#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9t n THR 5 N 0.00 0.00 -0.04 0.00 -2.24 -1.26 -4.88 114.28 105.86 1j9t n THR 5 Ca 0.00 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 61.27 1j9t n THR 5 Cb 0.00 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 1j9t n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j9t h ALA 6 N -2.30 0.33 -0.41 6.98 0.00 -2.06 -3.17 119.26 118.63 1j9t h ALA 6 Ca -0.56 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 53.70 1j9t h ALA 6 Cb 1.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1j9t h ALA 6 CO 0.42 0.61 -0.16 0.00 0.00 0.00 0.00 179.25 180.12 1j9t h ALA 7 N 0.58 0.94 -0.87 0.00 0.00 -1.99 -3.00 119.26 114.92 1j9t h ALA 7 Ca -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1j9t h ALA 7 Cb 1.25 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1j9t h ALA 7 CO 0.13 0.62 0.57 0.93 0.00 0.00 0.00 179.25 181.50 1j9t h GLU 8 N 0.69 1.12 -0.23 0.00 5.08 -1.92 -0.86 114.58 118.46 1j9t h GLU 8 Ca 0.11 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1j9t h GLU 8 Cb 0.66 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1j9t h GLU 8 CO 0.05 0.74 0.04 0.82 -1.00 0.00 0.00 179.01 179.65 1j9t h ILE 9 N 1.15 1.23 0.00 3.13 2.04 -1.51 -2.49 117.51 121.05 1j9t h ILE 9 Ca 0.33 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1j9t h ILE 9 Cb -0.10 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1j9t h ILE 9 CO -0.08 0.24 -0.08 0.00 0.00 0.00 0.00 178.15 178.22 1j9t h ALA 10 N 0.85 1.44 0.00 1.87 0.00 -1.36 -2.10 119.26 119.96 1j9t h ALA 10 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j9t h ALA 10 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1j9t h ALA 10 CO 0.00 0.11 -0.36 0.00 0.00 0.00 0.00 179.25 179.00 1j9t n ALA 11 N -2.33 2.65 -1.67 0.00 0.00 -0.35 -4.92 120.51 113.89 1j9t n ALA 11 Ca -0.02 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 1j9t n ALA 11 Cb 0.18 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.37 1j9t n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j9t n LEU 12 N -2.17 4.17 -4.77 0.00 4.77 -0.79 -4.92 117.00 113.28 1j9t n LEU 12 Ca 0.04 0.97 -0.39 0.00 -0.03 0.00 0.00 56.01 56.59 1j9t n LEU 12 Cb 0.44 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1j9t n LEU 12 CO 0.34 -1.12 0.93 -2.84 -1.33 0.00 0.00 177.39 173.37 1j9t s PRO 13 N -2.55 4.10 -0.09 3.23 0.02 -1.26 -4.80 135.00 133.65 1j9t s PRO 13 Ca 0.69 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 63.77 1j9t s PRO 13 Cb -0.46 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 1j9t s PRO 13 CO 0.52 -0.36 0.01 1.03 -0.33 0.00 0.00 177.00 177.88 1j9t s ARG 14 N -2.11 3.08 -0.06 5.54 3.00 -1.26 -1.64 118.95 125.50 1j9t s ARG 14 Ca 0.55 -0.38 -0.01 0.00 0.00 0.00 0.00 55.73 55.88 1j9t s ARG 14 Cb -0.37 -2.85 0.03 0.00 0.00 0.00 0.00 34.95 31.77 1j9t s ARG 14 CO 0.47 0.68 0.01 -1.14 0.00 0.00 0.00 175.30 175.32 1j9t s GLN 15 N -0.81 0.46 -0.04 3.54 0.74 -0.58 -4.96 119.66 118.01 1j9t s GLN 15 Ca 0.12 0.14 -0.23 0.00 0.05 0.00 0.00 55.36 55.44 1j9t s GLN 15 Cb -0.12 -0.82 -0.04 0.00 1.10 0.00 0.00 33.01 33.13 1j9t s GLN 15 CO 0.02 -0.28 0.69 0.15 -0.55 0.00 0.00 175.29 175.33 1j9t s LYS 16 N 1.84 4.43 -0.06 1.67 1.02 -1.26 0.04 119.74 127.41 1j9t s LYS 16 Ca 0.02 0.89 0.05 0.00 0.02 0.00 0.00 55.97 56.95 1j9t s LYS 16 Cb -0.12 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1j9t s LYS 16 CO -0.04 0.15 -0.22 0.08 -0.92 0.00 0.00 175.35 174.39 1j9t s VAL 17 N 0.51 2.29 -0.15 3.17 1.01 -0.41 -4.93 120.40 121.89 1j9t s VAL 17 Ca 0.37 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1j9t s VAL 17 Cb -0.18 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1j9t s VAL 17 CO 0.19 0.57 0.51 -1.61 0.00 0.00 0.00 175.10 174.76 1j9t s GLU 18 N -0.21 4.29 0.59 2.72 2.02 -1.26 -4.67 118.70 122.18 1j9t s GLU 18 Ca -0.02 0.47 -0.09 0.00 0.02 0.00 0.00 54.97 55.35 1j9t s GLU 18 Cb -0.13 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.58 1j9t s GLU 18 CO 0.03 0.03 0.97 -0.51 0.02 0.00 0.00 175.26 175.80 1j9t s LEU 19 N 1.04 3.30 0.12 1.80 1.43 -1.26 -4.78 118.68 120.32 1j9t s LEU 19 Ca 0.26 1.24 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 1j9t s LEU 19 Cb -0.15 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 1j9t s LEU 19 CO 0.10 -0.85 -0.13 0.68 0.23 0.00 0.00 176.35 176.39 1j9t s VAL 20 N -3.08 1.23 0.39 -1.59 -7.23 -1.26 -4.99 120.40 103.87 1j9t s VAL 20 Ca 0.53 -1.73 -0.24 0.00 -1.81 0.00 0.00 61.98 58.73 1j9t s VAL 20 Cb -0.11 -1.52 -0.09 0.00 0.56 0.00 0.00 36.38 35.22 1j9t s VAL 20 CO 0.51 -0.48 1.03 -1.81 -0.31 0.00 0.00 175.10 174.05 1j9t s ASP 21 N -2.52 6.83 0.80 4.85 1.01 -1.26 -4.62 116.67 121.76 1j9t s ASP 21 Ca 0.09 1.99 -0.13 0.00 0.71 0.00 0.00 52.55 55.20 1j9t s ASP 21 Cb -0.04 -2.58 0.08 0.00 1.01 0.00 0.00 42.92 41.39 1j9t s ASP 21 CO 0.02 -0.44 1.20 -2.84 0.21 0.00 0.00 175.17 173.33 1j9t s PRO 22 N -2.51 1.66 0.00 8.23 0.02 -1.26 -2.03 135.00 139.12 1j9t s PRO 22 Ca 0.57 1.75 0.28 0.00 0.02 0.00 0.00 61.00 63.62 1j9t s PRO 22 Cb -0.20 -1.78 1.60 0.00 0.02 0.00 0.00 34.50 34.14 1j9t s PRO 22 CO 0.26 -2.19 1.99 -0.35 -0.33 0.00 0.00 177.00 176.37 1j9t n PRO 23 N -3.28 0.77 -1.69 5.54 -0.04 -1.26 -5.05 135.00 129.99 1j9t n PRO 23 Ca 0.13 0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1j9t n PRO 23 Cb 0.50 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1j9t n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j9t s PHE 24 N -2.12 3.26 -0.02 0.54 0.40 -0.86 -0.17 117.98 119.01 1j9t s PHE 24 Ca 0.38 1.31 0.04 0.00 -0.60 0.00 0.00 56.93 58.06 1j9t s PHE 24 Cb 0.19 -2.88 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 1j9t s PHE 24 CO 0.34 -1.13 -0.13 0.08 0.70 0.00 0.00 175.22 175.08 1j9t s VAL 25 N -3.13 1.07 0.91 -0.44 1.01 -1.26 -4.61 120.40 113.95 1j9t s VAL 25 Ca 0.57 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1j9t s VAL 25 Cb -0.13 -0.91 0.14 0.00 0.00 0.00 0.00 36.38 35.48 1j9t s VAL 25 CO 0.54 0.31 1.14 -1.38 0.00 0.00 0.00 175.10 175.71 1j9t s HIS 26 N -0.15 1.70 0.30 5.22 -3.43 -1.26 -4.90 115.29 112.76 1j9t s HIS 26 Ca 0.02 1.77 -0.30 0.00 -0.80 0.00 0.00 55.06 55.75 1j9t s HIS 26 Cb -0.07 -3.31 -0.11 0.00 -1.43 0.00 0.00 32.58 27.65 1j9t s HIS 26 CO 0.00 -2.74 1.59 0.00 -2.00 0.00 0.00 174.74 171.59 1j9t s ALA 27 N -2.67 3.73 0.23 -1.38 0.00 -1.26 -4.99 121.76 115.42 1j9t s ALA 27 Ca 0.66 1.58 -0.22 0.00 0.00 0.00 0.00 51.96 53.98 1j9t s ALA 27 Cb -0.22 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.29 1j9t s ALA 27 CO 0.58 -1.00 0.74 -3.38 0.00 0.00 0.00 175.76 172.70 1j9t s HIS 28 N -0.13 -0.25 -0.06 0.00 -3.43 -1.26 -5.06 115.29 105.10 1j9t s HIS 28 Ca 0.62 -0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.76 1j9t s HIS 28 Cb -0.48 0.67 -0.03 0.00 -1.43 0.00 0.00 32.58 31.31 1j9t s HIS 28 CO 0.50 -1.08 -0.08 0.45 -2.00 0.00 0.00 174.74 172.52 1j9t s SER 29 N -2.88 4.52 0.01 7.38 0.15 -1.26 -5.03 113.70 116.60 1j9t s SER 29 Ca 0.09 -0.07 -0.23 0.00 0.70 0.00 0.00 55.95 56.45 1j9t s SER 29 Cb -0.04 -1.10 -0.17 0.00 -1.71 0.00 0.00 66.02 63.00 1j9t s SER 29 CO 0.02 0.35 1.29 1.56 1.20 0.00 0.00 173.24 177.67 1j9t h GLN 30 N 5.21 0.21 -6.01 5.44 4.20 -1.97 -3.41 115.11 118.77 1j9t h GLN 30 Ca -0.48 -0.12 -0.56 0.00 0.06 0.00 0.00 58.65 57.55 1j9t h GLN 30 Cb 1.17 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.90 1j9t h GLN 30 CO 0.52 0.66 0.02 0.08 -0.67 0.00 0.00 178.83 179.44 1j9t s VAL 31 N -4.20 5.01 0.56 -0.54 1.01 -1.26 -3.44 120.40 117.53 1j9t s VAL 31 Ca -0.15 1.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.94 1j9t s VAL 31 Cb 0.04 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1j9t s VAL 31 CO 0.72 0.32 1.09 0.00 0.00 0.00 0.00 175.10 177.23 1j9t n ALA 32 N 3.40 0.59 -3.79 5.51 0.00 0.74 -4.94 120.51 122.01 1j9t n ALA 32 Ca -0.04 0.08 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 1j9t n ALA 32 Cb 0.51 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 1j9t n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j9t s GLU 33 N -2.68 1.98 0.00 0.00 2.02 -1.26 -5.01 118.70 113.75 1j9t s GLU 33 Ca 0.73 -1.86 0.00 0.00 0.02 0.00 0.00 54.97 53.86 1j9t s GLU 33 Cb -0.44 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.23 1j9t s GLU 33 CO 0.49 -1.07 0.00 0.41 0.02 0.00 0.00 175.26 175.11 1j9t n GLY 34 N 4.51 -0.47 1.33 -1.39 0.00 -1.26 -4.99 105.19 102.92 1j9t n GLY 34 Ca -0.01 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 1j9t n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9t n GLY 35 N -0.53 -1.70 3.57 -0.02 0.00 -1.26 -4.97 105.19 100.29 1j9t n GLY 35 Ca 0.00 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 1j9t n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j9t n PRO 36 N -2.24 1.23 -4.21 1.61 -0.02 -1.26 -5.01 135.00 125.10 1j9t n PRO 36 Ca 0.06 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 1j9t n PRO 36 Cb 0.21 -1.78 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1j9t n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j9t s LYS 37 N -1.44 0.94 -0.48 -0.52 1.02 -1.26 -4.44 119.74 113.56 1j9t s LYS 37 Ca 0.60 -1.39 -0.14 0.00 0.02 0.00 0.00 55.97 55.05 1j9t s LYS 37 Cb -0.73 -0.37 0.09 0.00 -0.52 0.00 0.00 37.83 36.30 1j9t s LYS 37 CO 0.59 0.01 0.40 0.08 -0.92 0.00 0.00 175.35 175.51 1j9t s VAL 38 N -3.51 5.01 -0.27 3.17 1.01 -0.65 -0.53 120.40 124.63 1j9t s VAL 38 Ca 0.15 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.62 1j9t s VAL 38 Cb 0.04 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 1j9t s VAL 38 CO -0.02 -0.65 0.81 -0.69 0.00 0.00 0.00 175.10 174.55 1j9t s VAL 39 N 1.58 4.82 -0.21 2.92 1.01 0.62 -1.53 120.40 129.60 1j9t s VAL 39 Ca 0.04 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 1j9t s VAL 39 Cb -0.26 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1j9t s VAL 39 CO 0.05 -0.15 0.19 -1.61 0.00 0.00 0.00 175.10 173.57 1j9t s GLU 40 N 2.90 4.14 0.15 2.72 2.02 0.11 -0.67 118.70 130.08 1j9t s GLU 40 Ca 0.34 -0.17 0.08 0.00 0.02 0.00 0.00 54.97 55.23 1j9t s GLU 40 Cb -0.15 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1j9t s GLU 40 CO 0.10 0.16 -0.17 -0.06 0.02 0.00 0.00 175.26 175.31 1j9t s PHE 41 N 0.77 1.68 -0.03 1.61 0.40 -0.58 -1.29 117.98 120.54 1j9t s PHE 41 Ca 0.10 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1j9t s PHE 41 Cb -0.13 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.57 1j9t s PHE 41 CO 0.02 0.27 -0.06 0.99 0.70 0.00 0.00 175.22 177.15 1j9t s THR 42 N -2.15 0.59 -0.03 0.64 2.01 -1.26 -0.91 115.64 114.52 1j9t s THR 42 Ca 0.14 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1j9t s THR 42 Cb -0.05 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.91 1j9t s THR 42 CO 0.05 0.21 -0.04 -0.04 -0.69 0.00 0.00 174.62 174.12 1j9t s MET 43 N 0.49 0.65 -0.16 4.92 -1.94 -0.43 -4.92 119.30 117.92 1j9t s MET 43 Ca -0.07 -0.10 -0.08 0.00 -1.71 0.00 0.00 55.69 53.74 1j9t s MET 43 Cb -0.11 -0.68 -0.04 0.00 2.01 0.00 0.00 34.83 36.01 1j9t s MET 43 CO 0.00 -0.04 0.11 0.08 -0.01 0.00 0.00 175.02 175.17 1j9t s VAL 44 N 0.66 5.24 -0.01 -6.03 1.01 -1.26 -1.48 120.40 118.53 1j9t s VAL 44 Ca -0.08 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 1j9t s VAL 44 Cb -0.11 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1j9t s VAL 44 CO -0.00 0.53 0.74 -0.63 0.00 0.00 0.00 175.10 175.74 1j9t s ILE 45 N -0.29 4.89 -0.12 2.22 1.01 0.07 -0.58 121.20 128.40 1j9t s ILE 45 Ca 0.10 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.32 1j9t s ILE 45 Cb -0.12 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.28 1j9t s ILE 45 CO 0.01 0.30 -0.16 -1.61 0.00 0.00 0.00 174.94 173.48 1j9t s GLU 46 N 0.39 2.37 -0.24 2.79 2.02 -0.21 -4.49 118.70 121.32 1j9t s GLU 46 Ca 0.39 -0.61 -0.10 0.00 0.02 0.00 0.00 54.97 54.67 1j9t s GLU 46 Cb -0.19 -2.