#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrq s MET 7 N 0.00 2.14 0.06 -0.41 -1.94 -1.26 -4.11 119.30 113.77 1jrq s MET 7 Ca 0.00 -2.35 0.03 0.00 -1.71 0.00 0.00 55.69 51.66 1jrq s MET 7 Cb 0.00 -1.40 -0.03 0.00 2.01 0.00 0.00 34.83 35.42 1jrq s MET 7 CO 0.00 -0.36 -0.10 0.54 -0.01 0.00 0.00 175.02 175.09 1jrq s VAL 8 N -2.92 0.76 0.01 -6.03 0.11 0.82 -4.91 120.40 108.25 1jrq s VAL 8 Ca 0.10 -1.21 -0.31 0.00 -2.93 0.00 0.00 61.98 57.63 1jrq s VAL 8 Cb 0.02 -0.83 -0.10 0.00 -1.53 0.00 0.00 36.38 33.94 1jrq s VAL 8 CO 0.05 -0.35 1.93 -0.81 -3.33 0.00 0.00 175.10 172.60 1jrq n PRO 9 N 1.32 2.67 0.17 1.54 -0.04 -1.26 -0.82 135.00 138.58 1jrq n PRO 9 Ca -0.22 0.98 -0.14 0.00 -0.04 0.00 0.00 63.50 64.08 1jrq n PRO 9 Cb 0.55 -2.90 -0.07 0.00 -0.04 0.00 0.00 33.50 31.04 1jrq n PRO 9 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1jrq h MET 10 N 9.95 -0.60 0.35 0.54 4.05 -1.53 -2.65 114.93 125.05 1jrq h MET 10 Ca -0.49 0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1jrq h MET 10 Cb 1.25 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 32.15 1jrq h MET 10 CO 0.94 -0.40 -0.46 -0.44 0.23 0.00 0.00 176.91 176.79 1jrq h ASP 11 N -0.62 -1.28 0.11 1.39 5.19 -1.92 0.69 116.42 119.98 1jrq h ASP 11 Ca 0.00 0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1jrq h ASP 11 Cb 0.60 0.44 -0.05 0.00 0.18 0.00 0.00 39.33 40.51 1jrq h ASP 11 CO -0.12 -0.58 -0.45 0.50 -3.12 0.00 0.00 179.24 175.47 1jrq h LYS 12 N -0.85 -0.65 -0.48 3.56 3.64 -1.96 0.66 116.57 120.49 1jrq h LYS 12 Ca -0.03 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1jrq h LYS 12 Cb 0.78 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 1jrq h LYS 12 CO -0.12 -0.43 0.15 1.15 -2.27 0.00 0.00 179.45 177.92 1jrq h THR 13 N -0.67 0.81 -0.65 1.00 2.02 -1.41 0.36 112.91 114.37 1jrq h THR 13 Ca 0.02 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1jrq h THR 13 Cb 0.70 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1jrq h THR 13 CO -0.26 0.06 0.33 -0.07 0.37 0.00 0.00 175.52 175.94 1jrq h LEU 14 N 0.31 0.84 -0.06 2.58 3.38 -0.49 -1.32 115.31 120.54 1jrq h LEU 14 Ca 0.23 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jrq h LEU 14 Cb 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jrq h LEU 14 CO -0.26 0.72 0.03 0.11 0.09 0.00 0.00 178.44 179.13 1jrq h LYS 15 N 0.89 0.08 -0.56 1.13 6.56 -0.26 -1.54 116.57 122.87 1jrq h LYS 15 Ca 0.23 -0.01 0.11 0.00 -1.06 0.00 0.00 60.65 59.92 1jrq h LYS 15 Cb 0.09 -0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 31.64 1jrq h LYS 15 CO -0.03 0.11 -0.00 0.93 -2.06 0.00 0.00 179.45 178.40 1jrq h GLU 16 N 0.03 0.11 0.00 3.15 4.39 -0.73 0.38 114.58 121.91 1jrq h GLU 16 Ca 0.02 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1jrq h GLU 16 Cb 0.05 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1jrq h GLU 16 CO -0.00 0.07 -0.02 0.35 -1.16 0.00 0.00 179.01 178.26 1jrq h PHE 17 N 0.12 0.00 0.00 4.33 3.57 -0.75 -3.46 116.94 120.74 1jrq h PHE 17 Ca 0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1jrq h PHE 17 Cb 0.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1jrq h PHE 17 CO -0.34 0.02 0.00 0.41 -2.23 0.00 0.00 178.31 176.16 1jrq n GLY 18 N -1.06 0.93 3.88 2.40 0.00 0.13 -5.08 105.19 106.39 1jrq n GLY 18 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1jrq n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrq s ALA 19 N -2.01 3.58 0.04 4.61 0.00 -0.74 -4.88 121.76 122.36 1jrq s ALA 19 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 51.96 51.40 1jrq s ALA 19 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.66 1jrq s ALA 19 CO 0.00 0.47 0.70 0.34 0.00 0.00 0.00 175.76 177.27 1jrq s ASP 20 N -2.49 7.13 -0.17 0.00 2.15 0.72 -4.29 116.67 119.72 1jrq s ASP 20 Ca 0.47 1.35 0.01 0.00 0.43 0.00 0.00 52.55 54.81 1jrq s ASP 20 Cb -0.11 -2.43 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 1jrq s ASP 20 CO 0.23 0.07 -0.19 -0.69 -0.17 0.00 0.00 175.17 174.41 1jrq s VAL 21 N -0.21 2.20 -0.08 1.11 1.01 -1.26 -1.52 120.40 121.65 1jrq s VAL 21 Ca 0.35 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1jrq s VAL 21 Cb -0.20 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1jrq s VAL 21 CO 0.21 0.53 -0.16 -1.10 0.00 0.00 0.00 175.10 174.58 1jrq s GLN 22 N 1.08 2.20 -0.15 2.72 -1.52 -0.18 -4.99 119.66 118.82 1jrq s GLN 22 Ca -0.00 -0.58 -0.03 0.00 -1.95 0.00 0.00 55.36 52.80 1jrq s GLN 22 Cb -0.14 -1.76 -0.02 0.00 -0.22 0.00 0.00 33.01 30.87 1jrq s GLN 22 CO -0.07 0.06 -0.06 -0.46 -0.25 0.00 0.00 175.29 174.51 1jrq s TRP 23 N 0.61 2.96 -0.37 0.91 -0.11 -1.26 -0.15 118.94 121.53 1jrq s TRP 23 Ca -0.15 -0.43 -0.03 0.00 1.22 0.00 0.00 56.10 56.71 1jrq s TRP 23 Cb -0.16 -1.94 0.08 0.00 -1.50 0.00 0.00 33.47 29.95 1jrq s TRP 23 CO 0.05 -0.12 0.13 0.34 -4.62 0.00 0.00 176.95 172.73 1jrq s ASP 24 N 0.44 5.18 0.30 5.86 -1.08 0.52 -4.97 116.67 122.92 1jrq s ASP 24 Ca -0.05 -1.66 0.01 0.00 -0.52 0.00 0.00 52.55 50.32 1jrq s ASP 24 Cb -0.15 -1.81 0.48 0.00 -1.46 0.00 0.00 42.92 39.98 1jrq s ASP 24 CO 0.03 -0.43 1.86 -0.78 0.52 0.00 0.00 175.17 176.37 1jrq h ASP 25 N 8.08 0.70 -0.11 -0.34 3.58 -1.96 0.68 116.42 127.04 1jrq h ASP 25 Ca -0.17 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.11 1jrq h ASP 25 Cb 1.06 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 1jrq h ASP 25 CO 0.64 0.68 -0.16 0.22 -2.88 0.00 0.00 179.24 177.74 1jrq h TYR 26 N 0.74 0.37 -0.00 0.28 3.20 -1.97 -3.16 116.97 116.43 1jrq h TYR 26 Ca 0.17 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1jrq h TYR 26 Cb 0.25 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.44 1jrq h TYR 26 CO 0.01 0.76 -0.17 0.00 -1.64 0.00 0.00 178.16 177.12 1jrq n ALA 27 N -2.43 2.76 -3.62 1.82 0.00 -1.14 -4.92 120.51 112.98 1jrq n ALA 27 Ca -0.07 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 1jrq n ALA 27 Cb 0.38 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.54 1jrq n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jrq n GLN 28 N -1.45 -6.30 -4.20 0.00 1.13 0.23 -4.98 117.38 101.81 1jrq n GLN 28 Ca 0.07 0.74 -0.16 0.00 -1.94 0.00 0.00 57.00 55.71 1jrq n GLN 28 Cb 0.33 -5.62 -0.14 0.00 0.11 0.00 0.00 30.24 24.91 1jrq n GLN 28 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1jrq s LEU 29 N -6.82 2.01 -0.10 1.08 2.96 -0.58 -4.25 118.68 112.98 1jrq s LEU 29 Ca 0.25 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1jrq s LEU 29 Cb -0.12 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.23 1jrq s LEU 29 CO 0.77 0.07 0.08 -0.36 -1.32 0.00 0.00 176.35 175.59 1jrq s PHE 30 N -0.15 3.40 -0.20 5.38 0.08 -0.29 -0.36 117.98 125.85 1jrq s PHE 30 Ca 0.02 0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.47 1jrq s PHE 30 Cb -0.02 -1.87 0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1jrq s PHE 30 CO -0.00 0.62 -0.14 0.99 -0.10 0.00 0.00 175.22 176.59 1jrq s THR 31 N -0.97 1.88 -0.10 0.64 2.01 0.79 -1.51 115.64 118.39 1jrq s THR 31 Ca 0.14 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1jrq s THR 31 Cb -0.12 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1jrq s THR 31 CO 0.03 0.28 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.33 1jrq s LEU 32 N 1.31 2.58 -0.01 4.42 1.43 0.17 -1.01 118.68 127.58 1jrq s LEU 32 Ca -0.00 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1jrq s LEU 32 Cb -0.16 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1jrq s LEU 32 CO -0.09 0.21 -0.14 -0.63 0.23 0.00 0.00 176.35 175.92 1jrq s ILE 33 N 0.08 1.15 -0.30 -0.59 1.01 -0.57 -0.55 121.20 121.43 1jrq s ILE 33 Ca -0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 1jrq s ILE 33 Cb -0.15 -0.96 0.19 0.00 0.01 0.00 0.00 42.46 41.55 1jrq s ILE 33 CO 0.05 0.33 0.68 -0.75 0.00 0.00 0.00 174.94 175.24 1jrq s LYS 34 N -0.28 0.50 6.53 2.79 2.20 -0.65 -0.20 119.74 130.61 1jrq s LYS 34 Ca 0.04 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1jrq s LYS 34 Cb -0.06 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1jrq s LYS 34 CO -0.00 -0.66 0.00 -0.25 -0.36 0.00 0.00 175.35 174.07 1jrq n ASP 35 N 5.42 0.00 0.00 1.43 8.00 -1.26 -1.38 116.55 128.76 1jrq n ASP 35 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.61 1jrq n ASP 35 Cb 0.52 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 42.28 1jrq n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jrq n GLY 36 N 0.00 -0.72 3.63 0.44 0.00 -1.26 -4.78 105.19 102.50 1jrq n GLY 36 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1jrq n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrq s ALA 37 N -2.00 3.57 -0.29 4.61 0.00 -0.48 -4.53 121.76 122.65 1jrq s ALA 37 Ca 0.33 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1jrq s ALA 37 Cb 0.15 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.85 1jrq s ALA 37 CO 0.25 -0.43 -0.04 -0.47 0.00 0.00 0.00 175.76 175.07 1jrq s TYR 38 N 1.54 3.29 -0.00 0.00 6.14 -1.26 -1.64 117.35 125.41 1jrq s TYR 38 Ca 0.10 -2.47 0.06 0.00 0.64 0.00 0.00 57.07 55.41 1jrq s TYR 38 Cb -0.15 -2.21 -0.03 0.00 0.42 0.00 0.00 41.96 39.99 1jrq s TYR 38 CO 0.08 -0.89 -0.19 0.08 0.64 0.00 0.00 175.55 175.27 1jrq s VAL 39 N 1.08 2.66 -0.08 3.14 1.01 0.29 -0.97 120.40 127.54 1jrq s VAL 39 Ca -0.01 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.96 1jrq s VAL 39 Cb -0.19 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1jrq s VAL 39 CO -0.07 0.48 -0.18 -0.54 0.00 0.00 0.00 175.10 174.79 1jrq s LYS 40 N -1.01 2.32 -0.12 2.72 1.02 -0.28 0.46 119.74 124.84 1jrq s LYS 40 Ca 0.12 -0.63 -0.06 0.00 0.02 0.00 0.00 55.97 55.42 1jrq s LYS 40 Cb -0.10 -1.82 0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1jrq s LYS 40 CO 0.02 0.11 0.28 0.54 -0.92 0.00 0.00 175.35 175.38 1jrq s VAL 41 N 0.49 -0.04 -0.12 3.17 0.11 -0.57 -0.56 120.40 122.89 1jrq s VAL 41 Ca -0.16 0.13 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 1jrq s VAL 41 Cb -0.17 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1jrq s VAL 41 CO 0.06 0.06 0.09 -0.54 -3.33 0.00 0.00 175.10 171.43 1jrq s LYS 42 N 1.29 3.43 0.37 1.54 1.02 -1.26 -1.14 119.74 124.98 1jrq s LYS 42 Ca -0.09 -0.25 -0.27 0.00 0.02 0.00 0.00 55.97 55.38 1jrq s LYS 42 Cb -0.10 -3.09 -0.12 0.00 -0.52 0.00 0.00 37.83 34.01 1jrq s LYS 42 CO -0.09 0.65 1.16 -2.30 -0.92 0.00 0.00 175.35 173.84 1jrq n PRO 43 N 2.36 1.73 0.00 -1.68 -0.02 -1.26 -1.40 135.00 134.73 1jrq n PRO 43 Ca -0.19 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1jrq n PRO 43 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1jrq n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jrq n GLY 44 N 0.97 2.18 3.77 -1.23 0.00 0.39 -4.92 105.19 106.36 1jrq n GLY 44 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1jrq n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrq s ALA 45 N -2.26 3.17 -2.18 4.61 0.00 -0.49 -4.89 121.76 119.72 1jrq s ALA 45 Ca 0.00 0.88 0.24 0.00 0.00 0.00 0.00 51.96 53.08 1jrq s ALA 45 Cb 0.00 -3.34 1.18 0.00 0.00 0.00 0.00 