca -0.49 -0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 63.96 1b6r h PRO 196 Cb 1.18 -0.09 -0.40 0.00 0.13 0.00 0.00 31.00 31.82 1b6r h PRO 196 CO 0.53 0.26 -0.63 -1.14 -0.23 0.00 0.00 178.00 176.79 1b6r s GLN 197 N -5.38 1.90 1.05 0.86 2.00 -1.26 -4.85 119.66 113.97 1b6r s GLN 197 Ca -0.08 -2.40 -0.16 0.00 -2.00 0.00 0.00 55.36 50.73 1b6r s GLN 197 Cb 0.19 -3.33 0.22 0.00 0.80 0.00 0.00 33.01 30.89 1b6r s GLN 197 CO 0.74 -1.07 1.17 0.00 -0.50 0.00 0.00 175.29 175.63 1b6r s ALA 198 N 0.08 1.35 0.05 1.58 0.00 -1.25 -4.90 121.76 118.67 1b6r s ALA 198 Ca 0.15 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1b6r s ALA 198 Cb -0.24 -2.91 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 1b6r s ALA 198 CO -0.03 -2.91 1.87 1.21 0.00 0.00 0.00 175.76 175.91 1b6r s ASN 199 N -4.16 6.48 0.30 0.00 3.84 -1.26 -4.86 114.94 115.28 1b6r s ASN 199 Ca 0.70 2.63 0.01 0.00 0.21 0.00 0.00 52.86 56.40 1b6r s ASN 199 Cb -0.10 -2.54 0.53 0.00 -0.55 0.00 0.00 41.25 38.59 1b6r s ASN 199 CO 0.55 -1.02 1.89 0.00 -2.79 0.00 0.00 177.10 175.73 1b6r h ALA 200 N 9.82 1.52 -0.03 1.71 0.00 -1.99 0.68 119.26 130.98 1b6r h ALA 200 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1b6r h ALA 200 Cb 1.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1b6r h ALA 200 CO 0.94 0.32 -0.03 1.96 0.00 0.00 0.00 179.25 182.45 1b6r h GLN 201 N 1.03 0.07 -0.71 0.00 1.08 -1.98 -0.68 115.11 113.91 1b6r h GLN 201 Ca 0.42 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.56 1b6r h GLN 201 Cb 0.27 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 1b6r h GLN 201 CO -0.17 0.54 0.37 0.37 -0.95 0.00 0.00 178.83 178.98 1b6r h GLN 202 N -0.39 1.00 -0.62 1.46 4.15 -1.91 0.43 115.11 119.23 1b6r h GLN 202 Ca 0.01 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 1b6r h GLN 202 Cb 0.52 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1b6r h GLN 202 CO 0.01 0.75 0.17 0.37 -1.93 0.00 0.00 178.83 178.19 1b6r h GLN 203 N 1.00 0.98 -0.08 1.69 5.75 -0.81 -0.58 115.11 123.07 1b6r h GLN 203 Ca 0.25 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1b6r h GLN 203 Cb 0.06 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 1b6r h GLN 203 CO -0.04 0.89 0.03 0.00 -2.65 0.00 0.00 178.83 177.06 1b6r h ALA 204 N 1.05 0.10 -0.71 3.38 0.00 -0.20 -1.42 119.26 121.46 1b6r h ALA 204 Ca 0.20 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1b6r h ALA 204 Cb 0.33 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1b6r h ALA 204 CO -0.00 -0.30 0.38 0.00 0.00 0.00 0.00 179.25 179.33 1b6r h ARG 205 N -0.05 0.65 -0.36 0.00 2.47 0.09 -2.07 114.38 115.11 1b6r h ARG 205 Ca 0.03 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 1b6r h ARG 205 Cb 0.19 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1b6r h ARG 205 CO -0.00 0.43 0.00 0.00 0.56 0.00 0.00 179.97 180.96 1b6r h ALA 206 N 1.40 0.48 -1.00 0.04 0.00 -0.92 -3.08 119.26 116.19 1b6r h ALA 206 Ca 0.34 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1b6r h ALA 206 Cb 0.29 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1b6r h ALA 206 CO -0.23 0.24 0.65 0.93 0.00 0.00 0.00 179.25 180.84 1b6r h GLU 207 N 0.44 1.19 -0.69 0.00 5.08 -0.88 -0.75 114.58 118.97 1b6r h GLU 207 Ca 0.10 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 1b6r h GLU 207 Cb 0.45 -0.27 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 1b6r h GLU 207 CO 0.02 0.79 0.27 0.93 -1.00 0.00 0.00 179.01 180.02 1b6r h GLU 208 N 1.23 0.44 -0.21 2.33 5.08 -1.36 0.61 114.58 122.69 1b6r h GLU 208 Ca 0.41 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.55 1b6r h GLU 208 Cb 0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1b6r h GLU 208 CO -0.14 0.29 -0.65 0.52 -1.00 0.00 0.00 179.01 178.02 1b6r h MET 209 N 0.45 0.78 -0.25 2.33 2.86 -1.26 -2.79 114.93 117.05 1b6r h MET 209 Ca 0.36 -0.56 -0.14 0.00 -2.06 0.00 0.00 59.70 57.31 1b6r h MET 209 Cb 0.49 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1b6r h MET 209 CO -0.35 1.18 -0.40 1.25 1.06 0.00 0.00 176.91 179.64 1b6r h LEU 210 N 0.57 0.63 -0.36 1.22 5.85 -0.35 -2.45 115.31 120.43 1b6r h LEU 210 Ca -0.02 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1b6r h LEU 210 Cb 1.26 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1b6r h LEU 210 CO 0.14 0.97 0.09 0.28 -0.34 0.00 0.00 178.44 179.58 1b6r h SER 211 N 0.49 0.53 -0.68 1.25 0.02 -0.96 0.47 113.55 114.67 1b6r h SER 211 Ca 0.04 -0.22 0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1b6r h SER 211 Cb 0.91 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.23 1b6r h SER 211 CO 0.08 0.62 0.26 0.00 -1.14 0.00 0.00 176.83 176.64 1b6r h ALA 212 N 0.94 0.91 0.70 3.77 0.00 -1.43 0.37 119.26 124.51 1b6r h ALA 212 Ca 0.11 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1b6r h ALA 212 Cb 0.29 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1b6r h ALA 212 CO -0.00 -0.20 -0.33 0.82 0.00 0.00 0.00 179.25 179.54 1b6r h ILE 213 N 0.42 0.17 -0.84 0.00 2.04 -0.95 -1.18 117.51 117.17 1b6r h ILE 213 Ca 0.36 -0.24 0.13 0.00 1.00 0.00 0.00 64.86 66.11 1b6r h ILE 213 Cb 0.50 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 36.71 1b6r h ILE 213 CO -0.36 0.02 0.45 0.24 0.00 0.00 0.00 178.15 178.50 1b6r h MET 214 N -1.13 0.65 -0.12 2.37 2.86 -0.63 -0.64 114.93 118.30 1b6r h MET 214 Ca -0.10 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1b6r h MET 214 Cb 0.75 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1b6r h MET 214 CO 0.16 0.43 0.02 0.37 1.06 0.00 0.00 176.91 178.95 1b6r h GLN 215 N 0.67 0.20 -0.89 1.72 4.15 -0.91 0.26 115.11 120.32 1b6r h GLN 215 Ca 0.44 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 