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.96 1j9t s GLU 46 CO 0.21 -0.10 0.15 -1.21 0.02 0.00 0.00 175.26 174.33 1j9t s GLU 47 N 1.08 4.01 -0.06 1.61 2.02 -1.26 -0.66 118.70 125.44 1j9t s GLU 47 Ca -0.04 -0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.35 1j9t s GLU 47 Cb -0.14 -3.52 0.09 0.00 0.10 0.00 0.00 34.13 30.65 1j9t s GLU 47 CO -0.04 0.01 0.79 -1.59 0.02 0.00 0.00 175.26 174.45 1j9t s LYS 48 N 1.20 0.91 0.11 1.61 -2.85 -0.43 -4.99 119.74 115.30 1j9t s LYS 48 Ca 0.07 0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.82 1j9t s LYS 48 Cb -0.14 0.43 -0.06 0.00 -2.06 0.00 0.00 37.83 36.00 1j9t s LYS 48 CO 0.05 -0.31 1.00 0.15 0.10 0.00 0.00 175.35 176.34 1j9t s LYS 49 N -1.65 4.65 0.08 1.78 1.02 -1.26 -0.42 119.74 123.94 1j9t s LYS 49 Ca -0.05 1.52 0.04 0.00 0.02 0.00 0.00 55.97 57.49 1j9t s LYS 49 Cb -0.00 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 1j9t s LYS 49 CO 0.03 0.13 -0.11 0.96 -0.92 0.00 0.00 175.35 175.44 1j9t s ILE 50 N 0.13 0.90 -0.19 2.17 -4.36 -0.49 -4.92 121.20 114.45 1j9t s ILE 50 Ca 0.49 -1.45 -0.11 0.00 -0.26 0.00 0.00 60.65 59.31 1j9t s ILE 50 Cb -0.25 -1.15 -0.05 0.00 1.25 0.00 0.00 42.46 42.27 1j9t s ILE 50 CO 0.31 -0.45 0.17 -0.69 0.24 0.00 0.00 174.94 174.52 1j9t s VAL 51 N -1.97 5.38 -1.30 8.37 1.01 -1.26 -1.68 120.40 128.96 1j9t s VAL 51 Ca 0.01 0.29 0.13 0.00 0.00 0.00 0.00 61.98 62.40 1j9t s VAL 51 Cb -0.06 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.84 1j9t s VAL 51 CO 0.01 0.43 0.78 2.30 0.00 0.00 0.00 175.10 178.62 1j9t n ILE 52 N 3.51 0.00 -3.91 2.22 -5.35 -0.27 -4.86 119.36 110.71 1j9t n ILE 52 Ca -0.15 -0.42 -0.10 0.00 -0.27 0.00 0.00 62.75 61.82 1j9t n ILE 52 Cb 0.52 1.19 -0.02 0.00 -1.74 0.00 0.00 39.64 39.59 1j9t n ILE 52 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1j9t n ASP 53 N 0.11 -0.87 -0.03 7.28 3.85 -1.26 -0.97 116.55 124.66 1j9t n ASP 53 Ca 0.06 -2.25 0.12 0.00 -0.71 0.00 0.00 54.79 52.01 1j9t n ASP 53 Cb 0.28 1.64 0.70 0.00 -1.35 0.00 0.00 41.12 42.39 1j9t n ASP 53 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1j9t n ASP 54 N -1.82 0.11 -0.82 -1.12 5.68 -1.26 -3.39 116.55 113.92 1j9t n ASP 54 Ca 0.01 -1.27 0.07 0.00 -0.50 0.00 0.00 54.79 53.10 1j9t n ASP 54 Cb 0.39 -0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.56 1j9t n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j9t n ALA 55 N -0.80 2.40 -1.06 2.12 0.00 -1.26 -4.95 120.51 116.96 1j9t n ALA 55 Ca 0.18 -1.39 -0.02 0.00 0.00 0.00 0.00 53.44 52.21 1j9t n ALA 55 Cb 0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 1j9t n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j9t n GLY 56 N 0.50 0.54 3.72 0.00 0.00 -1.22 -4.98 105.19 103.76 1j9t n GLY 56 Ca 0.16 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1j9t n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j9t s THR 57 N -1.99 2.32 0.12 2.61 2.01 -1.26 -4.88 115.64 114.58 1j9t s THR 57 Ca 0.00 0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1j9t s THR 57 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1j9t s THR 57 CO 0.00 0.02 0.10 -1.61 -0.69 0.00 0.00 174.62 172.44 1j9t s GLU 58 N 0.84 2.85 -0.05 4.92 2.02 -1.26 -1.11 118.70 126.91 1j9t s GLU 58 Ca 0.70 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.85 1j9t s GLU 58 Cb -0.46 -2.66 0.02 0.00 0.10 0.00 0.00 34.13 31.13 1j9t s GLU 58 CO 0.34 0.52 0.13 0.08 0.02 0.00 0.00 175.26 176.36 1j9t s VAL 59 N -1.57 -0.02 -0.86 2.63 1.01 -0.67 -4.96 120.40 115.96 1j9t s VAL 59 Ca 0.30 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 1j9t s VAL 59 Cb -0.11 -0.20 0.09 0.00 0.00 0.00 0.00 36.38 36.15 1j9t s VAL 59 CO 0.22 0.03 1.18 -1.00 0.00 0.00 0.00 175.10 175.53 1j9t s HIS 60 N 0.47 2.77 0.56 5.22 3.76 -1.26 -1.40 115.29 125.40 1j9t s HIS 60 Ca -0.03 -0.90 -0.16 0.00 -0.15 0.00 0.00 55.06 53.82 1j9t s HIS 60 Cb -0.05 -4.42 -0.06 0.00 1.11 0.00 0.00 32.58 29.16 1j9t s HIS 60 CO -0.02 -1.70 1.02 0.00 -0.85 0.00 0.00 174.74 173.19 1j9t s ALA 61 N 3.92 2.92 -0.24 -1.40 0.00 0.44 -4.85 121.76 122.55 1j9t s ALA 61 Ca 0.33 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1j9t s ALA 61 Cb -0.07 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 19.95 1j9t s ALA 61 CO -0.02 -0.51 -0.04 -1.64 0.00 0.00 0.00 175.76 173.55 1j9t s MET 62 N -4.13 1.55 -0.09 0.00 -1.94 -0.75 -1.31 119.30 112.63 1j9t s MET 62 Ca 0.61 -1.01 0.02 0.00 -1.71 0.00 0.00 55.69 53.60 1j9t s MET 62 Cb -0.13 -2.58 0.01 0.00 2.01 0.00 0.00 34.83 34.15 1j9t s MET 62 CO 0.35 -0.63 -0.14 0.00 -0.01 0.00 0.00 175.02 174.59 1j9t s ALA 63 N 1.40 1.52 0.04 3.03 0.00 0.17 -2.00 121.76 125.92 1j9t s ALA 63 Ca -0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 1j9t s ALA 63 Cb -0.19 -0.71 -0.07 0.00 0.00 0.00 0.00 23.12 22.16 1j9t s ALA 63 CO -0.07 0.04 1.46 -0.06 0.00 0.00 0.00 175.76 177.13 1j9t s PHE 64 N 0.79 2.81 -2.00 0.00 0.08 -1.25 -1.05 117.98 117.36 1j9t s PHE 64 Ca -0.11 0.71 0.00 0.00 0.12 0.00 0.00 56.93 57.65 1j9t s PHE 64 Cb -0.16 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 1j9t s PHE 64 CO 0.02 -2.80 0.00 -1.71 -0.10 0.00 0.00 175.22 170.63 1j9t n ASN 65 N 5.20 -5.39 0.00 1.36 5.15 0.25 -2.54 115.26 119.29 1j9t n ASN 65 Ca 0.14 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1j9t n ASN 65 Cb 0.43 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 34.99 1j9t n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j9t n GLY 66 N -0.55 0.43 3.33 8.20 0.00 -1.00 -4.93 105.19 110.67 1j9t n GLY 66 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1j9t n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9t s THR 67 N -2.06 1.80 -0.21 2.61 -4.23 -1.05 -4.96 115.64 107.53 1j9t s THR 67 Ca 0.00 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1j9t s THR 67 Cb 0.00 -1.86 0.05 0.00 1.34 0.00 0.00 72.50 72.03 1j9t s THR 67 CO 0.00 -0.36 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.97 1j9t s VAL 68 N -2.19 1.40 1.07 2.29 1.01 -1.26 -3.17 120.40 119.55 1j9t s VAL 68 Ca 0.17 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 1j9t s VAL 68 Cb -0.05 -1.61 0.23 0.00 0.00 0.00 0.00 36.38 34.94 1j9t s VAL 68 CO 0.07 0.01 1.15 -2.16 0.00 0.00 0.00 175.10 174.17 1j9t s PRO 69 N 1.48 -0.16 0.79 2.72 0.04 -1.26 -1.73 135.00 136.87 1j9t s PRO 69 Ca -0.03 0.02 -0.11 0.00 0.04 0.00 0.00 61.00 60.92 1j9t s PRO 69 Cb -0.17 -1.71 0.07 0.00 0.04 0.00 0.00 34.50 32.72 1j9t s PRO 69 CO -0.07 -3.03 1.09 0.20 0.04 0.00 0.00 177.00 175.23 1j9t s GLY 70 N -4.04 1.66 0.73 0.56 0.00 0.52 -4.75 107.32 101.99 1j9t s GLY 70 Ca 0.69 0.14 -0.14 0.00 0.00 0.00 0.00 44.72 45.42 1j9t s GLY 70 CO 0.55 0.52 1.16 2.56 0.00 0.00 0.00 173.10 177.89 1j9t s PRO 71 N -4.94 2.24 -0.15 2.90 0.04 -1.26 -4.41 135.00 129.41 1j9t s PRO 71 Ca 0.61 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.97 1j9t s PRO 71 Cb -0.17 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1j9t s PRO 71 CO 0.56 -1.72 0.83 -1.17 0.04 0.00 0.00 177.00 175.54 1j9t s LEU 72 N -5.28 4.20 -0.18 -3.56 2.96 -1.26 -4.37 118.68 111.20 1j9t s LEU 72 Ca 0.70 1.20 -0.08 0.00 -0.22 0.00 0.00 54.13 55.73 1j9t s LEU 72 Cb -0.25 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1j9t s LEU 72 CO 0.46 -0.36 0.09 -0.04 -1.32 0.00 0.00 176.35 175.18 1j9t s MET 73 N 1.95 3.94 -0.11 1.98 -1.94 -1.17 -4.55 119.30 119.40 1j9t s MET 73 Ca 0.39 -0.29 0.03 0.00 -1.71 0.00 0.00 55.69 54.11 1j9t s MET 73 Cb -0.17 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.42 1j9t s MET 73 CO 0.14 0.35 -0.22 0.08 -0.01 0.00 0.00 175.02 175.36 1j9t s VAL 74 N 0.17 2.19 0.34 -6.03 1.01 -1.26 0.01 120.40 116.82 1j9t s VAL 74 Ca 0.06 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1j9t s VAL 74 Cb -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1j9t s VAL 74 CO -0.00 0.55 0.32 0.68 0.00 0.00 0.00 175.10 176.65 1j9t s VAL 75 N 0.46 0.00 0.17 2.92 -7.23 -0.31 -4.98 120.40 111.43 1j9t s VAL 75 Ca -0.15 -1.92 0.09 0.00 -1.81 0.00 0.00 61.98 58.19 1j9t s VAL 75 Cb -0.17 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1j9t s VAL 75 CO 0.06 0.00 -0.12 -1.00 -0.31 0.00 0.00 175.10 173.73 1j9t s HIS 76 N -3.34 2.59 0.12 2.82 3.76 -1.26 -0.75 115.29 119.23 1j9t s HIS 76 Ca 0.39 -0.24 -0.35 0.00 -0.15 0.00 0.00 55.06 54.71 1j9t s HIS 76 Cb 0.02 -1.29 -0.16 0.00 1.11 0.00 0.00 32.58 32.26 1j9t s HIS 76 CO 0.27 0.49 1.26 0.94 -0.85 0.00 0.00 174.74 176.85 1j9t n GLN 77 N 0.20 1.13 -0.99 1.40 7.27 0.81 -1.27 117.38 125.93 1j9t n GLN 77 Ca -0.12 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.36 1j9t n GLN 77 Cb 0.55 -1.99 0.00 0.00 2.41 0.00 0.00 30.24 31.21 1j9t n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1j9t n ASP 78 N 2.30 -1.63 -4.57 1.69 10.43 0.11 -4.71 116.55 120.16 1j9t n ASP 78 Ca 0.17 0.00 -0.28 0.00 2.57 0.00 0.00 54.79 57.25 1j9t n ASP 78 Cb 0.21 -0.42 0.13 0.00 1.84 0.00 0.00 41.12 42.88 1j9t n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1j9t s ASP 79 N -2.46 3.99 -0.05 -2.24 -0.00 -0.40 -4.65 116.67 110.87 1j9t s ASP 79 Ca 0.00 0.37 0.05 0.00 -0.00 0.00 0.00 52.55 52.97 1j9t s ASP 79 Cb 0.00 -0.71 -0.02 0.00 -0.00 0.00 0.00 42.92 42.19 1j9t s ASP 79 CO 0.00 -2.17 -0.19 -0.31 -0.00 0.00 0.00 175.17 172.50 1j9t s TYR 80 N -3.58 2.58 -0.30 4.23 1.51 0.31 -1.11 117.35 120.98 1j9t s TYR 80 Ca 0.67 -0.31 -0.10 0.00 -1.01 0.00 0.00 57.07 56.32 1j9t s TYR 80 Cb -0.07 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1j9t s TYR 80 CO 0.49 0.06 0.15 -1.17 -1.11 0.00 0.00 175.55 173.98 1j9t s LEU 81 N -0.59 4.02 -0.38 -1.29 0.20 0.28 -0.28 118.68 120.64 1j9t s LEU 81 Ca 0.09 -0.36 -0.04 0.00 0.69 0.00 0.00 54.13 54.50 1j9t s LEU 81 Cb -0.11 -2.03 0.09 0.00 -0.43 0.00 0.00 46.19 43.71 1j9t s LEU 81 CO 0.01 -0.14 0.16 -0.70 -0.29 0.00 0.00 176.35 175.38 1j9t s GLU 82 N 1.65 2.25 -0.20 1.98 2.12 0.16 -1.83 118.70 124.83 1j9t s GLU 82 Ca 0.06 -1.58 -0.09 0.00 0.36 0.00 0.00 54.97 53.72 1j9t s GLU 82 Cb -0.17 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1j9t s GLU 82 CO 0.07 -0.91 0.10 -1.17 -0.54 0.00 0.00 175.26 172.81 1j9t s LEU 83 N 1.23 3.97 -0.32 2.70 0.20 0.45 -1.53 118.68 125.38 1j9t s LEU 83 Ca 0.03 0.12 -0.13 0.00 0.69 0.00 0.00 54.13 54.84 1j9t s LEU 83 Cb -0.22 -2.03 -0.02 0.00 -0.43 0.00 0.00 46.19 43.49 1j9t s LEU 83 CO -0.02 0.15 0.28 -0.89 -0.29 0.00 0.00 176.35 175.58 1j9t s THR 84 N 0.55 5.24 -0.18 3.68 2.01 -0.09 -0.99 115.64 125.86 1j9t s THR 84 Ca 0.05 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 1j9t s THR 84 Cb -0.12 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1j9t s THR 84 CO 0.00 0.03 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.65 1j9t s LEU 85 N 1.85 2.80 -0.11 4.42 2.96 0.15 -1.32 118.68 129.43 1j9t s LEU 85 Ca 0.09 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1j9t s LEU 85 Cb -0.17 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 1j9t s LEU 85 CO 0.11 0.07 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.43 1j9t s ILE 86 N 0.95 2.92 -0.45 6.68 1.01 -0.55 -1.41 121.20 130.35 1j9t s ILE 86 Ca -0.01 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1j9t s ILE 86 Cb -0.15 -2.20 0.12 0.00 0.01 0.00 0.00 42.46 40.24 1j9t s ILE 86 CO -0.00 0.54 0.20 0.21 0.00 0.00 0.00 174.94 175.88 1j9t s ASN 87 N 0.18 4.72 0.52 3.58 3.84 -0.26 -0.75 114.94 126.77 1j9t s ASN 87 Ca -0.08 -2.55 -0.20 0.00 0.21 0.00 0.00 52.86 50.23 