23.12 20.96 1jrq s ALA 45 CO 0.00 -0.38 1.79 1.04 0.00 0.00 0.00 175.76 178.21 1jrq n GLN 46 N 0.19 1.34 -3.82 0.00 1.13 -1.26 -4.36 117.38 110.59 1jrq n GLN 46 Ca 0.04 -0.50 -0.11 0.00 -1.94 0.00 0.00 57.00 54.49 1jrq n GLN 46 Cb 0.47 -1.41 -0.08 0.00 0.11 0.00 0.00 30.24 29.34 1jrq n GLN 46 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1jrq s THR 47 N -1.94 0.10 0.30 5.09 -1.32 -1.26 -1.08 115.64 115.53 1jrq s THR 47 Ca 0.36 -0.81 0.05 0.00 -1.21 0.00 0.00 61.69 60.07 1jrq s THR 47 Cb 0.18 -0.91 -0.06 0.00 -1.51 0.00 0.00 72.50 70.20 1jrq s THR 47 CO 0.29 -0.45 0.01 0.00 -2.21 0.00 0.00 174.62 172.26 1jrq s ALA 48 N -2.52 2.28 -0.14 11.08 0.00 0.50 -4.66 121.76 128.31 1jrq s ALA 48 Ca -0.05 -1.97 0.01 0.00 0.00 0.00 0.00 51.96 49.94 1jrq s ALA 48 Cb -0.01 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1jrq s ALA 48 CO -0.03 -0.22 -0.16 0.42 0.00 0.00 0.00 175.76 175.76 1jrq s ILE 49 N -3.21 2.68 -0.22 0.00 -1.09 0.28 -0.30 121.20 119.34 1jrq s ILE 49 Ca 0.33 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 1jrq s ILE 49 Cb 0.07 -2.11 0.05 0.00 -1.58 0.00 0.00 42.46 38.88 1jrq s ILE 49 CO 0.13 0.52 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.60 1jrq s VAL 50 N 0.61 1.58 -1.43 2.92 1.01 0.20 -1.13 120.40 124.17 1jrq s VAL 50 Ca -0.09 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 1jrq s VAL 50 Cb -0.16 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.51 1jrq s VAL 50 CO 0.03 0.04 0.78 0.59 0.00 0.00 0.00 175.10 176.54 1jrq n ASN 51 N 4.68 -2.58 0.00 3.32 5.03 -0.14 -1.82 115.26 123.74 1jrq n ASN 51 Ca -0.13 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.48 1jrq n ASN 51 Cb 0.45 -3.78 0.00 0.00 -1.02 0.00 0.00 39.78 35.43 1jrq n ASN 51 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jrq n GLY 52 N -1.67 1.86 3.60 7.41 0.00 -1.24 -4.65 105.19 110.51 1jrq n GLY 52 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1jrq n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jrq s GLN 53 N -0.01 2.65 0.27 1.61 -1.52 -0.76 -5.08 119.66 116.83 1jrq s GLN 53 Ca 0.00 -0.64 -0.29 0.00 -1.95 0.00 0.00 55.36 52.47 1jrq s GLN 53 Cb 0.00 -2.55 -0.09 0.00 -0.22 0.00 0.00 33.01 30.14 1jrq s GLN 53 CO 0.00 0.63 1.16 -1.25 -0.25 0.00 0.00 175.29 175.58 1jrq s PRO 54 N -1.19 4.56 -0.09 2.91 0.04 -1.26 -0.63 135.00 139.33 1jrq s PRO 54 Ca 0.15 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 1jrq s PRO 54 Cb -0.11 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.28 1jrq s PRO 54 CO 0.05 0.08 -0.04 -1.17 0.04 0.00 0.00 177.00 175.96 1jrq s LEU 55 N -1.32 0.93 0.35 -3.56 2.96 0.58 -4.91 118.68 113.71 1jrq s LEU 55 Ca 0.47 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.91 1jrq s LEU 55 Cb -0.34 -0.66 -0.09 0.00 0.50 0.00 0.00 46.19 45.60 1jrq s LEU 55 CO 0.43 -0.15 1.09 0.00 -1.32 0.00 0.00 176.35 176.39 1jrq s ALA 56 N 1.81 3.23 -0.06 5.97 0.00 -1.26 -0.37 121.76 131.08 1jrq s ALA 56 Ca 0.05 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1jrq s ALA 56 Cb -0.12 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1jrq s ALA 56 CO -0.07 -0.23 -0.15 -0.51 0.00 0.00 0.00 175.76 174.80 1jrq s LEU 57 N -2.11 1.81 -0.06 0.00 1.43 -0.24 -4.90 118.68 114.62 1jrq s LEU 57 Ca 0.52 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 53.02 1jrq s LEU 57 Cb -0.27 -0.93 -0.22 0.00 0.03 0.00 0.00 46.19 44.79 1jrq s LEU 57 CO 0.35 0.10 1.07 1.56 0.23 0.00 0.00 176.35 179.66 1jrq h GLN 58 N 6.61 0.09 -4.61 1.70 4.20 -1.96 -3.42 115.11 117.71 1jrq h GLN 58 Ca -0.30 -0.08 -0.70 0.00 0.06 0.00 0.00 58.65 57.63 1jrq h GLN 58 Cb 1.19 0.02 -0.23 0.00 0.30 0.00 0.00 27.48 28.76 1jrq h GLN 58 CO 0.48 0.78 -0.50 0.08 -0.67 0.00 0.00 178.83 179.00 1jrq s VAL 59 N -3.38 4.83 0.86 -0.54 1.01 -1.26 -5.03 120.40 116.88 1jrq s VAL 59 Ca -0.16 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1jrq s VAL 59 Cb 0.01 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.86 1jrq s VAL 59 CO 0.71 -0.18 1.09 -2.84 0.00 0.00 0.00 175.10 173.88 1jrq s PRO 60 N 1.61 1.57 0.07 2.72 0.02 -1.26 -4.76 135.00 134.97 1jrq s PRO 60 Ca 0.04 0.79 -0.31 0.00 0.02 0.00 0.00 61.00 61.54 1jrq s PRO 60 Cb -0.19 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 1jrq s PRO 60 CO 0.08 -2.01 1.33 0.08 -0.33 0.00 0.00 177.00 176.14 1jrq s VAL 61 N -3.00 3.65 -0.20 3.83 1.01 -1.26 -4.79 120.40 119.64 1jrq s VAL 61 Ca 0.62 1.15 -0.08 0.00 0.00 0.00 0.00 61.98 63.67 1jrq s VAL 61 Cb -0.17 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1jrq s VAL 61 CO 0.56 0.06 0.09 -0.69 0.00 0.00 0.00 175.10 175.12 1jrq s VAL 62 N 1.43 4.93 -0.26 2.92 1.01 0.95 -0.46 120.40 130.93 1jrq s VAL 62 Ca 0.62 0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 1jrq s VAL 62 Cb -0.33 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1jrq s VAL 62 CO 0.29 0.43 0.09 -0.32 0.00 0.00 0.00 175.10 175.59 1jrq s MET 63 N 0.57 3.61 0.00 2.72 1.75 -1.26 0.12 119.30 126.80 1jrq s MET 63 Ca 0.05 -0.52 0.00 0.00 -1.25 0.00 0.00 55.69 53.97 1jrq s MET 63 Cb -0.13 -3.39 0.00 0.00 2.84 0.00 0.00 34.83 34.16 1jrq s MET 63 CO 0.01 -0.23 0.00 1.63 -0.65 0.00 0.00 175.02 175.78 1jrq n LYS 64 N 4.94 0.00 -1.69 4.11 4.76 0.76 -4.86 118.16 126.17 1jrq n LYS 64 Ca -0.16 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.93 1jrq n LYS 64 Cb 0.51 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.67 1jrq n LYS 64 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1jrq n ASP 65 N 0.00 7.74 0.00 4.39 8.00 -1.26 -4.40 116.55 131.02 1jrq n ASP 65 Ca 0.00 -2.98 0.00 0.00 0.71 0.00 0.00 54.79 52.52 1jrq n ASP 65 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 1jrq n ASP 65 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1jrq n ASN 66 N 2.03 -1.74 -4.45 -2.24 3.02 -1.26 -5.02 115.26 105.60 1jrq n ASN 66 Ca 0.62 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.84 1jrq n ASN 66 Cb 0.34 -0.29 -0.13 0.00 -0.61 0.00 0.00 39.78 39.09 1jrq n ASN 66 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1jrq s LYS 67 N -0.14 3.39 0.08 3.52 2.47 -1.26 -5.11 119.74 122.69 1jrq s LYS 67 Ca 0.00 -0.60 -0.10 0.00 -1.56 0.00 0.00 55.97 53.71 1jrq s LYS 67 Cb 0.00 -2.73 -0.06 0.00 -1.46 0.00 0.00 37.83 33.58 1jrq s LYS 67 CO 0.00 0.29 0.40 0.00 0.16 0.00 0.00 175.35 176.21 1jrq s ALA 68 N 0.18 3.72 -0.01 3.13 0.00 -1.26 -0.17 121.76 127.35 1jrq s ALA 68 Ca -0.05 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1jrq s ALA 68 Cb -0.14 -2.27 -0.00 0.00 0.00 0.00 0.00 23.12 20.70 1jrq s ALA 68 CO 0.04 0.57 -0.05 -1.58 0.00 0.00 0.00 175.76 174.73 1jrq s TRP 69 N -1.41 0.49 0.18 0.00 0.52 0.32 -1.34 118.94 117.69 1jrq s TRP 69 Ca 0.34 -0.09 0.07 0.00 0.02 0.00 0.00 56.10 56.43 1jrq s TRP 69 Cb -0.14 -0.33 -0.05 0.00 -1.15 0.00 0.00 33.47 31.81 1jrq s TRP 69 CO 0.18 -0.02 -0.13 0.14 0.02 0.00 0.00 176.95 177.14 1jrq s VAL 70 N -0.06 1.55 0.82 4.03 -7.23 -0.00 -0.03 120.40 119.48 1jrq s VAL 70 Ca 0.01 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 1jrq s VAL 70 Cb -0.03 -1.96 0.08 0.00 0.56 0.00 0.00 36.38 35.04 1jrq s VAL 70 CO -0.00 -0.63 1.09 -0.94 -0.31 0.00 0.00 175.10 174.31 1jrq s SER 71 N -3.22 4.16 0.00 4.85 1.04 -1.26 -0.13 113.70 119.14 1jrq s SER 71 Ca 0.20 1.54 0.07 0.00 0.48 0.00 0.00 55.95 58.23 1jrq s SER 71 Cb -0.00 -2.25 0.29 0.00 0.10 0.00 0.00 66.02 64.15 1jrq s SER 71 CO 0.05 -2.21 1.21 -0.90 0.98 0.00 0.00 173.24 172.37 1jrq n ASP 72 N -3.61 0.00 -0.36 7.02 5.75 -1.26 -1.83 116.55 122.26 1jrq n ASP 72 Ca 0.08 0.50 0.06 0.00 -0.01 0.00 0.00 54.79 55.41 1jrq n ASP 72 Cb 0.55 -0.50 0.02 0.00 -1.03 0.00 0.00 41.12 40.16 1jrq n ASP 72 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1jrq n THR 73 N -1.50 0.00 -0.22 2.12 -2.24 -1.26 -4.68 114.28 106.50 1jrq n THR 73 Ca 0.02 -0.43 0.02 0.00 -2.27 0.00 0.00 64.05 61.39 1jrq n THR 73 Cb 0.08 1.19 0.14 0.00 -2.10 0.00 0.00 70.33 69.63 1jrq n THR 73 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1jrq h PHE 74 N 1.76 0.35 -0.07 4.78 3.04 -1.72 0.17 116.94 125.26 1jrq h PHE 74 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1jrq h PHE 74 Cb 0.45 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 1jrq h PHE 74 CO 0.00 0.03 0.04 0.82 -2.02 0.00 0.00 178.31 177.18 1jrq h ILE 75 N 0.36 1.04 -0.29 1.41 2.04 -1.83 -1.06 117.51 119.17 1jrq h ILE 75 Ca 0.35 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 66.05 1jrq h ILE 75 Cb 0.51 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1jrq h ILE 75 CO -0.39 0.03 -0.08 0.78 0.00 0.00 0.00 178.15 178.50 1jrq h ASN 76 N 0.07 0.57 -0.70 1.72 2.35 -1.79 -0.42 115.58 117.38 1jrq h ASN 76 Ca 0.02 -0.37 0.04 0.00 -0.55 0.00 0.00 56.30 55.44 1jrq h ASN 76 Cb 0.02 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 1jrq h ASN 76 CO -0.00 0.81 0.43 0.44 -1.65 0.00 0.00 177.43 177.45 1jrq h ASP 77 N 0.32 0.70 0.00 5.81 3.32 -0.58 -1.89 116.42 124.10 1jrq h ASP 77 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1jrq h ASP 77 Cb 0.56 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1jrq h ASP 77 CO 0.03 0.48 -0.08 0.58 -1.72 0.00 0.00 179.24 178.53 1jrq h VAL 78 N 0.84 0.00 0.00 -1.35 2.07 -1.17 -3.20 116.25 113.44 1jrq h VAL 78 Ca 0.29 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1jrq h VAL 78 Cb 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1jrq h VAL 78 CO -0.12 0.00 0.00 0.49 0.02 0.00 0.00 177.57 177.96 1jrq n PHE 79 N -4.27 0.34 -1.31 1.57 3.72 -0.17 -2.36 117.46 114.98 1jrq n PHE 79 Ca -0.01 0.15 0.08 0.00 -0.05 0.00 0.00 57.45 57.61 1jrq n PHE 79 Cb 0.04 -0.74 0.12 0.00 -0.94 0.00 0.00 39.48 37.96 1jrq n PHE 79 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1jrq n GLN 80 N -1.82 1.05 -0.23 -1.08 3.00 -0.71 -4.85 117.38 112.73 1jrq n GLN 80 Ca 0.02 -2.34 -0.06 0.00 -0.01 0.00 0.00 57.00 54.60 1jrq n GLN 80 Cb 0.13 -1.30 0.04 0.00 0.00 0.00 0.00 30.24 29.11 1jrq n GLN 80 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1jrq h SER 81 N 0.10 0.84 0.00 1.08 4.64 -1.46 -3.48 113.55 115.27 1jrq h SER 81 Ca -0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1jrq h SER 81 Cb 1.09 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1jrq h SER 81 CO 0.00 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1jrq n GLY 82 N -0.99 2.23 0.19 -0.77 0.00 -1.26 -4.92 105.19 99.67 1jrq n GLY 82 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1jrq n GLY 82 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jrq h LEU 83 N 0.00 0.00 -8.34 0.99 3.38 -1.91 -3.36 115.31 106.08 1jrq h LEU 83 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1jrq h LEU 83 Cb 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.57 1jrq h LEU 83 CO 0.00 0.00 0.09 -0.62 0.09 0.00 0.00 178.44 178.00 1jrq s ASP 84 N -5.01 6.22 0.00 -0.43 2.15 -1.26 -4.75 116.67 113.58 1jrq s ASP 84 Ca 0.04 -1.01 0.22 0.00 0.43 0.00 0.00 52.55 52.23 1jrq s ASP 84 Cb 0.09 -2.30 0.76 0.00 -0.30 0.00 0.00 42.92 41.17 