59.89 1b6r h GLN 215 Cb 0.57 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.17 1b6r h GLN 215 CO -0.33 0.41 0.54 1.49 -1.93 0.00 0.00 178.83 179.01 1b6r h GLU 216 N -0.03 0.92 0.00 1.69 4.57 -0.58 -1.31 114.58 119.83 1b6r h GLU 216 Ca 0.04 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1b6r h GLU 216 Cb 0.30 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1b6r h GLU 216 CO 0.00 0.61 -0.05 1.28 -1.18 0.00 0.00 179.01 179.67 1b6r n LEU 217 N -4.64 0.55 -2.37 1.64 4.32 -0.30 -4.90 117.00 111.29 1b6r n LEU 217 Ca 0.14 0.52 -0.16 0.00 -0.02 0.00 0.00 56.01 56.48 1b6r n LEU 217 Cb 0.23 -0.36 0.04 0.00 -1.62 0.00 0.00 43.42 41.70 1b6r n LEU 217 CO 0.29 -0.11 0.05 0.61 -1.22 0.00 0.00 177.39 177.02 1b6r n GLY 218 N 1.37 -0.16 3.73 -0.72 0.00 0.62 -4.93 105.19 105.09 1b6r n GLY 218 Ca 0.06 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1b6r n GLY 218 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b6r s TYR 219 N -3.07 3.64 -0.20 1.61 5.04 0.43 -4.94 117.35 119.87 1b6r s TYR 219 Ca 0.28 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.54 1b6r s TYR 219 Cb -0.12 -3.22 0.04 0.00 0.35 0.00 0.00 41.96 39.01 1b6r s TYR 219 CO 0.34 -0.42 -0.11 0.08 -1.34 0.00 0.00 175.55 174.10 1b6r s VAL 220 N 0.13 1.69 -1.78 3.14 1.01 -1.26 -4.56 120.40 118.76 1b6r s VAL 220 Ca 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1b6r s VAL 220 Cb -0.27 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1b6r s VAL 220 CO 0.32 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1b6r n GLY 221 N 4.68 0.60 3.75 4.51 0.00 0.16 -4.79 105.19 114.10 1b6r n GLY 221 Ca -0.15 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.32 1b6r n GLY 221 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b6r s VAL 222 N -0.90 4.70 -0.00 1.61 1.01 -1.26 -1.86 120.40 123.70 1b6r s VAL 222 Ca 0.00 1.59 -0.01 0.00 0.00 0.00 0.00 61.98 63.56 1b6r s VAL 222 Cb 0.00 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 1b6r s VAL 222 CO 0.00 0.40 0.01 -0.32 0.00 0.00 0.00 175.10 175.19 1b6r s MET 223 N -0.26 0.08 0.03 2.72 0.00 -0.53 -2.31 119.30 119.04 1b6r s MET 223 Ca 0.37 -0.11 0.06 0.00 0.00 0.00 0.00 55.69 56.02 1b6r s MET 223 Cb -0.21 0.03 -0.03 0.00 0.00 0.00 0.00 34.83 34.62 1b6r s MET 223 CO 0.23 -0.01 -0.16 0.00 0.00 0.00 0.00 175.02 175.08 1b6r s ALA 224 N -0.30 2.69 -0.15 4.11 0.00 0.13 -2.35 121.76 125.89 1b6r s ALA 224 Ca -0.03 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1b6r s ALA 224 Cb -0.02 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.30 1b6r s ALA 224 CO -0.00 0.58 -0.13 1.41 0.00 0.00 0.00 175.76 177.63 1b6r s MET 225 N -1.45 2.14 -0.10 0.00 1.75 0.41 -0.49 119.30 121.55 1b6r s MET 225 Ca 0.15 -0.54 -0.12 0.00 -1.25 0.00 0.00 55.69 53.93 1b6r s MET 225 Cb -0.11 -2.06 -0.05 0.00 2.84 0.00 0.00 34.83 35.46 1b6r s MET 225 CO 0.06 -0.27 0.27 -1.21 -0.65 0.00 0.00 175.02 173.23 1b6r s GLU 226 N 1.52 3.90 0.19 4.11 2.02 0.31 -0.27 118.70 130.48 1b6r s GLU 226 Ca 0.04 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.14 1b6r s GLU 226 Cb -0.13 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1b6r s GLU 226 CO -0.10 0.54 0.08 0.00 0.02 0.00 0.00 175.26 175.80 1b6r s PHE 228 N -3.94 2.90 -0.23 0.00 0.08 -0.44 -1.95 117.98 114.40 1b6r s PHE 228 Ca 0.32 -0.01 -0.16 0.00 0.12 0.00 0.00 56.93 57.19 1b6r s PHE 228 Cb 0.07 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1b6r s PHE 228 CO 0.08 0.33 0.43 0.08 -0.10 0.00 0.00 175.22 176.04 1b6r s VAL 229 N -0.86 5.15 0.30 -0.44 1.01 0.20 -1.43 120.40 124.34 1b6r s VAL 229 Ca 0.14 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.89 1b6r s VAL 229 Cb -0.11 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1b6r s VAL 229 CO 0.03 0.18 0.13 0.35 0.00 0.00 0.00 175.10 175.79 1b6r n THR 230 N 4.75 0.00 0.11 3.92 -2.24 -0.76 -0.49 114.28 119.58 1b6r n THR 230 Ca -0.07 -1.79 -0.01 0.00 -2.27 0.00 0.00 64.05 59.91 1b6r n THR 230 Cb 0.51 0.68 0.25 0.00 -2.10 0.00 0.00 70.33 69.66 1b6r n THR 230 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1b6r h PRO 231 N 0.00 0.18 -1.84 -0.78 0.11 -1.97 -3.22 132.00 124.48 1b6r h PRO 231 Ca -0.23 -0.08 -0.71 0.00 0.11 0.00 0.00 66.00 65.09 1b6r h PRO 231 Cb 0.91 -0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.70 1b6r h PRO 231 CO 0.36 0.57 0.45 0.00 -0.21 0.00 0.00 178.00 179.17 1b6r n GLN 232 N -4.02 3.00 0.00 1.05 0.00 -1.26 -5.05 117.38 111.10 1b6r n GLN 232 Ca -0.02 -3.87 0.00 0.00 0.00 0.00 0.00 57.00 53.12 1b6r n GLN 232 Cb 0.47 -2.26 0.00 0.00 0.00 0.00 0.00 30.24 28.45 1b6r n GLN 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1b6r n GLY 233 N -0.52 -1.91 3.79 2.61 0.00 -1.22 -4.90 105.19 103.05 1b6r n GLY 233 Ca 0.49 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1b6r n GLY 233 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b6r s LEU 234 N 0.00 4.42 -0.07 0.99 1.43 -1.26 -1.83 118.68 122.36 1b6r s LEU 234 Ca 0.00 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1b6r s LEU 234 Cb 0.00 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1b6r s LEU 234 CO 0.00 0.05 -0.18 -0.76 0.23 0.00 0.00 176.35 175.68 1b6r s LEU 235 N -1.77 1.90 0.04 1.79 1.02 -0.51 -4.73 118.68 116.41 1b6r s LEU 235 Ca 0.44 -0.41 -0.30 0.00 0.02 0.00 0.00 54.13 53.87 1b6r s LEU 235 Cb -0.19 -1.08 -0.05 0.00 0.02 0.00 0.00 46.19 44.88 1b6r s LEU 235 CO 0.24 0.13 1.24 -0.63 0.02 0.00 0.00 176.35 177.35 1b6r s ILE 236 N 0.27 3.98 -0.13 -0.59 1.01 0.26 -1.32 121.20 124.67 1b6r s ILE 236 Ca -0.11 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 61.81 1b6r s ILE 236 Cb -0.15 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1b6r