#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fls s ARG 5 N 0.00 3.99 1.22 3.44 3.52 -1.26 -5.06 118.95 124.80 3fls s ARG 5 Ca 0.00 0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 55.96 3fls s ARG 5 Cb 0.00 -3.71 0.30 0.00 -1.56 0.00 0.00 34.95 29.98 3fls s ARG 5 CO 0.00 -0.58 1.02 -1.25 -0.81 0.00 0.00 175.30 173.68 3fls s PRO 6 N 2.75 -1.33 0.14 5.12 0.04 -1.26 -5.00 135.00 135.46 3fls s PRO 6 Ca 0.29 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 61.55 3fls s PRO 6 Cb -0.15 -1.53 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 3fls s PRO 6 CO 0.11 -3.91 0.91 0.99 0.04 0.00 0.00 177.00 175.14 3fls s THR 7 N -2.54 4.41 -0.15 1.26 2.01 -1.26 -4.96 115.64 114.41 3fls s THR 7 Ca 0.68 1.98 -0.03 0.00 0.31 0.00 0.00 61.69 64.64 3fls s THR 7 Cb -0.20 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.00 3fls s THR 7 CO 0.61 0.39 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.52 3fls s PHE 8 N -0.41 2.99 0.23 4.92 0.40 -1.26 -1.04 117.98 123.81 3fls s PHE 8 Ca 0.43 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.52 3fls s PHE 8 Cb -0.24 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 3fls s PHE 8 CO 0.29 -0.04 0.07 1.52 0.70 0.00 0.00 175.22 177.77 3fls s TYR 9 N 0.29 2.90 0.30 0.36 -0.85 -0.78 -4.93 117.35 114.63 3fls s TYR 9 Ca -0.04 -0.15 0.08 0.00 -0.52 0.00 0.00 57.07 56.44 3fls s TYR 9 Cb -0.14 -1.33 -0.03 0.00 0.38 0.00 0.00 41.96 40.83 3fls s TYR 9 CO 0.03 0.56 0.21 1.03 -1.52 0.00 0.00 175.55 175.85 3fls s ARG 10 N -3.50 2.72 -0.30 -3.49 0.52 -1.26 -2.50 118.95 111.14 3fls s ARG 10 Ca 0.31 -1.24 -0.16 0.00 -0.52 0.00 0.00 55.73 54.11 3fls s ARG 10 Cb -0.08 -2.44 0.19 0.00 0.52 0.00 0.00 34.95 33.14 3fls s ARG 10 CO 0.21 0.24 1.16 -1.14 0.02 0.00 0.00 175.30 175.80 3fls s GLN 11 N -3.88 0.16 -0.10 3.54 0.74 -1.08 -4.96 119.66 114.09 3fls s GLN 11 Ca 0.36 0.30 -0.24 0.00 0.05 0.00 0.00 55.36 55.84 3fls s GLN 11 Cb -0.06 0.06 -0.03 0.00 1.10 0.00 0.00 33.01 34.08 3fls s GLN 11 CO 0.25 -0.04 0.73 -2.00 -0.55 0.00 0.00 175.29 173.68 3fls s GLU 12 N 1.32 4.39 0.00 1.67 2.12 -1.26 0.52 118.70 127.46 3fls s GLU 12 Ca -0.07 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.16 3fls s GLU 12 Cb -0.03 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.87 3fls s GLU 12 CO -0.12 -0.06 0.00 1.28 -0.54 0.00 0.00 175.26 175.82 3fls n LEU 13 N 4.24 0.00 -3.42 2.70 4.77 -0.97 -4.93 117.00 119.40 3fls n LEU 13 Ca 0.00 0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.61 3fls n LEU 13 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3fls n LEU 13 CO 0.47 -0.50 1.20 0.59 -1.33 0.00 0.00 177.39 177.82 3fls n ASN 14 N -2.51 6.83 -0.18 -1.43 4.13 -1.26 -4.80 115.26 116.03 3fls n ASN 14 Ca 0.00 -3.71 -0.02 0.00 1.68 0.00 0.00 54.58 52.53 3fls n ASN 14 Cb 0.00 -1.04 -0.01 0.00 -1.54 0.00 0.00 39.78 37.19 3fls n ASN 14 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3fls n LYS 15 N -0.15 -1.92 -4.24 3.52 5.02 -1.26 -4.93 118.16 114.20 3fls n LYS 15 Ca 0.45 0.46 -0.17 0.00 -2.02 0.00 0.00 58.31 57.02 3fls n LYS 15 Cb 0.29 -4.53 -0.11 0.00 -0.02 0.00 0.00 35.03 30.66 3fls n LYS 15 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3fls s THR 16 N -0.97 1.28 -0.28 -0.18 -4.23 -1.26 -5.13 115.64 104.86 3fls s THR 16 Ca 0.00 -1.74 -0.21 0.00 -1.18 0.00 0.00 61.69 58.56 3fls s THR 16 Cb 0.00 -1.54 -0.01 0.00 1.34 0.00 0.00 72.50 72.29 3fls s THR 16 CO 0.00 -0.46 0.69 -0.63 -0.54 0.00 0.00 174.62 173.67 3fls s ILE 17 N -2.28 4.91 -0.38 2.99 1.01 -1.26 -2.29 121.20 123.90 3fls s ILE 17 Ca 0.09 1.08 -0.22 0.00 0.00 0.00 0.00 60.65 61.60 3fls s ILE 17 Cb -0.04 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.41 3fls s ILE 17 CO 0.03 -0.11 0.72 0.26 0.00 0.00 0.00 174.94 175.83 3fls s TRP 18 N 2.68 3.10 -0.50 3.97 0.52 0.18 -4.84 118.94 124.06 3fls s TRP 18 Ca 0.28 0.36 -0.15 0.00 0.02 0.00 0.00 56.10 56.61 3fls s TRP 18 Cb -0.15 -3.35 0.10 0.00 -1.15 0.00 0.00 33.47 28.92 3fls s TRP 18 CO 0.11 -0.75 0.42 -2.00 0.02 0.00 0.00 176.95 174.75 3fls s GLU 19 N 2.97 2.92 0.25 4.98 2.12 -1.26 -2.62 118.70 128.06 3fls s GLU 19 Ca 0.28 -1.54 0.11 0.00 0.36 0.00 0.00 54.97 54.18 3fls s GLU 19 Cb -0.14 -4.16 -0.05 0.00 0.26 0.00 0.00 34.13 30.05 3fls s GLU 19 CO 0.17 -1.16 -0.19 0.14 -0.54 0.00 0.00 175.26 173.68 3fls s VAL 20 N 1.59 2.29 0.76 3.70 -7.23 -1.04 -4.58 120.40 115.88 3fls s VAL 20 Ca 0.04 -2.31 -0.14 0.00 -1.81 0.00 0.00 61.98 57.76 3fls s VAL 20 Cb -0.27 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.52 3fls s VAL 20 CO 0.04 -0.41 1.17 -2.84 -0.31 0.00 0.00 175.10 172.76 3fls s PRO 21 N -3.43 1.99 0.46 4.82 0.02 -1.26 -1.87 135.00 135.72 3fls s PRO 21 Ca 0.27 1.63 0.13 0.00 0.02 0.00 0.00 61.00 63.05 3fls s PRO 21 Cb -0.04 -1.83 1.06 0.00 0.02 0.00 0.00 34.50 33.71 3fls s PRO 21 CO 0.12 -1.92 2.05 0.93 -0.33 0.00 0.00 177.00 177.85 3fls h GLU 22 N -0.66 0.32 -0.63 5.54 5.08 -1.45 -2.80 114.58 119.97 3fls h GLU 22 Ca -0.46 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.06 3fls h GLU 22 Cb 1.28 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 3fls h GLU 22 CO 0.49 0.21 0.45 0.07 -1.00 0.00 0.00 179.01 179.23 3fls h ARG 23 N 0.33 0.02 -5.51 2.33 0.11 -1.91 -3.38 114.38 106.36 3fls h ARG 23 Ca 0.17 -0.00 -0.62 0.00 0.10 0.00 0.00 59.98 59.62 3fls h ARG 23 Cb 0.25 -0.00 -0.13 0.00 1.11 0.00 0.00 29.97 31.20 3fls h ARG 23 CO -0.04 0.01 0.16 0.71 0.10 0.00 0.00 179.97 180.92 3fls s TYR 24 N -5.03 3.19 0.37 4.08 1.51 -1.06 -1.85 117.35 118.56 3fls s TYR 24 Ca -0.05 0.51 0.07 0.00 -1.01 0.00 0.00 57.07 56.59 3fls s TYR 24 Cb 0.20 -3.06 -0.07 0.00 -0.11 0.00 0.00 41.96 38.92 3fls s TYR 24 CO 0.74 -0.54 -0.01 -0.65 -1.11 0.00 0.00 175.55 173.98 3fls s GLN 25 N 2.67 1.83 -1.34 -0.62 -1.52 -0.43 -4.85 119.66 115.41 3fls s GLN 25 Ca 0.25 -2.00 -0.02 0.00 -1.95 0.00 0.00 55.36 51.64 3fls s GLN 25 Cb -0.15 -1.47 0.01 0.00 -0.22 0.00 0.00 33.01 31.19 3fls s GLN 25 CO 0.13 -0.02 0.74 0.09 -0.25 0.00 0.00 175.29 175.98 3fls n ASN 26 N -0.84 -1.71 -4.66 5.90 3.02 -1.26 0.01 115.26 115.72 3fls n ASN 26 Ca -0.05 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 3fls n ASN 26 Cb 0.66 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 3fls n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fls s LEU 27 N -6.77 4.29 -0.07 3.41 1.02 -1.25 -4.34 118.68 114.97 3fls s LEU 27 Ca 0.10 2.10 0.01 0.00 0.02 0.00 0.00 54.13 56.35 3fls s LEU 27 Cb -0.05 -3.54 0.02 0.00 0.02 0.00 0.00 46.19 42.64 3fls s LEU 27 CO 0.81 -0.86 -0.06 -0.55 0.02 0.00 0.00 176.35 175.71 3fls s SER 28 N 2.79 1.50 0.46 2.29 0.15 0.28 -4.96 113.70 116.20 3fls s SER 28 Ca 0.68 -0.20 -0.24 0.00 0.70 0.00 0.00 55.95 56.88 3fls s SER 28 Cb -0.30 -0.62 -0.08 0.00 -1.71 0.00 0.00 66.02 63.30 3fls s SER 28 CO 0.26 -0.06 1.27 -2.65 1.20 0.00 0.00 173.24 173.25 3fls n PRO 29 N 4.32 1.82 0.00 5.44 -0.02 -1.26 0.19 135.00 145.49 3fls n PRO 29 Ca -0.19 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3fls n PRO 29 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3fls n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3fls n VAL 30 N -0.47 0.00 -0.01 -1.45 0.24 -0.63 -4.74 118.33 111.28 3fls n VAL 30 Ca 0.08 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3fls n VAL 30 Cb 0.41 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.74 3fls n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fls n GLY 31 N 0.58 0.68 3.59 7.63 0.00 -1.22 -5.03 105.19 111.41 3fls n GLY 31 Ca 0.00 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 3fls n GLY 31 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fls s SER 32 N -4.00 4.97 0.08 1.61 0.01 -1.26 -1.41 113.70 113.70 3fls s SER 32 Ca 0.00 0.00 -0.07 0.00 1.31 0.00 0.00 55.95 57.20 3fls s SER 32 Cb 0.00 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.61 3fls s SER 32 CO 0.00 0.28 0.34 -0.94 0.41 0.00 0.00 173.24 173.33 3fls s SER 37 N -0.30 6.53 -0.03 2.44 1.04 -1.13 -5.15 113.70 117.09 3fls s SER 37 Ca 0.06 0.62 0.05 0.00 0.48 0.00 0.00 55.95 57.16 3fls s SER 37 Cb -0.12 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 3fls s SER 37 CO 0.02 0.16 -0.19 -0.69 0.98 0.00 0.00 173.24 173.52 3fls s VAL 38 N -1.46 1.55 0.07 5.02 1.01 -0.50 -1.79 120.40 124.30 3fls s VAL 38 Ca 0.34 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.61 3fls s VAL 38 Cb -0.13 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 3fls s VAL 38 CO 0.20 0.44 -0.25 0.00 0.00 0.00 0.00 175.10 175.49 3fls s ALA 40 N -0.89 3.05 0.18 0.00 0.00 0.13 -1.13 121.76 123.10 3fls s ALA 40 Ca 0.13 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.38 3fls s ALA 40 Cb -0.10 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 19.87 3fls s ALA 40 CO 0.04 0.07 0.48 0.00 0.00 0.00 0.00 175.76 176.35 3fls s ALA 41 N -2.05 -0.87 -0.21 0.00 0.00 -0.60 -0.56 121.76 117.47 3fls s ALA 41 Ca 0.61 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 3fls s ALA 41 Cb -0.12 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3fls s ALA 41 CO 0.16 -0.76 0.00 0.12 0.00 0.00 0.00 175.76 175.28 3fls s PHE 42 N -3.87 3.03 -0.75 0.00 5.36 0.10 -0.98 117.98 120.87 3fls s PHE 42 Ca 0.09 -0.56 -0.20 0.00 -0.96 0.00 0.00 56.93 55.30 3fls s PHE 42 Cb -0.00 -2.11 0.11 0.00 -0.34 0.00 0.00 43.02 40.68 3fls s PHE 42 CO -0.04 -0.33 0.95 0.34 -1.46 0.00 0.00 175.22 174.68 3fls s ASP 43 N 1.21 6.38 0.63 6.13 2.15 0.04 -1.31 116.67 131.89 3fls s ASP 43 Ca 0.03 -1.59 0.38 0.00 0.43 0.00 0.00 52.55 51.80 3fls s ASP 43 Cb -0.15 -2.37 2.11 0.00 -0.30 0.00 0.00 42.92 42.22 3fls s ASP 43 CO 0.01 -1.17 2.30 0.71 -0.17 0.00 0.00 175.17 176.85 3fls h THR 44 N 5.84 0.22 0.00 1.71 1.35 -1.66 0.95 112.91 121.32 3fls h THR 44 Ca -0.10 -0.06 -0.15 0.00 -0.55 0.00 0.00 66.41 65.54 3fls h THR 44 Cb 1.06 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3fls h THR 44 CO 1.11 0.01 -0.73 0.50 -0.25 0.00 0.00 175.52 176.16 3fls h LYS 45 N 0.00 0.00 0.00 4.72 1.63 -1.89 -3.37 116.57 117.65 3fls h LYS 45 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3fls h LYS 45 Cb 0.05 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3fls h LYS 45 CO 0.00 0.73 -1.10 0.25 -3.45 0.00 0.00 179.45 175.87 3fls n THR 46 N -3.66 0.03 -0.63 1.00 -2.24 -0.62 -5.01 114.28 103.14 3fls n THR 46 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3fls n THR 46 Cb 0.71 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3fls n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fls n GLY 47 N 2.50 0.72 3.90 3.38 0.00 0.32 -5.06 105.19 110.95 3fls n GLY 47 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3fls n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fls s LEU 48 N 0.00 4.31 0.03 0.99 1.43 -1.18 -4.87 118.68 119.40 3fls s LEU 48 Ca 0.00 0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 3fls s LEU 48 Cb 0.00 -3.