1jrq s ASP 84 CO 0.50 -0.97 1.56 0.00 -0.17 0.00 0.00 175.17 176.09 1jrq n GLN 85 N 6.29 1.79 -0.21 4.34 6.02 -1.26 -4.51 117.38 129.84 1jrq n GLN 85 Ca -0.07 -1.18 -0.02 0.00 -0.01 0.00 0.00 57.00 55.73 1jrq n GLN 85 Cb 0.45 -1.42 0.05 0.00 1.02 0.00 0.00 30.24 30.34 1jrq n GLN 85 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1jrq h THR 86 N 2.44 0.31 -3.25 5.09 2.02 -1.89 -3.40 112.91 114.23 1jrq h THR 86 Ca 0.00 0.00 -0.64 0.00 0.77 0.00 0.00 66.41 66.54 1jrq h THR 86 Cb 0.53 0.31 -0.16 0.00 -1.74 0.00 0.00 68.15 67.09 1jrq h THR 86 CO 0.00 0.00 -0.59 -0.36 0.37 0.00 0.00 175.52 174.94 1jrq s PHE 87 N -6.18 3.21 0.08 3.16 0.08 -1.26 0.61 117.98 117.67 1jrq s PHE 87 Ca -0.14 0.06 0.08 0.00 0.12 0.00 0.00 56.93 57.04 1jrq s PHE 87 Cb 0.19 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 1jrq s PHE 87 CO 0.73 0.23 -0.20 -0.65 -0.10 0.00 0.00 175.22 175.22 1jrq s GLN 88 N -0.01 1.21 0.14 0.44 -1.52 -0.42 -4.93 119.66 114.57 1jrq s GLN 88 Ca 0.05 -1.05 -0.30 0.00 -1.95 0.00 0.00 55.36 52.10 1jrq s GLN 88 Cb -0.12 -1.40 -0.07 0.00 -0.22 0.00 0.00 33.01 31.20 1jrq s GLN 88 CO 0.01 0.34 1.10 0.14 -0.25 0.00 0.00 175.29 176.63 1jrq s VAL 89 N -1.01 4.01 -0.12 1.09 -7.23 -1.26 -2.71 120.40 113.17 1jrq s VAL 89 Ca 0.06 1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 61.59 1jrq s VAL 89 Cb -0.09 -4.05 -0.01 0.00 0.56 0.00 0.00 36.38 32.78 1jrq s VAL 89 CO 0.03 0.24 1.06 -0.70 -0.31 0.00 0.00 175.10 175.43 1jrq s GLU 90 N 0.00 4.38 -0.10 4.82 2.12 -1.26 -4.82 118.70 123.84 1jrq s GLU 90 Ca 0.51 1.45 -0.25 0.00 0.36 0.00 0.00 54.97 57.05 1jrq s GLU 90 Cb -0.28 -3.57 -0.28 0.00 0.26 0.00 0.00 34.13 30.26 1jrq s GLU 90 CO 0.33 -0.40 0.77 -0.22 -0.54 0.00 0.00 175.26 175.20 1jrq h LYS 91 N 7.26 0.14 -4.75 4.30 3.64 -1.97 -3.43 116.57 121.75 1jrq h LYS 91 Ca -0.30 -0.24 -0.68 0.00 -1.27 0.00 0.00 60.65 58.16 1jrq h LYS 91 Cb 1.14 0.09 -0.26 0.00 -0.41 0.00 0.00 32.23 32.78 1jrq h LYS 91 CO 0.88 1.11 -0.60 0.50 -2.27 0.00 0.00 179.45 179.08 1jrq s ARG 92 N -2.33 3.00 0.01 1.90 3.52 -1.26 -5.06 118.95 118.72 1jrq s ARG 92 Ca -0.17 -0.93 -0.37 0.00 -0.13 0.00 0.00 55.73 54.13 1jrq s ARG 92 Cb -0.00 -3.45 -0.15 0.00 -1.56 0.00 0.00 34.95 29.79 1jrq s ARG 92 CO 0.75 -0.51 1.54 -0.35 -0.81 0.00 0.00 175.30 175.92 1jrq n PRO 93 N 4.88 1.49 -2.43 5.12 -0.04 -1.26 -4.92 135.00 137.84 1jrq n PRO 93 Ca -0.14 0.54 -0.41 0.00 -0.04 0.00 0.00 63.50 63.45 1jrq n PRO 93 Cb 0.47 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1jrq n PRO 93 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1jrq s HIS 94 N 1.64 3.50 0.57 0.54 2.46 -1.26 -4.91 115.29 117.83 1jrq s HIS 94 Ca 0.87 1.50 0.27 0.00 0.47 0.00 0.00 55.06 58.17 1jrq s HIS 94 Cb -0.89 -3.36 1.54 0.00 -0.13 0.00 0.00 32.58 29.74 1jrq s HIS 94 CO 0.49 -0.95 2.03 -1.00 -2.47 0.00 0.00 174.74 172.85 1jrq h PRO 95 N 5.20 0.00 -0.16 2.88 0.13 -1.96 -1.50 132.00 136.59 1jrq h PRO 95 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jrq h PRO 95 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jrq h PRO 95 CO 0.74 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.79 1jrq n LEU 96 N -3.95 1.90 -4.74 1.56 4.77 -1.26 -4.90 117.00 110.39 1jrq n LEU 96 Ca 0.05 -0.77 -0.42 0.00 -0.03 0.00 0.00 56.01 54.84 1jrq n LEU 96 Cb 0.46 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1jrq n LEU 96 CO 0.30 0.39 1.17 0.59 -1.33 0.00 0.00 177.39 178.50 1jrq n ASN 97 N 0.48 3.60 -4.64 -1.43 5.03 -0.57 -4.91 115.26 112.82 1jrq n ASN 97 Ca 0.17 1.16 -0.31 0.00 0.87 0.00 0.00 54.58 56.48 1jrq n ASN 97 Cb 0.38 -1.56 0.18 0.00 -1.02 0.00 0.00 39.78 37.75 1jrq n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jrq s ALA 98 N -0.28 1.15 0.34 5.41 0.00 -1.26 -4.90 121.76 122.22 1jrq s ALA 98 Ca 0.62 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 1jrq s ALA 98 Cb -0.52 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.08 1jrq s ALA 98 CO 0.52 -2.92 1.48 -0.51 0.00 0.00 0.00 175.76 174.33 1jrq s LEU 99 N -6.69 4.35 0.94 0.00 1.43 -1.26 -4.98 118.68 112.47 1jrq s LEU 99 Ca 0.67 2.94 -0.15 0.00 -1.03 0.00 0.00 54.13 56.56 1jrq s LEU 99 Cb -0.23 -3.66 0.19 0.00 0.03 0.00 0.00 46.19 42.53 1jrq s LEU 99 CO 0.59 -0.82 1.30 0.42 0.23 0.00 0.00 176.35 178.08 1jrq s THR 100 N -0.81 2.01 0.21 5.49 -4.23 -1.26 -4.79 115.64 112.25 1jrq s THR 100 Ca 0.55 -0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.96 1jrq s THR 100 Cb -0.45 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.53 1jrq s THR 100 CO 0.57 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 176.39 1jrq h ALA 101 N -1.57 1.00 -0.51 3.99 0.00 -1.95 -0.17 119.26 120.06 1jrq h ALA 101 Ca -0.44 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 1jrq h ALA 101 Cb 1.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1jrq h ALA 101 CO 0.40 0.65 0.01 -0.44 0.00 0.00 0.00 179.25 179.87 1jrq h ASP 102 N 1.05 0.87 -0.53 0.00 3.32 -1.99 -1.15 116.42 117.99 1jrq h ASP 102 Ca 0.22 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1jrq h ASP 102 Cb 0.35 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1jrq h ASP 102 CO 0.00 0.96 0.03 -0.33 -1.72 0.00 0.00 179.24 178.18 1jrq h GLU 103 N 0.75 0.96 0.18 3.56 5.08 -1.82 -0.07 114.58 123.22 1jrq h GLU 103 Ca 0.14 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1jrq h GLU 103 Cb 0.51 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1jrq h GLU 103 CO 0.02 0.93 -0.09 0.82 -1.00 0.00 0.00 179.01 179.69 1jrq h ILE 104 N 0.89 0.83 -0.69 3.13 2.04 -0.73 0.14 117.51 123.11 1jrq h ILE 104 Ca 0.17 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.04 1jrq h ILE 104 Cb 0.48 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1jrq h ILE 104 CO 0.02 0.00 0.46 0.11 0.00 0.00 0.00 178.15 178.74 1jrq h LYS 105 N -0.24 0.89 -0.26 2.37 1.57 -1.01 -1.64 116.57 118.25 1jrq h LYS 105 Ca -0.02 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1jrq h LYS 105 Cb 0.18 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1jrq h LYS 105 CO 0.04 0.59 -0.06 0.37 -0.57 0.00 0.00 179.45 179.82 1jrq h GLN 106 N 0.91 0.50 -0.76 3.15 4.15 -0.60 -0.91 115.11 121.55 1jrq h GLN 106 Ca 0.26 -0.19 0.03 0.00 0.77 0.00 0.00 58.65 59.51 1jrq h GLN 106 Cb -0.07 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 1jrq h GLN 106 CO -0.06 0.72 0.49 0.00 -1.93 0.00 0.00 178.83 178.05 1jrq h ALA 107 N 0.77 0.99 -0.50 3.38 0.00 -0.52 -1.15 119.26 122.23 1jrq h ALA 107 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1jrq h ALA 107 Cb 0.53 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1jrq h ALA 107 CO 0.03 0.31 0.03 0.28 0.00 0.00 0.00 179.25 179.90 1jrq h VAL 108 N 0.97 1.26 -0.64 0.00 2.07 -1.13 -2.62 116.25 116.15 1jrq h VAL 108 Ca 0.30 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1jrq h VAL 108 Cb -0.02 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1jrq h VAL 108 CO -0.10 0.36 0.42 -0.33 0.02 0.00 0.00 177.57 177.95 1jrq h GLU 109 N 0.74 0.84 0.33 1.57 5.08 -0.57 -1.19 114.58 121.37 1jrq h GLU 109 Ca 0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1jrq h GLU 109 Cb 0.48 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1jrq h GLU 109 CO 0.02 0.55 -0.21 0.82 -1.00 0.00 0.00 179.01 179.20 1jrq h ILE 110 N 0.86 0.57 -0.37 3.13 2.04 -1.09 -1.33 117.51 121.32 1jrq h ILE 110 Ca 0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.07 1jrq h ILE 110 Cb -0.09 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1jrq h ILE 110 CO -0.06 0.00 0.11 -0.37 0.00 0.00 0.00 178.15 177.84 1jrq h VAL 111 N -0.52 1.16 0.00 1.67 -1.51 -1.32 -1.13 116.25 114.60 1jrq h VAL 111 Ca -0.03 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1jrq h VAL 111 Cb 0.43 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1jrq h VAL 111 CO 0.03 0.21 0.00 0.11 -1.23 0.00 0.00 177.57 176.69 1jrq h LYS 112 N 0.53 0.00 -0.00 5.19 1.57 -0.89 -1.78 116.57 121.19 1jrq h LYS 112 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1jrq h LYS 112 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1jrq h LYS 112 CO -0.01 0.00 -0.25 0.00 -0.57 0.00 0.00 179.45 178.62 1jrq n ALA 113 N -1.90 3.04 -2.00 3.86 0.00 -0.45 -4.87 120.51 118.19 1jrq n ALA 113 Ca 0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 1jrq n ALA 113 Cb 0.30 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1jrq n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jrq s SER 114 N -2.68 7.08 0.55 0.00 0.15 -0.67 -4.91 113.70 113.22 1jrq s SER 114 Ca 0.21 2.27 0.23 0.00 0.70 0.00 0.00 55.95 59.35 1jrq s SER 114 Cb 0.19 -2.61 1.47 0.00 -1.71 0.00 0.00 66.02 63.36 1jrq s SER 114 CO 0.56 -0.36 2.13 0.00 1.20 0.00 0.00 173.24 176.77 1jrq h ALA 115 N 5.01 1.96 0.00 5.45 0.00 -1.89 -1.69 119.26 128.10 1jrq h ALA 115 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jrq h ALA 115 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jrq h ALA 115 CO 0.73 -0.17 -0.56 -0.25 0.00 0.00 0.00 179.25 179.00 1jrq n ASP 116 N -4.24 0.61 -4.58 0.00 8.00 -1.26 -4.95 116.55 110.14 1jrq n ASP 116 Ca 0.00 0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 1jrq n ASP 116 Cb 0.22 0.16 -0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1jrq n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jrq n PHE 117 N -1.91 0.94 -5.00 1.24 7.35 -0.64 -4.98 117.46 114.46 1jrq n PHE 117 Ca 0.04 0.63 -0.32 0.00 -0.76 0.00 0.00 57.45 57.04 1jrq n PHE 117 Cb 0.41 -2.20 -0.15 0.00 0.35 0.00 0.00 39.48 37.89 1jrq n PHE 117 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1jrq s LYS 118 N -1.75 2.81 0.41 -4.13 -0.14 -1.26 -5.01 119.74 110.66 1jrq s LYS 118 Ca 0.61 -0.77 0.19 0.00 -1.36 0.00 0.00 55.97 54.64 1jrq s LYS 118 Cb -0.63 -2.38 1.12 0.00 -1.68 0.00 0.00 37.83 34.27 1jrq s LYS 118 CO 0.58 0.40 1.78 -1.35 -0.76 0.00 0.00 175.35 176.00 1jrq h PRO 119 N 6.06 0.36 -0.57 -1.68 0.11 -2.00 -1.79 132.00 132.49 1jrq h PRO 119 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1jrq h PRO 119 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jrq h PRO 119 CO 0.51 0.24 0.00 0.27 -0.21 0.00 0.00 178.00 178.81 1jrq n ASN 120 N -4.59 3.12 -4.71 -2.05 6.94 -1.26 -4.95 115.26 107.75 1jrq n ASN 120 Ca 0.25 -2.06 -0.42 0.00 -0.02 0.00 0.00 54.58 52.33 1jrq n ASN 120 Cb 0.88 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 37.88 1jrq n ASN 120 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jrq s THR 121 N -1.34 2.45 0.35 5.53 2.01 -0.67 -4.65 115.64 119.30 1jrq s THR 121 Ca 0.38 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.73 1jrq s THR 121 Cb 0.20 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 1jrq s THR 121 CO 0.24 0.02 0.29 -0.13 -0.69 0.00 0.00 174.62 174.35 1jrq s ARG 122 N 1.36 2.64 -0.26 4.92 0.52 -0.39 -4.93 118.95 122.80 1jrq s ARG 122 Ca 0.73 -1.37 0.01 0.00 -0.52 0.00 0.00 55.73 54.57 1jrq s ARG 122 Cb -0.46 -2.41 0.05 0.00 0.52 0.00 0.00 34.95 32.65 1jrq s ARG 122 CO 0.32 0.05 -0.08 -0.06 