1j9t s ASN 87 Cb -0.15 -1.69 -0.08 0.00 -0.55 0.00 0.00 41.25 38.78 1j9t s ASN 87 CO 0.05 -0.34 0.84 -2.65 -2.79 0.00 0.00 177.10 172.21 1j9t n PRO 88 N 3.77 0.93 0.09 0.43 -0.02 -1.26 0.97 135.00 139.91 1j9t n PRO 88 Ca 0.04 0.35 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1j9t n PRO 88 Cb 0.38 -1.96 0.40 0.00 -0.02 0.00 0.00 33.50 32.29 1j9t n PRO 88 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1j9t n GLU 89 N -0.28 0.11 0.04 -0.52 0.28 -1.26 -1.43 120.64 117.58 1j9t n GLU 89 Ca 0.12 0.44 0.12 0.00 -0.16 0.00 0.00 57.16 57.68 1j9t n GLU 89 Cb 0.44 -1.75 0.50 0.00 1.43 0.00 0.00 31.44 32.06 1j9t n GLU 89 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1j9t n THR 90 N -1.96 0.42 -2.10 3.84 -2.24 -1.26 -4.75 114.28 106.23 1j9t n THR 90 Ca 0.01 -0.01 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1j9t n THR 90 Cb 0.14 -0.68 0.07 0.00 -2.10 0.00 0.00 70.33 67.77 1j9t n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1j9t s ASN 91 N -3.56 4.73 0.00 3.42 0.01 -0.51 -5.03 114.94 113.99 1j9t s ASN 91 Ca 0.11 0.58 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 1j9t s ASN 91 Cb 0.15 -1.18 0.00 0.00 0.41 0.00 0.00 41.25 40.62 1j9t s ASN 91 CO 0.49 -1.69 0.18 0.35 -1.51 0.00 0.00 177.10 174.92 1j9t n THR 92 N -3.05 0.00 -4.33 1.60 -2.24 -1.26 -4.73 114.28 100.27 1j9t n THR 92 Ca 0.08 -0.27 -0.23 0.00 -2.27 0.00 0.00 64.05 61.35 1j9t n THR 92 Cb 0.61 1.30 -0.08 0.00 -2.10 0.00 0.00 70.33 70.05 1j9t n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j9t s LEU 93 N -0.38 3.05 0.17 3.22 1.43 -1.26 -4.94 118.68 119.98 1j9t s LEU 93 Ca 0.00 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.17 1j9t s LEU 93 Cb 0.00 -1.56 -0.08 0.00 0.03 0.00 0.00 46.19 44.58 1j9t s LEU 93 CO 0.00 -0.01 0.65 0.00 0.23 0.00 0.00 176.35 177.23 1j9t s MET 94 N -3.64 4.19 0.17 1.70 0.23 -1.26 -4.25 119.30 116.43 1j9t s MET 94 Ca 0.31 0.76 0.00 0.00 -1.03 0.00 0.00 55.69 55.73 1j9t s MET 94 Cb -0.06 -2.98 -0.04 0.00 -1.53 0.00 0.00 34.83 30.22 1j9t s MET 94 CO 0.19 0.47 0.06 -1.01 -2.03 0.00 0.00 175.02 172.70 1j9t s HIS 95 N -1.41 1.10 0.04 3.16 0.09 -0.43 -4.90 115.29 112.94 1j9t s HIS 95 Ca 0.39 -1.19 -0.04 0.00 -0.00 0.00 0.00 55.06 54.21 1j9t s HIS 95 Cb -0.17 -0.61 0.01 0.00 -0.00 0.00 0.00 32.58 31.81 1j9t s HIS 95 CO 0.20 -0.43 0.19 0.27 -0.00 0.00 0.00 174.74 174.98 1j9t n ASN 96 N -0.21 -0.33 -3.77 1.40 6.94 -1.26 0.34 115.26 118.37 1j9t n ASN 96 Ca -0.04 -1.18 -0.13 0.00 -0.02 0.00 0.00 54.58 53.22 1j9t n ASN 96 Cb 0.64 0.54 -0.12 0.00 -2.36 0.00 0.00 39.78 38.48 1j9t n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1j9t s ILE 97 N -2.49 -0.01 -0.22 1.53 2.07 -1.26 -4.27 121.20 116.54 1j9t s ILE 97 Ca 0.04 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.30 1j9t s ILE 97 Cb -0.01 -0.38 0.01 0.00 0.13 0.00 0.00 42.46 42.22 1j9t s ILE 97 CO 0.01 0.02 -0.08 -0.62 -1.91 0.00 0.00 174.94 172.35 1j9t s ASP 98 N 0.47 4.05 -0.39 4.50 -1.08 0.81 -1.25 116.67 123.79 1j9t s ASP 98 Ca -0.03 -0.63 -0.14 0.00 -0.52 0.00 0.00 52.55 51.23 1j9t s ASP 98 Cb -0.04 -1.65 0.01 0.00 -1.46 0.00 0.00 42.92 39.77 1j9t s ASP 98 CO -0.02 -0.06 0.28 -0.36 0.52 0.00 0.00 175.17 175.52 1j9t s PHE 99 N 1.38 3.24 0.17 -5.34 0.40 0.70 -1.21 117.98 117.32 1j9t s PHE 99 Ca 0.03 -0.51 0.34 0.00 -0.60 0.00 0.00 56.93 56.20 1j9t s PHE 99 Cb -0.15 -2.55 1.67 0.00 0.51 0.00 0.00 43.02 42.50 1j9t s PHE 99 CO -0.06 -0.53 2.03 0.45 0.70 0.00 0.00 175.22 177.81 1j9t h HIS 100 N 8.58 0.00 0.00 0.36 3.86 -1.54 -1.57 115.15 124.83 1j9t h HIS 100 Ca -0.28 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1j9t h HIS 100 Cb 1.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 1j9t h HIS 100 CO 0.58 0.00 -0.00 0.00 0.86 0.00 0.00 177.93 179.37 1j9t h ALA 101 N 2.04 1.00 -2.12 2.45 0.00 -1.91 -3.46 119.26 117.26 1j9t h ALA 101 Ca 0.00 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1j9t h ALA 101 Cb 0.22 -0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.08 1j9t h ALA 101 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.37 1j9t s ALA 102 N -3.30 3.46 -0.13 0.00 0.00 -0.59 -4.62 121.76 116.57 1j9t s ALA 102 Ca 0.06 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1j9t s ALA 102 Cb 0.06 -2.39 0.03 0.00 0.00 0.00 0.00 23.12 20.82 1j9t s ALA 102 CO 0.64 -1.05 -0.07 0.99 0.00 0.00 0.00 175.76 176.27 1j9t s THR 103 N -3.04 1.07 0.00 0.00 2.01 -1.26 -4.75 115.64 109.67 1j9t s THR 103 Ca 0.59 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1j9t s THR 103 Cb -0.11 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.26 1j9t s THR 103 CO 0.42 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 175.24 1j9t n GLY 104 N 4.91 3.00 4.29 4.40 0.00 -1.26 -4.93 105.19 115.59 1j9t n GLY 104 Ca -0.12 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1j9t n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9t n ALA 105 N -0.21 -2.03 -3.85 4.61 0.00 -1.26 -0.23 120.51 117.54 1j9t n ALA 105 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 53.44 52.73 1j9t n ALA 105 Cb 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 19.45 18.61 1j9t n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j9t n LEU 106 N -4.58 -2.74 0.00 0.00 4.77 -1.26 -0.72 117.00 112.48 1j9t n LEU 106 Ca -0.31 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 1j9t n LEU 106 Cb 0.68 -2.66 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 1j9t n LEU 106 CO 0.83 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 1j9t n GLY 107 N -1.76 0.51 0.00 -0.72 0.00 0.68 -3.05 105.19 100.84 1j9t n GLY 107 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1j9t n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9t n GLY 108 N -2.60 0.78 0.34 -0.02 0.00 0.10 -0.21 105.19 103.58 1j9t n GLY 108 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j9t n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j9t h GLY 109 N 0.00 1.05 1.76 -0.02 0.00 -0.61 -2.02 103.07 103.23 1j9t h GLY 109 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1j9t h GLY 109 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.56 1j9t n GLY 110 N -1.33 -0.84 0.02 4.60 0.00 -0.74 -2.88 105.19 104.02 1j9t n GLY 110 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1j9t n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j9t n LEU 111 N -1.38 1.13 -0.14 0.99 4.77 -0.78 -4.75 117.00 116.83 1j9t n LEU 111 Ca 0.05 -1.09 0.07 0.00 -0.03 0.00 0.00 56.01 55.01 1j9t n LEU 111 Cb 0.13 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1j9t n LEU 111 CO 0.12 0.28 0.49 0.35 -1.33 0.00 0.00 177.39 177.30 1j9t n THR 112 N -0.02 1.40 -2.05 -5.08 -2.24 -1.06 -4.93 114.28 100.31 1j9t n THR 112 Ca 0.00 -1.66 -0.43 0.00 -2.27 0.00 0.00 64.05 59.70 1j9t n THR 112 Cb 0.04 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1j9t n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1j9t s GLU 113 N -2.08 3.66 -0.03 -0.78 2.02 -1.25 -4.02 118.70 116.23 1j9t s GLU 113 Ca 0.22 1.64 0.05 0.00 0.02 0.00 0.00 54.97 56.90 1j9t s GLU 113 Cb 0.19 -4.09 -0.01 0.00 0.10 0.00 0.00 34.13 30.32 1j9t s GLU 113 CO 0.02 -1.46 -0.17 0.96 0.02 0.00 0.00 175.26 174.64 1j9t s ILE 114 N 5.72 1.37 0.52 -1.63 -4.36 0.15 -4.97 121.20 118.00 1j9t s ILE 114 Ca 0.75 -0.71 0.01 0.00 -0.26 0.00 0.00 60.65 60.44 1j9t s ILE 114 Cb -0.25 -1.16 0.02 0.00 1.25 0.00 0.00 42.46 42.32 1j9t s ILE 114 CO 0.31 0.39 0.75 0.20 0.24 0.00 0.00 174.94 176.83 1j9t s ASN 115 N -0.16 5.44 0.21 4.36 0.02 -1.26 -1.31 114.94 122.25 1j9t s ASN 115 Ca 0.01 0.09 -0.32 0.00 -1.02 0.00 0.00 52.86 51.62 1j9t s ASN 115 Cb -0.09 -1.08 -0.13 0.00 0.02 0.00 0.00 41.25 39.97 1j9t s ASN 115 CO 0.01 -1.01 1.63 -2.65 0.02 0.00 0.00 177.10 175.10 1j9t n PRO 116 N -2.27 2.52 -0.08 -0.60 -0.02 -1.26 -1.32 135.00 131.97 1j9t n PRO 116 Ca 0.06 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1j9t n PRO 116 Cb 0.59 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1j9t n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j9t n GLY 117 N 3.32 0.67 3.47 -1.23 0.00 0.27 -4.66 105.19 107.03 1j9t n GLY 117 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1j9t n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9t s GLU 118 N -0.92 1.67 0.11 1.61 2.02 -0.43 -4.89 118.70 117.87 1j9t s GLU 118 Ca 0.00 -1.78 -0.02 0.00 0.02 0.00 0.00 54.97 53.19 1j9t s GLU 118 Cb 0.00 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.50 1j9t s GLU 118 CO 0.00 0.28 0.07 -1.59 0.02 0.00 0.00 175.26 174.04 1j9t s LYS 119 N -3.54 0.86 0.12 1.61 -2.85 -1.26 -1.10 119.74 113.58 1j9t s LYS 119 Ca 0.30 -1.32 -0.14 0.00 -1.00 0.00 0.00 55.97 53.80 1j9t s LYS 119 Cb -0.03 0.25 0.03 0.00 -2.06 0.00 0.00 37.83 36.02 1j9t s LYS 119 CO 0.14 -0.24 0.35 -0.08 0.10 0.00 0.00 175.35 175.63 1j9t s THR 120 N -3.99 0.09 -0.10 3.79 -1.32 -0.50 -5.00 115.64 108.61 1j9t s THR 120 Ca 0.18 -0.71 -0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1j9t s THR 120 Cb 0.07 -1.20 0.02 0.00 -1.51 0.00 0.00 72.50 69.88 1j9t s THR 120 CO -0.02 -0.39 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.31 1j9t s ILE 121 N -3.80 0.85 -0.08 5.08 1.01 -1.26 -0.68 121.20 122.32 1j9t s ILE 121 Ca 0.03 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.53 1j9t s ILE 121 Cb 0.03 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 1j9t s ILE 121 CO -0.12 0.33 -0.19 -0.22 0.00 0.00 0.00 174.94 174.74 1j9t s LEU 122 N 1.64 2.40 -0.05 2.97 2.96 -0.17 -4.97 118.68 123.46 1j9t s LEU 122 Ca 0.02 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1j9t s LEU 122 Cb -0.13 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 1j9t s LEU 122 CO -0.06 0.24 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.40 1j9t s ARG 123 N -0.14 2.15 -0.01 1.98 3.52 -1.26 -0.41 118.95 124.78 1j9t s ARG 123 Ca -0.03 -0.76 -0.08 0.00 -0.13 0.00 0.00 55.73 54.73 1j9t s ARG 123 Cb -0.14 -1.85 0.01 0.00 -1.56 0.00 0.00 34.95 31.40 1j9t s ARG 123 CO 0.04 0.32 0.16 -0.59 -0.81 0.00 0.00 175.30 174.42 1j9t s PHE 124 N -0.09 -0.01 -0.18 5.12 -0.12 -0.76 -4.97 117.98 116.97 1j9t s PHE 124 Ca -0.03 -0.02 -0.25 0.00 -0.05 0.00 0.00 56.93 56.58 1j9t s PHE 124 Cb -0.12 -0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.23 1j9t s PHE 124 CO 0.03 -0.28 0.83 0.21 -0.05 0.00 0.00 175.22 175.96 1j9t s LYS 125 N -1.21 4.28 -1.32 1.99 2.20 -1.26 -0.56 119.74 123.85 1j9t s LYS 125 Ca -0.13 0.99 -0.17 0.00 -0.36 0.00 0.00 55.97 56.31 1j9t s LYS 125 Cb -0.07 -3.58 0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1j9t s LYS 125 CO 0.02 -0.35 1.94 0.00 -0.36 0.00 0.00 175.35 176.59 1j9t n ALA 126 N 5.34 4.15 0.23 3.13 0.00 -0.27 -4.76 120.51 128.33 1j9t n ALA 126 Ca 0.04 -3.78 0.12 0.00 0.00 0.00 0.00 53.44 49.82 1j9t n ALA 126 Cb 0.49 -3.58 0.45 0.00 0.00 0.00 0.00 19.45 16.80 1j9t n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1j9t h THR 127 N 4.99 0.36 -3.63 0.00 1.35 -1.85 0.31 112.91 114.44 1j9t h THR 127 Ca 0.48 -1.04 -0.67 0.00 -0.55 0.00 0.00 66.41 64.62 1j9t h THR 127 Cb 0.78 1.78 -0.28 0.00 -1.73 0.00 0.00 68.15 68.71 1j9t h THR 127 CO 1.62 0.16 -0.81 -0.54 -0.25 0.00 0.00 175.52 175.70 1j9t s LYS 128 N -3.54 2.97 0.15 4.72 1.02 -1.26 -4.74 119.74 119.06 1j9t s LYS 128 Ca 0.02 -0.76 -0.24 0.00 0.02 0.00 0.00 55.97 55.01 1j9t s LYS 128 Cb 0.09 -2.43 -0.08 0.00 -0.52 0.00 0.00 37.83 34.89 1j9t s LYS 128 CO 0.63 0.34 0.73 -1.25 -0.92 0.00 0.00 175.35 174.88 1j9t s PRO 129 N -0.00 4.49 0.00 -1.68 0.04 -1.26 -4.79 135.00 131.79 1j9t s PRO 129 Ca -0.06 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1j9t s PRO 129 Cb -0.15 