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.07 3fls s LEU 48 CO 0.00 0.12 0.80 -0.13 0.23 0.00 0.00 176.35 177.37 3fls s ARG 49 N -2.45 4.52 0.14 1.70 0.52 -1.26 -0.78 118.95 121.33 3fls s ARG 49 Ca 0.37 1.12 0.06 0.00 -0.52 0.00 0.00 55.73 56.76 3fls s ARG 49 Cb -0.13 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 3fls s ARG 49 CO 0.24 0.21 -0.15 0.14 0.02 0.00 0.00 175.30 175.76 3fls s VAL 50 N 0.17 1.45 -0.19 3.52 -7.23 -0.15 -2.33 120.40 115.65 3fls s VAL 50 Ca 0.41 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 3fls s VAL 50 Cb -0.20 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 3fls s VAL 50 CO 0.24 -0.42 -0.01 0.00 -0.31 0.00 0.00 175.10 174.60 3fls s ALA 51 N -2.21 3.04 -0.15 1.32 0.00 0.32 -1.57 121.76 122.51 3fls s ALA 51 Ca 0.11 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3fls s ALA 51 Cb -0.05 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.35 3fls s ALA 51 CO 0.04 -0.05 -0.18 0.08 0.00 0.00 0.00 175.76 175.65 3fls s VAL 52 N 0.82 2.40 -0.20 0.00 1.01 -0.28 -0.96 120.40 123.19 3fls s VAL 52 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3fls s VAL 52 Cb -0.14 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3fls s VAL 52 CO 0.02 0.53 -0.07 -0.75 0.00 0.00 0.00 175.10 174.83 3fls s LYS 53 N 0.88 3.35 -0.21 2.72 2.20 0.69 -1.30 119.74 128.08 3fls s LYS 53 Ca -0.05 -0.65 -0.11 0.00 -0.36 0.00 0.00 55.97 54.81 3fls s LYS 53 Cb -0.15 -2.92 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 3fls s LYS 53 CO -0.02 -0.14 0.16 0.21 -0.36 0.00 0.00 175.35 175.20 3fls s LYS 54 N 1.30 4.15 0.02 4.03 2.20 -0.74 -0.91 119.74 129.79 3fls s LYS 54 Ca 0.04 -0.20 -0.24 0.00 -0.36 0.00 0.00 55.97 55.20 3fls s LYS 54 Cb -0.14 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 3fls s LYS 54 CO -0.03 0.20 0.75 -0.51 -0.36 0.00 0.00 175.35 175.40 3fls s LEU 55 N 0.65 4.42 -0.31 5.43 1.43 -0.99 -2.86 118.68 126.45 3fls s LEU 55 Ca 0.09 1.38 -0.26 0.00 -1.03 0.00 0.00 54.13 54.31 3fls s LEU 55 Cb -0.12 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3fls s LEU 55 CO 0.01 -0.02 0.90 -0.94 0.23 0.00 0.00 176.35 176.53 3fls s SER 56 N 0.15 6.78 -0.61 2.29 1.04 -1.26 -4.39 113.70 117.70 3fls s SER 56 Ca 0.38 0.83 -0.21 0.00 0.48 0.00 0.00 55.95 57.44 3fls s SER 56 Cb -0.20 -2.46 0.03 0.00 0.10 0.00 0.00 66.02 63.49 3fls s SER 56 CO 0.22 -0.71 0.64 0.54 0.98 0.00 0.00 173.24 174.91 3fls n ARG 57 N 6.43 -1.79 0.21 4.02 5.12 -1.26 -4.88 116.66 124.51 3fls n ARG 57 Ca 0.07 1.22 0.08 0.00 -1.93 0.00 0.00 57.85 57.30 3fls n ARG 57 Cb 0.48 -2.55 0.38 0.00 -1.16 0.00 0.00 32.46 29.60 3fls n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3fls h PRO 58 N 1.11 0.00 -1.00 5.56 0.13 -1.84 -3.27 132.00 132.69 3fls h PRO 58 Ca -0.53 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.16 3fls h PRO 58 Cb 1.36 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.08 3fls h PRO 58 CO 0.28 0.29 -0.98 1.19 -0.23 0.00 0.00 178.00 178.55 3fls n PHE 59 N -3.42 2.12 0.03 1.56 3.01 -1.26 -1.26 117.46 118.24 3fls n PHE 59 Ca 0.00 -2.66 -0.08 0.00 1.01 0.00 0.00 57.45 55.72 3fls n PHE 59 Cb 0.48 -0.26 -0.13 0.00 -0.01 0.00 0.00 39.48 39.56 3fls n PHE 59 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 3fls h GLN 60 N 2.66 0.01 -4.65 -1.08 3.07 -1.92 -3.47 115.11 109.72 3fls h GLN 60 Ca 0.09 -0.01 -0.28 0.00 0.09 0.00 0.00 58.65 58.54 3fls h GLN 60 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 28.60 3fls h GLN 60 CO 0.59 0.80 -0.60 -1.54 0.09 0.00 0.00 178.83 178.17 3fls s SER 61 N -6.47 0.45 0.25 0.06 1.04 -1.26 -5.03 113.70 102.74 3fls s SER 61 Ca -0.02 -1.46 -0.03 0.00 0.48 0.00 0.00 55.95 54.92 3fls s SER 61 Cb 0.09 0.41 0.48 0.00 0.10 0.00 0.00 66.02 67.09 3fls s SER 61 CO 0.82 -0.88 1.74 0.40 0.98 0.00 0.00 173.24 176.30 3fls h ILE 62 N 2.53 0.67 -0.24 -1.02 2.04 -1.94 -0.82 117.51 118.73 3fls h ILE 62 Ca -0.34 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 3fls h ILE 62 Cb 1.25 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3fls h ILE 62 CO 0.50 0.09 -0.05 0.40 0.00 0.00 0.00 178.15 179.09 3fls h ILE 63 N 0.48 1.28 -0.28 -0.67 1.08 -1.96 -0.48 117.51 116.96 3fls h ILE 63 Ca 0.43 -1.05 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 3fls h ILE 63 Cb 0.64 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 3fls h ILE 63 CO -0.39 0.33 0.14 0.45 -0.69 0.00 0.00 178.15 177.98 3fls h HIS 64 N 0.21 0.40 -0.43 1.37 3.86 -1.77 -0.11 115.15 118.68 3fls h HIS 64 Ca 0.06 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3fls h HIS 64 Cb 0.51 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3fls h HIS 64 CO 0.05 0.36 0.28 0.00 0.86 0.00 0.00 177.93 179.48 3fls h ALA 65 N 1.00 0.54 -0.14 2.45 0.00 0.26 0.35 119.26 123.72 3fls h ALA 65 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fls h ALA 65 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fls h ALA 65 CO -0.01 -0.00 0.07 -0.22 0.00 0.00 0.00 179.25 179.09 3fls h LYS 66 N 0.58 0.19 -0.73 0.00 3.64 -0.99 -2.13 116.57 117.13 3fls h LYS 66 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3fls h LYS 66 Cb -0.07 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 3fls h LYS 66 CO -0.03 0.21 0.45 -0.09 -2.27 0.00 0.00 179.45 177.72 3fls h ARG 67 N 0.12 0.98 -0.30 1.90 2.43 -0.80 0.31 114.38 119.03 3fls h ARG 67 Ca 0.05 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3fls h ARG 67 Cb 0.07 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3fls h ARG 67 CO -0.01 0.68 0.18 1.15 -1.51 0.00 0.00 179.97 180.46 3fls h THR 68 N 1.00 1.11 -0.33 0.20 2.02 -0.80 0.33 112.91 116.45 3fls h THR 68 Ca 0.27 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3fls h THR 68 Cb -0.06 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3fls h THR 68 CO -0.05 0.11 -0.05 0.22 0.37 0.00 0.00 175.52 176.12 3fls h TYR 69 N 0.38 0.69 -0.08 3.16 3.20 -0.87 -1.79 116.97 121.65 3fls h TYR 69 Ca 0.11 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.88 3fls h TYR 69 Cb 0.03 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.07 3fls h TYR 69 CO -0.04 0.77 -0.32 -0.09 -1.64 0.00 0.00 178.16 176.85 3fls h ARG 70 N 0.40 -0.40 0.04 1.82 2.43 -0.29 0.44 114.38 118.82 3fls h ARG 70 Ca 0.09 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3fls h ARG 70 Cb 0.53 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3fls h ARG 70 CO 0.03 -0.27 -0.11 1.49 -1.51 0.00 0.00 179.97 179.60 3fls h GLU 71 N -0.42 -0.19 -0.45 0.20 4.81 -0.79 0.32 114.58 118.06 3fls h GLU 71 Ca 0.08 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.39 3fls h GLU 71 Cb 0.55 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 3fls h GLU 71 CO -0.32 -0.13 0.13 1.25 -0.73 0.00 0.00 179.01 179.21 3fls h LEU 72 N -0.20 0.09 -0.67 1.64 5.85 -1.27 -1.45 115.31 119.29 3fls h LEU 72 Ca 0.03 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3fls h LEU 72 Cb 0.23 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3fls h LEU 72 CO -0.08 0.08 0.42 0.03 -0.34 0.00 0.00 178.44 178.55 3fls h ARG 73 N 0.28 0.80 -0.10 1.25 2.47 -0.45 -2.10 114.38 116.52 3fls h ARG 73 Ca 0.22 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 3fls h ARG 73 Cb 0.25 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3fls h ARG 73 CO -0.25 0.53 0.04 -0.07 0.56 0.00 0.00 179.97 180.78 3fls h LEU 74 N 0.82 0.14 -1.03 3.04 3.38 -0.45 -2.88 115.31 118.34 3fls h LEU 74 Ca 0.27 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3fls h LEU 74 Cb 0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3fls h LEU 74 CO -0.10 0.27 -0.48 -0.07 0.09 0.00 0.00 178.44 178.15 3fls h LEU 75 N 0.01 0.00 -0.53 1.67 3.38 -1.20 -2.75 115.31 115.89 3fls h LEU 75 Ca 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 3fls h LEU 75 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3fls h LEU 75 CO -0.00 0.48 -0.58 0.11 0.09 0.00 0.00 178.44 178.54 3fls h LYS 76 N 0.00 0.50 -0.30 1.13 1.57 -1.38 -3.24 116.57 114.85 3fls h LYS 76 Ca -0.00 -0.33 -0.15 0.00 -1.87 0.00 0.00 60.65 58.30 3fls h LYS 76 Cb 0.86 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3fls h LYS 76 CO 0.06 0.93 -0.42 1.25 -0.57 0.00 0.00 179.45 180.70 3fls h HIS 77 N 0.38 0.90 -3.36 -1.35 2.76 -1.32 -3.45 115.15 109.71 3fls h HIS 77 Ca 0.00 -0.28 -0.57 0.00 -2.20 0.00 0.00 60.37 57.33 3fls h HIS 77 Cb 1.12 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.83 3fls h HIS 77 CO 0.04 1.04 1.04 -1.64 -1.30 0.00 0.00 177.93 177.11 3fls s MET 78 N -4.27 3.62 -0.35 5.26 -1.94 -1.05 -4.94 119.30 115.62 3fls s MET 78 Ca -0.09 0.87 0.01 0.00 -1.71 0.00 0.00 55.69 54.77 3fls s MET 78 Cb 0.12 -4.00 0.11 0.00 2.01 0.00 0.00 34.83 33.07 3fls s MET 78 CO 0.86 -1.51 0.13 0.15 -0.01 0.00 0.00 175.02 174.63 3fls s LYS 79 N 4.81 1.02 -0.28 2.03 1.02 -1.26 -4.57 119.74 122.50 3fls s LYS 79 Ca 0.58 -1.49 -0.24 0.00 0.02 0.00 0.00 55.97 54.85 3fls s LYS 79 Cb -0.12 -2.32 0.11 0.00 -0.52 0.00 0.00 37.83 34.98 3fls s LYS 79 CO 0.32 -1.03 0.97 -1.58 -0.92 0.00 0.00 175.35 173.11 3fls s HIS 80 N 1.13 -0.55 0.41 3.18 2.46 -1.26 -5.05 115.29 115.61 3fls s HIS 80 Ca 0.12 1.32 0.18 0.00 0.47 0.00 0.00 55.06 57.15 3fls s HIS 80 Cb -0.20 0.35 1.10 0.00 -0.13 0.00 0.00 32.58 33.71 3fls s HIS 80 CO -0.15 -0.27 1.82 0.93 -2.47 0.00 0.00 174.74 174.60 3fls h GLU 81 N 4.55 0.38 -0.61 2.88 5.08 -1.98 -1.97 114.58 122.92 3fls h GLU 81 Ca -0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3fls h GLU 81 Cb 1.18 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3fls h GLU 81 CO 0.10 0.25 0.00 0.09 -1.00 0.00 0.00 179.01 178.46 3fls n ASN 82 N -4.55 4.65 -3.95 1.42 5.03 -1.26 -4.65 115.26 111.95 3fls n ASN 82 Ca 0.22 -2.47 -0.22 0.00 0.87 0.00 0.00 54.58 52.98 3fls n ASN 82 Cb 0.79 -0.56 -0.16 0.00 -1.02 0.00 0.00 39.78 38.83 3fls n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3fls s VAL 83 N -1.88 0.78 -0.20 2.41 1.01 -0.74 -1.28 120.40 120.49 3fls s VAL 83 Ca 0.49 -0.27 -0.39 0.00 0.00 0.00 0.00 61.98 61.81 3fls s VAL 83 Cb 0.32 -0.75 -0.16 0.00 0.00 0.00 0.00 36.38 35.79 3fls s VAL 83 CO 0.23 0.28 1.68 0.00 0.00 0.00 0.00 175.10 177.29 3fls n ILE 84 N 3.93 0.27 -4.25 2.22 3.06 -0.72 -4.45 119.36 119.41 3fls n ILE 84 Ca -0.24 -0.05 -0.25 0.00 -2.50 0.00 0.00 62.75 59.71 3fls n ILE 84 Cb 0.51 -1.20 -0.08 0.00 0.54 0.00 0.00 39.64 39.42 3fls n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3fls s GLY 85 N 3.01 1.67 -0.29 4.50 0.00 -1.26 -4.90 107.32 110.06 3fls s GLY 85 Ca 0.95 -1.52 -0.20 0.00 0.00 0.00 0.00 44.72 43.96 3fls s GLY 85 CO 0.61 -1.56 0.60 -2.27 0.00 0.00 0.00 173.10 170.49 3fls s LEU 86 N -3.31 4.12 0.07 0.66 2.96 -1.26 -4.50 118.68 117.43 3fls s LEU 86 Ca 0.29 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.67 3fls s LEU 86 Cb -0.08 -2.78 -0.26 0.00 0.50 0.00 0.00 46.19 43.57 3fls s LEU 86 CO 0.19 -0.42 1.10 -0.07 -1.32 0.00 0.00 176.35 175.83 3fls h LEU 87 N 9.04 0.29 -7.00 -0.68 3.38 -0.46 -3.42 115.31 116.46 3fls h LEU 87 Ca -0.27 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.44 3fls h LEU 87 Cb 1.12 -0.09 -0.19 0.00 0.09 0.00 0.00 40.66 41.59 3fls h LEU 87 CO 0.78 1.26 0.47 -0.62 0.09 0.00 0.00 178.44 180.43 3fls s ASP 88 N -6.96 -0.41 -0.01 -0.43 3.68 -1.11 -4.50 116.67 106.93 3fls s ASP 88 Ca -0.04 0.28 -0.01 0.00 2.13 0.00 0.00 52.55 54.92 3fls s ASP 88 Cb 0.08 0.37 0.00 0.00 -1.45 0.00 0.00 42.92 41.92 3fls s ASP 88 CO 0.86 -0.50 0.03 0.54 0.13 0.00 0.00 175.17 176.23 3fls s VAL 89 N -1.94 -0.00 0.18 1.11 0.11 -1.26 -0.21 120.40 118.39 3fls s VAL 89 Ca -0.00 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 3fls s VAL 89 Cb -0.01 -0.05 -0.01 0.00 -1.53 0.00 0.00 36.38 34.78 3fls s VAL 89 CO -0.02 0.00 0.31 0.72 -3.33 0.00 0.00 175.10 172.79 3fls s PHE 90 N 0.06 0.42 0.00 1.54 -0.12 -0.68 -5.00 117.98 114.20 3fls s PHE 90 Ca -0.00 -0.77 -0.02 0.00 -0.05 0.00 0.00 56.93 56.09 3fls s PHE 90 Cb -0.01 -0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 3fls s PHE 90 CO -0.00 -0.76 0.02 -0.08 -0.05 0.00 0.00 175.22 174.35 3fls s THR 91 N -3.98 0.06 -1.62 -4.49 -1.32 -1.26 -1.79 115.64 101.23 3fls s THR 91 Ca 0.19 -0.48 0.30 0.00 -1.21 0.00 0.00 61.69 60.49 3fls s THR 91 Cb 0.03 -0.19 0.63 0.00 -1.51 0.00 0.00 72.50 71.45 3fls s THR 91 CO 0.02 -0.26 2.05 -0.81 -2.21 0.00 0.00 174.62 173.41 3fls n PRO 92 N 2.23 0.59 -2.63 7.08 -0.04 -1.26 -4.85 135.00 136.12 3fls n PRO 92 Ca -0.19 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 62.88 3fls n PRO 92 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.49 3fls n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fls s ALA 93 N -2.38 3.33 -0.12 0.55 0.00 -1.26 -4.98 121.76 116.90 3fls s ALA 93 Ca 0.34 0.70 0.18 0.00 0.00 0.00 0.00 51.96 53.18 3fls s ALA 93 Cb 0.20 -3.29 -0.20 0.00 0.00 0.00 0.00 23.12 19.83 3fls s ALA 93 CO 0.41 -0.05 0.59 0.54 0.00 0.00 0.00 175.76 177.26 3fls n ARG 94 N 2.15 0.64 -4.46 0.00 1.74 -1.26 -4.94 116.66 110.53 3fls n ARG 94 Ca 0.01 0.11 -0.22 0.00 -0.77 0.00 0.00 57.85 56.98 3fls n ARG 94 Cb 0.47 -1.70 -0.11 0.00 -1.02 0.00 0.00 32.46 30.11 3fls n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3fls s SER 95 N -5.54 2.71 0.46 0.55 1.04 -1.26 -5.03 113.70 106.63 3fls s SER 95 Ca -0.05 -1.31 0.16 0.00 0.48 0.00 0.00 55.95 55.22 3fls s SER 95 Cb 0.09 -0.16 1.07 0.00 0.10 0.00 0.00 66.02 67.12 3fls s SER 95 CO 0.83 -0.49 2.02 0.25 0.98 0.00 0.00 173.24 176.82 3fls h LEU 96 N 2.13 0.00 -1.27 2.42 5.85 -1.96 -2.75 115.31 119.72 3fls h LEU 96 Ca -0.41 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 3fls h LEU 96 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3fls h LEU 96 CO 0.70 0.16 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.54 3fls h GLU 97 N 0.00 0.39 -0.00 1.25 4.39 -2.00 -2.71 114.58 115.89 3fls h GLU 97 Ca -0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3fls h GLU 97 Cb 0.28 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3fls h GLU 97 CO 0.02 0.49 -0.68 0.39 -1.16 0.00 0.00 179.01 178.06 3fls n GLU 98 N -4.26 0.10 -1.79 2.33 -0.58 -1.09 -4.95 120.64 110.39 3fls n GLU 98 Ca 0.00 -0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.25 3fls n GLU 98 Cb 0.27 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 3fls n GLU 98 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3fls s PHE 99 N -2.95 1.52 0.00 -0.32 5.36 -1.03 -4.76 117.98 115.80 3fls s PHE 99 Ca 0.11 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.02 3fls s PHE 99 Cb 0.17 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 3fls s PHE 99 CO 0.75 -4.68 0.03 -1.71 -1.46 0.00 0.00 175.22 168.16 3fls n ASN 100 N 8.14 0.00 -3.85 6.13 5.15 -1.26 -5.05 115.26 124.52 3fls n ASN 100 Ca 0.21 -1.