0.02 0.00 0.00 175.30 175.55 1jrq s PHE 123 N -2.35 3.21 0.16 -0.53 0.40 0.29 -0.79 117.98 118.37 1jrq s PHE 123 Ca 0.42 -2.07 -0.07 0.00 -0.60 0.00 0.00 56.93 54.61 1jrq s PHE 123 Cb -0.05 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.51 1jrq s PHE 123 CO 0.26 -0.84 1.46 1.79 0.70 0.00 0.00 175.22 178.60 1jrq h THR 124 N 6.56 1.30 -2.28 0.64 1.35 -1.39 -3.37 112.91 115.71 1jrq h THR 124 Ca -0.23 -1.76 -0.07 0.00 -0.55 0.00 0.00 66.41 63.80 1jrq h THR 124 Cb 1.06 1.70 -0.22 0.00 -1.73 0.00 0.00 68.15 68.96 1jrq h THR 124 CO 0.50 0.56 -0.01 -0.70 -0.25 0.00 0.00 175.52 175.63 1jrq s GLU 125 N -4.07 0.71 -0.27 4.72 2.12 -1.15 -4.97 118.70 115.79 1jrq s GLU 125 Ca -0.09 0.81 -0.03 0.00 0.36 0.00 0.00 54.97 56.02 1jrq s GLU 125 Cb 0.11 0.35 0.09 0.00 0.26 0.00 0.00 34.13 34.94 1jrq s GLU 125 CO 0.86 -0.09 0.11 0.42 -0.54 0.00 0.00 175.26 176.02 1jrq s ILE 126 N 0.26 0.20 0.07 -3.70 1.01 -1.26 -0.22 121.20 117.56 1jrq s ILE 126 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1jrq s ILE 126 Cb -0.04 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1jrq s ILE 126 CO 0.01 -0.63 -0.05 -0.44 0.00 0.00 0.00 174.94 173.84 1jrq s SER 127 N 1.97 0.77 0.34 3.58 0.01 -0.79 -4.65 113.70 114.93 1jrq s SER 127 Ca 0.08 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 56.10 1jrq s SER 127 Cb -0.16 0.14 -0.12 0.00 0.21 0.00 0.00 66.02 66.09 1jrq s SER 127 CO -0.29 -0.51 1.43 -0.11 0.41 0.00 0.00 173.24 174.17 1jrq n LEU 128 N 0.20 4.18 -4.67 2.44 7.94 -1.26 0.51 117.00 126.33 1jrq n LEU 128 Ca -0.14 1.20 -0.41 0.00 -1.11 0.00 0.00 56.01 55.55 1jrq n LEU 128 Cb 0.60 -1.56 -0.05 0.00 0.53 0.00 0.00 43.42 42.95 1jrq n LEU 128 CO 0.28 -0.11 0.51 -0.22 -1.11 0.00 0.00 177.39 176.74 1jrq s LEU 129 N -1.32 4.19 -0.55 -1.96 2.96 0.18 -4.62 118.68 117.56 1jrq s LEU 129 Ca 0.57 1.08 -0.34 0.00 -0.22 0.00 0.00 54.13 55.21 1jrq s LEU 129 Cb -0.52 -3.11 -0.14 0.00 0.50 0.00 0.00 46.19 42.91 1jrq s LEU 129 CO 0.60 -0.31 2.34 -0.81 -1.32 0.00 0.00 176.35 176.85 1jrq n PRO 130 N 4.93 0.64 -0.96 0.98 -0.04 -1.26 -4.66 135.00 134.64 1jrq n PRO 130 Ca 0.02 0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 1jrq n PRO 130 Cb 0.49 -2.25 0.14 0.00 -0.04 0.00 0.00 33.50 31.85 1jrq n PRO 130 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1jrq n PRO 131 N 8.30 -0.05 -1.83 0.54 -0.02 -1.26 -4.84 135.00 135.85 1jrq n PRO 131 Ca 0.49 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1jrq n PRO 131 Cb 0.19 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1jrq n PRO 131 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1jrq s ASP 132 N -2.25 6.49 0.29 2.55 -4.77 -1.26 -4.88 116.67 112.84 1jrq s ASP 132 Ca 0.70 2.72 0.04 0.00 -3.30 0.00 0.00 52.55 52.71 1jrq s ASP 132 Cb -0.27 -2.59 0.75 0.00 -1.09 0.00 0.00 42.92 39.72 1jrq s ASP 132 CO 0.54 -0.91 1.66 0.50 0.70 0.00 0.00 175.17 177.67 1jrq h LYS 133 N 7.10 0.27 -0.76 2.11 3.64 -2.00 -1.23 116.57 125.71 1jrq h LYS 133 Ca -0.43 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1jrq h LYS 133 Cb 1.20 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.93 1jrq h LYS 133 CO 0.94 0.18 0.39 1.49 -2.27 0.00 0.00 179.45 180.17 1jrq h GLU 134 N 0.28 1.08 -0.44 1.90 4.81 -2.00 -2.07 114.58 118.14 1jrq h GLU 134 Ca 0.57 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.54 1jrq h GLU 134 Cb 1.15 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1jrq h GLU 134 CO -0.61 0.82 -0.21 0.00 -0.73 0.00 0.00 179.01 178.28 1jrq h ALA 135 N 1.20 0.80 -0.66 2.92 0.00 -1.62 -2.16 119.26 119.73 1jrq h ALA 135 Ca 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1jrq h ALA 135 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1jrq h ALA 135 CO -0.04 0.65 0.33 0.28 0.00 0.00 0.00 179.25 180.48 1jrq h VAL 136 N 0.77 1.22 -0.43 0.00 2.07 -1.13 -0.67 116.25 118.07 1jrq h VAL 136 Ca 0.10 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 1jrq h VAL 136 Cb 0.75 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1jrq h VAL 136 CO 0.06 0.25 -0.18 -0.50 0.02 0.00 0.00 177.57 177.22 1jrq h TRP 137 N 0.91 0.94 -0.37 1.57 -0.00 -1.26 -1.46 115.95 116.28 1jrq h TRP 137 Ca 0.23 -0.20 -0.03 0.00 -0.00 0.00 0.00 58.89 58.89 1jrq h TRP 137 Cb 0.09 -0.23 -0.02 0.00 -0.00 0.00 0.00 29.16 29.01 1jrq h TRP 137 CO 0.00 0.94 0.11 0.00 -0.00 0.00 0.00 178.44 179.50 1jrq h ALA 138 N 1.06 1.51 0.03 1.49 0.00 -0.93 0.22 119.26 122.63 1jrq h ALA 138 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jrq h ALA 138 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jrq h ALA 138 CO 0.05 0.37 -0.01 0.35 0.00 0.00 0.00 179.25 180.01 1jrq h PHE 139 N 0.53 -0.03 -0.75 0.00 3.04 -0.63 0.36 116.94 119.45 1jrq h PHE 139 Ca 0.13 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.02 1jrq h PHE 139 Cb 0.17 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1jrq h PHE 139 CO 0.01 0.42 0.25 0.00 -2.02 0.00 0.00 178.31 176.97 1jrq h ALA 140 N 0.44 1.03 0.00 2.41 0.00 -0.83 0.42 119.26 122.73 1jrq h ALA 140 Ca -0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.36 1jrq h ALA 140 Cb 0.47 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1jrq h ALA 140 CO 0.01 0.66 -2.05 1.28 0.00 0.00 0.00 179.25 179.15 1jrq n LEU 141 N -4.26 0.62 -0.00 0.00 4.77 0.74 -4.55 117.00 114.32 1jrq n LEU 141 Ca 0.06 0.21 0.02 0.00 -0.03 0.00 0.00 56.01 56.27 1jrq n LEU 141 Cb 0.22 0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 1jrq n LEU 141 CO 0.41 0.47 -0.02 -0.62 -1.33 0.00 0.00 177.39 176.31 1jrq n GLU 142 N -2.94 5.50 -1.81 3.23 1.02 0.10 -5.01 120.64 120.74 1jrq n GLU 142 Ca -0.26 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.77 1jrq n GLU 142 Cb 1.10 -0.71 -0.03 0.00 -0.02 0.00 0.00 31.44 31.78 1jrq n GLU 142 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1jrq n ASN 143 N -1.11 -4.04 -4.71 1.62 2.85 0.15 -4.93 115.26 105.09 1jrq n ASN 143 Ca 0.01 0.13 -0.42 0.00 -0.11 0.00 0.00 54.58 54.19 1jrq n ASN 143 Cb 0.07 -2.93 -0.03 0.00 1.24 0.00 0.00 39.78 38.12 1jrq n ASN 143 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1jrq s LYS 144 N -3.84 4.55 0.60 1.20 2.20 -0.92 -4.89 119.74 118.65 1jrq s LYS 144 Ca 0.00 1.36 -0.19 0.00 -0.36 0.00 0.00 55.97 56.78 1jrq s LYS 144 Cb 0.00 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1jrq s LYS 144 CO 0.00 -0.02 1.29 -2.14 -0.36 0.00 0.00 175.35 174.11 1jrq s PRO 145 N 0.93 2.86 -0.26 4.03 0.02 -1.26 -3.62 135.00 137.70 1jrq s PRO 145 Ca 0.50 2.05 -0.18 0.00 0.02 0.00 0.00 61.00 63.39 1jrq s PRO 145 Cb -0.21 -2.00 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 1jrq s PRO 145 CO 0.27 -1.35 0.53 0.08 -0.33 0.00 0.00 177.00 176.20 1jrq s VAL 146 N -1.42 5.06 -2.06 3.83 1.01 -1.26 -4.95 120.40 120.61 1jrq s VAL 146 Ca 0.78 0.92 0.14 0.00 0.00 0.00 0.00 61.98 63.82 1jrq s VAL 146 Cb -0.36 -3.84 0.38 0.00 0.00 0.00 0.00 36.38 32.55 1jrq s VAL 146 CO 0.40 0.08 1.34 0.47 0.00 0.00 0.00 175.10 177.40 1jrq n ASP 147 N 5.54 2.16 -4.82 3.32 8.00 -1.26 -4.86 116.55 124.63 1jrq n ASP 147 Ca -0.04 -1.95 -0.38 0.00 0.71 0.00 0.00 54.79 53.13 1jrq n ASP 147 Cb 0.50 -0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 1jrq n ASP 147 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1jrq s GLN 148 N -1.50 3.89 0.43 -1.24 0.74 -1.26 -5.05 119.66 115.66 1jrq s GLN 148 Ca 0.29 0.26 -0.26 0.00 0.05 0.00 0.00 55.36 55.70 1jrq s GLN 148 Cb 0.15 -3.25 -0.09 0.00 1.10 0.00 0.00 33.01 30.92 1jrq s GLN 148 CO 0.20 0.62 1.44 -2.14 -0.55 0.00 0.00 175.29 174.86 1jrq s PRO 149 N -0.76 3.80 0.14 1.67 0.02 -1.26 -4.94 135.00 133.67 1jrq s PRO 149 Ca 0.21 2.46 -0.31 0.00 0.02 0.00 0.00 61.00 63.37 1jrq s PRO 149 Cb -0.15 -2.74 -0.10 0.00 0.02 0.00 0.00 34.50 31.53 1jrq s PRO 149 CO 0.10 -0.74 1.61 1.03 -0.33 0.00 0.00 177.00 178.67 1jrq s ARG 150 N -2.35 4.20 0.16 5.54 1.81 -1.26 -4.90 118.95 122.15 1jrq s ARG 150 Ca 0.59 2.38 0.06 0.00 -1.72 0.00 0.00 55.73 57.04 1jrq s ARG 150 Cb -0.44 -3.30 -0.04 0.00 -0.45 0.00 0.00 34.95 30.72 1jrq s ARG 150 CO 0.58 -0.66 -0.13 0.15 -0.68 0.00 0.00 175.30 174.56 1jrq s LYS 151 N 1.64 1.15 0.01 3.54 1.02 -1.26 -0.43 119.74 125.41 1jrq s LYS 151 Ca 0.72 -1.43 0.03 0.00 0.02 0.00 0.00 55.97 55.30 1jrq s LYS 151 Cb -0.43 -0.92 -0.01 0.00 -0.52 0.00 0.00 37.83 35.95 1jrq s LYS 151 CO 0.32 0.15 -0.09 0.00 -0.92 0.00 0.00 175.35 174.82 1jrq s ALA 152 N -2.78 0.69 -0.10 5.17 0.00 -0.56 -0.65 121.76 123.54 1jrq s ALA 152 Ca 0.16 -0.50 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 1jrq s ALA 152 Cb -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1jrq s ALA 152 CO 0.04 0.13 0.46 -0.51 0.00 0.00 0.00 175.76 175.87 1jrq s ASP 153 N -0.63 6.70 -0.28 0.00 1.01 0.18 -1.90 116.67 121.75 1jrq s ASP 153 Ca -0.00 0.83 0.02 0.00 0.71 0.00 0.00 52.55 54.11 1jrq s ASP 153 Cb -0.05 -2.28 0.08 0.00 1.01 0.00 0.00 42.92 41.68 1jrq s ASP 153 CO 0.00 0.06 -0.01 -0.69 0.21 0.00 0.00 175.17 174.74 1jrq s VAL 154 N 0.34 1.74 -0.27 -1.27 1.01 0.12 -1.89 120.40 120.17 1jrq s VAL 154 Ca 0.25 -1.62 -0.11 0.00 0.00 0.00 0.00 61.98 60.50 1jrq s VAL 154 Cb -0.15 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1jrq s VAL 154 CO 0.11 -0.31 0.19 -0.63 0.00 0.00 0.00 175.10 174.46 1jrq s ILE 155 N 1.25 5.31 0.22 2.22 1.01 0.69 -0.41 121.20 131.48 1jrq s ILE 155 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.93 1jrq s ILE 155 Cb -0.19 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1jrq s ILE 155 CO -0.09 0.26 -0.03 -0.04 0.00 0.00 0.00 174.94 175.04 1jrq s MET 156 N 1.69 2.25 -0.27 2.79 -1.94 0.02 -1.11 119.30 122.73 1jrq s MET 156 Ca 0.07 -1.31 0.02 0.00 -1.71 0.00 0.00 55.69 52.77 1jrq s MET 156 Cb -0.16 -2.20 0.07 0.00 2.01 0.00 0.00 34.83 34.55 1jrq s MET 156 CO 0.10 0.41 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.29 1jrq s LEU 157 N -3.26 3.41 -0.60 -0.03 2.96 0.03 -1.73 118.68 119.46 1jrq s LEU 157 Ca 0.29 -1.49 -0.10 0.00 -0.22 0.00 0.00 54.13 52.60 1jrq s LEU 157 Cb -0.08 -1.44 0.15 0.00 0.50 0.00 0.00 46.19 45.33 1jrq s LEU 157 CO 0.18 -0.25 0.49 -0.62 -1.32 0.00 0.00 176.35 174.84 1jrq s ASP 158 N 1.16 5.97 0.38 3.68 2.15 -0.02 -1.26 116.67 128.74 1jrq s ASP 158 Ca -0.04 -2.25 0.00 0.00 0.43 0.00 0.00 52.55 50.69 1jrq s ASP 158 Cb -0.19 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1jrq s ASP 158 CO -0.07 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 1jrq n GLY 159 N 4.49 1.63 0.00 2.66 0.00 -1.26 -1.68 105.19 111.03 1jrq n GLY 159 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1jrq n GLY 159 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jrq n LYS 160 N 0.00 -0.13 -3.54 1.61 2.85 -1.26 -4.99 118.16 112.70 1jrq n LYS 160 Ca 0.00 -0.35 -0.38 0.00 -1.05 0.00 0.00 58.31 56.54 1jrq n LYS 160 Cb 0.00 -0.83 -0.06 0.00 -0.65 0.00 0.00 35.03 33.48 1jrq n LYS 160 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1jrq s HIS 161 N -0.08 3.65 -0.02 5.58 3.76 -0.68 -4.47 115.29 123.03 