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1j9t s PRO 129 CO 0.05 0.58 0.00 0.41 0.04 0.00 0.00 177.00 178.07 1j9t n GLY 130 N 1.58 0.00 3.76 0.56 0.00 0.65 -2.17 105.19 109.57 1j9t n GLY 130 Ca -0.06 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 1j9t n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j9t s VAL 131 N -2.10 4.82 0.02 1.61 -7.23 0.10 0.52 120.40 118.14 1j9t s VAL 131 Ca 0.00 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1j9t s VAL 131 Cb 0.00 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 1j9t s VAL 131 CO 0.00 0.61 -0.03 -0.36 -0.31 0.00 0.00 175.10 175.00 1j9t s PHE 132 N -0.90 0.28 0.47 2.82 0.08 -0.27 -4.50 117.98 115.97 1j9t s PHE 132 Ca 0.14 -0.43 -0.19 0.00 0.12 0.00 0.00 56.93 56.57 1j9t s PHE 132 Cb -0.12 -0.19 -0.09 0.00 -0.57 0.00 0.00 43.02 42.05 1j9t s PHE 132 CO 0.03 -0.14 0.97 0.08 -0.10 0.00 0.00 175.22 176.06 1j9t s VAL 133 N -1.17 4.46 0.01 -0.44 1.01 -1.26 -0.65 120.40 122.36 1j9t s VAL 133 Ca -0.12 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.23 1j9t s VAL 133 Cb -0.08 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1j9t s VAL 133 CO -0.01 -0.50 -0.04 -0.72 0.00 0.00 0.00 175.10 173.83 1j9t s TYR 134 N -2.40 0.37 0.16 5.22 -0.85 -0.77 -1.45 117.35 117.64 1j9t s TYR 134 Ca 0.60 -0.19 -0.18 0.00 -0.52 0.00 0.00 57.07 56.78 1j9t s TYR 134 Cb -0.09 -0.24 0.04 0.00 0.38 0.00 0.00 41.96 42.05 1j9t s TYR 134 CO 0.22 -0.04 0.50 -3.38 -1.52 0.00 0.00 175.55 171.34 1j9t s HIS 135 N -0.45 -0.25 0.43 -3.49 -3.43 -0.35 -0.77 115.29 106.98 1j9t s HIS 135 Ca -0.02 -0.05 -0.23 0.00 -0.80 0.00 0.00 55.06 53.95 1j9t s HIS 135 Cb -0.04 0.39 -0.08 0.00 -1.43 0.00 0.00 32.58 31.42 1j9t s HIS 135 CO -0.00 -0.83 1.10 0.00 -2.00 0.00 0.00 174.74 173.00 1j9t n ALA 137 N -0.26 -0.16 -2.17 0.00 0.00 -1.26 -4.58 120.51 112.08 1j9t n ALA 137 Ca 0.06 -1.94 -0.42 0.00 0.00 0.00 0.00 53.44 51.15 1j9t n ALA 137 Cb 0.49 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1j9t n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1j9t s PRO 138 N -0.28 4.46 0.04 0.00 0.02 -1.26 -4.88 135.00 133.09 1j9t s PRO 138 Ca 0.28 1.87 -0.37 0.00 0.02 0.00 0.00 61.00 62.80 1j9t s PRO 138 Cb 0.29 -3.27 -0.16 0.00 0.02 0.00 0.00 34.50 31.38 1j9t s PRO 138 CO -0.09 -0.18 1.46 -2.30 -0.33 0.00 0.00 177.00 175.56 1j9t n PRO 139 N 3.08 1.33 0.00 5.54 -0.02 -1.26 -1.46 135.00 142.21 1j9t n PRO 139 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1j9t n PRO 139 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1j9t n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j9t n GLY 140 N 2.97 3.01 1.98 -1.23 0.00 -1.26 -4.84 105.19 105.82 1j9t n GLY 140 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1j9t n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1j9t n MET 141 N -2.00 1.04 0.29 1.61 0.00 -0.53 -4.96 117.12 112.57 1j9t n MET 141 Ca 0.00 -2.84 -0.12 0.00 0.00 0.00 0.00 57.70 54.75 1j9t n MET 141 Cb 0.00 -0.91 -0.05 0.00 0.00 0.00 0.00 33.22 32.26 1j9t n MET 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1j9t h VAL 142 N 5.66 0.00 -0.69 3.17 2.07 -1.87 -2.76 116.25 121.83 1j9t h VAL 142 Ca -0.14 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1j9t h VAL 142 Cb 1.56 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1j9t h VAL 142 CO 0.17 0.00 0.44 1.55 0.02 0.00 0.00 177.57 179.75 1j9t h PRO 143 N -0.89 0.86 -0.42 1.57 0.13 -1.93 -1.85 132.00 129.47 1j9t h PRO 143 Ca -0.08 -0.05 0.08 0.00 -0.87 0.00 0.00 66.00 65.08 1j9t h PRO 143 Cb 0.58 -0.19 -0.07 0.00 0.13 0.00 0.00 31.00 31.44 1j9t h PRO 143 CO 0.13 0.57 -0.01 2.35 -0.23 0.00 0.00 178.00 180.80 1j9t h TRP 144 N 0.89 -0.05 -0.46 1.56 7.01 -1.95 0.16 115.95 123.10 1j9t h TRP 144 Ca 0.27 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 61.17 1j9t h TRP 144 Cb -0.04 0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1j9t h TRP 144 CO -0.04 -0.10 -0.20 0.45 -2.79 0.00 0.00 178.44 175.76 1j9t h HIS 145 N 0.09 1.06 -0.28 2.65 3.86 -1.30 -2.43 115.15 118.80 1j9t h HIS 145 Ca 0.21 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1j9t h HIS 145 Cb 0.30 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1j9t h HIS 145 CO -0.29 1.04 0.09 0.28 0.86 0.00 0.00 177.93 179.92 1j9t h VAL 146 N 0.81 1.19 0.00 2.45 2.07 -0.66 -2.22 116.25 119.89 1j9t h VAL 146 Ca 0.11 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1j9t h VAL 146 Cb 0.76 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1j9t h VAL 146 CO 0.06 0.21 0.00 1.33 0.02 0.00 0.00 177.57 179.19 1j9t n VAL 147 N -4.72 0.00 -0.36 2.57 0.24 0.49 -1.55 118.33 115.00 1j9t n VAL 147 Ca -0.02 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.39 1j9t n VAL 147 Cb 0.16 -0.23 0.33 0.00 -1.47 0.00 0.00 33.84 32.62 1j9t n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1j9t n SER 148 N -0.70 3.98 0.00 -1.34 7.64 -0.86 -4.63 113.62 117.71 1j9t n SER 148 Ca 0.09 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1j9t n SER 148 Cb 0.04 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1j9t n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j9t n GLY 149 N 1.66 0.77 3.02 0.23 0.00 -0.60 -1.82 105.19 108.46 1j9t n GLY 149 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1j9t n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1j9t n MET 150 N -2.22 3.36 -3.49 1.61 0.00 -0.85 -4.60 117.12 110.94 1j9t n MET 150 Ca 0.00 -3.36 -0.11 0.00 0.00 0.00 0.00 57.70 54.22 1j9t n MET 150 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 33.22 30.11 1j9t n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1j9t s ASN 151 N 2.09 -0.51 0.00 6.12 2.20 -1.26 -1.47 114.94 122.11 1j9t s ASN 151 Ca 0.43 -0.09 0.00 0.00 -0.94 0.00 0.00 52.86 52.26 1j9t s ASN 151 Cb 0.08 0.60 0.00 0.00 -2.00 0.00 0.00 41.25 39.93 1j9t s ASN 151 CO -0.01 -1.00 0.00 0.61 -2.94 0.00 0.00 177.10 173.76 1j9t n GLY 152 N -0.38 2.84 3.59 0.45 0.00 0.05 -0.36 105.19 111.40 1j9t n GLY 152 Ca -0.16 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1j9t n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9t s ALA 153 N -1.00 -1.04 0.14 4.61 0.00 -1.26 -1.86 121.76 121.35 1j9t s ALA 153 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1j9t s ALA 153 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1j9t s ALA 153 CO 0.00 -0.86 -0.06 0.96 0.00 0.00 0.00 175.76 175.80 1j9t s ILE 154 N -3.88 0.86 -0.09 0.00 -4.36 0.18 -3.06 121.20 110.84 1j9t s ILE 154 Ca 0.09 -1.99 0.03 0.00 -0.26 0.00 0.00 60.65 58.52 1j9t s ILE 154 Cb -0.02 -1.87 0.01 0.00 1.25 0.00 0.00 42.46 41.83 1j9t s ILE 154 CO -0.01 -0.72 -0.17 -0.32 0.24 0.00 0.00 174.94 173.97 1j9t s MET 155 N -3.83 2.29 -0.42 0.37 -2.45 0.10 -1.11 119.30 114.26 1j9t s MET 155 Ca 0.17 -0.61 -0.04 0.00 -1.25 0.00 0.00 55.69 53.97 1j9t s MET 155 Cb 0.05 -1.84 0.11 0.00 1.25 0.00 0.00 34.83 34.39 1j9t s MET 155 CO -0.00 0.04 0.22 0.08 1.05 0.00 0.00 175.02 176.41 1j9t s VAL 156 N 0.68 3.40 0.42 10.11 1.01 0.18 -1.16 120.40 135.03 1j9t s VAL 156 Ca -0.13 -2.03 -0.22 0.00 0.00 0.00 0.00 61.98 59.60 1j9t s VAL 156 Cb -0.16 -3.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 1j9t s VAL 156 CO 0.03 -0.70 0.96 -0.76 0.00 0.00 0.00 175.10 174.63 1j9t s LEU 157 N 1.16 4.00 0.53 3.92 1.43 0.07 -0.25 118.68 129.53 1j9t s LEU 157 Ca 0.08 1.75 -0.21 0.00 -1.03 0.00 0.00 54.13 54.72 1j9t s LEU 157 Cb -0.23 -4.45 -0.06 0.00 0.03 0.00 0.00 46.19 41.48 1j9t s LEU 157 CO -0.04 -0.36 1.21 -2.84 0.23 0.00 0.00 176.35 174.56 1j9t s PRO 158 N -3.00 3.34 0.51 1.29 0.02 -1.26 -0.13 135.00 135.77 1j9t s PRO 158 Ca 0.61 1.87 0.23 0.00 0.02 0.00 0.00 61.00 63.72 1j9t s PRO 158 Cb -0.12 -2.18 1.32 0.00 0.02 0.00 0.00 34.50 33.54 1j9t s PRO 158 CO 0.16 -0.92 1.99 0.00 -0.33 0.00 0.00 177.00 177.90 1j9t h ARG 159 N 1.47 0.08 -0.66 5.54 3.08 -1.88 0.98 114.38 122.99 1j9t h ARG 159 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1j9t h ARG 159 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1j9t h ARG 159 CO 0.58 0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.92 1j9t n GLU 160 N -4.41 3.54 -0.03 0.04 -0.58 -1.26 -0.19 120.64 117.75 1j9t n GLU 160 Ca 0.10 -2.24 0.00 0.00 -0.42 0.00 0.00 57.16 54.60 1j9t n GLU 160 Cb 0.55 -1.93 -0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1j9t n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j9t n GLY 161 N 0.65 -2.03 3.89 0.62 0.00 0.34 -4.80 105.19 103.86 1j9t n GLY 161 Ca 0.20 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1j9t n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j9t s LEU 162 N 0.00 4.07 0.05 0.99 1.43 -1.26 -4.28 118.68 119.68 1j9t s LEU 162 Ca 0.00 0.86 -0.02 0.00 -1.03 0.00 0.00 54.13 53.94 1j9t s LEU 162 Cb 0.00 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1j9t s LEU 162 CO 0.00 -0.17 0.01 -1.00 0.23 0.00 0.00 176.35 175.41 1j9t s HIS 163 N -2.01 0.44 0.35 0.29 3.76 -1.26 -1.04 115.29 115.81 1j9t s HIS 163 Ca 0.46 -0.94 -0.03 0.00 -0.15 0.00 0.00 55.06 54.40 1j9t s HIS 163 Cb -0.11 -0.32 0.07 0.00 1.11 0.00 0.00 32.58 33.34 1j9t s HIS 163 CO 0.26 -0.39 0.47 -0.40 -0.85 0.00 0.00 174.74 173.84 1j9t n ASP 164 N 0.22 0.31 0.16 1.40 3.85 0.11 -4.82 116.55 117.78 1j9t n ASP 164 Ca -0.15 -1.34 0.12 0.00 -0.71 0.00 0.00 54.79 52.71 1j9t n ASP 164 Cb 0.61 -0.34 0.56 0.00 -1.35 0.00 0.00 41.12 40.60 1j9t n ASP 164 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1j9t h GLY 165 N -0.47 0.00 -2.23 6.12 0.00 -1.88 -2.17 103.07 102.45 1j9t h GLY 165 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1j9t h GLY 165 CO 0.14 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.96 1j9t n LYS 166 N -2.30 2.93 -0.89 4.80 5.02 -1.26 -4.94 118.16 121.52 1j9t n LYS 166 Ca 0.00 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.79 1j9t n LYS 166 Cb 0.14 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1j9t n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j9t n GLY 167 N 1.11 0.77 3.70 0.72 0.00 -0.81 -5.01 105.19 105.66 1j9t n GLY 167 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1j9t n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j9t s LYS 168 N -0.11 4.48 0.47 1.61 -0.14 -1.26 -4.74 119.74 120.05 1j9t s LYS 168 Ca 0.00 1.38 -0.24 0.00 -1.36 0.00 0.00 55.97 55.75 1j9t s LYS 168 Cb 0.00 -3.50 -0.08 0.00 -1.68 0.00 0.00 37.83 32.57 1j9t s LYS 168 CO 0.00 -0.18 1.28 0.00 -0.76 0.00 0.00 175.35 175.69 1j9t n ALA 169 N 4.45 1.33 -3.89 5.17 0.00 -1.26 0.05 120.51 126.36 1j9t n ALA 169 Ca 0.07 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 1j9t n ALA 169 Cb 0.50 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 1j9t n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j9t s LEU 170 N -2.16 3.36 -0.21 0.00 1.43 -0.21 -4.76 118.68 116.13 1j9t s LEU 170 Ca 0.64 -1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 51.93 1j9t s LEU 170 Cb -0.48 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 1j9t s LEU 170 CO 0.55 -0.37 -0.01 -0.89 0.23 0.00 0.00 176.35 175.87 1j9t s THR 171 N 1.28 3.79 0.26 5.49 2.01 -1.26 -4.22 115.64 122.99 1j9t s THR 171 Ca 0.07 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1j9t s THR 171 Cb -0.18 -2.72 -0.06 0.00 0.01 0.00 0.00 72.50 69.55 1j9t s THR 171 CO -0.14 0.42 0.54 -0.72 -0.69 0.00 0.00 174.62 174.02 1j9t s TYR 172 N 1.19 3.46 -0.09 4.92 -0.85 -1.26 -4.84 117.35 119.89 1j9t s TYR 172 Ca 0.03 0.69 0.05 0.00 -0.52 0.00 0.00 57.07 57.31 1j9t s TYR 172 Cb -0.15 -2.13 -0.24 0.00 0.38 0.00 0.00 41.96 39.82 1j9t s TYR 172 CO 0.01 0.22 0.50 -0.25 -1.52 0.00 0.00 175.55 174.50 1j9t n ASP 173 N -0.65 1.37 -3.98 -0.18 8.00 0.18 -4.97 116.55 116.32 