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.03 3fls n ASN 100 Cb 0.42 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.52 3fls n ASN 100 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3fls s ASP 101 N 0.00 0.31 -0.11 1.20 1.11 -1.26 -4.69 116.67 113.22 3fls s ASP 101 Ca 0.00 -0.02 0.02 0.00 0.18 0.00 0.00 52.55 52.73 3fls s ASP 101 Cb 0.00 -0.12 0.01 0.00 1.07 0.00 0.00 42.92 43.88 3fls s ASP 101 CO 0.00 -0.05 -0.17 -0.69 1.18 0.00 0.00 175.17 175.44 3fls s VAL 102 N 0.59 1.63 -0.09 -1.27 1.01 -1.26 -4.54 120.40 116.46 3fls s VAL 102 Ca -0.06 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3fls s VAL 102 Cb -0.08 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3fls s VAL 102 CO -0.01 0.47 -0.21 -0.31 0.00 0.00 0.00 175.10 175.03 3fls s TYR 103 N 0.83 2.58 -0.03 5.22 1.51 -0.74 -2.35 117.35 124.37 3fls s TYR 103 Ca -0.09 -0.78 0.06 0.00 -1.01 0.00 0.00 57.07 55.26 3fls s TYR 103 Cb -0.16 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 3fls s TYR 103 CO 0.00 -0.26 -0.22 -0.51 -1.11 0.00 0.00 175.55 173.46 3fls s LEU 104 N 0.08 2.30 -0.07 -1.29 1.43 -0.08 -1.69 118.68 119.35 3fls s LEU 104 Ca -0.09 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3fls s LEU 104 Cb -0.15 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.66 3fls s LEU 104 CO 0.06 0.33 -0.15 -0.69 0.23 0.00 0.00 176.35 176.12 3fls s VAL 105 N -0.66 1.36 0.18 -1.59 1.01 0.70 -0.22 120.40 121.18 3fls s VAL 105 Ca 0.11 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3fls s VAL 105 Cb -0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3fls s VAL 105 CO -0.00 0.40 0.16 1.07 0.00 0.00 0.00 175.10 176.73 3fls n THR 106 N 3.74 0.00 -2.11 3.92 5.66 -0.13 0.34 114.28 125.70 3fls n THR 106 Ca -0.22 -1.30 -0.41 0.00 -3.05 0.00 0.00 64.05 59.08 3fls n THR 106 Cb 0.52 0.66 -0.02 0.00 -1.55 0.00 0.00 70.33 69.93 3fls n THR 106 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3fls s HIS 107 N -2.82 3.05 -0.14 1.09 3.76 -1.26 -0.52 115.29 118.45 3fls s HIS 107 Ca 0.21 1.38 -0.29 0.00 -0.15 0.00 0.00 55.06 56.21 3fls s HIS 107 Cb 0.01 -3.69 -0.01 0.00 1.11 0.00 0.00 32.58 30.00 3fls s HIS 107 CO 0.15 -1.92 1.10 -1.17 -0.85 0.00 0.00 174.74 172.05 3fls s LEU 108 N -1.62 4.20 0.01 0.89 2.96 -0.98 -4.14 118.68 119.99 3fls s LEU 108 Ca 0.50 1.57 -0.08 0.00 -0.22 0.00 0.00 54.13 55.90 3fls s LEU 108 Cb -0.40 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.69 3fls s LEU 108 CO 0.52 -0.60 0.30 -0.04 -1.32 0.00 0.00 176.35 175.20 3fls s MET 109 N 2.68 3.64 0.07 1.98 -1.94 -1.26 -4.88 119.30 119.59 3fls s MET 109 Ca 0.50 0.02 -0.21 0.00 -1.71 0.00 0.00 55.69 54.29 3fls s MET 109 Cb -0.19 -3.09 -0.11 0.00 2.01 0.00 0.00 34.83 33.44 3fls s MET 109 CO 0.15 0.65 1.56 0.78 -0.01 0.00 0.00 175.02 178.15 3fls h GLY 110 N 4.12 0.27 -4.62 -0.03 0.00 -1.83 -3.47 103.07 97.50 3fls h GLY 110 Ca -0.51 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 3fls h GLY 110 CO 0.65 0.15 -0.00 0.00 0.00 0.00 0.00 176.54 177.34 3fls s ALA 111 N -5.30 -1.43 0.69 3.60 0.00 -0.89 -5.00 121.76 113.42 3fls s ALA 111 Ca -0.14 1.29 -0.09 0.00 0.00 0.00 0.00 51.96 53.02 3fls s ALA 111 Cb 0.06 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.76 3fls s ALA 111 CO 0.71 -0.30 1.04 0.16 0.00 0.00 0.00 175.76 177.36 3fls s ASP 112 N -0.50 5.29 0.39 0.00 3.84 -1.26 0.07 116.67 124.50 3fls s ASP 112 Ca -0.06 0.88 0.07 0.00 -0.00 0.00 0.00 52.55 53.44 3fls s ASP 112 Cb -0.03 -1.68 0.79 0.00 -1.38 0.00 0.00 42.92 40.63 3fls s ASP 112 CO 0.05 -1.37 1.99 0.25 -0.00 0.00 0.00 175.17 176.09 3fls h LEU 113 N -0.56 0.43 -0.72 2.11 5.85 0.20 -2.14 115.31 120.47 3fls h LEU 113 Ca -0.45 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.38 3fls h LEU 113 Cb 1.27 -0.11 -0.11 0.00 0.37 0.00 0.00 40.66 42.09 3fls h LEU 113 CO 0.63 0.40 0.18 0.78 -0.34 0.00 0.00 178.44 180.08 3fls h ASN 114 N 0.48 0.02 0.26 1.25 -0.26 -1.86 -2.13 115.58 113.34 3fls h ASN 114 Ca 0.12 0.14 -0.09 0.00 -0.56 0.00 0.00 56.30 55.91 3fls h ASN 114 Cb 0.11 0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 3fls h ASN 114 CO -0.01 -0.02 -0.37 0.78 -1.06 0.00 0.00 177.43 176.75 3fls h ASN 115 N 0.28 0.16 0.09 5.81 -0.26 -1.75 -2.58 115.58 117.32 3fls h ASN 115 Ca 0.40 -0.06 -0.19 0.00 -0.56 0.00 0.00 56.30 55.90 3fls h ASN 115 Cb 0.67 -0.04 0.02 0.00 -1.06 0.00 0.00 38.32 37.91 3fls h ASN 115 CO -0.49 0.52 -0.78 0.40 -1.06 0.00 0.00 177.43 176.02 3fls h ILE 116 N 0.13 1.46 -0.17 2.81 2.04 -1.51 -3.35 117.51 118.93 3fls h ILE 116 Ca 0.01 -2.36 0.03 0.00 1.00 0.00 0.00 64.86 63.54 3fls h ILE 116 Cb 0.72 2.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.70 3fls h ILE 116 CO 0.05 0.68 -0.01 0.58 0.00 0.00 0.00 178.15 179.45 3fls h VAL 117 N -0.21 0.87 -6.97 1.67 2.07 -1.33 -3.47 116.25 108.87 3fls h VAL 117 Ca -0.12 -0.01 -0.45 0.00 0.82 0.00 0.00 66.70 66.93 3fls h VAL 117 Cb 1.55 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3fls h VAL 117 CO 0.15 0.01 -0.79 2.29 0.02 0.00 0.00 177.57 179.25 3fls n LYS 118 N -5.14 -0.52 0.00 1.57 2.85 -0.98 -2.09 118.16 113.84 3fls n LYS 118 Ca -0.03 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3fls n LYS 118 Cb 0.10 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 3fls n LYS 118 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fls s GLN 120 N 0.00 2.86 0.75 0.00 1.03 -0.89 -4.54 119.66 118.87 3fls s GLN 120 Ca 0.00 0.07 -0.11 0.00 0.04 0.00 0.00 55.36 55.36 3fls s GLN 120 Cb 0.00 -2.22 0.05 0.00 0.03 0.00 0.00 33.01 30.87 3fls s GLN 120 CO 0.00 -0.79 1.12 0.15 -2.54 0.00 0.00 175.29 173.22 3fls s LYS 121 N -5.08 2.40 0.13 9.60 1.02 -1.26 -4.33 119.74 122.22 3fls s LYS 121 Ca 0.55 0.21 0.07 0.00 0.02 0.00 0.00 55.97 56.82 3fls s LYS 121 Cb -0.11 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 3fls s LYS 121 CO 0.46 -1.29 -0.15 -0.51 -0.92 0.00 0.00 175.35 172.94 3fls s LEU 122 N -5.43 2.41 0.59 3.17 1.02 -1.22 -5.00 118.68 114.23 3fls s LEU 122 Ca 0.60 -0.83 -0.18 0.00 0.02 0.00 0.00 54.13 53.74 3fls s LEU 122 Cb -0.11 -0.62 -0.03 0.00 0.02 0.00 0.00 46.19 45.45 3fls s LEU 122 CO 0.50 -0.12 1.15 0.42 0.02 0.00 0.00 176.35 178.32 3fls s THR 123 N -2.14 3.00 0.31 5.49 -4.23 -1.26 -4.85 115.64 111.96 3fls s THR 123 Ca 0.11 0.58 0.02 0.00 -1.18 0.00 0.00 61.69 61.21 3fls s THR 123 Cb -0.05 -3.18 0.28 0.00 1.34 0.00 0.00 72.50 70.89 3fls s THR 123 CO 0.04 -0.18 1.92 -0.78 -0.54 0.00 0.00 174.62 175.08 3fls h ASP 124 N 0.77 0.86 -0.52 3.99 3.58 -1.98 -1.61 116.42 121.51 3fls h ASP 124 Ca -0.49 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 3fls h ASP 124 Cb 1.27 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 3fls h ASP 124 CO 0.55 0.55 0.26 -0.78 -2.88 0.00 0.00 179.24 176.94 3fls h ASP 125 N 0.98 0.67 -0.49 2.28 3.58 -2.00 -1.00 116.42 120.45 3fls h ASP 125 Ca 0.37 -0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.74 3fls h ASP 125 Cb 0.21 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 3fls h ASP 125 CO -0.14 0.61 0.26 0.45 -2.88 0.00 0.00 179.24 177.54 3fls h HIS 126 N 0.69 0.48 -0.64 0.28 3.86 -1.70 -2.18 115.15 115.95 3fls h HIS 126 Ca 0.18 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 3fls h HIS 126 Cb 0.11 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 3fls h HIS 126 CO -0.01 0.25 0.15 0.28 0.86 0.00 0.00 177.93 179.47 3fls h VAL 127 N 0.52 1.25 0.27 2.45 2.07 -1.11 -2.02 116.25 119.68 3fls h VAL 127 Ca 0.21 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 3fls h VAL 127 Cb 0.08 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3fls h VAL 127 CO -0.13 0.35 -0.23 1.56 0.02 0.00 0.00 177.57 179.14 3fls h GLN 128 N 0.97 -0.50 -0.66 1.57 4.20 -0.91 -0.77 115.11 119.00 3fls h GLN 128 Ca 0.20 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.98 3fls h GLN 128 Cb 0.35 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 3fls h GLN 128 CO 0.00 -0.34 0.41 0.35 -0.67 0.00 0.00 178.83 178.58 3fls h PHE 129 N -0.52 0.76 -0.17 2.96 3.57 -1.25 0.71 116.94 123.00 3fls h PHE 129 Ca -0.01 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 3fls h PHE 129 Cb 0.47 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3fls h PHE 129 CO -0.14 0.43 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.00 3fls h LEU 130 N 0.79 0.55 -0.66 0.59 3.38 -1.26 -2.01 115.31 116.69 3fls h LEU 130 Ca 0.27 -0.54 -0.14 0.00 0.09 0.00 0.00 57.88 57.56 3fls h LEU 130 Cb 0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3fls h LEU 130 CO -0.11 0.98 -0.46 0.40 0.09 0.00 0.00 178.44 179.34 3fls h ILE 131 N 0.13 1.31 -0.59 1.22 1.08 -1.07 -2.30 117.51 117.31 3fls h ILE 131 Ca 0.01 -1.66 0.05 0.00 -0.39 0.00 0.00 64.86 62.87 3fls h ILE 131 Cb 0.88 1.67 -0.05 0.00 -3.07 0.00 0.00 36.82 36.25 3fls h ILE 131 CO 0.07 0.52 0.32 0.22 -0.69 0.00 0.00 178.15 178.58 3fls h TYR 132 N 0.40 0.58 -0.42 1.37 3.20 -0.80 -1.35 116.97 119.95 3fls h TYR 132 Ca 0.02 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 3fls h TYR 132 Cb 0.96 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3fls h TYR 132 CO 0.03 0.29 -0.15 1.96 -1.64 0.00 0.00 178.16 178.65 3fls h GLN 133 N 0.60 0.85 -0.33 1.82 4.20 -1.19 -0.74 115.11 120.32 3fls h GLN 133 Ca 0.26 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.64 3fls h GLN 133 Cb 0.14 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3fls h GLN 133 CO -0.16 0.98 0.18 0.82 -0.67 0.00 0.00 178.83 179.98 3fls h ILE 134 N 0.67 1.01 -0.30 2.54 2.04 -1.27 -0.75 117.51 121.45 3fls h ILE 134 Ca 0.10 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 3fls h ILE 134 Cb 0.70 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3fls h ILE 134 CO 0.05 0.07 -0.09 -0.07 0.00 0.00 0.00 178.15 178.11 3fls h LEU 135 N 0.38 0.47 -0.28 1.44 3.38 -1.08 0.38 115.31 120.00 3fls h LEU 135 Ca 0.13 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3fls h LEU 135 Cb 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3fls h LEU 135 CO -0.08 0.60 -0.23 -0.09 0.09 0.00 0.00 178.44 178.74 3fls h ARG 136 N 0.46 0.66 0.05 1.13 2.43 -0.94 -1.00 114.38 117.17 3fls h ARG 136 Ca 0.09 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3fls h ARG 136 Cb 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3fls h ARG 136 CO 0.02 0.93 -0.02 0.78 -1.51 0.00 0.00 179.97 180.17 3fls h GLY 137 N 0.40 -0.07 1.25 2.80 0.00 -0.60 -2.99 103.07 103.85 3fls h GLY 137 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3fls h GLY 137 CO 0.06 -0.02 0.46 1.41 0.00 0.00 0.00 