1jrq s HIS 161 Ca 0.00 0.86 -0.15 0.00 -0.15 0.00 0.00 55.06 55.61 1jrq s HIS 161 Cb 0.00 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.36 1jrq s HIS 161 CO 0.00 0.55 0.42 0.42 -0.85 0.00 0.00 174.74 175.28 1jrq s ILE 162 N -0.66 5.04 -0.04 0.60 -1.09 -1.26 -0.84 121.20 122.94 1jrq s ILE 162 Ca 0.22 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1jrq s ILE 162 Cb -0.15 -3.74 0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1jrq s ILE 162 CO 0.10 0.54 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.71 1jrq s ILE 163 N -0.81 0.31 -0.22 2.92 1.01 -0.71 -0.44 121.20 123.27 1jrq s ILE 163 Ca 0.24 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 1jrq s ILE 163 Cb -0.17 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 1jrq s ILE 163 CO 0.13 0.18 0.08 -1.61 0.00 0.00 0.00 174.94 173.72 1jrq s GLU 164 N 1.05 3.86 0.13 2.79 2.02 0.62 -0.80 118.70 128.37 1jrq s GLU 164 Ca -0.09 -0.39 0.09 0.00 0.02 0.00 0.00 54.97 54.60 1jrq s GLU 164 Cb -0.14 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1jrq s GLU 164 CO -0.01 0.06 -0.22 0.00 0.02 0.00 0.00 175.26 175.11 1jrq s ALA 165 N 0.96 2.03 -0.06 5.21 0.00 0.45 0.15 121.76 130.50 1jrq s ALA 165 Ca 0.04 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.65 1jrq s ALA 165 Cb -0.14 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1jrq s ALA 165 CO 0.03 0.37 -0.13 0.08 0.00 0.00 0.00 175.76 176.11 1jrq s VAL 166 N -1.40 1.20 0.10 0.00 1.01 -0.43 0.13 120.40 121.01 1jrq s VAL 166 Ca 0.11 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.66 1jrq s VAL 166 Cb -0.09 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1jrq s VAL 166 CO 0.06 0.37 -0.25 0.68 0.00 0.00 0.00 175.10 175.95 1jrq s VAL 167 N 0.53 2.06 -0.51 2.92 -7.23 -0.80 -0.13 120.40 117.24 1jrq s VAL 167 Ca -0.13 -1.59 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 1jrq s VAL 167 Cb -0.15 -1.82 0.11 0.00 0.56 0.00 0.00 36.38 35.08 1jrq s VAL 167 CO 0.04 0.12 0.45 -0.62 -0.31 0.00 0.00 175.10 174.77 1jrq s ASP 168 N -1.80 6.11 0.26 4.85 -1.08 0.68 -1.50 116.67 124.18 1jrq s ASP 168 Ca 0.11 -1.68 0.01 0.00 -0.52 0.00 0.00 52.55 50.46 1jrq s ASP 168 Cb -0.10 -2.17 0.33 0.00 -1.46 0.00 0.00 42.92 39.51 1jrq s ASP 168 CO 0.05 -0.78 1.67 -0.07 0.52 0.00 0.00 175.17 176.56 1jrq h LEU 169 N 8.79 0.54 -0.67 -1.34 3.38 -1.04 0.16 115.31 125.14 1jrq h LEU 169 Ca -0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1jrq h LEU 169 Cb 1.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1jrq h LEU 169 CO 0.97 0.82 0.36 -0.61 0.09 0.00 0.00 178.44 180.07 1jrq h GLN 170 N 0.46 0.93 -0.66 1.13 4.15 -1.89 -2.84 115.11 116.39 1jrq h GLN 170 Ca 0.06 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1jrq h GLN 170 Cb 0.75 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1jrq h GLN 170 CO 0.06 0.71 0.00 0.09 -1.93 0.00 0.00 178.83 177.75 1jrq n ASN 171 N -4.52 3.80 -3.99 -0.69 3.02 -1.16 -4.99 115.26 106.73 1jrq n ASN 171 Ca 0.05 -2.00 -0.35 0.00 -0.03 0.00 0.00 54.58 52.25 1jrq n ASN 171 Cb 0.09 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1jrq n ASN 171 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jrq n ASN 172 N 1.51 -2.68 -3.80 6.41 5.15 0.48 -4.98 115.26 117.36 1jrq n ASN 172 Ca 0.23 -1.16 -0.12 0.00 -0.60 0.00 0.00 54.58 52.93 1jrq n ASN 172 Cb 0.60 -2.43 -0.09 0.00 -0.53 0.00 0.00 39.78 37.33 1jrq n ASN 172 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1jrq s LYS 173 N -6.84 0.62 -0.18 1.20 -2.85 -0.76 -4.99 119.74 105.95 1jrq s LYS 173 Ca 0.29 -0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 54.66 1jrq s LYS 173 Cb -0.14 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 35.90 1jrq s LYS 173 CO 0.93 -0.17 1.19 -1.17 0.10 0.00 0.00 175.35 176.23 1jrq s LEU 174 N -1.45 4.17 -0.10 2.77 2.96 -1.26 -0.23 118.68 125.53 1jrq s LEU 174 Ca -0.13 1.61 0.01 0.00 -0.22 0.00 0.00 54.13 55.40 1jrq s LEU 174 Cb -0.05 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.85 1jrq s LEU 174 CO 0.02 -0.72 0.45 0.18 -1.32 0.00 0.00 176.35 174.96 1jrq n LEU 175 N 6.42 2.00 -3.57 -0.68 4.77 0.81 -4.93 117.00 121.81 1jrq n LEU 175 Ca 0.13 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1jrq n LEU 175 Cb 0.45 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1jrq n LEU 175 CO 0.55 0.69 0.25 -0.94 -1.33 0.00 0.00 177.39 176.61 1jrq s SER 176 N -6.68 -0.39 -0.27 -1.43 1.04 -1.02 -4.96 113.70 99.99 1jrq s SER 176 Ca -0.16 -0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 1jrq s SER 176 Cb 0.07 0.50 0.13 0.00 0.10 0.00 0.00 66.02 66.82 1jrq s SER 176 CO 0.79 -0.79 0.28 0.86 0.98 0.00 0.00 173.24 175.35 1jrq s TRP 177 N -3.02 -0.41 -0.16 5.02 -0.11 -1.26 -1.31 118.94 117.69 1jrq s TRP 177 Ca -0.02 -0.09 -0.00 0.00 1.22 0.00 0.00 56.10 57.21 1jrq s TRP 177 Cb -0.00 -0.44 0.04 0.00 -1.50 0.00 0.00 33.47 31.56 1jrq s TRP 177 CO -0.06 -0.85 -0.08 -0.65 -4.62 0.00 0.00 176.95 170.69 1jrq s GLN 178 N 2.35 1.68 0.28 5.86 -0.21 0.12 -4.96 119.66 124.77 1jrq s GLN 178 Ca 0.09 -0.55 -0.29 0.00 0.02 0.00 0.00 55.36 54.62 1jrq s GLN 178 Cb -0.14 -2.05 -0.10 0.00 1.00 0.00 0.00 33.01 31.72 1jrq s GLN 178 CO -0.29 -0.38 1.30 -2.14 -2.12 0.00 0.00 175.29 171.65 1jrq s PRO 179 N 1.58 4.39 -0.38 2.91 0.02 -1.26 -0.28 135.00 141.98 1jrq s PRO 179 Ca 0.01 2.13 -0.06 0.00 0.02 0.00 0.00 61.00 63.10 1jrq s PRO 179 Cb -0.15 -3.12 0.07 0.00 0.02 0.00 0.00 34.50 31.32 1jrq s PRO 179 CO -0.08 -0.18 0.17 0.42 -0.33 0.00 0.00 177.00 177.00 1jrq s ILE 180 N -0.66 3.77 0.37 2.83 -1.09 0.41 -4.90 121.20 121.93 1jrq s ILE 180 Ca 0.52 -1.44 -0.27 0.00 -2.23 0.00 0.00 60.65 57.23 1jrq s ILE 180 Cb -0.38 -3.29 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 1jrq s ILE 180 CO 0.46 -0.39 1.21 -1.59 -1.23 0.00 0.00 174.94 173.40 1jrq s LYS 181 N 1.34 4.19 0.00 2.79 0.00 -1.26 -3.36 119.74 123.45 1jrq s LYS 181 Ca 0.02 1.98 0.00 0.00 0.00 0.00 0.00 55.97 57.96 1jrq s LYS 181 Cb -0.22 -2.86 0.00 0.00 0.00 0.00 0.00 37.83 34.76 1jrq s LYS 181 CO 0.01 -0.24 0.00 -0.25 0.00 0.00 0.00 175.35 174.87 1jrq n ASP 182 N 0.41 0.00 -4.79 0.03 8.00 -1.26 -4.98 116.55 113.96 1jrq n ASP 182 Ca 0.02 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.17 1jrq n ASP 182 Cb 0.45 -0.86 -0.06 0.00 -0.02 0.00 0.00 41.12 40.62 1jrq n ASP 182 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jrq s ALA 183 N -1.86 3.14 0.03 2.24 0.00 -1.21 -5.01 121.76 119.08 1jrq s ALA 183 Ca 0.00 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1jrq s ALA 183 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1jrq s ALA 183 CO 0.00 0.11 0.01 -1.01 0.00 0.00 0.00 175.76 174.87 1jrq s HIS 184 N -1.79 3.07 0.46 0.00 3.76 -1.26 -4.36 115.29 115.17 1jrq s HIS 184 Ca 0.55 0.06 -0.09 0.00 -0.15 0.00 0.00 55.06 55.42 1jrq s HIS 184 Cb -0.16 -1.64 -0.05 0.00 1.11 0.00 0.00 32.58 31.84 1jrq s HIS 184 CO 0.21 0.47 0.81 0.20 -0.85 0.00 0.00 174.74 175.59 1jrq s GLY 185 N -1.80 1.78 1.21 -2.22 0.00 -1.26 -4.58 107.32 100.46 1jrq s GLY 185 Ca 0.22 -0.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.49 1jrq s GLY 185 CO 0.13 -0.07 1.07 -3.16 0.00 0.00 0.00 173.10 171.07 1jrq s MET 186 N -4.28 -1.31 -0.11 2.90 0.23 -1.26 -4.89 119.30 110.58 1jrq s MET 186 Ca 0.51 0.09 -0.28 0.00 -1.03 0.00 0.00 55.69 54.98 1jrq s MET 186 Cb -0.10 -1.57 -0.01 0.00 -1.53 0.00 0.00 34.83 31.61 1jrq s MET 186 CO 0.38 -3.80 0.96 0.08 -2.03 0.00 0.00 175.02 170.60 1jrq s VAL 187 N -2.84 4.82 0.14 5.16 1.01 -0.09 -5.04 120.40 123.56 1jrq s VAL 187 Ca 0.70 1.94 0.03 0.00 0.00 0.00 0.00 61.98 64.65 1jrq s VAL 187 Cb -0.12 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1jrq s VAL 187 CO 0.57 0.03 0.20 -0.76 0.00 0.00 0.00 175.10 175.14 1jrq s LEU 188 N 1.94 4.08 0.27 3.92 1.43 -1.26 -4.67 118.68 124.38 1jrq s LEU 188 Ca 0.46 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1jrq s LEU 188 Cb -0.18 -2.68 0.55 0.00 0.03 0.00 0.00 46.19 43.91 1jrq s LEU 188 CO 0.17 0.08 1.61 0.25 0.23 0.00 0.00 176.35 178.69 1jrq h LEU 189 N 2.42 -0.39 -1.57 1.79 5.85 -1.96 0.31 115.31 121.76 1jrq h LEU 189 Ca -0.48 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1jrq h LEU 189 Cb 1.19 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1jrq h LEU 189 CO 0.67 -0.23 0.00 -2.24 -0.34 0.00 0.00 178.44 176.29 1jrq h ASP 190 N 0.08 0.00 -0.22 1.25 2.03 -2.01 -2.15 116.42 115.41 1jrq h ASP 190 Ca 0.48 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.71 1jrq h ASP 190 Cb 0.89 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.38 1jrq h ASP 190 CO -0.76 0.00 -0.09 0.44 -1.03 0.00 0.00 179.24 177.80 1jrq h ASP 191 N 0.00 0.57 -0.22 4.15 3.32 -0.77 -0.37 116.42 123.10 1jrq h ASP 191 Ca 0.00 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1jrq h ASP 191 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1jrq h ASP 191 CO 0.00 0.70 0.07 -0.26 -1.72 0.00 0.00 179.24 178.03 1jrq h PHE 192 N 0.55 0.35 -0.61 4.55 -1.00 -1.46 -0.63 116.94 118.70 1jrq h PHE 192 Ca 0.10 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1jrq h PHE 192 Cb 0.49 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 1jrq h PHE 192 CO 0.02 0.42 0.05 0.00 -1.61 0.00 0.00 178.31 177.19 1jrq h ALA 193 N 0.89 0.81 -0.17 2.45 0.00 -1.57 -2.42 119.26 119.25 1jrq h ALA 193 Ca 0.07 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1jrq h ALA 193 Cb 0.23 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1jrq h ALA 193 CO -0.00 0.61 -0.07 1.03 0.00 0.00 0.00 179.25 180.83 1jrq h SER 194 N 0.94 -0.23 -0.94 0.00 0.87 -0.86 -0.26 113.55 113.08 1jrq h SER 194 Ca 0.18 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1jrq h SER 194 Cb 0.50 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1jrq h SER 194 CO 0.02 -0.09 0.62 0.58 -0.53 0.00 0.00 176.83 177.44 1jrq h VAL 195 N -0.04 1.24 -0.34 2.23 2.07 -0.96 0.43 116.25 120.88 1jrq h VAL 195 Ca 0.09 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1jrq h VAL 195 Cb 0.17 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.78 1jrq h VAL 195 CO -0.20 0.23 0.08 -0.61 0.02 0.00 0.00 177.57 177.09 1jrq h GLN 196 N 1.28 0.55 0.03 1.57 5.75 -0.93 -1.68 115.11 121.68 1jrq h GLN 196 Ca 0.35 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 1jrq h GLN 196 Cb -0.14 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.34 1jrq h GLN 196 CO -0.08 0.60 -0.02 -0.91 -2.65 0.00 0.00 178.83 175.78 1jrq h ASN 197 N 0.39 -0.04 -0.27 -0.69 -0.26 -0.69 0.68 115.58 114.71 1jrq h ASN 197 Ca 0.11 -0.08 0.06 0.00 -0.56 0.00 0.00 56.30 55.82 1jrq h ASN 197 Cb 0.31 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.52 1jrq h ASN 197 CO 0.00 0.05 -0.09 0.40 -1.06 0.00 0.00 177.43 176.73 1jrq h ILE 198 N -0.13 0.68 -0.84 2.81 2.04 -0.88 0.17 117.51 121.36 1jrq h ILE 198 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1jrq h ILE 198 Cb 0.11 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1jrq h ILE 198 CO 0.01 0.00 0.54 0.40 0.00 0.00 0.00 178.15 179.10 1jrq h ILE 199 N -0.04 1.22 0.00 -0.67 5.03 -1.16 -2.01 117.51 119.89 1jrq h ILE 199 Ca 0.13 -0.43 -0.02 0.00 -0.12 0.00 0.00 64.86 64.42 1jrq h ILE 199 Cb 0.24 -0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.02 1jrq h ILE 199 CO -0.30 0.22 -0.12 0.78 -0.68 0.00 0.00 178.15 178.06 1jrq h ASN 200 N 1.15 0.00 0.01 1.72 -0.26 0.69 -2.54 115.58 116.34 1jrq h ASN 200 Ca 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 1jrq h ASN 200 Cb -0.