1j9t n ASP 173 Ca -0.01 0.30 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 1j9t n ASP 173 Cb 0.53 -0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 1j9t n ASP 173 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1j9t s LYS 174 N -2.58 0.51 -0.01 -1.24 1.02 -1.03 -5.02 119.74 111.39 1j9t s LYS 174 Ca -0.13 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1j9t s LYS 174 Cb 0.07 0.19 0.01 0.00 -0.52 0.00 0.00 37.83 37.59 1j9t s LYS 174 CO 0.80 -0.11 0.00 -1.50 -0.92 0.00 0.00 175.35 173.62 1j9t s ILE 175 N -2.57 0.07 0.08 2.17 2.07 -1.26 -1.54 121.20 120.22 1j9t s ILE 175 Ca -0.05 0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.31 1j9t s ILE 175 Cb -0.02 -0.13 -0.03 0.00 0.13 0.00 0.00 42.46 42.42 1j9t s ILE 175 CO -0.05 0.07 -0.20 -0.31 -1.91 0.00 0.00 174.94 172.54 1j9t s TYR 176 N 0.49 1.70 -0.25 3.50 2.02 -0.61 -4.40 117.35 119.80 1j9t s TYR 176 Ca -0.04 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 1j9t s TYR 176 Cb -0.07 -0.96 0.05 0.00 -0.40 0.00 0.00 41.96 40.58 1j9t s TYR 176 CO -0.01 0.15 -0.11 -0.47 -1.57 0.00 0.00 175.55 173.54 1j9t s TYR 177 N -1.06 3.14 -0.39 2.71 5.04 0.76 -0.97 117.35 126.58 1j9t s TYR 177 Ca 0.05 -2.02 -0.11 0.00 -2.44 0.00 0.00 57.07 52.56 1j9t s TYR 177 Cb -0.10 -1.97 0.04 0.00 0.35 0.00 0.00 41.96 40.29 1j9t s TYR 177 CO 0.03 -0.83 0.23 0.08 -1.34 0.00 0.00 175.55 173.72 1j9t s VAL 178 N 1.19 4.56 -0.18 3.14 1.01 0.52 -4.18 120.40 126.46 1j9t s VAL 178 Ca -0.04 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 1j9t s VAL 178 Cb -0.18 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1j9t s VAL 178 CO -0.06 -0.32 0.32 -0.83 0.00 0.00 0.00 175.10 174.21 1j9t s GLY 179 N 1.73 2.17 -0.15 4.51 0.00 -1.26 -2.13 107.32 112.18 1j9t s GLY 179 Ca 0.02 -0.49 -0.06 0.00 0.00 0.00 0.00 44.72 44.19 1j9t s GLY 179 CO 0.06 0.55 0.04 1.85 0.00 0.00 0.00 173.10 175.60 1j9t s GLU 180 N 0.74 3.70 -0.12 2.90 2.12 -0.14 -2.06 118.70 125.84 1j9t s GLU 180 Ca 0.17 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.15 1j9t s GLU 180 Cb -0.14 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.19 1j9t s GLU 180 CO 0.05 0.40 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.88 1j9t s GLN 181 N 0.00 2.26 -0.12 4.30 2.00 0.65 -4.44 119.66 124.31 1j9t s GLN 181 Ca 0.05 -0.57 -0.20 0.00 -2.00 0.00 0.00 55.36 52.64 1j9t s GLN 181 Cb -0.12 -1.94 -0.04 0.00 0.80 0.00 0.00 33.01 31.71 1j9t s GLN 181 CO 0.01 -0.09 0.54 0.16 -0.50 0.00 0.00 175.29 175.42 1j9t s ASP 182 N 1.07 6.74 0.07 6.67 3.84 -1.26 -1.33 116.67 132.47 1j9t s ASP 182 Ca -0.05 0.89 0.08 0.00 -0.00 0.00 0.00 52.55 53.48 1j9t s ASP 182 Cb -0.15 -2.32 -0.03 0.00 -1.38 0.00 0.00 42.92 39.04 1j9t s ASP 182 CO -0.03 -0.06 -0.20 -0.36 -0.00 0.00 0.00 175.17 174.51 1j9t s PHE 183 N 0.86 2.49 -0.54 2.11 0.08 0.03 -4.76 117.98 118.25 1j9t s PHE 183 Ca 0.29 -0.30 0.04 0.00 0.12 0.00 0.00 56.93 57.08 1j9t s PHE 183 Cb -0.16 -1.40 0.15 0.00 -0.57 0.00 0.00 43.02 41.05 1j9t s PHE 183 CO 0.12 0.28 0.34 0.71 -0.10 0.00 0.00 175.22 176.57 1j9t s TYR 184 N -0.98 2.59 -0.18 0.36 1.51 -1.26 -1.01 117.35 118.38 1j9t s TYR 184 Ca 0.15 -2.85 -0.17 0.00 -1.01 0.00 0.00 57.07 53.19 1j9t s TYR 184 Cb -0.10 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1j9t s TYR 184 CO 0.06 -0.70 0.45 0.08 -1.11 0.00 0.00 175.55 174.33 1j9t s VAL 185 N -0.40 5.17 0.67 0.71 1.01 -1.26 -4.76 120.40 121.53 1j9t s VAL 185 Ca 0.22 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 62.88 1j9t s VAL 185 Cb -0.14 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1j9t s VAL 185 CO -0.08 0.24 1.20 -2.84 0.00 0.00 0.00 175.10 173.62 1j9t s PRO 186 N 1.28 2.54 0.12 2.72 0.02 -1.26 -4.90 135.00 135.51 1j9t s PRO 186 Ca 0.22 1.74 0.07 0.00 0.02 0.00 0.00 61.00 63.05 1j9t s PRO 186 Cb -0.15 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1j9t s PRO 186 CO 0.09 -1.52 -0.17 1.03 -0.33 0.00 0.00 177.00 176.09 1j9t s ARG 187 N -3.72 1.10 0.82 5.54 0.52 -1.26 -1.33 118.95 120.62 1j9t s ARG 187 Ca 0.75 -1.22 -0.08 0.00 -0.52 0.00 0.00 55.73 54.65 1j9t s ARG 187 Cb -0.29 -1.17 0.15 0.00 0.52 0.00 0.00 34.95 34.16 1j9t s ARG 187 CO 0.40 0.25 1.14 0.16 0.02 0.00 0.00 175.30 177.27 1j9t s ASP 188 N -2.24 3.90 0.04 0.23 1.47 0.61 -4.84 116.67 115.82 1j9t s ASP 188 Ca 0.09 0.06 0.06 0.00 1.18 0.00 0.00 52.55 53.93 1j9t s ASP 188 Cb -0.07 -0.34 0.27 0.00 -0.34 0.00 0.00 42.92 42.44 1j9t s ASP 188 CO 0.04 -2.20 1.19 -1.84 0.68 0.00 0.00 175.17 173.04 1j9t n GLU 189 N -3.26 0.02 -0.00 2.11 0.28 -1.26 -0.61 120.64 117.91 1j9t n GLU 189 Ca 0.14 0.45 0.13 0.00 -0.16 0.00 0.00 57.16 57.72 1j9t n GLU 189 Cb 0.60 -1.55 0.25 0.00 1.43 0.00 0.00 31.44 32.17 1j9t n GLU 189 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j9t n ASN 190 N -1.59 2.48 0.00 -1.84 3.02 -1.26 -4.94 115.26 111.14 1j9t n ASN 190 Ca 0.01 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1j9t n ASN 190 Cb 0.05 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1j9t n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j9t n GLY 191 N 1.29 0.75 3.77 7.41 0.00 0.22 -5.05 105.19 113.58 1j9t n GLY 191 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1j9t n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j9t s LYS 192 N -0.44 4.33 0.33 1.61 3.01 -1.26 -4.75 119.74 122.57 1j9t s LYS 192 Ca 0.00 0.78 -0.29 0.00 -1.01 0.00 0.00 55.97 55.45 1j9t s LYS 192 Cb 0.00 -3.33 -0.11 0.00 -1.01 0.00 0.00 37.83 33.38 1j9t s LYS 192 CO 0.00 0.40 1.48 0.71 0.51 0.00 0.00 175.35 178.46 1j9t s TYR 193 N -0.34 2.77 0.43 3.18 1.51 -1.26 -0.28 117.35 123.36 1j9t s TYR 193 Ca 0.32 1.08 -0.10 0.00 -1.01 0.00 0.00 57.07 57.35 1j9t s TYR 193 Cb -0.19 -3.95 -0.06 0.00 -0.11 0.00 0.00 41.96 37.65 1j9t s TYR 193 CO 0.18 -2.94 0.80 0.15 -1.11 0.00 0.00 175.55 172.64 1j9t s LYS 194 N -1.34 3.75 0.11 -0.62 1.02 -0.45 -4.82 119.74 117.39 1j9t s LYS 194 Ca 0.56 0.48 0.10 0.00 0.02 0.00 0.00 55.97 57.13 1j9t s LYS 194 Cb -0.45 -2.35 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1j9t s LYS 194 CO 0.54 -0.10 -0.25 0.15 -0.92 0.00 0.00 175.35 174.78 1j9t s LYS 195 N -4.05 1.36 0.09 1.68 1.02 -1.26 -4.75 119.74 113.83 1j9t s LYS 195 Ca 0.51 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 55.31 1j9t s LYS 195 Cb -0.10 -1.72 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 1j9t s LYS 195 CO 0.34 0.41 -0.12 0.71 -0.92 0.00 0.00 175.35 175.78 1j9t s TYR 196 N -1.04 1.14 -0.01 3.18 2.02 -1.26 -5.07 117.35 116.30 1j9t s TYR 196 Ca 0.11 -0.56 -0.23 0.00 -0.37 0.00 0.00 57.07 56.02 1j9t s TYR 196 Cb -0.10 -0.62 -0.20 0.00 -0.40 0.00 0.00 41.96 40.64 1j9t s TYR 196 CO 0.05 0.04 1.19 0.93 -1.57 0.00 0.00 175.55 176.18 1j9t h GLU 197 N 3.86 0.22 -5.55 -0.62 5.08 -2.01 -3.47 114.58 112.08 1j9t h GLU 197 Ca -0.39 -0.16 -0.44 0.00 -1.00 0.00 0.00 59.36 57.37 1j9t h GLU 197 Cb 1.19 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.30 1j9t h GLU 197 CO 0.47 0.78 -0.75 0.00 -1.00 0.00 0.00 179.01 178.52 1j9t s ALA 198 N -3.75 1.74 0.18 3.43 0.00 -1.26 -5.07 121.76 117.04 1j9t s ALA 198 Ca -0.15 -1.45 -0.19 0.00 0.00 0.00 0.00 51.96 50.17 1j9t s ALA 198 Cb 0.03 -0.09 0.13 0.00 0.00 0.00 0.00 23.12 23.18 1j9t s ALA 198 CO 0.74 0.11 1.62 -1.35 0.00 0.00 0.00 175.76 176.87 1j9t h PRO 199 N 3.15 -0.13 -0.08 0.00 0.11 -1.94 -1.64 132.00 131.47 1j9t h PRO 199 Ca -0.40 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.74 1j9t h PRO 199 Cb 1.20 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1j9t h PRO 199 CO 0.55 -0.09 0.06 0.78 -0.21 0.00 0.00 178.00 179.09 1j9t h GLY 200 N -0.14 0.00 1.78 -0.55 0.00 -2.00 -2.35 103.07 99.82 1j9t h GLY 200 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1j9t h GLY 200 CO -0.56 0.00 0.13 -0.55 0.00 0.00 0.00 176.54 175.55 1j9t h ASP 201 N 0.00 0.26 0.21 0.19 3.45 -1.71 -2.02 116.42 116.79 1j9t h ASP 201 Ca 0.04 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.49 1j9t h ASP 201 Cb 0.17 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 1j9t h ASP 201 CO -0.00 0.20 -0.16 0.00 -1.57 0.00 0.00 179.24 177.71 1j9t n ALA 202 N -2.50 2.88 0.07 3.45 0.00 -0.89 -4.57 120.51 118.95 1j9t n ALA 202 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.95 1j9t n ALA 202 Cb 0.09 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.26 1j9t n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j9t h TYR 203 N 1.23 -1.17 -0.37 0.00 5.03 -1.43 0.12 116.97 120.38 1j9t h TYR 203 Ca 0.00 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.39 1j9t h TYR 203 Cb 0.45 0.50 -0.04 0.00 1.55 0.00 0.00 36.73 39.19 1j9t h TYR 203 CO 0.00 -0.44 0.12 0.93 -1.32 0.00 0.00 178.16 177.45 1j9t h GLU 204 N -0.54 0.27 -0.61 1.82 5.08 -1.80 -0.15 114.58 118.64 1j9t h GLU 204 Ca 0.00 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1j9t h GLU 204 Cb 0.56 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1j9t h GLU 204 CO -0.24 0.18 0.40 -0.44 -1.00 0.00 0.00 179.01 177.90 1j9t h ASP 205 N 0.27 0.68 -0.29 1.42 3.45 -1.83 -2.62 116.42 117.51 1j9t h ASP 205 Ca 0.17 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 1j9t h ASP 205 Cb 0.15 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1j9t h ASP 205 CO -0.18 0.49 0.05 0.74 -1.57 0.00 0.00 179.24 178.77 1j9t h THR 206 N 0.81 1.23 -0.80 0.35 2.02 -0.51 -2.85 112.91 113.15 1j9t h THR 206 Ca 0.23 -0.77 0.07 0.00 0.77 0.00 0.00 66.41 66.71 1j9t h THR 206 Cb -0.07 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1j9t h THR 206 CO -0.06 0.25 0.53 0.58 0.37 0.00 0.00 175.52 177.18 1j9t h VAL 207 N 0.30 1.03 -0.68 3.16 2.07 -0.91 0.11 116.25 121.33 1j9t h VAL 207 Ca 0.09 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1j9t h VAL 207 Cb 0.32 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1j9t h VAL 207 CO 0.00 0.16 0.45 0.50 0.02 0.00 0.00 177.57 178.70 1j9t h LYS 208 N 0.86 0.90 -0.44 1.57 3.64 -1.26 -0.24 116.57 121.60 1j9t h LYS 208 Ca 0.35 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.52 1j9t h LYS 208 Cb 0.26 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1j9t h LYS 208 CO -0.12 0.61 -0.29 0.28 -2.27 0.00 0.00 179.45 177.65 1j9t h VAL 209 N 0.93 1.27 -0.82 2.00 2.07 -0.99 -3.04 116.25 117.68 1j9t h VAL 209 Ca 0.25 -1.46 0.07 0.00 0.82 0.00 0.00 66.70 66.37 1j9t h VAL 209 Cb -0.10 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1j9t h VAL 209 CO -0.05 0.50 0.49 0.24 0.02 0.00 0.00 177.57 178.77 1j9t h MET 210 N 0.82 0.86 0.00 1.57 2.86 -0.15 -2.01 114.93 118.88 1j9t h MET 210 Ca 0.09 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1j9t h MET 210 Cb 0.88 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1j9t h MET 210 CO 0.08 0.57 0.00 0.00 1.06 0.00 0.00 176.91 178.62 1j9t h ARG 211 N 0.89 0.00 -0.00 1.72 3.08 -0.94 0.11 114.38 119.24 1j9t h ARG 211 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1j9t h ARG 211 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1j9t h ARG 211 CO -0.19 0.00 -0.02 0.25 -1.07 0.00 0.00 179.97 178.95 1j9t n THR 212 N -2.37 0.00 -2.00 2.04 -2.24 -0.76 -4.88 114.28 104.07 1j9t n THR 212 Ca -0.00 -0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1j9t n THR 212 Cb 0.13 -0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 1j9t n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j9t n LEU 213 N -1.37 -1.43 -3.91 3.22 4.77 0.37 -4.93 117.00 113.73 1j9t n LEU 213 Ca 0.11 0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 56.02 1j9t n LEU 213 Cb 0.29 -2.51 -0.15 0.00 -2.33 0.00 0.00 43.42 38.72 1j9t n LEU 213 CO 0.25 -0.50 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.58 