176.54 178.45 3fls h LEU 138 N -0.07 0.76 -0.50 3.11 3.38 -0.17 -1.86 115.31 119.95 3fls h LEU 138 Ca -0.01 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3fls h LEU 138 Cb 0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3fls h LEU 138 CO 0.01 0.54 0.10 0.50 0.09 0.00 0.00 178.44 179.67 3fls h LYS 139 N 0.89 0.82 0.21 1.13 3.64 -1.10 0.19 116.57 122.36 3fls h LYS 139 Ca 0.27 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3fls h LYS 139 Cb -0.02 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3fls h LYS 139 CO -0.07 0.81 -0.13 -0.92 -2.27 0.00 0.00 179.45 176.87 3fls h TYR 140 N 0.70 -0.33 -0.33 1.91 3.20 -1.35 -0.81 116.97 119.97 3fls h TYR 140 Ca 0.15 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.07 3fls h TYR 140 Cb 0.37 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3fls h TYR 140 CO 0.03 -0.20 0.06 0.82 -1.64 0.00 0.00 178.16 177.23 3fls h ILE 141 N -0.32 0.84 -0.03 1.81 2.04 -1.21 -2.83 117.51 117.80 3fls h ILE 141 Ca -0.02 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 3fls h ILE 141 Cb 0.27 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3fls h ILE 141 CO 0.02 0.03 -0.44 0.45 0.00 0.00 0.00 178.15 178.22 3fls h HIS 142 N 0.18 0.08 0.00 1.37 3.86 -0.56 -2.50 115.15 117.57 3fls h HIS 142 Ca 0.15 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3fls h HIS 142 Cb 0.17 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 3fls h HIS 142 CO -0.18 0.49 -0.01 0.66 0.86 0.00 0.00 177.93 179.75 3fls h SER 143 N 0.06 0.00 -0.45 2.45 4.64 -0.88 0.62 113.55 119.98 3fls h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fls h SER 143 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3fls h SER 143 CO 0.06 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3fls n ALA 144 N -2.11 2.43 -2.88 5.18 0.00 -0.97 -4.72 120.51 117.44 3fls n ALA 144 Ca -0.02 -0.97 -0.21 0.00 0.00 0.00 0.00 53.44 52.24 3fls n ALA 144 Cb 0.14 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 18.68 3fls n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fls n ASP 145 N 1.27 -5.90 -4.64 0.00 10.43 0.21 -4.36 116.55 113.56 3fls n ASP 145 Ca 0.20 -0.23 -0.35 0.00 2.57 0.00 0.00 54.79 56.98 3fls n ASP 145 Cb 0.54 -4.75 -0.10 0.00 1.84 0.00 0.00 41.12 38.65 3fls n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3fls s ILE 146 N -3.13 4.50 -0.08 0.53 1.01 -1.04 -5.03 121.20 117.96 3fls s ILE 146 Ca 0.24 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.75 3fls s ILE 146 Cb -0.11 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 3fls s ILE 146 CO 0.30 0.52 -0.08 -0.63 0.00 0.00 0.00 174.94 175.05 3fls s ILE 147 N -0.10 3.56 0.09 2.92 1.01 -1.26 -3.64 121.20 123.78 3fls s ILE 147 Ca 0.05 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 3fls s ILE 147 Cb -0.12 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.81 3fls s ILE 147 CO 0.02 0.58 1.52 -0.74 0.00 0.00 0.00 174.94 176.31 3fls h HIS 148 N 5.58 0.57 0.00 3.97 -0.00 -1.93 -2.92 115.15 120.42 3fls h HIS 148 Ca -0.44 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 59.82 3fls h HIS 148 Cb 1.18 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 3fls h HIS 148 CO 0.54 0.68 0.00 0.54 -0.00 0.00 0.00 177.93 179.69 3fls n ARG 149 N -4.56 0.00 -2.78 5.26 1.74 -1.26 -2.59 116.66 112.47 3fls n ARG 149 Ca -0.03 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.04 3fls n ARG 149 Cb 0.27 -2.26 0.08 0.00 -1.02 0.00 0.00 32.46 29.53 3fls n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fls n ASP 150 N 0.00 0.55 -4.73 0.55 2.03 -1.26 -5.01 116.55 108.67 3fls n ASP 150 Ca 0.00 -2.09 -0.42 0.00 0.52 0.00 0.00 54.79 52.80 3fls n ASP 150 Cb 0.00 -0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 3fls n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fls s LEU 151 N -3.91 4.37 0.01 -2.67 1.43 -1.26 -4.93 118.68 111.72 3fls s LEU 151 Ca 0.21 2.70 -0.29 0.00 -1.03 0.00 0.00 54.13 55.72 3fls s LEU 151 Cb 0.36 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 43.08 3fls s LEU 151 CO -0.07 -0.82 1.02 -1.59 0.23 0.00 0.00 176.35 175.12 3fls s LYS 152 N 0.57 0.79 0.38 1.70 -2.85 -1.26 -4.79 119.74 114.28 3fls s LYS 152 Ca 0.67 -0.37 0.11 0.00 -1.00 0.00 0.00 55.97 55.38 3fls s LYS 152 Cb -0.44 0.31 0.89 0.00 -2.06 0.00 0.00 37.83 36.53 3fls s LYS 152 CO 0.36 -0.35 1.90 -1.35 0.10 0.00 0.00 175.35 176.01 3fls h PRO 153 N 2.00 0.58 0.00 1.78 0.11 -1.94 -0.42 132.00 134.12 3fls h PRO 153 Ca -0.22 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3fls h PRO 153 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fls h PRO 153 CO 0.28 0.39 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 3fls n SER 154 N -4.52 0.35 -0.81 -2.05 3.41 -1.26 -1.61 113.62 107.13 3fls n SER 154 Ca 0.15 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 3fls n SER 154 Cb 0.45 -0.65 0.26 0.00 -0.26 0.00 0.00 64.21 64.02 3fls n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fls n ASN 155 N -1.86 2.52 -4.12 4.04 3.02 -0.17 -4.82 115.26 113.87 3fls n ASN 155 Ca 0.04 -1.83 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 3fls n ASN 155 Cb 0.27 -0.04 -0.15 0.00 -0.61 0.00 0.00 39.78 39.25 3fls n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fls s LEU 156 N -1.89 3.29 0.03 3.41 1.43 -0.98 -1.29 118.68 122.67 3fls s LEU 156 Ca 0.33 -1.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.30 3fls s LEU 156 Cb 0.20 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3fls s LEU 156 CO 0.31 -0.16 -0.03 0.00 0.23 0.00 0.00 176.35 176.70 3fls s ALA 157 N 1.20 3.18 0.03 4.21 0.00 -0.50 -0.51 121.76 129.37 3fls s ALA 157 Ca -0.04 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3fls s ALA 157 Cb -0.18 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 3fls s ALA 157 CO -0.05 0.65 -0.06 0.08 0.00 0.00 0.00 175.76 176.37 3fls s VAL 158 N -1.11 0.45 0.00 0.00 1.01 0.11 -0.08 120.40 120.77 3fls s VAL 158 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3fls s VAL 158 Cb -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.78 3fls s VAL 158 CO 0.11 -0.25 0.00 -0.46 0.00 0.00 0.00 175.10 174.50 3fls n ASN 159 N 1.92 0.00 0.07 3.32 0.23 -0.46 -2.10 115.26 118.23 3fls n ASN 159 Ca -0.20 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 53.87 3fls n ASN 159 Cb 0.56 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.21 3fls n ASN 159 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3fls h GLU 160 N 0.00 0.00 -0.27 -3.83 3.07 -2.00 -3.22 114.58 108.33 3fls h GLU 160 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fls h GLU 160 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3fls h GLU 160 CO 0.00 0.28 0.00 -0.25 -1.40 0.00 0.00 179.01 177.64 3fls n ASP 161 N -2.92 1.56 -1.72 1.42 9.92 -1.26 -4.90 116.55 118.65 3fls n ASP 161 Ca -0.06 -1.94 -0.14 0.00 -0.53 0.00 0.00 54.79 52.12 3fls n ASP 161 Cb 0.77 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 41.08 3fls n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fls s GLU 163 N -4.89 4.47 -0.06 0.00 2.02 -1.26 -4.85 118.70 114.13 3fls s GLU 163 Ca 0.07 1.03 0.03 0.00 0.02 0.00 0.00 54.97 56.12 3fls s GLU 163 Cb -0.03 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 3fls s GLU 163 CO 0.09 0.02 -0.14 -1.17 0.02 0.00 0.00 175.26 174.08 3fls s LEU 164 N 0.91 2.75 -0.01 1.80 0.20 -1.26 -1.36 118.68 121.72 3fls s LEU 164 Ca 0.41 -0.20 0.06 0.00 0.69 0.00 0.00 54.13 55.10 3fls s LEU 164 Cb -0.19 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 3fls s LEU 164 CO 0.21 0.33 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.86 3fls s LYS 165 N -0.64 1.60 -0.08 1.98 1.02 0.89 -4.20 119.74 120.30 3fls s LYS 165 Ca 0.10 -0.76 -0.21 0.00 0.02 0.00 0.00 55.97 55.12 3fls s LYS 165 Cb -0.11 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 3fls s LYS 165 CO 0.01 0.43 0.60 0.42 -0.92 0.00 0.00 175.35 175.88 3fls s ILE 166 N -0.53 5.09 0.30 2.17 1.01 -0.41 -1.40 121.20 127.44 3fls s ILE 166 Ca 0.08 1.22 0.09 0.00 0.00 0.00 0.00 60.65 62.04 3fls s ILE 166 Cb -0.08 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 3fls s ILE 166 CO -0.00 0.30 0.04 -0.76 0.00 0.00 0.00 174.94 174.52 3fls s LEU 167 N 0.60 3.16 -1.01 2.97 1.43 -0.41 -1.76 118.68 123.66 3fls s LEU 167 Ca 0.32 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3fls s LEU 167 Cb -0.17 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.42 3fls s LEU 167 CO 0.15 -0.14 0.00 -0.67 0.23 0.00 0.00 176.35 175.92 3fls n ASP 168 N -0.98 -4.35 -4.76 2.29 2.03 -1.26 -4.87 116.55 104.65 3fls n ASP 168 Ca -0.05 0.23 -0.38 0.00 0.52 0.00 0.00 54.79 55.12 3fls n ASP 168 Cb 0.60 -2.68 0.00 0.00 -0.72 0.00 0.00 41.12 38.32 3fls n ASP 168 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3fls s PHE 169 N -2.28 2.72 0.00 -0.67 -0.12 -1.26 -3.86 117.98 112.51 3fls s PHE 169 Ca 0.00 1.48 0.00 0.00 -0.05 0.00 0.00 56.93 58.36 3fls s PHE 169 Cb 0.00 -3.51 0.00 0.00 -0.63 0.00 0.00 43.02 38.88 3fls s PHE 169 CO 0.00 -1.91 0.00 0.41 -0.05 0.00 0.00 175.22 173.67 3fls n GLY 170 N 0.54 0.31 0.00 1.99 0.00 -1.07 -4.96 105.19 102.01 3fls n GLY 170 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3fls n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fls n LEU 171 N 0.00 0.00 -3.76 0.99 4.77 -1.25 -5.00 117.00 112.75 3fls n LEU 171 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3fls n LEU 171 Cb 0.19 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 3fls n LEU 171 CO 0.00 0.00 0.03 -1.00 -1.33 0.00 0.00 177.39 175.09 3fls s HIS 174 N 1.99 -0.23 0.00 -1.77 3.76 -1.26 -4.95 115.29 112.83 3fls s HIS 174 Ca 0.00 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 3fls s HIS 174 Cb 0.00 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.80 3fls s HIS 174 CO 0.00 -0.35 0.00 0.25 -0.85 0.00 0.00 174.74 173.79 3fls n THR 175 N 1.64 0.00 0.05 1.30 -2.24 -1.26 -4.99 114.28 108.78 3fls n THR 175 Ca -0.20 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 3fls n THR 175 Cb 0.56 -1.90 -0.13 0.00 -2.10 0.00 0.00 70.33 66.76 3fls n THR 175 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fls h ASP 176 N -0.08 0.65 0.72 3.42 3.45 -2.05 -3.35 116.42 119.18 3fls h ASP 176 Ca 0.00 -0.85 -0.26 0.00 0.43 0.00 0.00 57.03 56.35 3fls h ASP 176 Cb 0.00 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 3fls h ASP 176 CO 0.00 1.43 -1.20 -0.78 -1.57 0.00 0.00 179.24 177.12 3fls h ASP 177 N -0.04 0.30 0.87 6.45 -0.00 -1.96 -3.25 116.42 118.79 3fls h ASP 177 Ca -0.14 -0.33 0.00 0.00 -0.00 0.00 0.00 57.03 56.55 3fls h ASP 177 Cb 1.66 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.89 3fls h ASP 177 CO 0.18 1.26 0.00 1.05 -0.00 0.00 0.00 179.24 181.73 3fls h GLU 178 N 0.05 0.00 -0.34 0.28 4.11 -1.97 -1.63 114.58 115.08 3fls h GLU 178 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 3fls h GLU 178 Cb 1.