s ILE 236 CO 0.04 0.08 -0.26 -3.20 0.00 0.00 0.00 174.94 171.60 1b6r n ASN 237 N 4.33 1.45 -3.79 3.58 4.05 0.66 -4.24 115.26 121.30 1b6r n ASN 237 Ca 0.10 0.25 -0.09 0.00 0.45 0.00 0.00 54.58 55.28 1b6r n ASN 237 Cb 0.46 -0.67 -0.06 0.00 1.23 0.00 0.00 39.78 40.73 1b6r n ASN 237 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1b6r s GLU 238 N -2.43 0.94 0.08 1.20 2.12 -0.80 -5.00 118.70 114.80 1b6r s GLU 238 Ca -0.22 -0.90 0.10 0.00 0.36 0.00 0.00 54.97 54.32 1b6r s GLU 238 Cb 0.03 0.39 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 1b6r s GLU 238 CO 0.32 -0.33 -0.26 -0.51 -0.54 0.00 0.00 175.26 173.94 1b6r s LEU 239 N -2.85 2.22 -0.10 2.70 1.02 -1.26 0.11 118.68 120.53 1b6r s LEU 239 Ca 0.05 -0.64 -0.01 0.00 0.02 0.00 0.00 54.13 53.55 1b6r s LEU 239 Cb 0.04 -1.22 0.03 0.00 0.02 0.00 0.00 46.19 45.06 1b6r s LEU 239 CO -0.11 0.21 -0.04 0.00 0.02 0.00 0.00 176.35 176.43 1b6r s ALA 240 N -0.91 1.07 -1.39 4.21 0.00 0.35 -4.98 121.76 120.10 1b6r s ALA 240 Ca 0.12 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1b6r s ALA 240 Cb -0.10 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.22 1b6r s ALA 240 CO 0.03 -0.43 2.61 -0.35 0.00 0.00 0.00 175.76 177.62 1b6r n PRO 241 N 5.03 4.22 -3.06 0.00 -0.04 -1.26 0.18 135.00 140.07 1b6r n PRO 241 Ca -0.10 -2.98 0.00 0.00 -0.04 0.00 0.00 63.50 60.38 1b6r n PRO 241 Cb 0.50 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 1b6r n PRO 241 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1b6r n ARG 242 N 2.35 -2.98 -1.86 0.54 1.85 -0.98 -4.93 116.66 110.64 1b6r n ARG 242 Ca 0.68 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 57.15 1b6r n ARG 242 Cb 0.25 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.70 1b6r n ARG 242 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1b6r s VAL 243 N -2.04 2.25 0.05 8.89 -7.23 -1.26 -3.96 120.40 117.10 1b6r s VAL 243 Ca 0.00 0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.38 1b6r s VAL 243 Cb 0.00 -3.09 -0.02 0.00 0.56 0.00 0.00 36.38 33.83 1b6r s VAL 243 CO 0.00 -0.01 -0.10 -2.28 -0.31 0.00 0.00 175.10 172.40 1b6r s HIS 244 N -1.37 0.86 0.41 2.82 2.46 -1.26 -5.00 115.29 114.21 1b6r s HIS 244 Ca 0.72 -0.47 0.18 0.00 0.47 0.00 0.00 55.06 55.96 1b6r s HIS 244 Cb -0.38 -0.50 1.08 0.00 -0.13 0.00 0.00 32.58 32.65 1b6r s HIS 244 CO 0.44 -0.03 1.82 -0.97 -2.47 0.00 0.00 174.74 173.53 1b6r h ASN 245 N 4.50 0.43 0.36 9.88 -0.00 -2.03 0.42 115.58 129.14 1b6r h ASN 245 Ca -0.37 0.06 0.00 0.00 -0.00 0.00 0.00 56.30 55.98 1b6r h ASN 245 Cb 1.20 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.50 1b6r h ASN 245 CO 0.41 0.14 0.00 -1.54 -0.00 0.00 0.00 177.43 176.44 1b6r n SER 246 N -4.55 0.00 -0.93 1.15 3.41 -1.26 -2.59 113.62 108.84 1b6r n SER 246 Ca 0.21 0.25 0.10 0.00 -0.26 0.00 0.00 58.87 59.17 1b6r n SER 246 Cb 0.76 -0.37 0.16 0.00 -0.26 0.00 0.00 64.21 64.49 1b6r n SER 246 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b6r n GLY 247 N -0.04 1.35 0.37 5.00 0.00 0.15 -4.55 105.19 107.46 1b6r n GLY 247 Ca 0.06 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1b6r n GLY 247 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1b6r h HIS 248 N 3.81 0.60 -0.35 1.61 -0.00 -1.56 -0.78 115.15 118.48 1b6r h HIS 248 Ca 0.00 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.49 1b6r h HIS 248 Cb 0.86 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 1b6r h HIS 248 CO 0.16 0.25 0.35 0.11 -0.00 0.00 0.00 177.93 178.81 1b6r h TRP 249 N 0.53 0.00 0.00 2.45 5.08 -1.83 0.12 115.95 122.30 1b6r h TRP 249 Ca 0.36 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.33 1b6r h TRP 249 Cb 0.66 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.82 1b6r h TRP 249 CO -0.00 0.00 0.00 1.79 -1.28 0.00 0.00 178.44 178.95 1b6r h THR 250 N 0.00 0.00 -0.96 0.12 1.35 -1.49 0.71 112.91 112.64 1b6r h THR 250 Ca 0.17 -0.07 0.02 0.00 -0.55 0.00 0.00 66.41 65.97 1b6r h THR 250 Cb 0.87 0.73 -0.05 0.00 -1.73 0.00 0.00 68.15 67.98 1b6r h THR 250 CO -0.00 0.00 0.63 1.56 -0.25 0.00 0.00 175.52 177.46 1b6r h GLN 251 N 0.00 1.24 0.00 4.72 4.20 -0.94 -3.01 115.11 121.32 1b6r h GLN 251 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1b6r h GLN 251 Cb 0.10 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1b6r h GLN 251 CO 0.00 0.82 -0.49 0.09 -0.67 0.00 0.00 178.83 178.57 1b6r n ASN 252 N -4.43 1.05 -0.60 1.46 4.13 -0.99 -4.71 115.26 111.17 1b6r n ASN 252 Ca 0.11 -0.49 0.09 0.00 1.68 0.00 0.00 54.58 55.98 1b6r n ASN 252 Cb 0.03 1.06 0.05 0.00 -1.54 0.00 0.00 39.78 39.38 1b6r n ASN 252 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b6r n GLY 253 N 1.37 0.24 3.20 7.41 0.00 0.21 -4.95 105.19 112.67 1b6r n GLY 253 Ca 0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1b6r n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6r s ALA 254 N -1.71 1.21 0.17 4.61 0.00 -1.14 -4.49 121.76 120.41 1b6r s ALA 254 Ca 0.19 -1.35 0.32 0.00 0.00 0.00 0.00 51.96 51.12 1b6r s ALA 254 Cb 0.15 0.07 1.34 0.00 0.00 0.00 0.00 23.12 24.68 1b6r s ALA 254 CO 0.31 -0.11 1.98 0.66 0.00 0.00 0.00 175.76 178.60 1b6r h SER 255 N 3.11 0.00 -3.25 0.00 4.64 -1.51 -3.41 113.55 113.14 1b6r h SER 255 Ca -0.36 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.51 1b6r h SER 255 Cb 1.18 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.89 1b6r h SER 255 CO 0.60 0.06 -0.77 -0.63 -0.87 0.00 0.00 176.83 175.22 1b6r s ILE 256 N -3.74 0.40 0.72 0.95 1.01 -1.26 -4.95 121.20 114.34 1b6r s ILE 256 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 1b6r s ILE 256 Cb 0.10 -0.57 0.05 0.00 0.01 0.00 0.00 42.46 42.05 1b6r s ILE 256 CO 0.56 0.25 