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1jrq h ASN 200 CO -0.06 0.12 -0.30 0.59 -1.06 0.00 0.00 177.43 176.72 1jrq n ASN 201 N -3.65 2.17 -4.63 5.81 4.13 -0.11 -4.91 115.26 114.06 1jrq n ASN 201 Ca -0.02 -1.59 -0.43 0.00 1.68 0.00 0.00 54.58 54.23 1jrq n ASN 201 Cb 0.24 0.28 -0.02 0.00 -1.54 0.00 0.00 39.78 38.74 1jrq n ASN 201 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1jrq s SER 202 N -2.32 6.89 0.12 6.41 0.15 -0.84 -4.91 113.70 119.19 1jrq s SER 202 Ca 0.23 0.96 -0.14 0.00 0.70 0.00 0.00 55.95 57.70 1jrq s SER 202 Cb 0.19 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1jrq s SER 202 CO 0.48 -0.92 1.54 -0.33 1.20 0.00 0.00 173.24 175.21 1jrq h GLU 203 N 8.23 0.72 -0.27 5.44 5.08 -1.91 -1.34 114.58 130.54 1jrq h GLU 203 Ca -0.21 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1jrq h GLU 203 Cb 1.06 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1jrq h GLU 203 CO 1.04 0.85 0.02 0.93 -1.00 0.00 0.00 179.01 180.85 1jrq h GLU 204 N 0.54 0.47 -0.73 2.33 5.08 -1.97 -1.21 114.58 119.09 1jrq h GLU 204 Ca 0.10 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1jrq h GLU 204 Cb 0.56 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1jrq h GLU 204 CO 0.03 0.62 0.47 0.35 -1.00 0.00 0.00 179.01 179.48 1jrq h PHE 205 N 0.27 0.93 -0.76 4.33 3.04 -1.88 0.66 116.94 123.54 1jrq h PHE 205 Ca 0.08 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.06 1jrq h PHE 205 Cb 0.39 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 1jrq h PHE 205 CO 0.03 0.60 0.50 0.00 -2.02 0.00 0.00 178.31 177.43 1jrq h ALA 206 N 1.26 1.50 -0.16 2.41 0.00 -1.08 0.13 119.26 123.32 1jrq h ALA 206 Ca 0.27 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1jrq h ALA 206 Cb -0.09 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.42 1jrq h ALA 206 CO -0.06 0.45 -0.53 0.00 0.00 0.00 0.00 179.25 179.11 1jrq h ALA 207 N 1.54 0.27 -0.92 0.00 0.00 0.05 -0.29 119.26 119.92 1jrq h ALA 207 Ca 0.29 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jrq h ALA 207 Cb -0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1jrq h ALA 207 CO -0.07 0.47 0.61 0.00 0.00 0.00 0.00 179.25 180.26 1jrq h ALA 208 N 0.54 1.17 -0.37 0.00 0.00 0.11 -2.51 119.26 118.20 1jrq h ALA 208 Ca -0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1jrq h ALA 208 Cb 1.15 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1jrq h ALA 208 CO 0.11 0.56 -0.02 0.28 0.00 0.00 0.00 179.25 180.18 1jrq h VAL 209 N 1.24 1.26 -0.62 0.00 2.07 -0.72 -3.18 116.25 116.31 1jrq h VAL 209 Ca 0.34 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1jrq h VAL 209 Cb -0.13 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1jrq h VAL 209 CO -0.08 0.34 0.39 0.50 0.02 0.00 0.00 177.57 178.74 1jrq h LYS 210 N 0.49 0.75 -1.55 1.57 3.64 -0.66 -2.25 116.57 118.56 1jrq h LYS 210 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1jrq h LYS 210 Cb 0.49 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1jrq h LYS 210 CO 0.02 0.50 0.00 0.36 -2.27 0.00 0.00 179.45 178.06 1jrq n LYS 211 N -4.70 0.92 -0.34 1.90 2.85 -0.98 -2.15 118.16 115.66 1jrq n LYS 211 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1jrq n LYS 211 Cb 0.06 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1jrq n LYS 211 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1jrq n ARG 212 N 1.05 0.00 0.00 -1.58 1.74 -0.85 -4.98 116.66 112.03 1jrq n ARG 212 Ca 0.00 -0.55 0.00 0.00 -0.77 0.00 0.00 57.85 56.53 1jrq n ARG 212 Cb 0.46 -0.33 0.00 0.00 -1.02 0.00 0.00 32.46 31.57 1jrq n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jrq n GLY 213 N 0.00 2.89 3.66 -0.13 0.00 -0.91 -4.61 105.19 106.08 1jrq n GLY 213 Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1jrq n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrq s ILE 214 N -1.47 3.10 -0.16 -0.61 1.09 -1.18 -4.89 121.20 117.08 1jrq s ILE 214 Ca 0.00 0.12 -0.13 0.00 -1.10 0.00 0.00 60.65 59.53 1jrq s ILE 214 Cb 0.00 -3.08 -0.09 0.00 -1.06 0.00 0.00 42.46 38.23 1jrq s ILE 214 CO 0.00 -0.01 0.01 0.71 -0.10 0.00 0.00 174.94 175.55 1jrq h THR 215 N 5.70 0.39 -2.74 2.92 1.35 -1.88 -3.32 112.91 115.33 1jrq h THR 215 Ca -0.48 -1.46 -0.65 0.00 -0.55 0.00 0.00 66.41 63.27 1jrq h THR 215 Cb 1.23 0.90 -0.16 0.00 -1.73 0.00 0.00 68.15 68.39 1jrq h THR 215 CO 0.94 0.13 0.42 -0.62 -0.25 0.00 0.00 175.52 176.15 1jrq s ASP 216 N -6.12 6.18 0.28 5.36 -1.08 -1.26 -4.87 116.67 115.16 1jrq s ASP 216 Ca -0.18 -1.09 0.23 0.00 -0.52 0.00 0.00 52.55 50.98 1jrq s ASP 216 Cb 0.03 -2.39 1.03 0.00 -1.46 0.00 0.00 42.92 40.14 1jrq s ASP 216 CO 0.35 -1.34 1.69 0.00 0.52 0.00 0.00 175.17 176.38 1jrq n ALA 217 N 7.32 1.46 0.31 3.66 0.00 -1.26 -1.68 120.51 130.31 1jrq n ALA 217 Ca -0.05 0.12 0.16 0.00 0.00 0.00 0.00 53.44 53.67 1jrq n ALA 217 Cb 0.45 -1.36 0.66 0.00 0.00 0.00 0.00 19.45 19.19 1jrq n ALA 217 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jrq h LYS 218 N 0.00 0.00 -0.32 0.00 6.56 -1.98 -2.57 116.57 118.26 1jrq h LYS 218 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1jrq h LYS 218 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1jrq h LYS 218 CO 0.00 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.02 1jrq n LYS 219 N -2.88 1.73 -3.14 3.15 5.02 -0.68 -4.88 118.16 116.48 1jrq n LYS 219 Ca 0.01 -1.12 -0.40 0.00 -2.02 0.00 0.00 58.31 54.79 1jrq n LYS 219 Cb 0.28 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1jrq n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jrq s VAL 220 N -1.59 5.04 -0.23 -0.18 1.01 -0.97 -0.73 120.40 122.75 1jrq s VAL 220 Ca 0.21 1.16 -0.08 0.00 0.00 0.00 0.00 61.98 63.27 1jrq s VAL 220 Cb 0.11 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1jrq s VAL 220 CO 0.14 0.14 0.09 -0.63 0.00 0.00 0.00 175.10 174.85 1jrq s ILE 221 N 1.70 4.69 0.22 2.22 1.09 0.25 -4.95 121.20 126.43 1jrq s ILE 221 Ca 0.29 -0.05 0.05 0.00 -1.10 0.00 0.00 60.65 59.83 1jrq s ILE 221 Cb -0.16 -3.18 -0.03 0.00 -1.06 0.00 0.00 42.46 38.03 1jrq s ILE 221 CO 0.11 0.36 0.33 0.42 -0.10 0.00 0.00 174.94 176.06 1jrq s THR 222 N 1.20 5.18 -0.03 2.92 -4.23 -1.26 -1.15 115.64 118.27 1jrq s THR 222 Ca 0.05 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1jrq s THR 222 Cb -0.14 -3.79 0.03 0.00 1.34 0.00 0.00 72.50 69.94 1jrq s THR 222 CO 0.04 -0.28 0.00 0.42 -0.54 0.00 0.00 174.62 174.26 1jrq s THR 223 N -1.95 0.13 -0.06 3.99 -4.23 -0.73 -4.96 115.64 107.84 1jrq s THR 223 Ca 0.34 0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 60.73 1jrq s THR 223 Cb -0.09 -0.23 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1jrq s THR 223 CO 0.28 0.13 0.62 -2.16 -0.54 0.00 0.00 174.62 172.95 1jrq s PRO 224 N 0.96 4.38 0.03 3.99 0.04 -1.26 -2.65 135.00 140.48 1jrq s PRO 224 Ca -0.09 0.75 0.05 0.00 0.04 0.00 0.00 61.00 61.74 1jrq s PRO 224 Cb -0.13 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 1jrq s PRO 224 CO -0.02 0.18 -0.14 -0.51 0.04 0.00 0.00 177.00 176.55 1jrq s LEU 225 N 0.46 2.14 0.60 -3.56 1.43 -0.24 -4.97 118.68 114.54 1jrq s LEU 225 Ca 0.33 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.86 1jrq s LEU 225 Cb -0.17 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.39 1jrq s LEU 225 CO 0.16 0.06 1.06 0.42 0.23 0.00 0.00 176.35 178.28 1jrq s THR 226 N -0.74 3.78 -0.21 5.49 -4.23 -1.26 -0.46 115.64 118.01 1jrq s THR 226 Ca 0.02 0.84 0.21 0.00 -1.18 0.00 0.00 61.69 61.58 1jrq s THR 226 Cb -0.07 -3.37 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 1jrq s THR 226 CO 0.01 -0.49 1.01 -0.37 -0.54 0.00 0.00 174.62 174.23 1jrq h VAL 227 N 0.43 0.17 0.00 2.29 -1.51 -1.89 -3.44 116.25 112.30 1jrq h VAL 227 Ca -0.47 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 63.68 1jrq h VAL 227 Cb 1.22 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 32.08 1jrq h VAL 227 CO 0.57 0.09 0.00 0.61 -1.23 0.00 0.00 177.57 177.62 1jrq n GLY 228 N 1.24 -0.43 3.03 5.19 0.00 -1.26 -4.86 105.19 108.10 1jrq n GLY 228 Ca -0.03 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 1jrq n GLY 228 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jrq s TYR 229 N 0.00 -0.31 -0.07 1.61 5.04 -1.26 -4.27 117.35 118.09 1jrq s TYR 229 Ca 0.00 0.75 0.16 0.00 -2.44 0.00 0.00 57.07 55.54 1jrq s TYR 229 Cb 0.00 0.02 0.33 0.00 0.35 0.00 0.00 41.96 42.66 1jrq s TYR 229 CO 0.00 -0.23 1.15 1.19 -1.34 0.00 0.00 175.55 176.32 1jrq n PHE 230 N 4.27 0.00 -2.55 4.97 3.72 -1.26 -4.67 117.46 121.94 1jrq n PHE 230 Ca -0.25 -0.75 -0.12 0.00 -0.05 0.00 0.00 57.45 56.29 1jrq n PHE 230 Cb 0.53 -0.16 -0.00 0.00 -0.94 0.00 0.00 39.48 38.90 1jrq n PHE 230 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jrq n ASP 231 N -0.28 -3.49 0.00 4.37 2.03 -1.26 -0.76 116.55 117.17 1jrq n ASP 231 Ca 0.10 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1jrq n ASP 231 Cb 0.88 -2.97 0.00 0.00 -0.72 0.00 0.00 41.12 38.30 1jrq n ASP 231 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jrq n GLY 232 N -0.81 1.22 0.32 0.27 0.00 -1.26 -4.92 105.19 100.01 1jrq n GLY 232 Ca -0.11 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.11 1jrq n GLY 232 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jrq h LYS 233 N 3.22 0.00 -0.01 1.61 1.57 -1.34 0.20 116.57 121.81 1jrq h LYS 233 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jrq h LYS 233 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1jrq h LYS 233 CO 0.00 0.01 -0.08 -0.40 -0.57 0.00 0.00 179.45 178.41 1jrq n ASP 234 N -3.16 0.98 -2.97 0.86 5.75 -1.26 -4.94 116.55 111.80 1jrq n ASP 234 Ca -0.02 -1.10 -0.18 0.00 -0.01 0.00 0.00 54.79 53.48 1jrq n ASP 234 Cb 0.13 0.02 0.07 0.00 -1.03 0.00 0.00 41.12 40.30 1jrq n ASP 234 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jrq n GLY 235 N 1.21 -0.23 3.16 6.12 0.00 0.70 -5.02 105.19 111.13 1jrq n GLY 235 Ca 0.17 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1jrq n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jrq s LEU 236 N -5.89 1.96 0.01 0.99 1.43 -1.26 -5.09 118.68 110.83 1jrq s LEU 236 Ca 0.34 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.65 1jrq s LEU 236 Cb -0.15 -1.25 -0.08 0.00 0.03 0.00 0.00 46.19 44.74 1jrq s LEU 236 CO 0.58 0.12 1.98 -0.75 0.23 0.00 0.00 176.35 178.52 1jrq s LYS 237 N 0.47 4.05 0.44 1.70 2.20 -1.26 -4.75 119.74 122.59 1jrq s LYS 237 Ca -0.17 2.55 0.30 0.00 -0.36 0.00 0.00 55.97 58.30 1jrq s LYS 237 Cb -0.17 -4.18 1.48 0.00 -1.51 0.00 0.00 37.83 33.45 1jrq s LYS 237 CO 0.07 -1.06 1.91 0.37 -0.36 0.00 0.00 175.35 176.28 1jrq h GLN 238 N 10.97 0.00 0.07 4.03 5.75 -2.00 -3.02 115.11 130.91 1jrq h GLN 238 Ca -0.49 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 57.76 1jrq h GLN 238 Cb 1.24 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 1jrq h GLN 238 CO 0.94 0.00 -1.24 0.22 -2.65 0.00 0.00 178.83 176.10 1jrq h ASP 239 N 0.00 0.23 -4.11 -0.69 1.82 -1.99 -3.48 116.42 108.19 1jrq h ASP 239 Ca 0.00 -0.26 -0.47 0.00 -0.39 0.00 0.00 57.03 55.91 1jrq h ASP 239 Cb 0.18 -0.07 0.03 0.00 0.68 0.00 0.00 39.33 40.14 1jrq h ASP 239 CO 0.00 1.21 0.38 0.00 -1.61 0.00 0.00 179.24 179.22 1jrq s ALA 240 N -2.66 2.89 -0.64 -0.78 0.00 -1.15 -5.00 121.76 114.42 1jrq s ALA 240 Ca -0.03 0.48 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 1jrq s ALA 240 Cb 0.08 -3.21 0.07 0.00 0.00 0.00 0.00 23.12 20.05 1jrq s ALA 240 CO 0.85 -0.34 0.95 0.50 0.00 0.00 0.00 175.76 177.73 1jrq s ARG 241 N -3.51 3.14 0.35 0.00 3.52 -1.26 -5.00 118.95 116.19 1jrq s ARG 241 Ca 0.65 -0.75 0.09 0.00 -0.13 0.00 0.00 55.73 55.58 1jrq s ARG 241 Cb -0.14 -4.20 -0.06 0.00 -1.56 0.00 0.00 34.95 28.99 1jrq s ARG 241 CO 0.24 -1.76 -0.00 -0.51 -0.81 0.00 0.00 175.30 172.46 1jrq s LEU 242 N 4.02 2.94 -0.13 -0.88 1.43 -1.26 -0.85 118.68 123.95 1jrq s LEU 242 Ca 0.23 -1.