1j9t s THR 214 N -2.66 1.65 0.49 -5.08 2.01 -1.26 -5.11 115.64 105.67 1j9t s THR 214 Ca 0.00 -1.81 -0.22 0.00 0.31 0.00 0.00 61.69 59.97 1j9t s THR 214 Cb 0.00 -2.17 -0.07 0.00 0.01 0.00 0.00 72.50 70.28 1j9t s THR 214 CO 0.00 -0.53 1.20 -2.16 -0.69 0.00 0.00 174.62 172.43 1j9t s PRO 215 N 1.24 3.56 0.23 4.92 0.04 -1.26 -4.89 135.00 138.85 1j9t s PRO 215 Ca 0.07 1.83 0.18 0.00 0.04 0.00 0.00 61.00 63.13 1j9t s PRO 215 Cb -0.18 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.10 1j9t s PRO 215 CO -0.14 -0.73 1.24 1.79 0.04 0.00 0.00 177.00 179.20 1j9t h THR 216 N 1.66 0.47 -3.47 1.26 1.35 -1.42 -3.46 112.91 109.30 1j9t h THR 216 Ca -0.50 -1.75 -0.15 0.00 -0.55 0.00 0.00 66.41 63.46 1j9t h THR 216 Cb 1.26 2.09 -0.22 0.00 -1.73 0.00 0.00 68.15 69.55 1j9t h THR 216 CO 0.59 0.27 -0.49 -1.00 -0.25 0.00 0.00 175.52 174.64 1j9t s HIS 217 N -3.06 -0.01 -0.19 4.73 3.76 -1.13 -4.85 115.29 114.55 1j9t s HIS 217 Ca 0.02 -0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1j9t s HIS 217 Cb 0.08 -0.02 0.06 0.00 1.11 0.00 0.00 32.58 33.81 1j9t s HIS 217 CO 0.76 -0.25 0.08 0.08 -0.85 0.00 0.00 174.74 174.56 1j9t s VAL 218 N -1.08 0.11 0.18 -0.90 1.01 -0.71 -0.79 120.40 118.22 1j9t s VAL 218 Ca -0.12 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1j9t s VAL 218 Cb -0.06 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 1j9t s VAL 218 CO 0.01 -0.30 -0.12 0.68 0.00 0.00 0.00 175.10 175.37 1j9t s VAL 219 N 2.05 1.44 -0.10 2.92 -7.23 -0.44 -0.02 120.40 119.02 1j9t s VAL 219 Ca 0.02 -2.13 -0.04 0.00 -1.81 0.00 0.00 61.98 58.02 1j9t s VAL 219 Cb -0.16 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1j9t s VAL 219 CO -0.11 -0.67 0.04 -0.36 -0.31 0.00 0.00 175.10 173.69 1j9t s PHE 220 N -3.16 3.29 -1.58 2.82 0.08 -1.26 -0.25 117.98 117.92 1j9t s PHE 220 Ca 0.20 0.28 -0.15 0.00 0.12 0.00 0.00 56.93 57.38 1j9t s PHE 220 Cb 0.01 -1.84 0.11 0.00 -0.57 0.00 0.00 43.02 40.72 1j9t s PHE 220 CO 0.04 0.53 0.93 -1.71 -0.10 0.00 0.00 175.22 174.91 1j9t n ASN 221 N 2.15 -4.46 0.00 1.36 4.05 -0.87 -2.94 115.26 114.54 1j9t n ASN 221 Ca -0.19 -0.83 0.00 0.00 0.45 0.00 0.00 54.58 54.01 1j9t n ASN 221 Cb 0.54 -3.58 0.00 0.00 1.23 0.00 0.00 39.78 37.97 1j9t n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1j9t n GLY 222 N -1.61 0.83 3.53 8.20 0.00 -0.70 -4.78 105.19 110.67 1j9t n GLY 222 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1j9t n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9t s ALA 223 N -3.46 -1.88 0.26 4.61 0.00 -1.15 -4.63 121.76 115.51 1j9t s ALA 223 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 1j9t s ALA 223 Cb 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 1j9t s ALA 223 CO 0.00 -0.54 1.55 0.08 0.00 0.00 0.00 175.76 176.84 1j9t s VAL 224 N -2.33 2.32 0.00 0.00 1.01 -0.14 -2.16 120.40 119.09 1j9t s VAL 224 Ca 0.03 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1j9t s VAL 224 Cb -0.01 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1j9t s VAL 224 CO -0.05 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1j9t n GLY 225 N 2.42 0.50 0.31 4.51 0.00 -1.26 -4.84 105.19 106.82 1j9t n GLY 225 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1j9t n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9t h ALA 226 N 0.00 1.94 -0.59 4.61 0.00 -1.65 -2.54 119.26 121.02 1j9t h ALA 226 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 1j9t h ALA 226 Cb 0.16 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.68 1j9t h ALA 226 CO 0.00 -0.20 -0.43 1.28 0.00 0.00 0.00 179.25 179.91 1j9t n LEU 227 N -4.17 4.79 -4.54 0.00 4.77 -1.26 -4.77 117.00 111.82 1j9t n LEU 227 Ca 0.01 -4.39 -0.26 0.00 -0.03 0.00 0.00 56.01 51.34 1j9t n LEU 227 Cb 0.24 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 1j9t n LEU 227 CO 0.31 1.77 -0.22 0.42 -1.33 0.00 0.00 177.39 178.34 1j9t s THR 228 N -4.17 0.82 0.00 -5.08 -4.23 -0.96 -1.20 115.64 100.82 1j9t s THR 228 Ca 0.50 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1j9t s THR 228 Cb 0.42 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.83 1j9t s THR 228 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1j9t n GLY 229 N -0.91 3.75 0.00 3.99 0.00 -1.26 -0.74 105.19 110.01 1j9t n GLY 229 Ca -0.07 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1j9t n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j9t n ASP 230 N 5.97 0.00 -0.92 1.61 10.43 -1.26 -2.19 116.55 130.20 1j9t n ASP 230 Ca 0.00 0.34 0.08 0.00 2.57 0.00 0.00 54.79 57.78 1j9t n ASP 230 Cb 0.00 -0.42 0.25 0.00 1.84 0.00 0.00 41.12 42.79 1j9t n ASP 230 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1j9t n LYS 231 N -1.42 3.05 -2.14 -1.24 5.02 0.08 -5.01 118.16 116.49 1j9t n LYS 231 Ca 0.05 -2.70 -0.36 0.00 -2.02 0.00 0.00 58.31 53.28 1j9t n LYS 231 Cb 0.17 -1.75 0.01 0.00 -0.02 0.00 0.00 35.03 33.44 1j9t n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j9t s ALA 232 N -2.41 2.71 0.69 7.82 0.00 -0.93 -3.88 121.76 125.75 1j9t s ALA 232 Ca 0.39 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 1j9t s ALA 232 Cb 0.30 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1j9t s ALA 232 CO 0.11 -0.93 1.06 -1.64 0.00 0.00 0.00 175.76 174.36 1j9t s MET 233 N -3.15 2.98 0.23 0.00 -1.94 -0.29 -4.80 119.30 112.34 1j9t s MET 233 Ca 0.72 0.92 0.06 0.00 -1.71 0.00 0.00 55.69 55.68 1j9t s MET 233 Cb -0.28 -2.00 -0.05 0.00 2.01 0.00 0.00 34.83 34.51 1j9t s MET 233 CO 0.32 -1.06 -0.07 0.95 -0.01 0.00 0.00 175.02 175.15 1j9t s THR 234 N -3.07 1.45 0.08 2.05 -4.23 -1.26 -0.46 115.64 110.20 1j9t s THR 234 Ca 0.58 -2.12 -0.27 0.00 -1.18 0.00 0.00 61.69 58.70 1j9t s THR 234 Cb -0.14 -2.24 0.09 0.00 1.34 0.00 0.00 72.50 71.55 1j9t s THR 234 CO 0.55 -0.44 1.12 0.00 -0.54 0.00 0.00 174.62 175.31 1j9t s ALA 235 N -3.15 -1.93 0.18 3.99 0.00 -1.03 -4.92 121.76 114.91 1j9t s ALA 235 Ca 0.26 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.66 1j9t s ALA 235 Cb 0.03 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1j9t s ALA 235 CO 0.08 -1.05 -0.15 0.00 0.00 0.00 0.00 175.76 174.64 1j9t s ALA 236 N -2.85 1.87 0.24 0.00 0.00 -1.26 -1.63 121.76 118.12 1j9t s ALA 236 Ca 0.14 -1.54 -0.31 0.00 0.00 0.00 0.00 51.96 50.24 1j9t s ALA 236 Cb 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 23.12 22.92 1j9t s ALA 236 CO -0.00 0.10 1.60 0.28 0.00 0.00 0.00 175.76 177.73 1j9t n VAL 237 N -0.05 0.54 0.00 0.00 0.31 0.30 -1.40 118.33 118.03 1j9t n VAL 237 Ca -0.11 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1j9t n VAL 237 Cb 0.59 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1j9t n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j9t n GLY 238 N 2.89 3.19 3.77 2.92 0.00 0.56 -4.99 105.19 113.54 1j9t n GLY 238 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1j9t n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9t s GLU 239 N -0.94 4.44 -0.22 1.61 2.02 -0.49 -4.79 118.70 120.33 1j9t s GLU 239 Ca 0.00 1.52 -0.09 0.00 0.02 0.00 0.00 54.97 56.42 1j9t s GLU 239 Cb 0.00 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 1j9t s GLU 239 CO 0.00 0.11 0.10 0.15 0.02 0.00 0.00 175.26 175.64 1j9t s LYS 240 N -2.04 3.94 -0.02 1.61 1.02 -1.26 -2.28 119.74 120.71 1j9t s LYS 240 Ca 0.51 -0.35 0.05 0.00 0.02 0.00 0.00 55.97 56.21 1j9t s LYS 240 Cb -0.23 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1j9t s LYS 240 CO 0.30 0.08 -0.18 0.08 -0.92 0.00 0.00 175.35 174.70 1j9t s VAL 241 N 0.94 1.48 -0.18 3.17 1.01 0.37 0.50 120.40 127.69 1j9t s VAL 241 Ca 0.05 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1j9t s VAL 241 Cb -0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1j9t s VAL 241 CO 0.03 0.42 0.00 -0.22 0.00 0.00 0.00 175.10 175.34 1j9t s LEU 242 N -0.30 3.41 -0.31 3.92 2.96 -0.59 -0.68 118.68 127.08 1j9t s LEU 242 Ca 0.04 -0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1j9t s LEU 242 Cb -0.09 -1.85 0.06 0.00 0.50 0.00 0.00 46.19 44.82 1j9t s LEU 242 CO 0.00 0.13 0.02 -0.63 -1.32 0.00 0.00 176.35 174.55 1j9t s ILE 243 N 0.61 2.93 -0.02 6.68 1.01 0.12 -1.57 121.20 130.96 1j9t s ILE 243 Ca -0.00 -1.55 -0.20 0.00 0.00 0.00 0.00 60.65 58.90 1j9t s ILE 243 Cb -0.14 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1j9t s ILE 243 CO 0.02 -0.21 0.59 -0.69 0.00 0.00 0.00 174.94 174.66 1j9t s VAL 244 N 1.21 4.94 -0.03 2.92 1.01 -0.14 -1.47 120.40 128.84 1j9t s VAL 244 Ca -0.03 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.21 1j9t s VAL 244 Cb -0.20 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1j9t s VAL 244 CO -0.02 0.40 -0.09 -2.28 0.00 0.00 0.00 175.10 173.11 1j9t s HIS 245 N -0.08 0.98 0.09 5.22 2.46 -0.39 -0.36 115.29 123.20 1j9t s HIS 245 Ca 0.31 -0.24 0.02 0.00 0.47 0.00 0.00 55.06 55.62 1j9t s HIS 245 Cb -0.18 -0.69 -0.04 0.00 -0.13 0.00 0.00 32.58 31.54 1j9t s HIS 245 CO 0.17 -0.10 -0.08 -1.54 -2.47 0.00 0.00 174.74 170.72 1j9t s SER 246 N 0.18 1.14 -0.27 9.88 1.04 -0.91 -0.61 113.70 124.15 1j9t s SER 246 Ca -0.03 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.53 1j9t s SER 246 Cb -0.09 0.06 0.16 0.00 0.10 0.00 0.00 66.02 66.26 1j9t s SER 246 CO 0.01 -0.37 0.47 -1.58 0.98 0.00 0.00 173.24 172.75 1j9t s GLN 247 N -3.12 0.45 0.13 4.02 -0.44 -0.95 -0.97 119.66 118.76 1j9t s GLN 247 Ca 0.06 0.63 0.27 0.00 -2.50 0.00 0.00 55.36 53.82 1j9t s GLN 247 Cb 0.00 -0.06 0.98 0.00 -1.64 0.00 0.00 33.01 32.29 1j9t s GLN 247 CO -0.03 -0.72 1.83 0.00 0.50 0.00 0.00 175.29 176.87 1j9t n ALA 248 N 5.39 2.29 0.00 1.58 0.00 -1.26 -0.07 120.51 128.43 1j9t n ALA 248 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1j9t n ALA 248 Cb 0.51 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1j9t n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j9t n ASN 249 N -1.96 1.53 -3.86 0.00 5.15 -1.26 -3.17 115.26 111.69 1j9t n ASN 249 Ca 0.06 -0.02 -0.11 0.00 -0.60 0.00 0.00 54.58 53.91 1j9t n ASN 249 Cb 0.39 0.35 -0.10 0.00 -0.53 0.00 0.00 39.78 39.89 1j9t n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1j9t s ARG 250 N -0.65 0.44 0.74 1.20 3.52 -1.26 -4.71 118.95 118.22 1j9t s ARG 250 Ca 0.00 -0.29 -0.15 0.00 -0.13 0.00 0.00 55.73 55.16 1j9t s ARG 250 Cb 0.00 0.19 0.04 0.00 -1.56 0.00 0.00 34.95 33.62 1j9t s ARG 250 CO 0.00 -0.10 1.25 -0.51 -0.81 0.00 0.00 175.30 175.13 1j9t s ASP 251 N -1.14 4.01 0.17 -2.12 -0.00 -1.26 -3.56 116.67 112.76 1j9t s ASP 251 Ca -0.12 2.50 -0.09 0.00 -0.00 0.00 0.00 52.55 54.83 1j9t s ASP 251 Cb -0.06 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.24 1j9t s ASP 251 CO 0.01 -2.40 0.29 0.28 -0.00 0.00 0.00 175.17 173.35 1j9t s THR 252 N -1.79 0.06 -0.41 -1.27 -1.32 -0.37 -4.83 115.64 105.71 1j9t s THR 252 Ca 0.78 -1.38 0.04 0.00 -1.21 0.00 0.00 61.69 59.91 1j9t s THR 252 Cb -0.33 -1.85 0.17 0.00 -1.51 0.00 0.00 72.50 68.98 1j9t s THR 252 CO 0.46 -0.29 0.38 0.00 -2.21 0.00 0.00 174.62 172.96 1j9t s ARG 253 N -3.97 0.85 0.62 7.08 1.70 -1.26 -1.45 118.95 122.53 1j9t s ARG 253 Ca 0.17 -1.73 -0.18 0.00 -0.47 0.00 0.00 55.73 53.52 1j9t s ARG 253 Cb 0.03 -1.14 -0.02 0.00 -0.57 0.00 0.00 34.95 33.26 1j9t s ARG 253 CO 0.00 -1.34 1.22 -2.14 -1.08 0.00 0.00 175.30 171.97 1j9t s PRO 254 N 0.45 2.79 -0.27 3.89 0.02 -1.07 -0.10 135.00 140.71 1j9t s PRO 254 Ca 0.29 1.85 -0.14 0.00 0.02 0.00 0.00 61.00 63.02 1j9t s PRO 254 Cb -0.02 -1.90 0.09 0.00 0.02 0.00 0.00 34.50 32.68 1j9t s PRO 254 CO -0.13 -1.36 0.64 1.21 -0.33 0.00 0.00 177.00 177.03 1j9t s ASN 255 N -1.64 -0.91 -0.70 2.53 3.84 -0.29 -1.15 114.94 116.62 1j9t s ASN 255 Ca 0.78 1.44 -0.19 0.00 0.21 0.00 0.00 52.86 55.09 1j9t s ASN 255 Cb -0.31 1.46 0.11 0.00 -0.55 0.00 0.00 41.25 41.96 