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.17 3fls h GLU 178 CO 0.18 0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.93 3fls n MET 179 N -2.41 1.87 -4.30 1.06 2.81 -1.23 -4.74 117.12 110.18 3fls n MET 179 Ca 0.02 -1.35 -0.35 0.00 -1.81 0.00 0.00 57.70 54.22 3fls n MET 179 Cb 0.27 -1.33 -0.09 0.00 -0.71 0.00 0.00 33.22 31.36 3fls n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3fls s THR 180 N -1.55 4.44 0.00 2.03 2.01 -0.62 -4.84 115.64 117.12 3fls s THR 180 Ca 0.28 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3fls s THR 180 Cb 0.15 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.76 3fls s THR 180 CO 0.20 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 3fls n GLY 181 N 1.99 -0.73 3.48 4.40 0.00 -1.26 -4.56 105.19 108.52 3fls n GLY 181 Ca -0.18 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 3fls n GLY 181 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fls n TYR 182 N 0.00 4.72 -4.23 1.61 9.36 -1.22 -3.93 117.16 123.47 3fls n TYR 182 Ca 0.00 -3.08 -0.19 0.00 3.32 0.00 0.00 57.90 57.95 3fls n TYR 182 Cb 0.00 -2.41 -0.16 0.00 -0.63 0.00 0.00 39.34 36.14 3fls n TYR 182 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3fls s VAL 183 N 2.88 0.58 -1.21 2.97 -7.23 -1.26 -5.01 120.40 112.12 3fls s VAL 183 Ca 0.48 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 3fls s VAL 183 Cb 0.01 -0.56 0.02 0.00 0.56 0.00 0.00 36.38 36.41 3fls s VAL 183 CO 0.04 0.21 0.94 0.00 -0.31 0.00 0.00 175.10 175.98 3fls n ALA 184 N 3.61 1.16 0.31 1.32 0.00 -1.26 -2.31 120.51 123.34 3fls n ALA 184 Ca -0.21 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.36 3fls n ALA 184 Cb 0.53 -1.02 0.42 0.00 0.00 0.00 0.00 19.45 19.38 3fls n ALA 184 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3fls h THR 185 N 0.00 0.00 0.00 0.00 1.35 -1.95 -3.33 112.91 108.98 3fls h THR 185 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3fls h THR 185 Cb 0.02 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3fls h THR 185 CO 0.00 0.00 -0.82 -1.14 -0.25 0.00 0.00 175.52 173.31 3fls n ARG 186 N -2.91 1.85 0.24 4.72 0.63 -0.98 -4.75 116.66 115.46 3fls n ARG 186 Ca 0.03 -0.02 0.14 0.00 -0.92 0.00 0.00 57.85 57.08 3fls n ARG 186 Cb 0.41 -0.93 0.81 0.00 0.45 0.00 0.00 32.46 33.20 3fls n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 3fls h TRP 187 N 0.00 0.00 -0.71 -0.14 6.55 -1.67 -2.66 115.95 117.33 3fls h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3fls h TRP 187 Cb 0.09 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.39 3fls h TRP 187 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 3fls n TYR 188 N -4.04 0.95 -3.19 0.49 4.02 -1.26 -4.60 117.16 109.52 3fls n TYR 188 Ca -0.01 -0.49 -0.39 0.00 -0.01 0.00 0.00 57.90 57.00 3fls n TYR 188 Cb 0.19 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 3fls n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3fls s ARG 189 N -1.01 4.36 0.29 -0.72 1.81 -1.00 -3.90 118.95 118.78 3fls s ARG 189 Ca 0.48 0.63 -0.30 0.00 -1.72 0.00 0.00 55.73 54.82 3fls s ARG 189 Cb 0.25 -3.45 -0.13 0.00 -0.45 0.00 0.00 34.95 31.17 3fls s ARG 189 CO 0.33 0.08 1.38 0.00 -0.68 0.00 0.00 175.30 176.41 3fls n ALA 190 N 3.85 1.39 0.09 2.13 0.00 -1.26 -4.76 120.51 121.94 3fls n ALA 190 Ca -0.04 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.85 3fls n ALA 190 Cb 0.51 -2.29 0.53 0.00 0.00 0.00 0.00 19.45 18.20 3fls n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fls h PRO 191 N 3.50 0.29 -0.68 0.00 0.13 -1.95 -0.65 132.00 132.64 3fls h PRO 191 Ca -0.46 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3fls h PRO 191 Cb 1.27 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3fls h PRO 191 CO 0.70 0.19 0.45 1.05 -0.23 0.00 0.00 178.00 180.16 3fls h GLU 192 N 0.30 0.85 0.00 0.86 9.09 -1.91 -0.65 114.58 123.12 3fls h GLU 192 Ca 0.12 -0.05 -0.30 0.00 0.05 0.00 0.00 59.36 59.18 3fls h GLU 192 Cb 0.10 -0.19 -0.05 0.00 -1.65 0.00 0.00 28.75 26.96 3fls h GLU 192 CO -0.02 0.56 -1.83 1.51 0.05 0.00 0.00 179.01 179.28 3fls n ILE 193 N -4.44 1.52 -0.07 -1.06 3.06 -0.85 0.11 119.36 117.62 3fls n ILE 193 Ca 0.08 -0.80 -0.00 0.00 -2.50 0.00 0.00 62.75 59.53 3fls n ILE 193 Cb 0.07 -0.88 0.28 0.00 0.54 0.00 0.00 39.64 39.65 3fls n ILE 193 CO 0.00 0.00 0.00 -0.03 -2.50 0.00 0.00 176.55 174.02 3fls h MET 194 N 0.00 0.69 -0.14 9.51 4.05 -1.00 -3.22 114.93 124.82 3fls h MET 194 Ca -0.33 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3fls h MET 194 Cb 2.02 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 3fls h MET 194 CO 0.07 0.59 0.00 1.28 0.23 0.00 0.00 176.91 179.08 3fls n LEU 195 N -4.34 2.33 -3.79 3.39 4.77 -0.26 -5.01 117.00 114.08 3fls n LEU 195 Ca 0.04 -1.92 -0.23 0.00 -0.03 0.00 0.00 56.01 53.86 3fls n LEU 195 Cb 0.17 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3fls n LEU 195 CO 0.38 0.58 -0.08 0.59 -1.33 0.00 0.00 177.39 177.53 3fls n ASN 196 N -0.02 -1.48 0.01 -1.43 4.13 -0.59 -4.90 115.26 110.98 3fls n ASN 196 Ca 0.05 -0.86 -0.06 0.00 1.68 0.00 0.00 54.58 55.39 3fls n ASN 196 Cb 0.31 -3.81 0.12 0.00 -1.54 0.00 0.00 39.78 34.87 3fls n ASN 196 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 3fls h TRP 197 N -1.88 0.62 -2.56 3.10 6.55 -0.60 -3.43 115.95 117.75 3fls h TRP 197 Ca -0.61 -0.17 0.13 0.00 0.95 0.00 0.00 58.89 59.19 3fls h TRP 197 Cb 1.36 -0.13 -0.08 0.00 -0.86 0.00 0.00 29.16 29.45 3fls h TRP 197 CO 0.49 0.84 0.40 0.00 -1.05 0.00 0.00 178.44 179.11 3fls s MET 198 N -4.25 1.35 -0.11 0.49 0.23 -1.26 -0.95 119.30 114.81 3fls s MET 198 Ca -0.07 -0.73 -0.31 0.00 -1.03 0.00 0.00 55.69 53.55 3fls s MET 198 Cb 0.13 0.47 -0.08 0.00 -1.53 0.00 0.00 34.83 33.82 3fls s MET 198 CO 0.82 -0.62 2.07 1.58 -2.03 0.00 0.00 175.02 176.84 3fls n HIS 199 N -0.45 2.21 -3.73 3.16 -0.00 -1.26 -4.90 115.22 110.25 3fls n HIS 199 Ca -0.06 -0.17 -0.31 0.00 -0.00 0.00 0.00 57.72 57.18 3fls n HIS 199 Cb 0.60 -2.73 -0.05 0.00 -0.00 0.00 0.00 29.99 27.82 3fls n HIS 199 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3fls s TYR 200 N 6.05 3.49 0.02 1.57 -0.85 -1.26 -5.11 117.35 121.25 3fls s TYR 200 Ca 0.96 0.49 0.00 0.00 -0.52 0.00 0.00 57.07 58.00 3fls s TYR 200 Cb -0.48 -1.95 0.00 0.00 0.38 0.00 0.00 41.96 39.91 3fls s TYR 200 CO 0.42 0.48 0.02 0.27 -1.52 0.00 0.00 175.55 175.22 3fls n ASN 201 N 0.17 0.06 0.28 -0.18 0.23 -1.26 -5.01 115.26 109.54 3fls n ASN 201 Ca -0.03 -1.04 0.14 0.00 -0.53 0.00 0.00 54.58 53.11 3fls n ASN 201 Cb 0.52 -0.01 0.80 0.00 -2.08 0.00 0.00 39.78 39.00 3fls n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3fls h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.97 -3.10 115.11 110.41 3fls h GLN 202 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fls h GLN 202 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3fls h GLN 202 CO 0.01 0.08 0.00 0.25 -0.67 0.00 0.00 178.83 178.50 3fls n THR 203 N -3.64 0.09 -0.28 -0.54 -2.24 -1.26 -2.36 114.28 104.05 3fls n THR 203 Ca -0.02 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3fls n THR 203 Cb 0.19 -0.59 0.39 0.00 -2.10 0.00 0.00 70.33 68.22 3fls n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3fls h VAL 204 N 0.00 0.80 -0.24 2.28 -1.51 -1.92 -2.20 116.25 113.46 3fls h VAL 204 Ca 0.00 -0.23 -0.14 0.00 -1.23 0.00 0.00 66.70 65.10 3fls h VAL 204 Cb 0.15 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.37 3fls h VAL 204 CO 0.00 0.12 -0.44 0.44 -1.23 0.00 0.00 177.57 176.46 3fls h ASP 205 N 0.67 0.63 -0.08 4.19 3.32 -1.75 -2.67 116.42 120.73 3fls h ASP 205 Ca 0.47 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3fls h ASP 205 Cb 0.80 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3fls h ASP 205 CO -0.22 0.99 -0.09 0.40 -1.72 0.00 0.00 179.24 178.59 3fls h ILE 206 N 0.48 1.19 -0.90 0.35 1.08 -1.59 -1.62 117.51 116.50 3fls h ILE 206 Ca 0.03 -0.82 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 3fls h ILE 206 Cb 0.96 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.79 3fls h ILE 206 CO 0.09 0.27 0.50 -0.25 -0.69 0.00 0.00 178.15 178.06 3fls h TRP 207 N 0.35 1.22 -0.37 1.37 2.91 -1.08 -1.97 115.95 118.38 3fls h TRP 207 Ca 0.07 -0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.01 3fls h TRP 207 Cb 0.38 -0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 3fls h TRP 207 CO 0.01 0.84 0.01 0.77 -1.03 0.00 0.00 178.44 179.04 3fls h SER 208 N 1.25 0.63 -0.27 2.65 0.02 -1.16 -2.16 113.55 114.51 3fls h SER 208 Ca 0.32 -0.30 0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3fls h SER 208 Cb 0.02 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 3fls h SER 208 CO -0.05 0.77 -0.08 0.58 -1.14 0.00 0.00 176.83 176.91 3fls h VAL 209 N 0.46 0.70 -0.74 2.27 2.07 -1.23 -0.01 116.25 119.78 3fls h VAL 209 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.73 3fls h VAL 209 Cb 0.44 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 3fls h VAL 209 CO 0.02 0.00 0.37 1.23 0.02 0.00 0.00 177.57 179.20 3fls h GLY 210 N -0.02 1.12 0.97 2.17 0.00 -1.21 0.51 103.07 106.61 3fls h GLY 210 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.24 3fls h GLY 210 CO -0.29 0.04 0.17 0.00 0.00 0.00 0.00 176.54 176.46 3fls h ILE 212 N 0.34 0.99 -0.62 0.00 2.04 -0.01 -2.20 117.51 118.05 3fls h ILE 212 Ca 0.10 -0.40 0.11 0.00 1.00 0.00 0.00 64.86 65.67 3fls h ILE 212 Cb -0.02 1.24 -0.08 0.00 -0.74 0.00 0.00 36.82 37.22 3fls h ILE 212 CO -0.04 0.10 0.20 -0.03 0.00 0.00 0.00 178.15 178.38 3fls h MET 213 N -0.34 0.35 -0.05 2.37 4.05 -0.01 -0.30 114.93 121.00 3fls h MET 213 Ca -0.02 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 3fls h MET 213 Cb 0.28 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 3fls h MET 213 CO 0.03 0.23 -0.13 0.00 0.23 0.00 0.00 176.91 177.27 3fls h ALA 214 N 1.46 -0.11 -0.87 0.39 0.00 -1.22 -1.63 119.26 117.28 3fls h ALA 214 Ca 0.32 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.29 3fls h ALA 214 Cb 0.44 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3fls h ALA 214 CO -0.35 -0.61 0.57 1.49 0.00 0.00 0.00 179.25 180.35 3fls h GLU 215 N -0.19 1.07 -0.34 0.00 4.81 -0.77 -1.45 114.58 117.70 3fls h GLU 215 Ca 0.06 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 3fls h GLU 215 Cb 0.28 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3fls h GLU 215 CO -0.16 0.71 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.67 3fls h LEU 216 N 1.10 0.54 0.04 1.64 3.38 -0.70 0.49 115.31 121.80 3fls h LEU 216 Ca 0.34 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.91 3fls h LEU 216 Cb -0.01 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.61 3fls h LEU 216 CO -0.10 0.66 -1.17 -0.07 0.09 0.00 0.00 178.44 177.85 3fls h LEU 217 N 0.52 0.57 0.00 1.67 3.38 -0.61 -3.25 115.31 117.60 3fls h LEU 217 Ca 0.10 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3fls h LEU 217 Cb 0.45 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fls h LEU 217 CO 0.02 1.39 -1.63 0.35 0.09 0.00 0.00 178.44 178.66 3fls n THR 218 N -3.66 0.00 -0.96 0.22 -2.24 -0.61 -4.65 114.28 102.38 3fls n THR 218 Ca -0.10 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3fls n THR 218 Cb 0.97 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3fls n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fls n GLY 219 N 1.39 0.51 3.24 3.38 0.00 0.17 -4.66 105.19 109.22 3fls n GLY 219 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 3fls n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fls s ARG 220 N -0.39 1.15 0.29 1.61 1.81 -1.19 -4.41 118.95 117.82 3fls s ARG 220 Ca 0.00 -1.01 -0.30 0.00 -1.72 0.00 0.00 55.73 52.70 3fls s ARG 220 Cb 0.00 -1.30 -0.12 0.00 -0.45 0.00 0.00 34.95 33.08 3fls s ARG 220 CO 0.00 0.31 1.53 2.41 -0.68 0.00 0.00 175.30 178.87 3fls n THR 221 N 1.48 1.11 -0.02 0.02 -1.04 -1.26 -3.80 114.28 110.76 3fls n THR 221 Ca -0.19 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 61.42 3fls n THR 221 Cb 0.54 -1.82 -0.10 0.00 -1.82 0.00 0.00 70.33 67.12 3fls n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3fls h LEU 222 N 4.42 -0.04 -5.98 -4.42 5.85 -1.92 -3.40 115.31 109.82 3fls h LEU 222 Ca -0.47 -0.65 -0.59 0.00 0.84 0.00 0.00 57.88 57.01 3fls h LEU 222 Cb 1.24 0.01 -0.42 0.00 0.37 0.00 0.00 40.66 41.86 3fls h LEU 222 CO 0.77 0.67 -0.65 0.49 -0.34 0.00 0.00 178.44 179.38 3fls n PHE 223 N -4.77 3.40 -1.96 1.25 0.99 -1.26 -5.01 117.46 110.10 3fls n PHE 223 Ca -0.09 -4.08 -0.40 0.00 -0.00 0.00 0.00 57.45 52.88 3fls n PHE 223 Cb 0.34 -0.53 -0.02 0.00 -1.00 0.00 0.00 39.48 38.27 3fls n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3fls n PRO 224 N 0.63 2.53 -2.35 -1.08 -0.04 -1.26 -4.71 135.00 128.71 3fls n PRO 224 Ca 0.29 -2.67 -0.41 0.00 -0.04 0.00 0.00 63.50 60.68 3fls n PRO 224 Cb 0.42 -3.36 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 3fls n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3fls s GLY 225 N 4.38 2.89 0.00 0.55 0.00 -1.26 -4.94 107.32 108.94 3fls s GLY 225 Ca 0.55 1.00 0.24 0.00 0.00 0.00 0.00 44.72 46.51 3fls s GLY 225 CO 0.04 1.74 1.80 -1.30 0.00 0.00 0.00 173.10 175.37 3fls n THR 226 N 1.62 0.18 0.00 0.90 -2.24 -1.26 -4.19 114.28 109.29 3fls n THR 226 Ca 0.01 