1.07 -0.94 0.00 0.00 0.00 174.94 175.88 1b6r s SER 257 N 1.96 4.95 0.49 3.58 1.04 -1.26 -4.85 113.70 119.62 1b6r s SER 257 Ca 0.05 0.74 0.20 0.00 0.48 0.00 0.00 55.95 57.41 1b6r s SER 257 Cb -0.12 -1.41 1.26 0.00 0.10 0.00 0.00 66.02 65.84 1b6r s SER 257 CO -0.05 -1.58 2.07 0.06 0.98 0.00 0.00 173.24 174.72 1b6r h GLN 258 N -0.71 0.00 -0.05 4.02 3.07 -1.83 0.38 115.11 120.00 1b6r h GLN 258 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.26 1b6r h GLN 258 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.86 1b6r h GLN 258 CO 0.63 0.12 -0.09 0.74 0.09 0.00 0.00 178.83 180.32 1b6r h PHE 259 N 0.00 0.19 -0.36 0.06 0.04 -1.92 -0.72 116.94 114.24 1b6r h PHE 259 Ca -0.00 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1b6r h PHE 259 Cb 0.24 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1b6r h PHE 259 CO 0.00 0.66 0.23 0.93 -0.60 0.00 0.00 178.31 179.54 1b6r h GLU 260 N -0.34 0.47 -0.40 1.51 5.08 -1.78 -0.96 114.58 118.16 1b6r h GLU 260 Ca 0.00 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1b6r h GLU 260 Cb 0.65 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1b6r h GLU 260 CO 0.02 0.31 0.13 1.25 -1.00 0.00 0.00 179.01 179.72 1b6r h LEU 261 N 0.48 0.12 -0.67 1.33 5.85 -0.93 0.38 115.31 121.86 1b6r h LEU 261 Ca 0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1b6r h LEU 261 Cb -0.05 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1b6r h LEU 261 CO -0.03 0.10 0.43 -0.74 -0.34 0.00 0.00 178.44 177.87 1b6r h HIS 262 N 0.28 0.86 -0.43 1.25 2.76 -0.65 -1.67 115.15 117.56 1b6r h HIS 262 Ca 0.19 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.25 1b6r h HIS 262 Cb 0.18 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1b6r h HIS 262 CO -0.16 0.56 -0.19 -0.07 -1.30 0.00 0.00 177.93 176.77 1b6r h LEU 263 N 0.91 0.84 0.20 0.26 3.38 -0.06 -2.90 115.31 117.95 1b6r h LEU 263 Ca 0.24 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1b6r h LEU 263 Cb -0.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.44 1b6r h LEU 263 CO -0.05 1.02 -0.09 0.03 0.09 0.00 0.00 178.44 179.43 1b6r h ARG 264 N 0.73 -0.25 -0.26 1.13 3.08 -0.03 -2.42 114.38 116.36 1b6r h ARG 264 Ca 0.11 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1b6r h ARG 264 Cb 0.71 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.75 1b6r h ARG 264 CO 0.05 -0.05 -0.20 0.00 -1.07 0.00 0.00 179.97 178.70 1b6r h ALA 265 N 0.36 -0.03 0.00 0.04 0.00 -1.29 0.12 119.26 118.46 1b6r h ALA 265 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1b6r h ALA 265 Cb 0.32 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1b6r h ALA 265 CO 0.04 -0.61 0.00 -0.84 0.00 0.00 0.00 179.25 177.84 1b6r h ILE 266 N -0.19 0.00 -0.55 0.00 3.07 -1.52 -2.76 117.51 115.56 1b6r h ILE 266 Ca 0.14 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1b6r h ILE 266 Cb 0.41 1.40 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 1b6r h ILE 266 CO -0.37 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 177.08 1b6r n THR 267 N -2.77 1.14 -2.42 0.16 -2.24 -0.91 -4.96 114.28 102.28 1b6r n THR 267 Ca 0.02 -1.06 -0.15 0.00 -2.27 0.00 0.00 64.05 60.60 1b6r n THR 267 Cb 0.32 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1b6r n THR 267 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1b6r n ASP 268 N 1.06 -4.45 -4.75 3.42 2.03 -0.71 -5.02 116.55 108.13 1b6r n ASP 268 Ca 0.19 -0.07 -0.25 0.00 0.52 0.00 0.00 54.79 55.19 1b6r n ASP 268 Cb 0.59 -3.52 0.09 0.00 -0.72 0.00 0.00 41.12 37.55 1b6r n ASP 268 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1b6r s LEU 269 N -4.27 2.93 0.50 -2.67 1.02 0.32 -5.02 118.68 111.50 1b6r s LEU 269 Ca 0.06 0.11 -0.22 0.00 0.02 0.00 0.00 54.13 54.10 1b6r s LEU 269 Cb -0.03 -2.63 -0.06 0.00 0.02 0.00 0.00 46.19 43.50 1b6r s LEU 269 CO 0.08 -1.75 1.24 -2.84 0.02 0.00 0.00 176.35 173.09 1b6r s PRO 270 N -5.22 3.47 -0.45 1.29 0.02 -1.26 -4.57 135.00 128.27 1b6r s PRO 270 Ca 0.63 1.95 0.09 0.00 0.02 0.00 0.00 61.00 63.69 1b6r s PRO 270 Cb -0.08 -2.32 0.30 0.00 0.02 0.00 0.00 34.50 32.42 1b6r s PRO 270 CO 0.45 -0.84 0.70 -0.11 -0.33 0.00 0.00 177.00 176.87 1b6r n LEU 271 N -0.77 1.69 -4.80 -5.54 7.94 -1.26 -4.80 117.00 109.45 1b6r n LEU 271 Ca 0.09 -5.09 -0.29 0.00 -1.11 0.00 0.00 56.01 49.61 1b6r n LEU 271 Cb 0.47 0.26 0.14 0.00 0.53 0.00 0.00 43.42 44.82 1b6r n LEU 271 CO 0.49 2.19 0.73 -2.16 -1.11 0.00 0.00 177.39 177.54 1b6r s PRO 272 N -2.20 1.10 -0.01 1.96 0.04 -1.26 -4.81 135.00 129.82 1b6r s PRO 272 Ca 0.40 0.19 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1b6r s PRO 272 Cb 0.25 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 1b6r s PRO 272 CO -0.09 -2.20 1.08 -1.14 0.04 0.00 0.00 177.00 174.68 1b6r s GLN 273 N -5.38 4.47 0.77 4.56 2.00 -1.26 -4.96 119.66 119.86 1b6r s GLN 273 Ca 0.65 1.55 -0.13 0.00 -2.00 0.00 0.00 55.36 55.42 1b6r s GLN 273 Cb -0.13 -3.46 0.06 0.00 0.80 0.00 0.00 33.01 30.28 1b6r s GLN 273 CO 0.53 -0.21 1.15 -2.14 -0.50 0.00 0.00 175.29 174.11 1b6r s PRO 274 N 1.39 2.02 -0.17 1.67 0.02 -1.26 -5.01 135.00 133.67 1b6r s PRO 274 Ca 0.54 1.