1j9t s ASN 255 CO 0.36 -0.23 0.86 -0.22 -2.79 0.00 0.00 177.10 175.08 1j9t s LEU 256 N 1.84 5.20 -0.02 3.21 2.96 -1.26 -1.63 118.68 128.98 1j9t s LEU 256 Ca -0.09 -1.57 -0.30 0.00 -0.22 0.00 0.00 54.13 51.95 1j9t s LEU 256 Cb -0.07 -2.34 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 1j9t s LEU 256 CO -0.19 -1.14 1.74 -0.63 -1.32 0.00 0.00 176.35 174.82 1j9t s ILE 257 N 2.80 3.38 0.00 6.68 -1.09 0.34 -0.78 121.20 132.53 1j9t s ILE 257 Ca 0.19 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1j9t s ILE 257 Cb -0.17 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1j9t s ILE 257 CO 0.02 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 1j9t n GLY 258 N 4.24 2.64 0.00 6.18 0.00 -1.26 -3.34 105.19 113.64 1j9t n GLY 258 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1j9t n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9t n GLY 259 N -1.35 5.20 3.74 -0.02 0.00 0.04 -4.99 105.19 107.81 1j9t n GLY 259 Ca 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 1j9t n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j9t s HIS 260 N 1.64 0.31 -0.68 1.61 0.09 -1.25 -4.80 115.29 112.20 1j9t s HIS 260 Ca 0.00 -0.86 -0.07 0.00 -0.00 0.00 0.00 55.06 54.13 1j9t s HIS 260 Cb 0.00 0.61 0.18 0.00 -0.00 0.00 0.00 32.58 33.36 1j9t s HIS 260 CO 0.00 -1.43 0.54 0.20 -0.00 0.00 0.00 174.74 174.06 1j9t s GLY 261 N -3.09 2.53 0.24 -2.22 0.00 0.48 -4.77 107.32 100.49 1j9t s GLY 261 Ca 0.19 -3.23 -0.04 0.00 0.00 0.00 0.00 44.72 41.63 1j9t s GLY 261 CO 0.13 1.16 1.76 -0.55 0.00 0.00 0.00 173.10 175.59 1j9t h ASP 262 N 7.38 0.41 -3.34 1.64 3.32 -1.66 -1.10 116.42 123.06 1j9t h ASP 262 Ca 0.01 0.09 -0.37 0.00 0.02 0.00 0.00 57.03 56.78 1j9t h ASP 262 Cb 0.99 0.03 -0.38 0.00 0.22 0.00 0.00 39.33 40.19 1j9t h ASP 262 CO 0.74 0.19 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.39 1j9t s TYR 263 N -6.02 0.18 -0.12 4.55 1.51 -1.05 -2.26 117.35 114.14 1j9t s TYR 263 Ca -0.12 0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1j9t s TYR 263 Cb 0.20 -0.50 0.02 0.00 -0.11 0.00 0.00 41.96 41.57 1j9t s TYR 263 CO 0.77 -0.20 -0.11 0.08 -1.11 0.00 0.00 175.55 174.99 1j9t s VAL 264 N 1.90 1.24 -1.18 0.71 1.01 0.56 -0.35 120.40 124.29 1j9t s VAL 264 Ca 0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 1j9t s VAL 264 Cb -0.12 -1.20 0.20 0.00 0.00 0.00 0.00 36.38 35.26 1j9t s VAL 264 CO -0.03 0.40 1.34 0.26 0.00 0.00 0.00 175.10 177.07 1j9t s TRP 265 N 1.50 3.73 0.28 5.22 0.51 0.39 -0.27 118.94 130.30 1j9t s TRP 265 Ca 0.02 -2.30 0.02 0.00 -2.12 0.00 0.00 56.10 51.72 1j9t s TRP 265 Cb -0.13 -4.17 0.59 0.00 -0.81 0.00 0.00 33.47 28.94 1j9t s TRP 265 CO -0.07 -1.26 1.82 0.00 -0.51 0.00 0.00 176.95 176.92 1j9t h ALA 266 N 7.01 1.53 0.00 0.98 0.00 -1.90 0.18 119.26 127.06 1j9t h ALA 266 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1j9t h ALA 266 Cb 0.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1j9t h ALA 266 CO 1.18 0.15 -0.02 0.25 0.00 0.00 0.00 179.25 180.81 1j9t n THR 267 N -4.66 0.11 -0.99 0.00 -2.24 -1.26 -4.44 114.28 100.79 1j9t n THR 267 Ca 0.20 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1j9t n THR 267 Cb 0.40 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1j9t n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9t n GLY 268 N 1.46 0.71 3.41 3.38 0.00 0.59 -4.68 105.19 110.06 1j9t n GLY 268 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1j9t n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j9t s LYS 269 N -0.05 3.58 0.61 1.61 -0.14 -1.26 0.00 119.74 124.09 1j9t s LYS 269 Ca 0.00 -0.51 0.38 0.00 -1.36 0.00 0.00 55.97 54.48 1j9t s LYS 269 Cb 0.00 -3.24 1.93 0.00 -1.68 0.00 0.00 37.83 34.84 1j9t s LYS 269 CO 0.00 -0.19 2.20 0.74 -0.76 0.00 0.00 175.35 177.34 1j9t h PHE 270 N 8.20 0.00 -0.00 3.18 0.05 -1.80 -2.08 116.94 124.49 1j9t h PHE 270 Ca -0.39 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.40 1j9t h PHE 270 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 1j9t h PHE 270 CO 0.65 0.02 -0.05 0.09 -0.18 0.00 0.00 178.31 178.84 1j9t n ASN 271 N -3.20 0.13 -4.60 2.17 3.02 -1.26 -4.55 115.26 106.97 1j9t n ASN 271 Ca -0.02 -0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.06 1j9t n ASN 271 Cb 0.17 -0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 38.97 1j9t n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1j9t s THR 272 N -2.67 5.30 0.28 3.41 2.01 -0.78 -5.05 115.64 118.15 1j9t s THR 272 Ca 0.24 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 1j9t s THR 272 Cb 0.20 -3.54 -0.13 0.00 0.01 0.00 0.00 72.50 69.03 1j9t s THR 272 CO 0.49 0.25 1.27 -2.65 -0.69 0.00 0.00 174.62 173.30 1j9t n PRO 273 N 4.98 1.89 -2.22 4.92 -0.02 -1.26 -4.84 135.00 138.45 1j9t n PRO 273 Ca -0.14 0.67 -0.36 0.00 -2.02 0.00 0.00 63.50 61.65 1j9t n PRO 273 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1j9t n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1j9t s PRO 274 N -1.19 3.42 0.62 0.52 0.04 -1.26 -4.94 135.00 132.21 1j9t s PRO 274 Ca 0.62 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 1j9t s PRO 274 Cb -0.64 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 1j9t s PRO 274 CO 0.57 -0.82 1.03 -0.51 0.04 0.00 0.00 177.00 177.31 1j9t s ASP 275 N -1.62 6.16 0.18 6.66 1.01 0.62 -4.75 116.67 124.94 1j9t s ASP 275 Ca 0.71 1.38 0.07 0.00 0.71 0.00 0.00 52.55 55.42 1j9t s ASP 275 Cb -0.26 -2.42 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 1j9t s ASP 275 CO 0.30 -0.90 -0.13 0.68 0.21 0.00 0.00 175.17 175.32 1j9t s VAL 276 N -3.18 1.55 -1.39 -1.27 -7.23 -1.26 -0.33 120.40 107.29 1j9t s VAL 276 Ca 0.55 -2.13 -0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1j9t s VAL 276 Cb -0.11 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.89 1j9t s VAL 276 CO 0.54 -0.62 0.13 0.47 -0.31 0.00 0.00 175.10 175.31 1j9t n ASP 277 N -0.25 -4.86 -4.77 4.85 10.43 -0.96 -4.93 116.55 116.07 1j9t n ASP 277 Ca -0.09 0.00 -0.39 0.00 2.57 0.00 0.00 54.79 56.87 1j9t n ASP 277 Cb 0.60 -4.05 -0.01 0.00 1.84 0.00 0.00 41.12 39.49 1j9t n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1j9t s GLN 278 N -5.23 4.10 -0.22 -1.24 -1.52 -0.45 -4.75 119.66 110.36 1j9t s GLN 278 Ca 0.08 2.04 -0.16 0.00 -1.95 0.00 0.00 55.36 55.37 1j9t s GLN 278 Cb -0.04 -2.81 -0.12 0.00 -0.22 0.00 0.00 33.01 29.82 1j9t s GLN 278 CO 0.10 -0.34 -0.14 -0.85 -0.25 0.00 0.00 175.29 173.80 1j9t n GLU 279 N 0.28 0.55 -4.05 2.91 0.28 -1.26 -0.39 120.64 118.97 1j9t n GLU 279 Ca 0.03 0.40 -0.21 0.00 -0.16 0.00 0.00 57.16 57.21 1j9t n GLU 279 Cb 0.44 -1.60 -0.17 0.00 1.43 0.00 0.00 31.44 31.55 1j9t n GLU 279 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1j9t s THR 280 N -2.48 0.53 0.43 3.84 2.01 -1.26 -4.18 115.64 114.52 1j9t s THR 280 Ca -0.31 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 61.70 1j9t s THR 280 Cb 0.09 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1j9t s THR 280 CO 0.48 0.24 0.40 -1.66 -0.69 0.00 0.00 174.62 173.40 1j9t s TRP 281 N 1.24 2.64 -0.09 4.92 -2.14 -0.30 -4.97 118.94 120.24 1j9t s TRP 281 Ca -0.06 -0.51 0.02 0.00 2.66 0.00 0.00 56.10 58.22 1j9t s TRP 281 Cb -0.14 -2.18 0.01 0.00 -3.10 0.00 0.00 33.47 28.07 1j9t s TRP 281 CO -0.02 -0.19 -0.14 0.12 -2.66 0.00 0.00 176.95 174.07 1j9t s PHE 282 N -2.48 1.74 -0.21 1.66 5.36 -1.26 -2.61 117.98 120.19 1j9t s PHE 282 Ca 0.48 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.73 1j9t s PHE 282 Cb -0.04 -1.27 0.04 0.00 -0.34 0.00 0.00 43.02 41.41 1j9t s PHE 282 CO 0.28 -0.38 -0.13 0.42 -1.46 0.00 0.00 175.22 173.95 1j9t s ILE 283 N 0.84 1.89 0.54 3.12 1.01 -0.53 -4.73 121.20 123.35 1j9t s ILE 283 Ca -0.10 -1.15 -0.19 0.00 0.00 0.00 0.00 60.65 59.21 1j9t s ILE 283 Cb -0.15 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 1j9t s ILE 283 CO 0.01 0.22 1.11 -2.16 0.00 0.00 0.00 174.94 174.13 1j9t s PRO 284 N 1.29 3.39 0.21 2.79 0.04 -1.26 -1.23 135.00 140.22 1j9t s PRO 284 Ca -0.01 1.55 -0.32 0.00 0.04 0.00 0.00 61.00 62.25 1j9t s PRO 284 Cb -0.16 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.23 1j9t s PRO 284 CO -0.09 -0.81 1.56 0.41 0.04 0.00 0.00 177.00 178.12 1j9t n GLY 285 N 0.02 1.15 0.04 0.56 0.00 -1.23 -2.25 105.19 103.48 1j9t n GLY 285 Ca 0.11 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1j9t n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9t n GLY 286 N 3.00 0.99 3.52 -0.02 0.00 0.89 -4.74 105.19 108.83 1j9t n GLY 286 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1j9t n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9t s ALA 287 N -2.00 -0.05 0.14 4.61 0.00 -0.95 -4.78 121.76 118.72 1j9t s ALA 287 Ca 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1j9t s ALA 287 Cb 0.00 1.10 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 1j9t s ALA 287 CO 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 175.76 174.76 1j9t s ALA 288 N -4.03 1.88 0.29 0.00 0.00 -1.26 -2.25 121.76 116.40 1j9t s ALA 288 Ca 0.24 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1j9t s ALA 288 Cb 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1j9t s ALA 288 CO 0.09 0.27 0.11 0.20 0.00 0.00 0.00 175.76 176.43 1j9t s GLY 289 N -2.37 1.95 -0.07 0.00 0.00 0.22 -3.22 107.32 103.83 1j9t s GLY 289 Ca 0.12 -1.80 -0.05 0.00 0.00 0.00 0.00 44.72 42.98 1j9t s GLY 289 CO 0.05 -1.64 0.17 0.00 0.00 0.00 0.00 173.10 171.69 1j9t s ALA 290 N -3.61 -0.40 -0.03 3.20 0.00 -1.00 -1.27 121.76 118.65 1j9t s ALA 290 Ca 0.36 0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1j9t s ALA 290 Cb 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 1j9t s ALA 290 CO 0.15 -0.10 -0.20 0.00 0.00 0.00 0.00 175.76 175.61 1j9t s ALA 291 N 0.39 1.68 -0.12 0.00 0.00 -0.54 -0.46 121.76 122.71 1j9t s ALA 291 Ca -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1j9t s ALA 291 Cb -0.04 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1j9t s ALA 291 CO -0.02 0.35 -0.10 0.12 0.00 0.00 0.00 175.76 176.11 1j9t s PHE 292 N -0.19 2.86 -0.05 0.00 2.19 0.53 0.14 117.98 123.46 1j9t s PHE 292 Ca 0.01 -0.46 -0.07 0.00 0.33 0.00 0.00 56.93 56.74 1j9t s PHE 292 Cb -0.10 -1.84 0.02 0.00 -1.31 0.00 0.00 43.02 39.78 1j9t s PHE 292 CO 0.01 -0.08 0.19 -0.47 1.83 0.00 0.00 175.22 176.70 1j9t s TYR 293 N 0.15 -0.16 -0.28 10.12 5.04 0.14 -1.88 117.35 130.48 1j9t s TYR 293 Ca -0.05 0.37 -0.05 0.00 -2.44 0.00 0.00 57.07 54.90 1j9t s TYR 293 Cb -0.15 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.23 1j9t s TYR 293 CO 0.04 -0.16 0.04 0.99 -1.34 0.00 0.00 175.55 175.12 1j9t s THR 294 N -0.30 3.63 0.22 4.34 2.01 -1.26 -0.47 115.64 123.81 1j9t s THR 294 Ca -0.04 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.83 1j9t s THR 294 Cb -0.03 -2.88 -0.09 0.00 0.01 0.00 0.00 72.50 69.51 1j9t s THR 294 CO 0.01 0.09 1.38 -0.36 -0.69 0.00 0.00 174.62 175.04 1j9t s PHE 295 N 1.44 3.14 -0.10 4.92 0.40 -0.96 -4.90 117.98 121.92 1j9t s PHE 295 Ca 0.01 1.12 0.03 0.00 -0.60 0.00 0.00 56.93 57.49 1j9t s PHE 295 Cb -0.17 -3.71 -0.04 0.00 0.51 0.00 0.00 43.02 39.60 1j9t s PHE 295 CO 0.00 -2.28 0.12 1.04 0.70 0.00 0.00 175.22 174.80 1j9t n GLN 296 N 2.52 3.64 -4.29 0.44 6.02 -1.26 -0.32 117.38 124.13 1j9t n GLN 296 Ca 0.07 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 1j9t n GLN 296 Cb 0.41 -0.82 -0.13 0.00 1.02 0.00 0.00 30.24 30.72 1j9t n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1j9t s GLN 297 N -1.67 0.81 0.61 -1.09 -1.52 -1.26 -4.59 119.66 110.94 1j9t s GLN 297 Ca 0.00 -0.68 -0.04 0.00 -1.95 0.00 0.00 55.36 52.69 1j9t s GLN 297 Cb 0.02 -0.77 0.03 0.00 -0.22 0.00 0.00 33.01 32.07 1j9t s GLN 297 CO 0.14 0.19 0.90 -1.25 -0.25 0.00 0.00 175.29 