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3fls n THR 226 Cb 0.44 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 3fls n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3fls n ASP 227 N -1.20 0.00 -0.24 3.42 5.68 -1.25 -3.41 116.55 119.55 3fls n ASP 227 Ca 0.13 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.43 3fls n ASP 227 Cb 0.16 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.22 3fls n ASP 227 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3fls h HIS 228 N 0.00 -0.32 -0.17 2.11 3.86 -1.88 0.85 115.15 119.60 3fls h HIS 228 Ca 0.00 0.06 -0.21 0.00 -1.16 0.00 0.00 60.37 59.06 3fls h HIS 228 Cb 0.00 0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.73 3fls h HIS 228 CO 0.00 -0.29 -0.71 0.82 0.86 0.00 0.00 177.93 178.61 3fls h ILE 229 N 0.01 1.28 -0.47 2.45 1.08 -1.99 -1.93 117.51 117.95 3fls h ILE 229 Ca 0.34 -1.91 -0.01 0.00 -0.39 0.00 0.00 64.86 62.89 3fls h ILE 229 Cb 0.53 1.94 -0.02 0.00 -3.07 0.00 0.00 36.82 36.20 3fls h ILE 229 CO -0.70 0.61 0.25 -0.78 -0.69 0.00 0.00 178.15 176.84 3fls h ASP 230 N 0.53 0.60 -0.68 1.72 1.82 -1.80 -2.00 116.42 116.60 3fls h ASP 230 Ca -0.04 -0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.52 3fls h ASP 230 Cb 1.34 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 41.16 3fls h ASP 230 CO 0.15 0.53 0.44 -0.61 -1.61 0.00 0.00 179.24 178.13 3fls h GLN 231 N 0.62 0.85 -0.30 0.28 4.15 -0.78 -1.91 115.11 118.03 3fls h GLN 231 Ca 0.16 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.58 3fls h GLN 231 Cb 0.07 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.53 3fls h GLN 231 CO -0.02 0.56 0.02 1.25 -1.93 0.00 0.00 178.83 178.71 3fls h LEU 232 N 0.88 -0.07 -0.83 -2.39 5.85 -1.13 -1.40 115.31 116.22 3fls h LEU 232 Ca 0.26 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.12 3fls h LEU 232 Cb -0.05 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 3fls h LEU 232 CO -0.08 0.00 0.49 0.11 -0.34 0.00 0.00 178.44 178.62 3fls h LYS 233 N 0.12 0.83 -0.51 1.25 1.57 -0.99 -0.56 116.57 118.27 3fls h LYS 233 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3fls h LYS 233 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3fls h LYS 233 CO -0.22 0.55 0.32 -0.07 -0.57 0.00 0.00 179.45 179.46 3fls h LEU 234 N 0.86 0.60 -0.02 2.94 3.38 -0.82 -1.70 115.31 120.55 3fls h LEU 234 Ca 0.38 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3fls h LEU 234 Cb 0.27 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3fls h LEU 234 CO -0.21 0.46 0.01 0.40 0.09 0.00 0.00 178.44 179.19 3fls h ILE 235 N 0.68 1.05 0.00 1.22 2.04 -0.54 -2.89 117.51 119.08 3fls h ILE 235 Ca 0.18 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 3fls h ILE 235 Cb -0.04 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3fls h ILE 235 CO -0.04 0.04 -0.30 -0.07 0.00 0.00 0.00 178.15 177.79 3fls h LEU 236 N -0.03 0.00 -0.50 1.44 3.38 -1.07 -0.96 115.31 117.56 3fls h LEU 236 Ca 0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fls h LEU 236 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3fls h LEU 236 CO -0.00 0.30 0.32 -0.09 0.09 0.00 0.00 178.44 179.06 3fls h ARG 237 N 0.00 0.64 0.10 1.13 2.43 -1.15 0.11 114.38 117.64 3fls h ARG 237 Ca -0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3fls h ARG 237 Cb 0.63 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3fls h ARG 237 CO 0.04 0.42 -0.05 1.25 -1.51 0.00 0.00 179.97 180.13 3fls h LEU 238 N 0.66 -0.11 -1.06 3.80 5.85 -1.23 -3.39 115.31 119.83 3fls h LEU 238 Ca 0.18 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3fls h LEU 238 Cb -0.07 0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3fls h LEU 238 CO -0.05 0.50 -0.35 1.33 -0.34 0.00 0.00 178.44 179.53 3fls n VAL 239 N -4.85 0.00 0.00 1.05 0.24 -0.41 -0.46 118.33 113.89 3fls n VAL 239 Ca -0.08 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3fls n VAL 239 Cb 0.29 1.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 3fls n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fls n GLY 240 N 1.39 -0.79 3.77 7.63 0.00 0.37 -4.06 105.19 113.50 3fls n GLY 240 Ca 0.11 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 3fls n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fls s THR 241 N -3.12 2.99 0.53 2.61 -4.23 0.61 -4.66 115.64 110.37 3fls s THR 241 Ca 0.00 0.59 -0.21 0.00 -1.18 0.00 0.00 61.69 60.89 3fls s THR 241 Cb 0.00 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 3fls s THR 241 CO 0.00 -0.16 1.25 -2.16 -0.54 0.00 0.00 174.62 173.02 3fls s PRO 242 N -3.41 3.30 0.00 3.99 0.04 -1.26 -4.84 135.00 132.82 3fls s PRO 242 Ca 0.73 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.75 3fls s PRO 242 Cb -0.26 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3fls s PRO 242 CO 0.31 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.78 3fls n GLY 243 N 0.58 0.29 0.20 0.56 0.00 -1.26 -4.92 105.19 100.64 3fls n GLY 243 Ca 0.10 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3fls n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fls h ALA 244 N -1.15 0.44 -0.53 4.61 0.00 -2.00 -2.92 119.26 117.70 3fls h ALA 244 Ca 0.00 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3fls h ALA 244 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3fls h ALA 244 CO 0.00 0.34 0.32 1.49 0.00 0.00 0.00 179.25 181.40 3fls h GLU 245 N 0.41 0.62 -0.32 0.00 4.81 -2.01 -2.82 114.58 115.26 3fls h GLU 245 Ca 0.07 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 3fls h GLU 245 Cb 0.69 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3fls h GLU 245 CO 0.05 0.41 -0.48 1.25 -0.73 0.00 0.00 179.01 179.50 3fls h LEU 246 N 0.64 0.97 -1.49 1.64 5.85 -1.95 -3.18 115.31 117.79 3fls h LEU 246 Ca 0.21 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 58.53 3fls h LEU 246 Cb 0.02 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 3fls h LEU 246 CO -0.09 1.29 0.45 -0.07 -0.34 0.00 0.00 178.44 179.67 3fls h LEU 247 N 0.70 0.53 -1.10 2.25 3.38 -1.36 -1.18 115.31 118.53 3fls h LEU 247 Ca 0.03 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3fls h LEU 247 Cb 1.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3fls h LEU 247 CO 0.11 0.32 -0.29 0.11 0.09 0.00 0.00 178.44 178.78 3fls h LYS 248 N 0.59 0.26 0.00 1.13 1.57 -1.48 -3.07 116.57 115.57 3fls h LYS 248 Ca 0.31 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 3fls h LYS 248 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3fls h LYS 248 CO -0.10 0.54 -0.29 0.87 -0.57 0.00 0.00 179.45 179.90 3fls h LYS 249 N 0.23 0.00 -6.38 3.15 1.57 -1.27 -3.42 116.57 110.46 3fls h LYS 249 Ca 0.03 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.25 3fls h LYS 249 Cb 0.65 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 3fls h LYS 249 CO 0.05 0.29 1.18 0.42 -0.57 0.00 0.00 179.45 180.82 3fls s ILE 250 N -3.30 3.67 0.09 1.86 1.01 -1.10 -4.81 121.20 118.62 3fls s ILE 250 Ca 0.03 0.66 -0.13 0.00 0.00 0.00 0.00 60.65 61.22 3fls s ILE 250 Cb 0.08 -3.93 -0.20 0.00 0.01 0.00 0.00 42.46 38.43 3fls s ILE 250 CO 0.68 -0.61 1.25 0.77 0.00 0.00 0.00 174.94 177.03 3fls h SER 251 N 11.95 0.90 -2.58 3.58 4.64 -1.31 -3.44 113.55 127.30 3fls h SER 251 Ca -0.30 -0.66 -0.54 0.00 -0.47 0.00 0.00 61.79 59.81 3fls h SER 251 Cb 1.14 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3fls h SER 251 CO 1.07 1.46 1.10 -0.55 -0.87 0.00 0.00 176.83 179.04 3fls s SER 252 N -7.20 6.61 0.15 4.97 0.15 -1.19 -4.91 113.70 112.29 3fls s SER 252 Ca -0.10 2.38 -0.06 0.00 0.70 0.00 0.00 55.95 58.87 3fls s SER 252 Cb 0.08 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 3fls s SER 252 CO 0.91 -0.94 1.39 -0.08 1.20 0.00 0.00 173.24 175.72 3fls h GLU 253 N 9.48 0.58 -0.11 5.44 4.81 -1.95 -2.05 114.58 130.78 3fls h GLU 253 Ca -0.42 -0.46 0.03 0.00 -0.13 0.00 0.00 59.36 58.38 3fls h GLU 253 Cb 1.19 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 3fls h GLU 253 CO 0.95 1.08 -0.07 1.03 -0.73 0.00 0.00 179.01 181.27 3fls h SER 254 N 0.40 -0.22 -0.37 1.04 0.87 -1.98 0.45 113.55 113.75 3fls h SER 254 Ca -0.03 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3fls h SER 254 Cb 1.32 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 3fls h SER 254 CO 0.14 -0.09 0.22 0.00 -0.53 0.00 0.00 176.83 176.57 3fls h ALA 255 N 1.03 0.47 -0.40 6.23 0.00 -1.93 -0.94 119.26 123.72 3fls h ALA 255 Ca 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3fls h ALA 255 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fls h ALA 255 CO -0.15 -0.03 0.25 -0.09 0.00 0.00 0.00 179.25 179.22 3fls h ARG 256 N 0.48 0.49 -0.75 0.00 2.43 -1.20 -1.60 114.38 114.23 3fls h ARG 256 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3fls h ARG 256 Cb 0.01 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3fls h ARG 256 CO -0.02 0.32 0.42 -0.97 -1.51 0.00 0.00 179.97 178.21 3fls h ASN 257 N 0.50 0.91 -0.28 -3.80 -0.73 -0.73 -2.08 115.58 109.37 3fls h ASN 257 Ca 0.15 -0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.20 3fls h ASN 257 Cb -0.02 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.33 3fls h ASN 257 CO -0.06 0.72 -0.06 0.22 -0.37 0.00 0.00 177.43 177.89 3fls h TYR 258 N 1.03 0.59 -0.65 0.67 3.20 -0.60 -2.89 116.97 118.32 3fls h TYR 258 Ca 0.27 -0.12 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3fls h TYR 258 Cb 0.00 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3fls h TYR 258 CO 0.01 0.72 0.43 0.82 -1.64 0.00 0.00 178.16 178.50 3fls h ILE 259 N 0.29 1.17 0.00 1.81 1.08 -1.21 -1.18 117.51 119.47 3fls h ILE 259 Ca 0.07 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3fls h ILE 259 Cb 0.53 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 3fls h ILE 259 CO 0.03 0.16 0.00 0.00 -0.69 0.00 0.00 178.15 177.65 3fls n GLN 260 N -4.63 0.07 0.08 2.37 6.02 -0.79 -0.35 117.38 120.14 3fls n GLN 260 Ca 0.05 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.38 3fls n GLN 260 Cb 0.02 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 29.93 3fls n GLN 260 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fls h SER 261 N 0.00 0.00 -3.38 1.08 4.64 -1.00 -3.48 113.55 111.42 3fls h SER 261 Ca 0.00 -0.16 -0.55 0.00 -0.47 0.00 0.00 61.79 60.60 3fls h SER 261 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 3fls h SER 261 CO 0.00 0.08 0.09 -0.76 -0.87 0.00 0.00 176.83 175.37 3fls s LEU 262 N -4.51 4.41 0.14 5.97 1.43 0.52 -5.00 118.68 121.64 3fls s LEU 262 Ca 0.05 1.30 -0.34 0.00 -1.03 0.00 0.00 54.13 54.12 3fls s LEU 262 Cb 0.12 -3.10 -0.14 0.00 0.03 0.00 0.00 46.19 43.10 3fls s LEU 262 CO 0.73 0.02 1.59 0.41 0.23 0.00 0.00 176.35 179.33 3fls n THR 263 N 2.97 0.04 -1.87 5.49 -1.04 -1.26 -4.89 114.28 113.71 3fls n THR 263 Ca -0.04 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 3fls n THR 263 Cb 0.51 -1.54 -0.02 0.00 -1.82 0.00 0.00 70.33 67.46 3fls n THR 263 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3fls s GLN 264 N 1.11 4.17 -0.01 -2.82 -0.21 -1.26 -4.92 119.66 115.72 3fls s GLN 264 Ca 0.80 2.48 0.02 0.00 0.02 0.00 0.00 55.36 58.67 3fls s GLN 264 Cb -0.69 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.28 3fls s GLN 264 CO 0.39 -0.53 -0.06 -1.64 -2.12 0.00 0.00 175.29 171.33 3fls s MET 265 N -0.85 0.59 0.34 2.91 -1.94 -1.26 -4.96 119.30 114.13 3fls s MET 265 Ca 0.59 -0.20 -0.14 0.00 -1.71 0.00 0.00 55.69 54.23 3fls s MET 265 Cb -0.45 -0.58 -0.08 0.00 2.01 0.00 0.00 34.83 35.73 3fls s MET 265 CO 0.50 0.09 0.74 -1.25 -0.01 0.00 0.00 175.02 175.09 3fls s PRO 266 N 0.08 3.94 0.35 2.03 0.04 -1.26 -0.28 135.00 139.90 3fls s PRO 266 Ca -0.01 0.61 -0.27 0.00 0.04 0.00 0.00 61.00 61.38 3fls s PRO 266 Cb -0.05 -2.42 -0.12 0.00 0.04 0.00 0.00 34.50 31.94 3fls s PRO 266 CO -0.00 0.11 1.11 1.17 0.04 0.00 0.00 177.00 179.43 3fls n LYS 267 N -0.59 1.63 -2.27 4.56 4.81 -1.26 -4.10 118.16 120.95 3fls n LYS 267 Ca 0.03 0.58 -0.26 0.00 -0.87 0.00 0.00 58.31 57.79 3fls n LYS 267 Cb 0.53 -2.09 0.05 0.00 0.02 0.00 0.00 35.03 33.55 3fls n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3fls s MET 268 N -1.84 2.48 -0.47 1.64 -1.94 0.39 -4.89 119.30 114.67 3fls s MET 268 Ca 0.59 -0.16 -0.27 0.00 -1.71 0.00 0.00 55.69 54.14 3fls s MET 268 Cb -0.60 -2.21 0.03 0.00 2.01 0.00 0.00 34.83 34.06 3fls s MET 268 CO 0.60 -1.03 0.99 1.21 -0.01 0.00 0.00 175.02 176.78 3fls s ASN 269 N -4.44 6.54 0.40 3.03 3.84 -1.26 -4.93 114.94 118.12 3fls s ASN 269 Ca 0.58 0.22 0.09 0.00 0.21 0.00 0.00 52.86 53.96 3fls s ASN 269 Cb -0.11 -2.48 0.82 0.00 -0.55 0.00 0.00 41.25 38.94 3fls s ASN 269 CO 0.45 -1.12 1.96 -0.26 -2.79 0.00 0.00 177.10 175.34 3fls h PHE 270 N 9.14 0.32 -0.61 0.43 -1.00 -1.96 -1.81 116.94 121.44 3fls h PHE 270 Ca -0.24 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.56 3fls h PHE 270 Cb 1.07 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.50 3fls h PHE 270 CO 0.91 0.35 0.40 0.00 -1.61 0.00 0.00 178.31 178.35 3fls h ALA 271 N 1.68 1.68 0.00 2.45 0.00 -1.92 0.23 119.26 123.39 3fls h ALA 271 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fls h ALA 271 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fls h ALA 271 CO 0.01 0.25 -0.10 -0.91 0.00 0.00 0.00 179.25 178.49 3fls h ASN 272 N 0.71 0.00 0.00 0.00 -0.26 -1.76 -3.27 115.58 111.00 3fls h ASN 272 Ca 0.25 -0.02 -0.11 0.00 -0.56 0.00 0.00 56.30 55.86 3fls h ASN 272 Cb 0.10 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 3fls h ASN 272 CO -0.07 0.01 -0.67 0.58 -1.06 0.00 0.00 177.43 176.22 3fls h VAL 273 N 0.00 0.98 -2.04 2.81 2.07 -0.89 -3.38 116.25 115.79 3fls h VAL 273 Ca 0.00 -1.97 -0.79 0.00 0.82 0.00 0.00 66.70 64.76 3fls h VAL 273 Cb 0.87 2.08 -0.23 0.00 -1.52 0.00 0.00 31.29 32.50 3fls h VAL 273 CO 0.00 0.33 1.41 0.49 0.02 0.00 0.00 177.57 179.83 3fls n PHE 274 N -4.54 2.63 -1.66 1.57 3.01 -0.02 -5.01 117.46 113.44 3fls n PHE 274 Ca -0.19 -2.64 -0.46 0.00 1.01 0.00 0.00 57.45 55.16 3fls n PHE 274 Cb 0.51 -1.43 -0.04 0.00 -0.01 0.00 0.00 39.48 38.51 3fls n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3fls n ILE 275 N 0.96 0.45 -0.22 4.37 5.41 -1.23 -2.47 119.36 126.63 3fls n ILE 275 Ca 0.46 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 64.09 3fls n ILE 275 Cb 0.28 -1.43 0.00 0.00 -0.71 0.00 0.00 39.64 37.78 3fls n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fls n GLY 276 N 2.74 1.60 3.80 7.39 0.00 -1.26 -5.03 105.19 114.43 3fls n GLY 276 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3fls n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fls s ALA 277 N -2.89 3.27 -0.48 4.61 0.00 -1.03 -4.98 121.76 120.26 3fls s ALA 277 Ca 0.00 0.37 -0.45 0.00 0.00 0.00 0.00 51.96 51.88 3fls s ALA 277 Cb 0.00 -3.04 -0.19 0.00 0.00 0.00 0.00 23.12 19.89 3fls s ALA 277 CO 0.00 0.23 1.60 -1.71 0.00 0.00 0.00 175.76 175.88 3fls n ASN 278 N 0.46 1.10 0.33 0.00 2.85 -1.26 -4.82 115.26 113.92 3fls n ASN 278 Ca 0.01 1.08 0.21 0.00 -0.11 0.00 0.00 54.58 55.77 3fls n ASN 278 Cb 0.51 -0.85 1.11 0.00 1.24 0.00 0.00 39.78 41.80 3fls n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fls h PRO 279 N 5.27 0.00 -0.13 1.20 0.11 -1.97 -0.57 132.00 135.91 3fls h PRO 279 Ca -0.38 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.54 3fls h PRO 279 Cb 1.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.44 3fls h PRO 279 CO 0.95 0.00 -0.67 -0.07 -0.21 0.00 0.00 178.00 178.00 3fls h LEU 280 N 0.00 0.82 -0.20 2.35 3.38 -1.99 -2.14 115.31 117.52 3fls h LEU 280 Ca 0.00 -0.64 0.05 0.00 0.09 0.00 0.00 57.88 57.39 3fls h LEU 280 Cb 0.15 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3fls h LEU 280 CO -0.00 1.32 -0.19 0.00 0.09 0.00 0.00 178.44 179.67 3fls h ALA 281 N 0.52 -0.07 -0.11 1.53 0.00 -1.48 -0.52 119.26 119.13 3fls h ALA 281 Ca -0.05 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3fls h ALA 281 Cb 1.31 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 3fls h ALA 281 CO 0.14 -0.62 -0.11 0.28 0.00 0.00 0.00 179.25 178.94 3fls h VAL 282 N -0.20 0.69 -0.35 0.00 2.07 -1.43 0.11 116.25 117.14 3fls h VAL 282 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 3fls h VAL 282 Cb 0.39 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3fls h VAL 282 CO -0.32 0.00 -0.01 -0.78 0.02 0.00 0.00 177.57 176.48 3fls h ASP 283 N -0.13 -0.16 -0.58 0.57 3.58 -1.17 -0.34 116.42 118.19 3fls h ASP 283 Ca 0.08 0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.65 3fls h ASP 283 Cb 0.25 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 3fls h ASP 283 CO -0.19 -0.04 0.34 0.25 -2.88 0.00 0.00 179.24 176.72 3fls h LEU 284 N 0.09 0.54 -1.00 2.28 5.85 -0.66 -2.34 115.31 120.07 3fls h LEU 284 Ca 0.17 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.95 3fls h LEU 284 Cb 0.23 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3fls h LEU 284 CO -0.29 0.37 0.65 -0.07 -0.34 0.00 0.00 178.44 178.76 3fls h LEU 285 N 0.67 1.06 -1.40 2.25 3.38 -0.03 -1.59 115.31 119.64 3fls h LEU 285 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3fls h LEU 285 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3fls h LEU 285 CO -0.12 0.70 -0.30 -0.33 0.09 0.00 0.00 178.44 178.48 3fls h GLU 286 N 1.21 0.00 0.00 1.13 5.08 -0.57 -0.37 114.58 121.06 3fls h GLU 286 Ca 0.42 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.69 3fls h GLU 286 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3fls h GLU 286 CO -0.15 0.30 -0.76 0.87 -1.00 0.00 0.00 179.01 178.26 3fls h LYS 287 N 0.00 0.00 0.19 2.33 1.57 -0.93 -3.33 116.57 116.40 3fls h LYS 287 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 3fls h LYS 287 Cb 0.55 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.87 3fls h LYS 287 CO 0.04 0.28 -1.67 0.52 -0.57 0.00 0.00 179.45 178.05 3fls h MET 288 N 0.00 0.41 -2.50 3.15 2.86 -1.04 -2.17 114.93 115.63 3fls h MET 288 Ca -0.05 -0.70 -0.77 0.00 -2.06 0.00 0.00 59.70 56.12 3fls h MET 288 Cb 1.32 0.26 -0.19 0.00 0.06 0.00 0.00 31.60 33.05 3fls h MET 288 CO 0.04 1.33 1.75 1.28 1.06 0.00 0.00 176.91 182.38 3fls n LEU 289 N -3.65 7.66 -4.44 1.22 4.77 -0.17 -4.42 117.00 117.97 3fls n LEU 289 Ca -0.24 -5.11 -0.33 0.00 -0.03 0.00 0.00 56.01 50.30 3fls n LEU 289 Cb 1.06 -1.28 -0.13 0.00 -2.33 0.00 0.00 43.42 40.74 3fls n LEU 289 CO 0.52 2.02 -0.39 -0.69 -1.33 0.00 0.00 177.39 177.52 3fls s VAL 290 N -2.53 3.54 0.08 4.08 1.01 -1.26 -4.91 120.40 120.42 3fls s VAL 290 Ca 0.46 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 3fls s VAL 290 Cb 0.18 -2.54 -0.16 0.00 0.00 0.00 0.00 36.38 33.87 3fls s VAL 290 CO -0.10 0.50 1.71 0.25 0.00 0.00 0.00 175.10 177.46 3fls h LEU 291 N 6.80 -0.08 -8.82 3.92 5.85 -1.91 -3.40 115.31 117.67 3fls h LEU 291 Ca -0.30 -0.01 -0.57 0.00 0.84 0.00 0.00 57.88 57.84 3fls h LEU 291 Cb 1.20 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 3fls h LEU 291 CO 0.60 -0.04 1.06 -0.62 -0.34 0.00 0.00 178.44 179.10 3fls s ASP 292 N -5.12 6.37 0.59 1.25 3.68 -1.26 -4.91 116.67 117.27 3fls s ASP 292 Ca -0.14 0.90 0.29 0.00 2.13 0.00 0.00 52.55 55.73 3fls s ASP 292 Cb 0.06 -2.54 1.77 0.00 -1.45 0.00 0.00 42.92 40.76 3fls s ASP 292 CO 0.66 -1.39 2.21 0.77 0.13 0.00 0.00 175.17 177.54 3fls h SER 293 N 10.57 0.00 0.63 -0.34 4.64 -1.98 -1.29 113.55 125.79 3fls h SER 293 Ca -0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.02 3fls h SER 293 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3fls h SER 293 CO 1.08 0.00 -0.11 0.44 -0.87 0.00 0.00 176.83 177.36 3fls h ASP 294 N 0.00 0.00 -0.02 4.97 3.45 -1.95 -3.19 116.42 119.68 3fls h ASP 294 Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3fls h ASP 294 Cb 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3fls h ASP 294 CO -0.00 0.11 -0.25 0.29 -1.57 0.00 0.00 179.24 177.83 3fls n LYS 295 N -3.39 1.58 -2.35 3.56 5.02 -0.49 -4.96 118.16 117.13 3fls n LYS 295 Ca -0.01 -1.10 -0.37 0.00 -2.02 0.00 0.00 58.31 54.81 3fls n LYS 295 Cb 0.29 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 3fls n LYS 295 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3fls s ARG 296 N -1.88 3.90 0.47 1.97 3.52 -1.17 -4.99 118.95 120.77 3fls s ARG 296 Ca 0.17 1.70 -0.23 0.00 -0.13 0.00 0.00 55.73 57.23 3fls s ARG 296 Cb 0.15 -2.46 -0.07 0.00 -1.56 0.00 0.00 34.95 31.00 3fls s ARG 296 CO 0.37 -0.41 1.25 -1.50 -0.81 0.00 0.00 175.30 174.20 3fls s ILE 297 N -1.58 2.72 0.60 4.11 2.07 -0.82 -5.05 121.20 123.25 3fls s ILE 297 Ca 0.61 0.56 -0.03 0.00 -1.41 0.00 0.00 60.65 60.38 3fls s ILE 297 Cb -0.27 -3.30 0.03 0.00 0.13 0.00 0.00 42.46 39.06 3fls s ILE 297 CO 0.33 0.02 0.87 0.42 -1.91 0.00 0.00 174.94 174.67 3fls s THR 298 N -1.41 3.00 0.19 4.00 -4.23 -1.26 -4.90 115.64 111.03 3fls s THR 298 Ca 0.64 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 3fls s THR 298 Cb -0.34 -3.19 0.11 0.00 1.34 0.00 0.00 72.50 70.42 3fls s THR 298 CO 0.42 -0.17 1.77 0.00 -0.54 0.00 0.00 174.62 176.09 3fls h ALA 299 N -0.16 0.87 0.19 3.99 0.00 -1.94 0.20 119.26 122.41 3fls h ALA 299 Ca -0.44 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.33 3fls h ALA 299 Cb 1.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3fls h ALA 299 CO 0.58 0.45 -0.29 0.00 0.00 0.00 0.00 179.25 179.99 3fls h ALA 300 N 1.14 -0.54 -0.83 0.00 0.00 -1.94 -1.11 119.26 115.98 3fls h ALA 300 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3fls h ALA 300 Cb 0.14 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3fls h ALA 300 CO -0.03 -0.85 0.41 1.96 0.00 0.00 0.00 179.25 180.74 3fls h GLN 301 N -0.55 1.19 -0.10 0.00 4.20 -1.91 -2.73 115.11 115.22 3fls h GLN 301 Ca 0.01 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 3fls h GLN 301 Cb 0.55 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3fls h GLN 301 CO -0.13 0.91 -0.20 0.00 -0.67 0.00 0.00 178.83 178.75 3fls h ALA 302 N 1.22 1.49 0.00 3.87 0.00 -0.41 -2.48 119.26 122.94 3fls h ALA 302 Ca 0.29 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3fls h ALA 302 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fls h ALA 302 CO -0.04 0.37 -0.28 -0.07 0.00 0.00 0.00 179.25 179.23 3fls h LEU 303 N 0.15 0.00 -1.22 0.00 3.38 -0.88 -2.37 115.31 114.37 3fls h LEU 303 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3fls h LEU 303 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fls h LEU 303 CO 0.03 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.84 3fls n ALA 304 N -2.36 2.53 -1.76 1.53 0.00 -0.95 -4.76 120.51 114.74 3fls n ALA 304 Ca -0.01 -0.55 -0.37 0.00 0.00 0.00 0.00 53.44 52.51 3fls n ALA 304 Cb 0.38 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 18.76 3fls n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fls s HIS 305 N -1.86 2.67 0.53 0.00 5.04 -0.89 -4.93 115.29 115.84 3fls s HIS 305 Ca 0.35 1.48 0.21 0.00 -1.54 0.00 0.00 55.06 55.55 3fls s HIS 305 Cb 0.19 -3.53 1.35 0.00 0.04 0.00 0.00 32.58 30.64 3fls s HIS 305 CO 0.30 -2.00 2.08 0.00 -2.34 0.00 0.00 174.74 172.78 3fls h ALA 306 N 1.84 2.22 -1.07 1.58 0.00 -1.91 -2.76 119.26 119.15 3fls h ALA 306 Ca -0.50 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 54.70 3fls h ALA 306 Cb 1.27 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3fls h ALA 306 CO 0.59 -0.31 0.74 -0.92 0.00 0.00 0.00 179.25 179.35 3fls h TYR 307 N 0.00 0.26 -0.54 0.00 3.20 -1.92 -2.02 116.97 115.95 3fls h TYR 307 Ca 0.12 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 3fls h TYR 307 Cb 0.48 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.57 3fls h TYR 307 CO 0.00 0.03 0.15 1.19 -1.64 0.00 0.00 178.16 177.88 3fls n PHE 308 N -4.37 1.80 -0.00 -3.82 3.01 -1.04 -4.76 117.46 108.27 3fls n PHE 308 Ca 0.24 -1.25 0.17 0.00 1.01 0.00 0.00 57.45 57.62 3fls n PHE 308 Cb 1.04 -0.57 0.64 0.00 -0.01 0.00 0.00 39.48 40.59 3fls n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fls h ALA 309 N 1.96 2.35 0.00 4.37 0.00 -1.53 0.10 119.26 126.50 3fls h ALA 309 Ca 0.21 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3fls h ALA 309 Cb 1.99 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 3fls h ALA 309 CO 0.55 -0.49 -0.21 -0.56 0.00 0.00 0.00 179.25 178.54 3fls h GLN 310 N 0.10 0.00 0.00 0.00 3.07 -1.86 -3.35 115.11 113.08 