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.03 1b6r s PRO 274 Cb -0.23 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 1b6r s PRO 274 CO 0.26 -1.87 -0.03 0.08 -0.33 0.00 0.00 177.00 175.10 1b6r s VAL 275 N -2.41 3.91 -0.19 3.83 1.01 -1.26 -4.92 120.40 120.36 1b6r s VAL 275 Ca 0.68 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1b6r s VAL 275 Cb -0.23 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1b6r s VAL 275 CO 0.50 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 175.23 1b6r s VAL 276 N 0.50 1.91 -0.17 2.92 1.01 -1.26 -1.33 120.40 123.98 1b6r s VAL 276 Ca -0.03 -1.02 0.18 0.00 0.00 0.00 0.00 61.98 61.11 1b6r s VAL 276 Cb -0.14 -1.83 -0.25 0.00 0.00 0.00 0.00 36.38 34.16 1b6r s VAL 276 CO 0.03 0.36 0.12 0.59 0.00 0.00 0.00 175.10 176.19 1b6r n ASN 277 N 4.63 0.25 -4.38 3.32 3.02 -1.26 -4.83 115.26 116.01 1b6r n ASN 277 Ca -0.18 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.18 1b6r n ASN 277 Cb 0.48 1.10 -0.10 0.00 -0.61 0.00 0.00 39.78 40.64 1b6r n ASN 277 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1b6r s ASN 278 N -5.25 1.98 0.57 6.41 0.01 -1.26 -4.85 114.94 112.55 1b6r s ASN 278 Ca -0.09 -1.31 -0.15 0.00 -0.71 0.00 0.00 52.86 50.60 1b6r s ASN 278 Cb 0.07 -0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.66 1b6r s ASN 278 CO 0.80 -0.58 1.02 -2.16 -1.51 0.00 0.00 177.10 174.67 1b6r s PRO 279 N -3.90 3.62 0.03 -0.60 0.04 -1.26 -4.18 135.00 128.76 1b6r s PRO 279 Ca 0.33 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 1b6r s PRO 279 Cb 0.07 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1b6r s PRO 279 CO 0.12 -0.55 0.02 -1.12 0.04 0.00 0.00 177.00 175.52 1b6r s SER 280 N -3.24 0.28 -0.06 6.66 0.01 -0.34 -3.70 113.70 113.31 1b6r s SER 280 Ca 0.59 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 57.23 1b6r s SER 280 Cb -0.12 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.30 1b6r s SER 280 CO 0.39 -0.45 -0.05 -0.69 0.41 0.00 0.00 173.24 172.85 1b6r s VAL 281 N -2.46 0.63 -0.10 3.43 1.01 0.11 -1.17 120.40 121.85 1b6r s VAL 281 Ca -0.06 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1b6r s VAL 281 Cb -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1b6r s VAL 281 CO -0.04 0.26 -0.11 -0.32 0.00 0.00 0.00 175.10 174.88 1b6r s MET 282 N 1.14 3.03 -0.17 2.72 1.75 -0.68 0.55 119.30 127.64 1b6r s MET 282 Ca -0.07 -0.65 0.01 0.00 -1.25 0.00 0.00 55.69 53.73 1b6r s MET 282 Cb -0.14 -2.58 0.03 0.00 2.84 0.00 0.00 34.83 34.98 1b6r s MET 282 CO -0.01 0.43 -0.13 0.42 -0.65 0.00 0.00 175.02 175.07 1b6r s ILE 283 N -0.20 1.62 0.17 10.11 1.01 0.13 -2.29 121.20 131.76 1b6r s ILE 283 Ca 0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 1b6r s ILE 283 Cb -0.13 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.68 1b6r s ILE 283 CO 0.03 0.36 0.98 0.20 0.00 0.00 0.00 174.94 176.52 1b6r s ASN 284 N 1.44 7.50 -0.44 3.58 -0.87 -0.78 -0.39 114.94 124.99 1b6r s ASN 284 Ca 0.03 1.92 -0.17 0.00 -1.57 0.00 0.00 52.86 53.07 1b6r s ASN 284 Cb -0.14 -2.60 0.04 0.00 -0.02 0.00 0.00 41.25 38.53 1b6r s ASN 284 CO -0.10 -0.02 0.43 -0.76 -2.57 0.00 0.00 177.10 174.08 1b6r s LEU 285 N -0.53 5.10 -0.21 0.60 1.43 0.10 -4.95 118.68 120.22 1b6r s LEU 285 Ca 0.45 -0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 1b6r s LEU 285 Cb -0.26 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1b6r s LEU 285 CO 0.32 -0.62 -0.09 -0.63 0.23 0.00 0.00 176.35 175.56 1b6r s ILE 286 N 2.01 2.97 -0.46 -0.59 1.01 -1.26 -0.04 121.20 124.84 1b6r s ILE 286 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1b6r s ILE 286 Cb -0.19 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1b6r s ILE 286 CO 0.11 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1b6r n GLY 287 N 4.74 -0.34 3.68 6.18 0.00 0.30 -4.75 105.19 115.00 1b6r n GLY 287 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1b6r n GLY 287 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b6r s SER 288 N -1.92 4.84 0.34 1.61 0.01 -1.26 -4.54 113.70 112.78 1b6r s SER 288 Ca 0.00 -0.42 -0.07 0.00 1.31 0.00 0.00 55.95 56.77 1b6r s SER 288 Cb 0.00 -1.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.13 1b6r s SER 288 CO 0.00 0.06 0.65 -1.81 0.41 0.00 0.00 173.24 172.54 1b6r s ASP 289 N -3.21 6.48 0.30 2.44 1.01 -1.26 -4.89 116.67 117.54 1b6r s ASP 289 Ca 0.29 0.90 -0.29 0.00 0.71 0.00 0.00 52.55 54.15 1b6r s ASP 289 Cb -0.09 -2.22 -0.10 0.00 1.01 0.00 0.00 42.92 41.52 1b6r s ASP 289 CO 0.20 -0.29 1.41 -0.69 0.21 0.00 0.00 175.17 176.00 1b6r s VAL 290 N -2.22 2.55 -0.35 -1.27 1.01 -1.26 -4.99 120.40 113.87 1b6r s VAL 290 Ca 0.47 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1b6r s VAL 290 Cb -0.10 -3.32 0.11 0.00 0.00 0.00 0.00 36.38 33.07 1b6r s VAL 290 CO 0.31 0.10 0.15 0.21 0.00 0.00 0.00 175.10 175.87 1b6r s ASN 291 N -0.04 3.83 0.00 3.32 3.84 -1.26 -4.95 114.94 119.68 1b6r s ASN 291 Ca 0.54 -1.99 0.00 0.00 0.21 0.00 0.00 52.86 51.63 1b6r s ASN 291 Cb -0.42 -0.88 0.00 0.00 -0.55 0.00 0.00 41.25 39.40 1b6r s ASN 291 CO 0.51 -0.36 0.73 -1.22 -2.79 0.00 0.00 177.10 173.96 1b6r n TYR 292 N 4.38 0.00 0.19 0.43 4.01 -1.26 -0.05 117.16 124.86 1b6r n TYR 292 Ca 0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 1b6r n TYR 292 Cb 0.39 -0.27 0.37 0.00 -0.31 0.00 0.00 39.34 39.53 1b6r n TYR 292 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1b6r h ASP 293 N 0.00 0.00 -0.39 7.72 5.19 -1.97 -2.58 116.42 124.39 1b6r h ASP 293 Ca 0.00 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.52 1b6r h ASP 293 Cb 0.21 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 1b6r h ASP 293 CO 0.00 0.37 0.30 -0.50 -3.12 0.00 0.00 179.24 176.30 1b6r h TRP 294 N 0.00 0.00 0.00 4.55 6.55 -0.83 -1.72 115.95 124.50 1b6r h TRP 294 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1b6r h TRP 294 Cb 0.74 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.04 1b6r h TRP 294 CO 0.00 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 178.67 1b6r n LEU 295 N -4.26 0.00 0.01 -4.49 4.32 -0.97 -2.91 117.00 108.69 1b6r n LEU 295 Ca 0.06 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.19 1b6r n LEU 295 Cb 0.49 0.00 0.51 0.00 -1.62 0.00 0.00 43.42 42.80 1b6r n LEU 295 CO 0.34 