175.02 1j9t s PRO 298 N -1.07 2.62 0.00 2.91 0.04 -1.26 -4.77 135.00 133.46 1j9t s PRO 298 Ca -0.00 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1j9t s PRO 298 Cb -0.07 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1j9t s PRO 298 CO 0.01 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.61 1j9t n GLY 299 N -2.62 0.08 3.83 0.56 0.00 0.15 -4.94 105.19 102.26 1j9t n GLY 299 Ca 0.06 -2.29 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 1j9t n GLY 299 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j9t s ILE 300 N -0.11 4.95 0.07 -0.61 2.07 -1.26 -0.76 121.20 125.54 1j9t s ILE 300 Ca 0.00 0.89 0.07 0.00 -1.41 0.00 0.00 60.65 60.19 1j9t s ILE 300 Cb 0.00 -3.75 -0.03 0.00 0.13 0.00 0.00 42.46 38.81 1j9t s ILE 300 CO 0.00 0.51 -0.18 -0.31 -1.91 0.00 0.00 174.94 173.05 1j9t s TYR 301 N -1.16 1.56 -0.19 3.50 1.51 0.23 -4.96 117.35 117.85 1j9t s TYR 301 Ca 0.27 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.88 1j9t s TYR 301 Cb -0.17 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1j9t s TYR 301 CO 0.16 0.12 -0.00 0.00 -1.11 0.00 0.00 175.55 174.71 1j9t s ALA 302 N -1.04 3.06 -0.31 3.71 0.00 -1.21 -0.72 121.76 125.25 1j9t s ALA 302 Ca 0.04 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 1j9t s ALA 302 Cb -0.09 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.30 1j9t s ALA 302 CO 0.03 -0.03 0.11 -0.47 0.00 0.00 0.00 175.76 175.40 1j9t s TYR 303 N 0.79 3.17 0.17 0.00 5.04 0.11 -0.51 117.35 126.12 1j9t s TYR 303 Ca 0.00 -0.88 0.01 0.00 -2.44 0.00 0.00 57.07 53.76 1j9t s TYR 303 Cb -0.14 -2.30 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 1j9t s TYR 303 CO 0.02 -0.55 0.04 0.14 -1.34 0.00 0.00 175.55 173.85 1j9t s VAL 304 N 1.53 0.43 -0.27 3.14 -7.23 -0.64 -0.38 120.40 116.98 1j9t s VAL 304 Ca 0.03 -1.96 -0.26 0.00 -1.81 0.00 0.00 61.98 57.98 1j9t s VAL 304 Cb -0.17 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1j9t s VAL 304 CO 0.04 -0.39 0.89 0.21 -0.31 0.00 0.00 175.10 175.53 1j9t s ASN 305 N -3.15 6.85 0.00 4.85 3.84 -0.94 -1.14 114.94 125.25 1j9t s ASN 305 Ca 0.26 1.01 0.00 0.00 0.21 0.00 0.00 52.86 54.34 1j9t s ASN 305 Cb 0.07 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.31 1j9t s ASN 305 CO 0.05 -0.62 0.84 1.57 -2.79 0.00 0.00 177.10 176.15 1j9t n HIS 306 N 6.23 0.00 -3.46 0.43 -0.00 0.85 -4.04 115.22 115.24 1j9t n HIS 306 Ca 0.07 -0.37 -0.43 0.00 -0.00 0.00 0.00 57.72 56.99 1j9t n HIS 306 Cb 0.47 -0.21 -0.09 0.00 -0.00 0.00 0.00 29.99 30.17 1j9t n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1j9t s ASN 307 N 0.79 6.00 0.50 0.26 3.84 -1.26 -4.94 114.94 120.12 1j9t s ASN 307 Ca 0.00 -1.32 0.34 0.00 0.21 0.00 0.00 52.86 52.08 1j9t s ASN 307 Cb 0.00 -2.12 1.79 0.00 -0.55 0.00 0.00 41.25 40.36 1j9t s ASN 307 CO 0.00 -0.59 2.02 -0.07 -2.79 0.00 0.00 177.10 175.67 1j9t h LEU 308 N 8.64 0.00 -0.09 3.21 3.38 -1.99 -1.02 115.31 127.44 1j9t h LEU 308 Ca -0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.52 1j9t h LEU 308 Cb 1.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.86 1j9t h LEU 308 CO 0.83 0.00 -0.67 0.40 0.09 0.00 0.00 178.44 179.08 1j9t h ILE 309 N 0.00 1.34 -0.51 1.22 2.04 -1.92 0.25 117.51 119.93 1j9t h ILE 309 Ca 0.00 -1.96 -0.11 0.00 1.00 0.00 0.00 64.86 63.79 1j9t h ILE 309 Cb 0.04 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1j9t h ILE 309 CO 0.00 0.60 -0.12 -0.33 0.00 0.00 0.00 178.15 178.30 1j9t h GLU 310 N 0.25 0.96 0.13 2.37 5.08 -1.56 0.19 114.58 122.00 1j9t h GLU 310 Ca -0.06 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1j9t h GLU 310 Cb 1.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1j9t h GLU 310 CO 0.14 1.02 -0.06 0.00 -1.00 0.00 0.00 179.01 179.10 1j9t h ALA 311 N 1.00 -0.18 0.00 3.43 0.00 -1.20 -1.11 119.26 121.21 1j9t h ALA 311 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1j9t h ALA 311 Cb 0.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1j9t h ALA 311 CO 0.05 -0.40 -1.40 1.19 0.00 0.00 0.00 179.25 178.69 1j9t n PHE 312 N -4.99 0.00 -0.11 0.00 3.01 0.07 -2.32 117.46 113.12 1j9t n PHE 312 Ca -0.09 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.23 1j9t n PHE 312 Cb 0.23 -0.22 -0.11 0.00 -0.01 0.00 0.00 39.48 39.37 1j9t n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1j9t n GLU 313 N -1.82 0.67 0.03 -1.08 -0.58 0.52 -4.67 120.64 113.72 1j9t n GLU 313 Ca 0.00 0.11 0.11 0.00 -0.42 0.00 0.00 57.16 56.96 1j9t n GLU 313 Cb 0.41 -1.46 -0.04 0.00 -0.57 0.00 0.00 31.44 29.78 1j9t n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1j9t n LEU 314 N -3.07 0.52 0.00 -4.62 4.32 -0.38 -5.01 117.00 108.75 1j9t n LEU 314 Ca -0.39 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.64 1j9t n LEU 314 Cb 0.97 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 42.71 1j9t n LEU 314 CO 0.26 -0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 1j9t n GLY 315 N 1.30 1.05 2.49 -0.72 0.00 -0.56 -1.73 105.19 107.02 1j9t n GLY 315 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1j9t n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9t n ALA 316 N -0.31 6.77 -3.34 4.61 0.00 0.98 -4.22 120.51 124.99 1j9t n ALA 316 Ca 0.00 -3.78 -0.13 0.00 0.00 0.00 0.00 53.44 49.53 1j9t n ALA 316 Cb 0.00 -3.28 -0.14 0.00 0.00 0.00 0.00 19.45 16.03 1j9t n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j9t s ALA 317 N 1.71 -0.28 0.29 0.00 0.00 -1.24 -2.21 121.76 120.04 1j9t s ALA 317 Ca 0.59 0.49 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1j9t s ALA 317 Cb 0.16 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1j9t s ALA 317 CO -0.07 -0.10 0.09 0.00 0.00 0.00 0.00 175.76 175.68 1j9t s ALA 318 N 0.57 2.02 0.13 0.00 0.00 0.49 -4.57 121.76 120.40 1j9t s ALA 318 Ca -0.04 -1.88 0.06 0.00 0.00 0.00 0.00 51.96 50.10 1j9t s ALA 318 Cb -0.06 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1j9t s ALA 318 CO -0.03 -0.41 -0.14 -1.01 0.00 0.00 0.00 175.76 174.17 1j9t s HIS 319 N -3.56 1.43 -0.06 0.00 3.76 -0.34 0.05 115.29 116.57 1j9t s HIS 319 Ca 0.36 -0.55 0.05 0.00 -0.15 0.00 0.00 55.06 54.77 1j9t s HIS 319 Cb 0.08 -0.74 -0.00 0.00 1.11 0.00 0.00 32.58 33.02 1j9t s HIS 319 CO 0.15 0.16 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.93 1j9t s PHE 320 N -2.18 2.03 -0.25 1.40 0.08 0.10 -1.14 117.98 118.03 1j9t s PHE 320 Ca 0.10 -0.64 -0.03 0.00 0.12 0.00 0.00 56.93 56.47 1j9t s PHE 320 Cb -0.05 -1.36 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 1j9t s PHE 320 CO 0.03 -0.23 -0.02 0.21 -0.10 0.00 0.00 175.22 175.11 1j9t s LYS 321 N 0.07 3.04 -0.15 0.44 2.36 0.39 -0.60 119.74 125.29 1j9t s LYS 321 Ca -0.07 -0.85 0.02 0.00 -2.55 0.00 0.00 55.97 52.52 1j9t s LYS 321 Cb -0.13 -3.08 0.01 0.00 -1.05 0.00 0.00 37.83 33.57 1j9t s LYS 321 CO 0.04 -0.35 -0.19 0.08 1.55 0.00 0.00 175.35 176.47 1j9t s VAL 322 N 1.41 2.31 0.55 4.02 1.01 0.06 -2.46 120.40 127.30 1j9t s VAL 322 Ca 0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1j9t s VAL 322 Cb -0.16 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1j9t s VAL 322 CO -0.03 0.54 0.85 0.42 0.00 0.00 0.00 175.10 176.88 1j9t s THR 323 N 0.82 3.85 -2.92 3.92 -4.23 -0.65 0.33 115.64 116.76 1j9t s THR 323 Ca -0.06 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1j9t s THR 323 Cb -0.15 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.19 1j9t s THR 323 CO -0.01 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 1j9t n GLY 324 N -2.46 0.87 3.83 3.99 0.00 -1.26 -0.54 105.19 109.63 1j9t n GLY 324 Ca 0.04 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 1j9t n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9t s GLU 325 N -1.05 3.80 0.49 1.61 2.12 -1.26 -4.67 118.70 119.74 1j9t s GLU 325 Ca 0.00 0.16 -0.22 0.00 0.36 0.00 0.00 54.97 55.27 1j9t s GLU 325 Cb 0.00 -3.24 -0.07 0.00 0.26 0.00 0.00 34.13 31.08 1j9t s GLU 325 CO 0.00 0.65 1.19 -0.46 -0.54 0.00 0.00 175.26 176.10 1j9t s TRP 326 N -0.79 2.74 -0.48 5.30 -0.11 -1.26 -4.43 118.94 119.91 1j9t s TRP 326 Ca 0.19 1.51 -0.03 0.00 1.22 0.00 0.00 56.10 58.99 1j9t s TRP 326 Cb -0.14 -3.43 0.13 0.00 -1.50 0.00 0.00 33.47 28.52 1j9t s TRP 326 CO 0.08 -1.75 0.28 1.21 -4.62 0.00 0.00 176.95 172.15 1j9t s ASN 327 N -1.37 5.29 0.27 5.86 3.84 -1.26 -4.96 114.94 122.60 1j9t s ASN 327 Ca 0.67 -2.26 0.23 0.00 0.21 0.00 0.00 52.86 51.71 1j9t s ASN 327 Cb -0.30 -1.85 1.02 0.00 -0.55 0.00 0.00 41.25 39.57 1j9t s ASN 327 CO 0.35 -0.51 1.70 0.47 -2.79 0.00 0.00 177.10 176.33 1j9t n ASP 328 N 4.30 0.65 -0.04 -4.21 9.92 -1.26 -2.35 116.55 123.56 1j9t n ASP 328 Ca 0.00 0.69 -0.13 0.00 -0.53 0.00 0.00 54.79 54.82 1j9t n ASP 328 Cb 0.40 -0.81 -0.08 0.00 -0.64 0.00 0.00 41.12 39.99 1j9t n ASP 328 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1j9t h ASP 329 N 0.00 0.29 -0.50 -2.24 -0.00 -2.01 -3.25 116.42 108.71 1j9t h ASP 329 Ca 0.00 -0.52 -0.12 0.00 -0.00 0.00 0.00 57.03 56.40 1j9t h ASP 329 Cb 0.29 -0.08 -0.02 0.00 -0.00 0.00 0.00 39.33 39.52 1j9t h ASP 329 CO 0.00 0.75 -0.13 -0.07 -0.00 0.00 0.00 179.24 179.79 1j9t h LEU 330 N -0.16 0.99 -7.03 2.28 3.38 -1.91 -3.45 115.31 109.41 1j9t h LEU 330 Ca 0.01 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1j9t h LEU 330 Cb 0.68 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 40.94 1j9t h LEU 330 CO 0.03 1.12 0.08 -0.32 0.09 0.00 0.00 178.44 179.44 1j9t s MET 331 N -4.81 0.79 -0.20 1.13 0.00 -0.99 -5.14 119.30 110.08 1j9t s MET 331 Ca -0.11 0.97 -0.25 0.00 0.00 0.00 0.00 55.69 56.31 1j9t s MET 331 Cb 0.13 0.36 0.06 0.00 0.00 0.00 0.00 34.83 35.39 1j9t s MET 331 CO 0.86 -0.10 0.66 -0.08 0.00 0.00 0.00 175.02 176.36 1j9t s THR 332 N 0.49 0.00 -0.73 10.11 -1.32 -1.26 -3.99 115.64 118.95 1j9t s THR 332 Ca -0.01 -0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.21 1j9t s THR 332 Cb -0.05 -0.93 0.05 0.00 -1.51 0.00 0.00 72.50 70.06 1j9t s THR 332 CO -0.01 -0.01 1.15 -0.55 -2.21 0.00 0.00 174.62 172.99 1j9t s SER 333 N -0.05 6.20 0.30 8.08 0.15 -1.26 -4.86 113.70 122.25 1j9t s SER 333 Ca -0.03 -0.78 0.04 0.00 0.70 0.00 0.00 55.95 55.88 1j9t s SER 333 Cb -0.04 -2.49 0.48 0.00 -1.71 0.00 0.00 66.02 62.26 1j9t s SER 333 CO 0.03 -1.63 1.75 0.58 1.20 0.00 0.00 173.24 175.17 1j9t h VAL 334 N 6.04 1.26 -2.44 4.45 2.07 -2.02 -3.40 116.25 122.21 1j9t h VAL 334 Ca -0.25 -1.22 -0.37 0.00 0.82 0.00 0.00 66.70 65.68 1j9t h VAL 334 Cb 1.06 1.36 -0.36 0.00 -1.52 0.00 0.00 31.29 31.83 1j9t h VAL 334 CO 1.24 0.38 -0.67 -0.22 0.02 0.00 0.00 177.57 178.33 1j9t s LEU 335 N -8.63 -0.02 0.65 2.57 2.96 -1.26 -5.15 118.68 109.81 1j9t s LEU 335 Ca -0.06 -0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 53.00 1j9t s LEU 335 Cb 0.14 0.26 -0.01 0.00 0.50 0.00 0.00 46.19 47.09 1j9t s LEU 335 CO 0.78 -0.38 1.26 0.00 -1.32 0.00 0.00 176.35 176.69 1j9t s ALA 336 N 2.29 2.35 -0.08 5.97 0.00 -1.26 -4.83 121.76 126.20 1j9t s ALA 336 Ca 0.08 1.10 -0.41 0.00 0.00 0.00 0.00 51.96 52.73 1j9t s ALA 336 Cb -0.15 -3.51 -0.19 0.00 0.00 0.00 0.00 23.12 19.26 1j9t s ALA 336 CO -0.26 -1.57 1.21 -2.30 0.00 0.00 0.00 175.76 172.85 1j9t n PRO 337 N -2.02 0.18 -3.53 0.00 -0.02 -1.26 -4.94 135.00 123.42 1j9t n PRO 337 Ca 0.15 0.07 -0.17 0.00 -2.02 0.00 0.00 63.50 61.52 1j9t n PRO 337 Cb 0.49 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.32 1j9t n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1j9t s SER 338 N 0.64 -0.63 0.00 2.55 1.04 -1.26 -5.29 113.70 110.76 1j9t s SER 338 Ca 0.93 0.68 0.00 0.00 0.48 0.00 0.00 55.95 58.04 1j9t s SER 338 Cb -1.26 0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1j9t s SER 338 CO 0.60 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.84