3fls h GLN 310 Ca 0.24 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.87 3fls h GLN 310 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.37 3fls h GLN 310 CO -0.03 0.21 -1.79 0.66 0.09 0.00 0.00 178.83 177.98 3fls n TYR 311 N -3.18 0.00 -2.07 0.06 4.02 -0.31 -5.00 117.16 110.69 3fls n TYR 311 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 3fls n TYR 311 Cb 0.59 -0.49 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 3fls n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3fls s HIS 312 N -2.67 2.09 -0.20 -0.72 2.46 0.20 -4.99 115.29 111.46 3fls s HIS 312 Ca -0.06 0.35 -0.04 0.00 0.47 0.00 0.00 55.06 55.78 3fls s HIS 312 Cb 0.07 -3.87 0.07 0.00 -0.13 0.00 0.00 32.58 28.71 3fls s HIS 312 CO 0.57 -3.45 0.09 0.34 -2.47 0.00 0.00 174.74 169.82 3fls s ASP 313 N 3.37 2.71 0.59 9.88 3.68 -1.26 -4.98 116.67 130.67 3fls s ASP 313 Ca 0.71 -0.80 0.32 0.00 2.13 0.00 0.00 52.55 54.91 3fls s ASP 313 Cb -0.31 -0.35 1.86 0.00 -1.45 0.00 0.00 42.92 42.67 3fls s ASP 313 CO 0.28 -0.36 2.25 -0.65 0.13 0.00 0.00 175.17 176.82 3fls h PRO 314 N 8.37 0.00 -0.01 4.34 0.11 -1.97 -1.09 132.00 141.75 3fls h PRO 314 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3fls h PRO 314 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fls h PRO 314 CO 0.33 0.02 -0.09 -0.25 -0.21 0.00 0.00 178.00 177.80 3fls n ASP 315 N -3.70 1.29 -1.55 -2.05 9.92 -1.26 -3.96 116.55 115.24 3fls n ASP 315 Ca -0.03 -1.26 -0.07 0.00 -0.53 0.00 0.00 54.79 52.90 3fls n ASP 315 Cb 0.10 0.04 0.09 0.00 -0.64 0.00 0.00 41.12 40.72 3fls n ASP 315 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3fls n ASP 316 N -0.15 2.89 -3.28 -2.24 2.03 -0.41 -4.85 116.55 110.54 3fls n ASP 316 Ca 0.17 -3.39 -0.25 0.00 0.52 0.00 0.00 54.79 51.83 3fls n ASP 316 Cb 0.35 -0.42 -0.08 0.00 -0.72 0.00 0.00 41.12 40.25 3fls n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3fls n GLU 317 N -0.71 0.92 -1.28 -0.67 1.02 -1.23 -4.91 120.64 113.78 3fls n GLU 317 Ca 0.26 -3.47 -0.31 0.00 -0.02 0.00 0.00 57.16 53.62 3fls n GLU 317 Cb 0.87 -1.48 0.09 0.00 -0.02 0.00 0.00 31.44 30.90 3fls n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fls s PRO 318 N -1.16 2.22 0.25 3.49 0.04 -1.26 -4.95 135.00 133.63 3fls s PRO 318 Ca 0.35 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.68 3fls s PRO 318 Cb 0.14 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.76 3fls s PRO 318 CO -0.11 -1.68 0.33 0.14 0.04 0.00 0.00 177.00 175.72 3fls s VAL 319 N -2.79 4.93 0.51 -0.36 -7.23 -1.26 -4.04 120.40 110.15 3fls s VAL 319 Ca 0.63 -1.09 -0.12 0.00 -1.81 0.00 0.00 61.98 59.58 3fls s VAL 319 Cb -0.18 -3.70 -0.06 0.00 0.56 0.00 0.00 36.38 33.00 3fls s VAL 319 CO 0.54 -0.31 0.92 0.00 -0.31 0.00 0.00 175.10 175.93 3fls s ALA 320 N -2.04 3.19 0.80 1.32 0.00 -1.25 -5.01 121.76 118.78 3fls s ALA 320 Ca 0.35 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 3fls s ALA 320 Cb -0.09 -2.93 0.08 0.00 0.00 0.00 0.00 23.12 20.18 3fls s ALA 320 CO 0.28 -0.31 1.13 -0.51 0.00 0.00 0.00 175.76 176.35 3fls s ASP 321 N -3.52 3.97 0.27 0.00 -0.00 -1.26 -4.73 116.67 111.41 3fls s ASP 321 Ca 0.54 2.06 -0.31 0.00 -0.00 0.00 0.00 52.55 54.85 3fls s ASP 321 Cb -0.10 -2.55 -0.12 0.00 -0.00 0.00 0.00 42.92 40.15 3fls s ASP 321 CO 0.39 -2.40 1.60 -2.65 -0.00 0.00 0.00 175.17 172.11 3fls n PRO 322 N -3.51 2.64 -3.74 8.23 -0.02 -1.26 -4.74 135.00 132.60 3fls n PRO 322 Ca 0.11 0.94 -0.37 0.00 -2.02 0.00 0.00 63.50 62.16 3fls n PRO 322 Cb 0.52 -2.72 -0.12 0.00 -0.02 0.00 0.00 33.50 31.15 3fls n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fls s TYR 323 N 0.21 3.12 -0.53 6.00 5.04 -1.26 -5.06 117.35 124.87 3fls s TYR 323 Ca 0.67 -0.65 -0.22 0.00 -2.44 0.00 0.00 57.07 54.43 3fls s TYR 323 Cb -0.52 -2.27 0.05 0.00 0.35 0.00 0.00 41.96 39.57 3fls s TYR 323 CO 0.46 -0.46 0.81 0.34 -1.34 0.00 0.00 175.55 175.36 3fls s ASP 324 N 1.58 6.30 -0.38 4.32 -1.08 -1.26 -4.89 116.67 121.26 3fls s ASP 324 Ca 0.05 -0.55 0.05 0.00 -0.52 0.00 0.00 52.55 51.58 3fls s ASP 324 Cb -0.16 -2.38 0.47 0.00 -1.46 0.00 0.00 42.92 39.39 3fls s ASP 324 CO 0.04 -1.08 1.44 0.00 0.52 0.00 0.00 175.17 176.09 3fls n GLN 325 N 6.93 2.98 0.29 4.34 10.64 -1.26 -4.67 117.38 136.62 3fls n GLN 325 Ca -0.01 -3.74 0.15 0.00 -1.83 0.00 0.00 57.00 51.56 3fls n GLN 325 Cb 0.47 -2.17 0.85 0.00 -0.86 0.00 0.00 30.24 28.53 3fls n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fls h SER 326 N 1.86 0.00 0.08 2.61 4.64 -2.03 -2.15 113.55 118.57 3fls h SER 326 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 3fls h SER 326 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3fls h SER 326 CO 0.86 0.06 -0.05 2.19 -0.87 0.00 0.00 176.83 179.02 3fls h PHE 327 N 0.00 0.00 -0.22 4.77 -5.15 -1.96 -3.12 116.94 111.26 3fls h PHE 327 Ca -0.00 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.79 3fls h PHE 327 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.36 3fls h PHE 327 CO 0.00 0.05 0.15 0.93 -2.00 0.00 0.00 178.31 177.44 3fls h GLU 328 N 0.00 0.20 -0.45 6.09 4.39 -1.77 -1.08 114.58 121.95 3fls h GLU 328 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3fls h GLU 328 Cb 0.10 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3fls h GLU 328 CO 0.01 0.13 0.00 -1.13 -1.16 0.00 0.00 179.01 176.86 3fls n SER 329 N -4.50 4.86 -4.67 1.42 3.41 -1.18 -4.96 113.62 108.01 3fls n SER 329 Ca 0.01 -2.91 -0.35 0.00 -0.26 0.00 0.00 58.87 55.36 3fls n SER 329 Cb 0.15 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 63.39 3fls n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3fls s ARG 330 N -2.68 3.43 -0.39 4.33 3.52 -0.41 -5.08 118.95 121.67 3fls s ARG 330 Ca 0.49 -0.37 -0.11 0.00 -0.13 0.00 0.00 55.73 55.61 3fls s ARG 330 Cb 0.37 -2.98 0.04 0.00 -1.56 0.00 0.00 34.95 30.82 3fls s ARG 330 CO 0.14 0.53 0.23 -0.51 -0.81 0.00 0.00 175.30 174.88 3fls s ASP 331 N -0.37 5.78 0.37 -2.12 1.01 -1.26 -5.02 116.67 115.07 3fls s ASP 331 Ca 0.08 -1.08 0.08 0.00 0.71 0.00 0.00 52.55 52.34 3fls s ASP 331 Cb -0.12 -2.04 -0.06 0.00 1.01 0.00 0.00 42.92 41.70 3fls s ASP 331 CO 0.02 -0.43 0.00 -0.76 0.21 0.00 0.00 175.17 174.21 3fls s LEU 332 N 1.55 2.90 0.54 1.23 1.43 -1.26 -5.15 118.68 119.92 3fls s LEU 332 Ca 0.02 -1.18 -0.10 0.00 -1.03 0.00 0.00 54.13 51.85 3fls s LEU 332 Cb -0.20 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 3fls s LEU 332 CO 0.06 -0.33 0.92 -0.76 0.23 0.00 0.00 176.35 176.47 3fls s LEU 333 N -3.71 3.46 0.20 1.79 1.43 -1.26 -4.88 118.68 115.71 3fls s LEU 333 Ca 0.35 1.24 -0.17 0.00 -1.03 0.00 0.00 54.13 54.52 3fls s LEU 333 Cb 0.04 -4.23 0.18 0.00 0.03 0.00 0.00 46.19 42.22 3fls s LEU 333 CO 0.19 -0.70 1.61 0.40 0.23 0.00 0.00 176.35 178.08 3fls h ILE 334 N 0.13 0.28 -0.96 -0.59 2.04 -1.92 0.40 117.51 116.89 3fls h ILE 334 Ca -0.46 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.55 3fls h ILE 334 Cb 1.19 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.48 3fls h ILE 334 CO 0.62 0.00 0.61 0.44 0.00 0.00 0.00 178.15 179.82 3fls h ASP 335 N -0.08 0.79 -0.15 1.72 3.45 -1.97 0.14 116.42 120.32 3fls h ASP 335 Ca 0.27 0.05 -0.10 0.00 0.43 0.00 0.00 57.03 57.69 3fls h ASP 335 Cb 0.50 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 3fls h ASP 335 CO -0.65 0.38 -0.29 -0.33 -1.57 0.00 0.00 179.24 176.79 3fls h GLU 336 N 0.83 0.46 -0.72 3.56 5.08 -1.35 -1.11 114.58 121.33 3fls h GLU 336 Ca 0.50 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3fls h GLU 336 Cb 0.68 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 3fls h GLU 336 CO -0.26 0.90 0.43 -1.49 -1.00 0.00 0.00 179.01 177.58 3fls h TRP 337 N 0.07 0.79 -0.61 4.33 4.06 -0.56 -1.86 115.95 122.18 3fls h TRP 337 Ca 0.01 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.01 3fls h TRP 337 Cb 0.88 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.75 3fls h TRP 337 CO 0.10 0.41 0.36 -0.22 -3.56 0.00 0.00 178.44 175.53 3fls h LYS 338 N 0.80 0.68 -0.28 0.49 3.64 -0.67 -1.45 116.57 119.79 3fls h LYS 338 Ca 0.31 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 3fls h LYS 338 Cb 0.12 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3fls h LYS 338 CO -0.15 0.45 0.02 1.03 -2.27 0.00 0.00 179.45 178.53 3fls h SER 339 N 0.70 0.46 -0.76 4.20 0.87 -0.89 -0.31 113.55 117.83 3fls h SER 339 Ca 0.25 -0.29 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3fls h SER 339 Cb 0.06 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.84 3fls h SER 339 CO -0.12 0.64 0.47 -0.07 -0.53 0.00 0.00 176.83 177.22 3fls h LEU 340 N 0.28 0.75 -0.44 2.23 3.38 -1.25 -2.20 115.31 118.06 3fls h LEU 340 Ca 0.08 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3fls h LEU 340 Cb 0.39 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3fls h LEU 340 CO 0.01 0.50 0.06 0.74 0.09 0.00 0.00 178.44 179.84 3fls h THR 341 N 0.89 1.25 -0.79 0.22 2.02 -0.96 -2.62 112.91 112.91 3fls h THR 341 Ca 0.32 -0.92 0.05 0.00 0.77 0.00 0.00 66.41 66.62 3fls h THR 341 Cb 0.09 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.44 3fls h THR 341 CO -0.14 0.32 0.49 0.22 0.37 0.00 0.00 175.52 176.78 3fls h TYR 342 N 0.59 0.91 -0.79 3.16 3.20 -0.85 -0.90 116.97 122.28 3fls h TYR 342 Ca 0.13 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3fls h TYR 342 Cb 0.40 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3fls h TYR 342 CO 0.03 0.49 0.46 -0.44 -1.64 0.00 0.00 178.16 177.05 3fls h ASP 343 N 0.92 0.97 -0.60 -2.11 3.32 -1.24 -1.19 116.42 116.49 3fls h ASP 343 Ca 0.33 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 3fls h ASP 343 Cb 0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3fls h ASP 343 CO -0.15 0.77 0.05 -0.33 -1.72 0.00 0.00 179.24 177.86 3fls h GLU 344 N 1.09 1.02 0.06 3.56 4.39 -1.04 -1.98 114.58 121.68 3fls h GLU 344 Ca 0.28 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3fls h GLU 344 Cb -0.01 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3fls h GLU 344 CO -0.05 0.99 -0.03 0.28 -1.16 0.00 0.00 179.01 179.04 3fls h VAL 345 N 0.92 0.94 -0.23 3.13 2.07 -0.94 -2.89 116.25 119.25 3fls h VAL 345 Ca 0.17 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3fls h VAL 345 Cb 0.49 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3fls h VAL 345 CO 0.02 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.92 3fls h ILE 346 N -0.08 1.19 0.00 4.57 1.08 -1.15 -2.92 117.51 120.20 3fls h ILE 346 Ca -0.01 -0.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 3fls h ILE 346 Cb 0.06 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 3fls h ILE 346 CO 0.01 0.27 -0.53 -1.54 -0.69 0.00 0.00 178.15 175.67 3fls n SER 347 N -4.26 0.53 -4.71 1.72 3.41 -0.75 -4.95 113.62 104.61 3fls n SER 347 Ca 0.00 -0.28 -0.43 0.00 -0.26 0.00 0.00 58.87 57.90 3fls n SER 347 Cb 0.27 0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 3fls n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3fls n PHE 348 N -1.52 2.46 -4.26 7.33 7.35 -1.10 -4.99 117.46 122.74 3fls n PHE 348 Ca 0.05 0.44 -0.33 0.00 -0.76 0.00 0.00 57.45 56.85 3fls n PHE 348 Cb 0.34 -2.48 -0.16 0.00 0.35 0.00 0.00 39.48 37.53 3fls n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3fls s VAL 349 N -0.56 2.40 0.38 -2.13 1.01 -1.26 -5.06 120.40 115.18 3fls s VAL 349 Ca 0.61 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 3fls s VAL 349 Cb -0.56 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.70 3fls s VAL 349 CO 0.56 0.52 1.35 -2.16 0.00 0.00 0.00 175.10 175.37 3fls s PRO 350 N 1.15 4.08 0.94 2.72 0.04 -1.26 -5.01 135.00 137.66 3fls s PRO 350 Ca 0.01 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 3fls s PRO 350 Cb -0.14 -2.88 0.16 0.00 0.04 0.00 0.00 34.50 31.68 3fls s PRO 350 CO -0.07 -0.45 1.12 -1.25 0.04 0.00 0.00 177.00 176.40 3fls s PRO 351 N -2.10 0.83 0.00 0.56 0.04 -1.26 -5.14 135.00 127.92 3fls s PRO 351 Ca 0.54 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.98 3fls s PRO 351 Cb -0.41 -1.72 0.04 0.00 0.04 0.00 0.00 34.50 32.46 3fls s PRO 351 CO 0.54 -2.71 0.54 -2.30 0.04 0.00 0.00 177.00 173.11