0.00 0.82 2.29 -1.22 0.00 0.00 177.39 179.63 1b6r n LYS 296 N -0.78 0.02 -3.35 3.23 2.85 -0.65 -4.49 118.16 114.99 1b6r n LYS 296 Ca 0.11 0.01 -0.43 0.00 -1.05 0.00 0.00 58.31 56.95 1b6r n LYS 296 Cb 0.05 -1.52 -0.09 0.00 -0.65 0.00 0.00 35.03 32.82 1b6r n LYS 296 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1b6r s LEU 297 N -3.10 4.92 0.60 -5.58 1.43 -1.14 -4.97 118.68 110.84 1b6r s LEU 297 Ca 0.13 -0.73 0.40 0.00 -1.03 0.00 0.00 54.13 52.90 1b6r s LEU 297 Cb 0.18 -2.33 2.04 0.00 0.03 0.00 0.00 46.19 46.11 1b6r s LEU 297 CO 0.58 -0.55 2.21 1.55 0.23 0.00 0.00 176.35 180.37 1b6r h PRO 298 N 8.71 0.00 0.00 1.29 0.13 -1.88 -2.51 132.00 137.74 1b6r h PRO 298 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1b6r h PRO 298 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1b6r h PRO 298 CO 0.78 0.00 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.43 1b6r h LEU 299 N 0.00 0.00 -9.52 1.56 3.38 -1.93 -3.46 115.31 105.34 1b6r h LEU 299 Ca 0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1b6r h LEU 299 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1b6r h LEU 299 CO 0.00 0.00 0.46 -0.69 0.09 0.00 0.00 178.44 178.30 1b6r s VAL 300 N -3.18 4.27 -0.24 1.22 1.01 -0.95 -4.30 120.40 118.23 1b6r s VAL 300 Ca 0.08 1.74 0.02 0.00 0.00 0.00 0.00 61.98 63.81 1b6r s VAL 300 Cb 0.08 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.39 1b6r s VAL 300 CO 0.65 0.20 -0.12 -1.00 0.00 0.00 0.00 175.10 174.83 1b6r s HIS 301 N 0.55 3.12 -0.12 5.22 3.76 -0.36 -4.94 115.29 122.51 1b6r s HIS 301 Ca 0.53 -2.03 -0.19 0.00 -0.15 0.00 0.00 55.06 53.22 1b6r s HIS 301 Cb -0.26 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 1b6r s HIS 301 CO 0.31 -0.84 0.50 -1.17 -0.85 0.00 0.00 174.74 172.68 1b6r s LEU 302 N 1.19 4.27 -0.43 0.89 2.96 -1.26 -1.04 118.68 125.25 1b6r s LEU 302 Ca -0.04 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1b6r s LEU 302 Cb -0.18 -2.72 0.12 0.00 0.50 0.00 0.00 46.19 43.91 1b6r s LEU 302 CO -0.07 -0.02 0.17 -1.00 -1.32 0.00 0.00 176.35 174.11 1b6r s HIS 303 N 0.74 3.53 -0.21 5.38 3.76 0.63 -5.01 115.29 124.11 1b6r s HIS 303 Ca 0.27 -2.94 -0.12 0.00 -0.15 0.00 0.00 55.06 52.11 1b6r s HIS 303 Cb -0.15 -2.97 -0.05 0.00 1.11 0.00 0.00 32.58 30.52 1b6r s HIS 303 CO 0.11 -0.88 0.22 -0.46 -0.85 0.00 0.00 174.74 172.87 1b6r s TRP 304 N 0.48 3.38 -1.31 1.40 -0.11 -1.26 -0.70 118.94 120.82 1b6r s TRP 304 Ca 0.13 0.39 0.29 0.00 1.22 0.00 0.00 56.10 58.12 1b6r s TRP 304 Cb -0.22 -2.30 1.18 0.00 -1.50 0.00 0.00 33.47 30.63 1b6r s TRP 304 CO -0.05 0.14 1.85 0.66 -4.62 0.00 0.00 176.95 174.94 1b6r n TYR 305 N 3.99 0.00 -3.23 5.86 4.01 -0.19 -4.93 117.16 122.66 1b6r n TYR 305 Ca -0.14 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.40 1b6r n TYR 305 Cb 0.52 -0.31 0.05 0.00 -0.31 0.00 0.00 39.34 39.29 1b6r n TYR 305 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1b6r n ASP 306 N -1.27 -5.67 -4.75 7.72 2.03 -1.26 -4.95 116.55 108.41 1b6r n ASP 306 Ca 0.11 -0.38 -0.30 0.00 0.52 0.00 0.00 54.79 54.74 1b6r n ASP 306 Cb 0.30 -4.37 -0.07 0.00 -0.72 0.00 0.00 41.12 36.26 1b6r n ASP 306 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1b6r s LYS 307 N -5.89 2.77 0.15 -0.67 1.02 -1.26 -5.06 119.74 110.79 1b6r s LYS 307 Ca 0.41 -0.74 -0.31 0.00 0.02 0.00 0.00 55.97 55.35 1b6r s LYS 307 Cb -0.18 -2.67 -0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1b6r s LYS 307 CO 0.51 0.56 1.77 -2.00 -0.92 0.00 0.00 175.35 175.26 1b6r s GLU 308 N -2.36 4.14 0.30 1.68 2.12 -1.26 -4.88 118.70 118.44 1b6r s GLU 308 Ca 0.28 2.56 -0.29 0.00 0.36 0.00 0.00 54.97 57.88 1b6r s GLU 308 Cb -0.12 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 1b6r s GLU 308 CO 0.21 -0.79 1.36 0.08 -0.54 0.00 0.00 175.26 175.58 1b6r s VAL 309 N 2.17 2.67 -0.06 3.70 1.01 -1.26 -5.01 120.40 123.63 1b6r s VAL 309 Ca 0.78 0.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 1b6r s VAL 309 Cb -0.46 -3.41 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1b6r s VAL 309 CO 0.34 0.13 0.64 -0.13 0.00 0.00 0.00 175.10 176.09 1b6r s ARG 310 N -1.31 0.99 0.30 2.72 0.52 -1.26 -5.09 118.95 115.82 1b6r s ARG 310 Ca 0.53 0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 55.71 1b6r s ARG 310 Cb -0.41 0.47 -0.11 0.00 0.52 0.00 0.00 34.95 35.42 1b6r s ARG 310 CO 0.50 -0.29 1.48 -2.14 0.02 0.00 0.00 175.30 174.86 1b6r s PRO 311 N -1.08 4.20 0.00 3.54 0.02 -1.26 -1.26 135.00 139.16 1b6r s PRO 311 Ca -0.10 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.35 1b6r s PRO 311 Cb -0.01 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1b6r s PRO 311 CO 0.09 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1b6r n GLY 312 N 1.57 1.00 3.75 0.52 0.00 -1.26 -4.88 105.19 105.89 1b6r n GLY 312 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1b6r n GLY 312 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b6r s ARG 313 N -0.20 4.19 -0.30 1.61 3.52 -0.39 -4.74 118.95 122.64 1b6r s ARG 313 Ca 0.00 0.18 -0.29 0.00 -0.13 0.00 0.00 55.73 55.49 1b6r s ARG 313 Cb 0.00 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1b6r s ARG 313 CO 0.00 0.30 1.30 0.15 -0.81 0.00 0.00 175.30 176.24 1b6r s LYS 314 N 0.25 3.91 -0.01 5.12 1.02 -1.26 0.11 119.74 128.88 1b6r s LYS 314 Ca 0.19 1.24 0.13 0.00 0.02 0.00 0.00 55.97 57.54 1b6r s LYS 314 Cb -0.14 -3.88 -0.17 0.00 -0.52 0.00 0.00 37.83 33.12 1b6r s LYS 314 CO 0.06 -1.12 0.42 1.33 -0.92 0.00 0.00 175.35 175.12 1b6r n VAL 315 N 6.22 0.00 -1.99 3.17 0.24 0.94 -4.95 118.33 121.96 1b6r n VAL 315 Ca 0.15 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1b6r n VAL 315 Cb 0.47 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1b6r