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.12 1jrq s LEU 242 Cb -0.16 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.82 1jrq s LEU 242 CO 0.11 -0.25 0.44 -0.76 0.23 0.00 0.00 176.35 176.12 1jrq s LEU 243 N -3.70 0.33 0.10 1.79 1.43 -0.78 -4.65 118.68 113.19 1jrq s LEU 243 Ca 0.35 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 1jrq s LEU 243 Cb 0.01 1.56 -0.04 0.00 0.03 0.00 0.00 46.19 47.75 1jrq s LEU 243 CO 0.19 -0.25 0.25 -0.54 0.23 0.00 0.00 176.35 176.23 1jrq s LYS 244 N -0.19 3.45 -0.10 1.70 1.02 0.39 -0.78 119.74 125.25 1jrq s LYS 244 Ca -0.04 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 55.50 1jrq s LYS 244 Cb -0.03 -2.99 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1jrq s LYS 244 CO 0.02 0.56 -0.16 0.08 -0.92 0.00 0.00 175.35 174.93 1jrq s VAL 245 N -1.62 1.50 -0.10 3.17 1.01 0.13 -1.08 120.40 123.42 1jrq s VAL 245 Ca 0.35 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1jrq s VAL 245 Cb -0.12 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1jrq s VAL 245 CO 0.28 0.44 0.00 -0.63 0.00 0.00 0.00 175.10 175.19 1jrq s ILE 246 N 0.83 4.32 0.21 2.22 -1.09 -1.09 -2.22 121.20 124.38 1jrq s ILE 246 Ca -0.10 -0.24 0.10 0.00 -2.23 0.00 0.00 60.65 58.18 1jrq s ILE 246 Cb -0.16 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.85 1jrq s ILE 246 CO 0.01 0.59 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.67 1jrq s SER 247 N -0.68 3.13 0.13 3.58 0.01 -1.26 -1.77 113.70 116.84 1jrq s SER 247 Ca 0.11 -0.93 0.02 0.00 1.31 0.00 0.00 55.95 56.45 1jrq s SER 247 Cb -0.12 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1jrq s SER 247 CO 0.02 0.01 -0.04 -0.31 0.41 0.00 0.00 173.24 173.34 1jrq s TYR 248 N -2.19 1.01 -0.20 2.43 2.02 -0.30 -1.35 117.35 118.77 1jrq s TYR 248 Ca 0.22 -0.97 -0.08 0.00 -0.37 0.00 0.00 57.07 55.87 1jrq s TYR 248 Cb -0.05 -0.58 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 1jrq s TYR 248 CO 0.10 -0.19 0.08 -1.17 -1.57 0.00 0.00 175.55 172.80 1jrq s LEU 249 N -3.09 3.82 -0.40 -1.29 2.96 -0.19 -0.58 118.68 119.91 1jrq s LEU 249 Ca 0.17 0.05 -0.27 0.00 -0.22 0.00 0.00 54.13 53.86 1jrq s LEU 249 Cb 0.06 -1.98 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1jrq s LEU 249 CO -0.01 0.13 0.99 -0.62 -1.32 0.00 0.00 176.35 175.51 1jrq s ASP 250 N 0.63 6.67 0.00 3.68 -1.08 0.10 -4.63 116.67 122.04 1jrq s ASP 250 Ca 0.04 0.54 0.21 0.00 -0.52 0.00 0.00 52.55 52.82 1jrq s ASP 250 Cb -0.13 -2.49 0.35 0.00 -1.46 0.00 0.00 42.92 39.19 1jrq s ASP 250 CO 0.01 -0.97 1.31 0.52 0.52 0.00 0.00 175.17 176.57 1jrq n VAL 251 N 6.21 0.43 -0.72 1.11 0.31 -1.26 -4.94 118.33 119.46 1jrq n VAL 251 Ca 0.08 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1jrq n VAL 251 Cb 0.48 1.04 0.00 0.00 -0.91 0.00 0.00 33.84 34.46 1jrq n VAL 251 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jrq n GLY 252 N 1.32 0.67 1.32 2.92 0.00 -1.26 -4.93 105.19 105.22 1jrq n GLY 252 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1jrq n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jrq n ASP 253 N 0.00 3.82 -0.27 1.61 5.75 -1.26 -4.92 116.55 121.28 1jrq n ASP 253 Ca 0.00 -2.01 -0.04 0.00 -0.01 0.00 0.00 54.79 52.74 1jrq n ASP 253 Cb 0.00 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 39.60 1jrq n ASP 253 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jrq n GLY 254 N 1.62 0.53 2.26 6.12 0.00 -1.26 -4.10 105.19 110.36 1jrq n GLY 254 Ca 0.24 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1jrq n GLY 254 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jrq n ASN 255 N -0.38 0.33 0.30 1.61 5.15 -1.26 -4.88 115.26 116.12 1jrq n ASN 255 Ca -0.04 -2.69 0.17 0.00 -0.60 0.00 0.00 54.58 51.42 1jrq n ASN 255 Cb 0.32 -0.63 0.93 0.00 -0.53 0.00 0.00 39.78 39.87 1jrq n ASN 255 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1jrq h TYR 256 N 4.37 0.00 -0.02 1.20 -0.00 -1.91 -1.93 116.97 118.68 1jrq h TYR 256 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.86 1jrq h TYR 256 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.60 1jrq h TYR 256 CO 0.38 0.04 0.07 -1.49 -0.00 0.00 0.00 178.16 177.16 1jrq h TRP 257 N 0.00 0.00 -0.29 0.10 4.06 -1.92 -0.32 115.95 117.58 1jrq h TRP 257 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jrq h TRP 257 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1jrq h TRP 257 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1jrq n ALA 258 N -2.11 2.47 -3.19 1.49 0.00 -0.73 -4.40 120.51 114.04 1jrq n ALA 258 Ca -0.02 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.61 1jrq n ALA 258 Cb 0.15 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 1jrq n ALA 258 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jrq n HIS 259 N 0.46 0.52 -1.96 0.00 8.25 -0.13 -4.71 115.22 117.64 1jrq n HIS 259 Ca 0.13 -3.75 -0.38 0.00 -0.26 0.00 0.00 57.72 53.46 1jrq n HIS 259 Cb 0.31 -0.41 0.02 0.00 1.12 0.00 0.00 29.99 31.03 1jrq n HIS 259 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1jrq s PRO 260 N -1.95 3.48 -0.73 -0.41 0.04 -1.26 -1.02 135.00 133.15 1jrq s PRO 260 Ca 0.38 2.10 -0.04 0.00 0.04 0.00 0.00 61.00 63.48 1jrq s PRO 260 Cb 0.25 -2.40 0.19 0.00 0.04 0.00 0.00 34.50 32.57 1jrq s PRO 260 CO -0.09 -0.87 0.58 0.42 0.04 0.00 0.00 177.00 177.08 1jrq s ILE 261 N -1.36 4.18 0.37 0.56 1.01 -0.46 -4.40 121.20 121.11 1jrq s ILE 261 Ca 0.66 -3.13 -0.27 0.00 0.00 0.00 0.00 60.65 57.91 1jrq s ILE 261 Cb -0.37 -3.66 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1jrq s ILE 261 CO 0.45 -0.96 1.32 -0.70 0.00 0.00 0.00 174.94 175.05 1jrq s GLU 262 N -0.38 4.13 -0.75 2.79 2.56 -1.26 -3.71 118.70 122.08 1jrq s GLU 262 Ca 0.20 2.22 0.00 0.00 0.00 0.00 0.00 54.97 57.39 1jrq s GLU 262 Cb -0.15 -2.90 0.00 0.00 2.00 0.00 0.00 34.13 33.08 1jrq s GLU 262 CO -0.06 -0.38 0.00 0.09 -0.56 0.00 0.00 175.26 174.35 1jrq n ASN 263 N 0.42 -3.07 -3.76 -1.70 5.03 -1.26 -4.44 115.26 106.49 1jrq n ASN 263 Ca 0.02 -0.01 -0.27 0.00 0.87 0.00 0.00 54.58 55.19 1jrq n ASN 263 Cb 0.42 -2.35 -0.17 0.00 -1.02 0.00 0.00 39.78 36.67 1jrq n ASN 263 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1jrq s LEU 264 N -2.50 1.18 -0.09 3.41 2.96 -1.24 -0.23 118.68 122.17 1jrq s LEU 264 Ca 0.00 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.20 1jrq s LEU 264 Cb 0.00 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 46.09 1jrq s LEU 264 CO 0.00 -0.28 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.95 1jrq s VAL 265 N 1.84 1.13 -0.02 1.68 1.01 -0.21 -4.41 120.40 121.41 1jrq s VAL 265 Ca -0.00 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1jrq s VAL 265 Cb -0.16 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1jrq s VAL 265 CO -0.07 0.37 -0.02 0.00 0.00 0.00 0.00 175.10 175.38 1jrq s ALA 266 N 1.11 3.21 -0.20 5.51 0.00 -0.94 0.11 121.76 130.55 1jrq s ALA 266 Ca -0.06 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 1jrq s ALA 266 Cb -0.14 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 1jrq s ALA 266 CO -0.02 0.62 -0.01 0.08 0.00 0.00 0.00 175.76 176.44 1jrq s VAL 267 N -1.01 3.88 -0.11 0.00 1.01 0.34 0.19 120.40 124.70 1jrq s VAL 267 Ca 0.17 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 1jrq s VAL 267 Cb -0.11 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1jrq s VAL 267 CO 0.07 0.43 -0.09 -0.69 0.00 0.00 0.00 175.10 174.82 1jrq s VAL 268 N 1.07 3.49 -0.39 2.92 1.01 0.04 -0.58 120.40 127.96 1jrq s VAL 268 Ca 0.02 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1jrq s VAL 268 Cb -0.14 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1jrq s VAL 268 CO 0.01 0.55 0.45 -0.62 0.00 0.00 0.00 175.10 175.50 1jrq s ASP 269 N -0.15 6.22 0.50 3.32 -1.08 -0.48 -1.86 116.67 123.14 1jrq s ASP 269 Ca 0.01 -0.43 0.24 0.00 -0.52 0.00 0.00 52.55 51.85 1jrq s ASP 269 Cb -0.13 -2.23 1.33 0.00 -1.46 0.00 0.00 42.92 40.42 1jrq s ASP 269 CO 0.03 -0.53 2.05 -0.07 0.52 0.00 0.00 175.17 177.17 1jrq h LEU 270 N 9.06 0.00 0.18 -1.34 3.38 -1.30 0.76 115.31 126.04 1jrq h LEU 270 Ca -0.27 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.36 1jrq h LEU 270 Cb 1.