n VAL 315 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b6r n GLY 316 N 1.52 -1.35 3.37 7.63 0.00 -1.16 -1.02 105.19 114.19 1b6r n GLY 316 Ca 0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1b6r n GLY 316 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1b6r s HIS 317 N -2.62 -0.25 -0.09 1.61 -3.43 0.13 0.01 115.29 110.65 1b6r s HIS 317 Ca 0.00 -0.06 0.04 0.00 -0.80 0.00 0.00 55.06 54.25 1b6r s HIS 317 Cb 0.00 0.33 -0.00 0.00 -1.43 0.00 0.00 32.58 31.48 1b6r s HIS 317 CO 0.00 -0.77 -0.24 -0.51 -2.00 0.00 0.00 174.74 171.23 1b6r s LEU 318 N -2.81 2.12 -0.09 5.38 1.02 0.48 -0.27 118.68 124.51 1b6r s LEU 318 Ca 0.04 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.67 1b6r s LEU 318 Cb 0.01 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 1b6r s LEU 318 CO -0.11 0.18 -0.14 0.20 0.02 0.00 0.00 176.35 176.51 1b6r s ASN 319 N 0.21 3.98 -0.03 2.29 0.01 -0.21 0.20 114.94 121.40 1b6r s ASN 319 Ca -0.15 -0.27 0.04 0.00 -0.71 0.00 0.00 52.86 51.77 1b6r s ASN 319 Cb -0.17 -1.24 -0.00 0.00 0.41 0.00 0.00 41.25 40.25 1b6r s ASN 319 CO 0.08 0.25 -0.14 -0.76 -1.51 0.00 0.00 177.10 175.01 1b6r s LEU 320 N -0.16 1.93 -0.12 0.60 1.02 0.19 -1.22 118.68 120.91 1b6r s LEU 320 Ca -0.01 -0.28 -0.20 0.00 0.02 0.00 0.00 54.13 53.67 1b6r s LEU 320 Cb -0.13 -0.78 0.05 0.00 0.02 0.00 0.00 46.19 45.34 1b6r s LEU 320 CO 0.03 0.14 0.50 0.28 0.02 0.00 0.00 176.35 177.33 1b6r s THR 321 N -0.07 0.01 -0.13 5.49 -1.32 -1.26 0.04 115.64 118.40 1b6r s THR 321 Ca 0.00 -0.12 -0.32 0.00 -1.21 0.00 0.00 61.69 60.05 1b6r s THR 321 Cb -0.08 -0.75 0.13 0.00 -1.51 0.00 0.00 72.50 70.28 1b6r s THR 321 CO 0.01 -0.06 1.07 -0.62 -2.21 0.00 0.00 174.62 172.80 1b6r s ASP 322 N -0.42 -0.25 0.28 8.08 2.15 -1.24 -4.97 116.67 120.29 1b6r s ASP 322 Ca -0.06 0.08 0.19 0.00 0.43 0.00 0.00 52.55 53.20 1b6r s ASP 322 Cb -0.03 0.25 0.10 0.00 -0.30 0.00 0.00 42.92 42.94 1b6r s ASP 322 CO 0.03 -0.38 1.31 0.77 -0.17 0.00 0.00 175.17 176.74 1b6r h SER 323 N 2.11 0.00 -3.13 -0.34 4.64 -1.96 -3.39 113.55 111.49 1b6r h SER 323 Ca -0.15 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.48 1b6r h SER 323 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 1b6r h SER 323 CO 0.27 0.26 0.10 -0.62 -0.87 0.00 0.00 176.83 175.97 1b6r s ASP 324 N -6.04 6.21 0.50 4.97 2.15 -1.26 -4.90 116.67 118.30 1b6r s ASP 324 Ca 0.03 -1.05 0.17 0.00 0.43 0.00 0.00 52.55 52.13 1b6r s ASP 324 Cb 0.07 -2.30 1.22 0.00 -0.30 0.00 0.00 42.92 41.61 1b6r s ASP 324 CO 0.74 -0.99 2.09 0.71 -0.17 0.00 0.00 175.17 177.55 1b6r h THR 325 N 5.89 0.98 -0.08 1.71 1.35 -1.98 0.77 112.91 121.55 1b6r h THR 325 Ca -0.28 -0.31 -0.03 0.00 -0.55 0.00 0.00 66.41 65.24 1b6r h THR 325 Cb 1.09 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1b6r h THR 325 CO 1.02 0.09 -0.06 0.28 -0.25 0.00 0.00 175.52 176.59 1b6r h SER 326 N 0.00 0.20 -0.78 5.36 0.02 -1.98 0.46 113.55 116.83 1b6r h SER 326 Ca -0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1b6r h SER 326 Cb 0.16 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1b6r h SER 326 CO 0.01 0.61 0.49 -0.09 -1.14 0.00 0.00 176.83 176.72 1b6r h ARG 327 N -0.21 1.05 0.05 3.45 2.43 -1.87 0.34 114.38 119.62 1b6r h ARG 327 Ca 0.02 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1b6r h ARG 327 Cb 0.55 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1b6r h ARG 327 CO 0.02 0.72 -0.03 1.25 -1.51 0.00 0.00 179.97 180.42 1b6r h LEU 328 N 1.07 -0.06 -0.70 3.80 5.85 -0.62 -1.69 115.31 122.96 1b6r h LEU 328 Ca 0.28 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1b6r h LEU 328 Cb -0.08 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1b6r h LEU 328 CO -0.06 0.16 -0.02 0.71 -0.34 0.00 0.00 178.44 178.89 1b6r h THR 329 N -0.29 1.26 -0.55 1.05 1.35 0.52 -2.51 112.91 113.74 1b6r h THR 329 Ca -0.01 -1.14 0.06 0.00 -0.55 0.00 0.00 66.41 64.77 1b6r h THR 329 Cb 0.25 0.86 -0.05 0.00 -1.73 0.00 0.00 68.15 67.48 1b6r h THR 329 CO 0.01 0.41 0.26 0.00 -0.25 0.00 0.00 175.52 175.95 1b6r h ALA 330 N 1.07 0.72 -0.87 6.62 0.00 -0.28 -1.56 119.26 124.95 1b6r h ALA 330 Ca 0.16 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1b6r h ALA 330 Cb 0.56 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1b6r h ALA 330 CO 0.03 -0.11 0.57 1.15 0.00 0.00 0.00 179.25 180.89 1b6r h THR 331 N 0.49 1.12 -0.33 0.00 2.02 -1.04 -0.88 112.91 114.29 1b6r h THR 331 Ca 0.26 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 1b6r h THR 331 Cb 0.22 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1b6r h THR 331 CO -0.21 0.19 0.07 -0.07 0.37 0.00 0.00 175.52 175.88 1b6r h LEU 332 N 1.05 0.51 -0.13 2.58 3.38 -0.90 -1.76 115.31 120.03 1b6r h LEU 332 Ca 0.35 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1b6r h LEU 332 Cb 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1b6r h LEU 332 CO -0.11 0.62 -0.07 -0.08 0.09 0.00 0.00 178.44 178.89 1b6r h GLU 333 N 0.37 -0.06 -0.43 1.13 4.81 -0.53 -1.37 114.58 118.50 1b6r h GLU 333 Ca 0.10 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.46 1b6r h GLU 333 Cb 0.32 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1b6r h GLU 333 CO 0.00 -0.04 0.32 0.00 -0.73 0.00 0.00 179.01 178.57 1b6r h ALA 334 N 1.06 2.37 0.00 2.92 0.00 -1.04 -0.13 119.26 124.44 1b6r h ALA 334 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1b6r h ALA 334 Cb 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1b6r h ALA 334 CO -0.17 -0.54 -0.33 -0.07 0.00 0.00 0.00 179.25 178.14 1b6r h LEU 335 N 0.00 0.00 -0.53 0.00 3.38 -0.33 -3.37 115.31 114.45 1b6r h LEU 335 Ca 0.20 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1b6r h LEU 335 Cb 0.84 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.49 1b6r h LEU 335 CO -0.00 0.33 -0.36 0.40 0.09 0.00 0.00 178.44 178.89 1b6r h ILE 336 N 0.00 0.16 0.00 1.22 2.04 -0.73 -1.61 117.51 118.59 1b6r h ILE 336 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1b6r h ILE 336 Cb 1.15 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1b6r h ILE 336 CO 0.04 0.00 -0.28 1.55 0.00 0.00 0.00 178.15 179.46 1b6r h PRO 337 N -0.21 0.00 -0.00 2.37 0.13 -1.75 -2.26 132.00 130.28 1b6r h PRO 337 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1b6r h PRO 337 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1b6r h PRO 337 CO -0.64 0.28 -0.02 1.28 -0.23 0.00 0.00 178.00 178.67 1b6r n LEU 338 N -3.78 0.18 -4.39 1.56 4.77 -0.64 -4.82 117.00 109.87 1b6r n LEU 338 Ca -0.01 0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.74 1b6r n LEU 338 Cb 0.38 -0.12 -0.13 0.00 -2.33 0.00 0.00 43.42 41.22 1b6r n LEU 338 CO 0.35 0.03 -0.56 -0.76 -1.33 0.00 0.00 177.39 175.13 1b6r s LEU 339 N -2.26 2.35 0.69 2.23 1.43 -0.85 -4.94 118.68 117.33 1b6r s LEU 339 Ca 0.38 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.53 1b6r s LEU 339 Cb 0.21 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 45.25 1b6r s LEU 339 CO 0.42 0.16 1.27 -2.84 0.23 0.00 0.00 176.35 175.59 1b6r s PRO 340 N -2.21 2.30 0.42 1.29 0.02 -1.26 -4.86 135.00 130.71 1b6r s PRO 340 Ca 0.15 1.99 0.20 0.00 0.02 0.00 0.00 61.00 63.37 1b6r s PRO 340 Cb -0.09 -1.82 1.15 0.00 0.02 0.00 0.00 34.50 33.75 1b6r s PRO 340 CO 0.07 -1.77 1.81 -1.00 -0.33 0.00 0.00 177.00 175.78 1b6r h PRO 341 N 0.15 0.34 0.00 5.54 0.14 -1.96 0.08 132.00 136.29 1b6r h PRO 341 Ca -0.50 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.62 1b6r h PRO 341 Cb 1.33 -0.08 0.00 0.00 0.14 0.00 0.00 31.00 32.39 1b6r h PRO 341 CO 0.51 0.23 0.00 1.05 0.14 0.00 0.00 178.00 179.93 1b6r h GLU 342 N 0.35 0.00 0.00 0.86 4.11 -1.98 -1.09 114.58 116.83 1b6r h GLU 342 Ca 0.53 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.92 1b6r h GLU 342 Cb 1.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1b6r h GLU 342 CO -0.21 0.00 -0.45 1.88 0.07 0.00 0.00 179.01 180.30 1b6r h TYR 343 N 0.00 0.00 -0.41 2.06 -1.99 -1.30 -3.38 116.97 111.95 1b6r h TYR 343 Ca 0.00 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.82 1b6r h TYR 343 Cb 0.05 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.69 1b6r h TYR 343 CO 0.00 0.18 -0.20 0.00 -0.00 0.00 0.00 178.16 178.14 1b6r h ALA 344 N 1.82 0.10 -0.36 3.88 0.00 -1.29 -2.35 119.26 121.06 1b6r h ALA 344 Ca -0.02 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1b6r h ALA 344 Cb 1.15 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 19.35 1b6r h ALA 344 CO 0.02 -0.56 -0.17 0.77 0.00 0.00 0.00 179.25 179.31 1b6r h SER 345 N -0.12 -0.58 -0.50 0.00 0.02 -1.75 -1.16 113.55 109.44 1b6r h SER 345 Ca 0.20 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.33 1b6r h SER 345 Cb 0.43 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1b6r h SER 345 CO -0.49 -0.21 0.25 1.23 -1.14 0.00 0.00 176.83 176.47 1b6r h GLY 346 N -0.11 0.70 0.99 -3.77 0.00 -1.72 -1.07 103.07 98.09 1b6r h GLY 346 Ca 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1b6r h GLY 346 CO -0.43 0.10 0.32 -2.08 0.00 0.00 0.00 176.54 174.45 1b6r h VAL 347 N 0.49 1.19 -0.44 4.60 2.07 -0.90 0.32 116.25 123.59 1b6r h VAL 347 Ca 0.22 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 1b6r h VAL 347 Cb 0.14 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1b6r h VAL 347 CO -0.16 0.21 -0.10 0.40 0.02 0.00 0.00 177.57 177.94 1b6r h ILE 348 N 0.79 1.26 0.22 4.57 5.03 -0.98 0.16 117.51 128.56 1b6r h ILE 348 Ca 0.21 -1.15 -0.00 0.00 -0.12 0.00 0.00 64.86 63.79 1b6r h ILE 348 Cb 0.05 1.03 -0.01 0.00 -3.03 0.00 0.00 36.82 34.86 1b6r h ILE 348 CO -0.03 0.39 -0.18 -0.25 -0.68 0.00 0.00 178.15 177.40 1b6r h TRP 349 N 0.71 -0.47 -0.35 1.37 7.01 -0.66 0.95 115.95 124.52 1b6r h TRP 349 Ca 0.12 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.17 1b6r h TRP 349 Cb 0.58 0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 1b6r h TRP 349 CO 0.03 -0.27 0.10 0.00 -2.79 0.00 0.00 178.44 175.51 1b6r h ALA 350 N 0.33 0.39 -0.70 2.65 0.00 -0.64 -1.07 119.26 120.23 1b6r h ALA 350 Ca -0.01 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1b6r h ALA 350 Cb 0.37 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1b6r h ALA 350 CO -0.02 -0.30 0.37 0.37 0.00 0.00 0.00 179.25 179.67 1b6r h GLN 351 N 0.24 0.63 0.00 0.00 4.15 -0.27 -0.31 115.11 119.55 1b6r h GLN 351 Ca 0.16 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1b6r h GLN 351 Cb 0.15 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1b6r h GLN 351 CO -0.18 0.42 0.29 0.66 -1.93 0.00 0.00 178.83 178.09 1b6r h SER 352 N 0.65 0.00 1.41 -0.69 4.64 0.23 -1.23 113.55 118.56 1b6r h SER 352 Ca 0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 1b6r h SER 352 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1b6r h SER 352 CO -0.23 0.00 -0.61 0.11 -0.87 0.00 0.00 176.83 175.23 1b6r h LYS 353 N 0.00 0.00 0.00 4.77 1.79 -0.90 -3.32 116.57 118.90 1b6r h LYS 353 Ca 0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1b6r h LYS 353 Cb 0.59 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.20 1b6r h LYS 353 CO 0.00 0.21 -1.57 1.19 -1.08 0.00 0.00 179.45 178.20 1b6r n PHE 354 N -3.02 0.92 0.00 -1.35 3.72 -0.47 -5.16 117.46 112.11 1b6r n PHE 354 Ca 0.00 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1b6r n PHE 354 Cb 0.65 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 1b6r n PHE 354 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12