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.88 1jrq h LEU 270 CO 0.78 0.14 -1.66 -0.33 0.09 0.00 0.00 178.44 177.46 1jrq h GLU 271 N 0.00 0.37 0.00 1.13 5.08 -1.94 -3.27 114.58 115.96 1jrq h GLU 271 Ca -0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 1jrq h GLU 271 Cb 0.34 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1jrq h GLU 271 CO 0.02 1.27 0.00 1.96 -1.00 0.00 0.00 179.01 181.26 1jrq h GLN 272 N 0.10 0.00 -6.00 2.33 4.20 -1.91 -3.47 115.11 110.36 1jrq h GLN 272 Ca -0.31 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.00 1jrq h GLN 272 Cb 2.09 0.00 0.07 0.00 0.30 0.00 0.00 27.48 29.94 1jrq h GLN 272 CO 0.19 0.00 -0.80 1.63 -0.67 0.00 0.00 178.83 179.18 1jrq n LYS 273 N -2.75 -5.55 -3.57 1.46 4.76 0.25 -4.99 118.16 107.78 1jrq n LYS 273 Ca 0.03 0.68 -0.11 0.00 -2.87 0.00 0.00 58.31 56.04 1jrq n LYS 273 Cb 0.38 -5.41 -0.03 0.00 -1.84 0.00 0.00 35.03 28.13 1jrq n LYS 273 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1jrq s LYS 274 N -5.94 1.33 -0.31 1.97 -2.85 -1.15 -4.94 119.74 107.86 1jrq s LYS 274 Ca 0.11 -0.64 -0.29 0.00 -1.00 0.00 0.00 55.97 54.15 1jrq s LYS 274 Cb -0.05 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.28 1jrq s LYS 274 CO 0.79 -0.58 1.21 0.42 0.10 0.00 0.00 175.35 177.30 1jrq s ILE 275 N -3.80 4.27 -0.84 3.79 1.01 -1.26 -1.38 121.20 122.99 1jrq s ILE 275 Ca 0.04 1.44 0.23 0.00 0.00 0.00 0.00 60.65 62.37 1jrq s ILE 275 Cb -0.01 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 38.10 1jrq s ILE 275 CO -0.08 -0.50 1.14 1.33 0.00 0.00 0.00 174.94 176.83 1jrq n VAL 276 N 6.11 0.07 -3.62 2.92 0.24 0.26 -4.94 118.33 119.37 1jrq n VAL 276 Ca 0.14 -0.10 -0.11 0.00 -2.04 0.00 0.00 64.34 62.22 1jrq n VAL 276 Cb 0.47 0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 33.17 1jrq n VAL 276 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1jrq s LYS 277 N -3.08 0.64 -0.18 7.34 2.20 -1.14 -4.99 119.74 120.53 1jrq s LYS 277 Ca 0.07 0.62 0.01 0.00 -0.36 0.00 0.00 55.97 56.31 1jrq s LYS 277 Cb 0.16 0.31 0.04 0.00 -1.51 0.00 0.00 37.83 36.82 1jrq s LYS 277 CO 0.78 -0.10 -0.11 0.42 -0.36 0.00 0.00 175.35 175.97 1jrq s ILE 278 N 0.01 1.55 -0.26 5.43 1.01 -1.26 0.13 121.20 127.80 1jrq s ILE 278 Ca 0.01 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.73 1jrq s ILE 278 Cb -0.04 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1jrq s ILE 278 CO -0.02 0.27 0.16 -1.61 0.00 0.00 0.00 174.94 173.74 1jrq s GLU 279 N 1.46 3.93 -0.02 2.79 2.02 0.12 -4.97 118.70 124.02 1jrq s GLU 279 Ca 0.01 -0.33 0.07 0.00 0.02 0.00 0.00 54.97 54.74 1jrq s GLU 279 Cb -0.15 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 1jrq s GLU 279 CO -0.09 -0.11 -0.23 -1.21 0.02 0.00 0.00 175.26 173.64 1jrq s GLU 280 N 1.53 2.19 0.00 1.61 2.02 -1.26 -1.05 118.70 123.74 1jrq s GLU 280 Ca 0.07 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1jrq s GLU 280 Cb -0.15 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1jrq s GLU 280 CO 0.08 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1jrq n GLY 281 N 2.37 6.67 3.75 -1.39 0.00 0.68 -5.01 105.19 112.27 1jrq n GLY 281 Ca -0.16 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1jrq n GLY 281 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jrq n PRO 282 N 0.00 2.10 -2.66 1.61 -0.02 -1.26 -4.94 135.00 129.83 1jrq n PRO 282 Ca 0.00 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.80 1jrq n PRO 282 Cb 0.00 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 30.85 1jrq n PRO 282 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jrq s VAL 283 N -1.22 4.69 -0.16 -1.45 1.01 -1.26 -4.64 120.40 117.37 1jrq s VAL 283 Ca 0.64 2.03 0.01 0.00 0.00 0.00 0.00 61.98 64.66 1jrq s VAL 283 Cb -0.44 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.64 1jrq s VAL 283 CO 0.55 -0.16 -0.19 -0.69 0.00 0.00 0.00 175.10 174.61 1jrq s VAL 284 N 3.08 2.22 0.14 2.92 1.01 -1.26 -5.09 120.40 123.42 1jrq s VAL 284 Ca 0.45 -0.91 -0.34 0.00 0.00 0.00 0.00 61.98 61.18 1jrq s VAL 284 Cb -0.15 -1.92 -0.14 0.00 0.00 0.00 0.00 36.38 34.16 1jrq s VAL 284 CO 0.07 0.53 1.54 -2.65 0.00 0.00 0.00 175.10 174.60 1jrq n PRO 285 N 4.33 1.98 -1.90 2.72 -0.02 -1.26 -4.57 135.00 136.27 1jrq n PRO 285 Ca -0.20 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 1jrq n PRO 285 Cb 0.51 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1jrq n PRO 285 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jrq s VAL 286 N 0.88 2.76 -0.06 -1.45 1.01 -1.26 -4.81 120.40 117.46 1jrq s VAL 286 Ca 0.80 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.89 1jrq s VAL 286 Cb -0.73 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1jrq s VAL 286 CO 0.40 0.02 1.96 -2.84 0.00 0.00 0.00 175.10 174.63 1jrq s PRO 287 N 1.91 3.87 -0.16 2.72 0.02 -1.26 -4.87 135.00 137.24 1jrq s PRO 287 Ca 0.73 2.35 0.18 0.00 0.02 0.00 0.00 61.00 64.27 1jrq s PRO 287 Cb -0.43 -4.18 -0.25 0.00 0.02 0.00 0.00 34.50 29.66 1jrq s PRO 287 CO 0.32 -1.25 0.21 -1.33 -0.33 0.00 0.00 177.00 174.62 1jrq n MET 288 N 7.80 0.68 -1.51 5.54 2.81 -1.26 -4.43 117.12 126.74 1jrq n MET 288 Ca 0.22 0.03 -0.51 0.00 -1.81 0.00 0.00 57.70 55.62 1jrq n MET 288 Cb 0.43 -1.57 -0.05 0.00 -0.71 0.00 0.00 33.22 31.32 1jrq n MET 288 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1jrq n THR 289 N -2.76 0.99 -2.12 2.03 -1.04 -1.26 -4.87 114.28 105.25 1jrq n THR 289 Ca -0.28 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.07 1jrq n THR 289 Cb 1.09 -0.42 -0.03 0.00 -1.82 0.00 0.00 70.33 69.15 1jrq n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jrq s ALA 290 N -0.38 3.58 -0.39 2.41 0.00 -1.26 -4.95 121.76 120.77 1jrq s ALA 290 Ca 0.75 1.21 0.10 0.00 0.00 0.00 0.00 51.96 54.02 1jrq s ALA 290 Cb -0.97 -3.52 0.31 0.00 0.00 0.00 0.00 23.12 18.93 1jrq s ALA 290 CO 0.55 -0.64 0.68 0.54 0.00 0.00 0.00 175.76 176.89 1jrq n ARG 291 N 2.68 0.87 -2.07 0.00 5.12 -1.26 -5.12 116.66 116.88 1jrq n ARG 291 Ca 0.07 -3.20 -0.37 0.00 -1.93 0.00 0.00 57.85 52.42 1jrq n ARG 291 Cb 0.41 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.24 1jrq n ARG 291 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1jrq s PRO 292 N -1.75 3.50 0.00 5.56 0.04 -1.26 -4.77 135.00 136.32 1jrq s PRO 292 Ca 0.37 1.94 0.04 0.00 0.04 0.00 0.00 61.00 63.39 1jrq s PRO 292 Cb 0.28 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1jrq s PRO 292 CO -0.09 -0.81 0.51 1.97 0.04 0.00 0.00 177.00 178.61 1jrq n PHE 293 N -0.73 0.00 1.50 0.56 1.16 -1.26 -4.65 117.46 114.03 1jrq n PHE 293 Ca 0.09 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.74 1jrq n PHE 293 Cb 0.47 0.00 0.30 0.00 -1.61 0.00 0.00 39.48 38.64 1jrq n PHE 293 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1jrq n ASP 294 N -0.09 0.96 0.00 5.98 5.75 -1.26 -4.92 116.55 122.97 1jrq n ASP 294 Ca 0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1jrq n ASP 294 Cb 0.09 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1jrq n ASP 294 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jrq n GLY 295 N 0.91 0.90 0.38 6.12 0.00 -1.26 -4.94 105.19 107.31 1jrq n GLY 295 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.29 1jrq n GLY 295 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jrq h ARG 296 N 3.21 0.52 -0.52 1.61 0.11 -1.92 -0.23 114.38 117.16 1jrq h ARG 296 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1jrq h ARG 296 Cb 0.00 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 30.96 1jrq h ARG 296 CO 0.00 0.35 0.00 -0.40 0.10 0.00 0.00 179.97 180.02 1jrq n ASP 297 N -4.55 3.21 -4.72 0.08 5.75 -1.26 -4.97 116.55 110.09 1jrq n ASP 297 Ca 0.19 -1.97 -0.23 0.00 -0.01 0.00 0.00 54.79 52.77 1jrq n ASP 297 Cb 0.60 -0.35 -0.06 0.00 -1.03 0.00 0.00 41.12 40.28 1jrq n ASP 297 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1jrq s ARG 298 N -1.31 2.50 0.00 0.11 1.81 -0.10 -5.10 118.95 116.87 1jrq s ARG 298 Ca 0.40 -1.32 -0.27 0.00 -1.72 0.00 0.00 55.73 52.82 1jrq s ARG 298 Cb 0.22 -2.29 -0.04 0.00 -0.45 0.00 0.00 34.95 32.38 1jrq s ARG 298 CO 0.29 0.34 0.83 0.08 -0.68 0.00 0.00 175.30 176.16 1jrq s VAL 299 N -2.28 4.85 -0.35 3.52 1.01 -1.26 -5.00 120.40 120.89 1jrq s VAL 299 Ca 0.33 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.77 1jrq s VAL 299 Cb -0.06 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.16 1jrq s VAL 299 CO 0.22 0.26 1.14 0.00 0.00 0.00 0.00 175.10 176.73 1jrq s ALA 300 N 0.54 3.39 0.56 5.51 0.00 -1.26 -4.99 121.76 125.51 1jrq s ALA 300 Ca 0.43 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.09 1jrq s ALA 300 Cb -0.20 -3.75 -0.05 0.00 0.00 0.00 0.00 23.12 19.12 1jrq s ALA 300 CO 0.24 -1.72 1.18 -1.25 0.00 0.00 0.00 175.76 174.21 1jrq s PRO 301 N 3.95 3.21 -0.14 0.00 0.04 -1.26 -5.00 135.00 135.80 1jrq s PRO 301 Ca 0.49 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 1jrq s PRO 301 Cb -0.12 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1jrq s PRO 301 CO 0.21 -0.99 0.43 0.00 0.04 0.00 0.00 177.00 176.68 1jrq s ALA 302 N -1.65 3.51 0.00 8.56 0.00 -1.26 -5.06 121.76 125.86 1jrq s ALA 302 Ca 0.74 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1jrq s ALA 302 Cb -0.28 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 1jrq s ALA 302 CO 0.31 -0.03 -0.08 0.08 0.00 0.00 0.00 175.76 176.03 1jrq s VAL 303 N 0.71 0.65 0.38 0.00 1.01 -1.26 -5.14 120.40 116.76 1jrq s VAL 303 Ca 0.23 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 1jrq s VAL 303 Cb -0.15 -0.57 -0.10 0.00 0.00 0.00 0.00 36.38 35.57 1jrq s VAL 303 CO 0.09 0.11 0.89 -0.54 0.00 0.00 0.00 175.10 175.64 1jrq s LYS 304 N -0.39 4.22 0.41 2.72 1.02 -1.26 -5.00 119.74 121.47 1jrq s LYS 304 Ca 0.02 1.03 -0.26 0.00 0.02 0.00 0.00 55.97 56.77 1jrq s LYS 304 Cb -0.04 -2.35 -0.09 0.00 -0.52 0.00 0.00 37.83 34.83 1jrq s LYS 304 CO -0.00 0.07 1.40 -1.25 -0.92 0.00 0.00 175.35 174.66 1jrq s PRO 305 N -2.93 3.90 -0.04 -1.68 0.04 -1.26 -5.03 135.00 128.00 1jrq s PRO 305 Ca 0.58 2.38 -0.02 0.00 0.04 0.00 0.00 61.00 63.98 1jrq s PRO 305 Cb -0.11 -2.78 0.03 0.00 0.04 0.00 0.00 34.50 31.68 1jrq s PRO 305 CO 0.16 -0.63 0.05 1.41 0.04 0.00 0.00 177.00 178.03 1jrq s MET 306 N -2.27 -0.04 0.03 4.56 1.75 -1.26 -5.15 119.30 116.92 1jrq s MET 306 Ca 0.57 0.34 0.04 0.00 -1.25 0.00 0.00 55.69 55.39 1jrq s MET 306 Cb -0.43 -0.49 -0.02 0.00 2.84 0.00 0.00 34.83 36.73 1jrq s MET 306 CO 0.56 -0.31 -0.12 -0.65 -0.65 0.00 0.00 175.02 173.85 1jrq s GLN 307 N 2.01 0.82 -0.32 4.11 -0.21 -1.26 -5.01 119.66 119.80 1jrq s GLN 307 Ca 0.03 -0.68 -0.09 0.00 0.02 0.00 0.00 55.36 54.64 1jrq s GLN 307 Cb -0.12 -0.78 0.01 0.00 1.00 0.00 0.00 33.01 33.11 1jrq s GLN 307 CO -0.03 0.19 0.13 0.42 -2.12 0.00 0.00 175.29 173.88 1jrq s ILE 308 N -0.83 4.32 0.13 1.08 1.01 -1.26 -5.08 121.20 120.57 1jrq s ILE 308 Ca -0.00 -0.63 0.10 0.00 0.00 0.00 0.00 60.65 60.12 1jrq s ILE 308 Cb -0.07 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 1jrq s ILE 308 CO 0.01 0.01 -0.24 0.27 0.00 0.00 0.00 174.94 174.99 1jrq s ILE 309 N 1.55 2.03 -0.49 2.92 -4.36 -1.26 -3.67 121.20 117.92 1jrq s ILE 309 Ca 0.03 -1.73 0.04 0.00 -0.26 0.00 0.00 60.65 58.73 1jrq s ILE 309 Cb -0.18 -1.84 0.17 0.00 1.25 0.00 0.00 42.46 41.87 1jrq s ILE 309 CO 0.05 -0.03 0.37 -1.61 0.24 0.00 0.00 174.94 173.96 1jrq s GLU 310 N -2.14 1.31 0.64 0.37 2.02 -1.26 -5.01 118.70 114.63 1jrq s GLU 310 Ca 0.12 -2.41 0.37 0.00 0.02 0.00 0.00 54.97 53.07 1jrq s GLU 310 Cb -0.09 -1.96 2.08 0.00 0.10 0.00 0.00 34.13 34.26 1jrq s GLU 310 CO 0.06 -1.35 2.26 -1.00 0.02 0.00 0.00 175.26 175.25 1jrq h PRO 311 N 5.64 0.00 -0.54 0.39 0.13 -1.97 -2.45 132.00 133.20 1jrq h PRO 311 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1jrq h PRO 311 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1jrq h PRO 311 CO 0.46 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.62 1jrq n GLU 312 N -3.37 2.89 0.00 0.86 1.02 -1.26 -3.59 120.64 117.18 1jrq n GLU 312 Ca -0.02 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 1jrq n GLU 312 Cb 0.14 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1jrq n GLU 312 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jrq n GLY 313 N 1.02 -2.70 3.95 0.62 0.00 -0.92 -4.82 105.19 102.35 1jrq n GLY 313 Ca 0.19 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.82 1jrq n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrq s LYS 314 N -0.75 3.11 0.00 1.61 -0.14 -1.26 -4.83 119.74 117.48 1jrq s LYS 314 Ca 0.00 -0.50 0.26 0.00 -1.36 0.00 0.00 55.97 54.37 1jrq s LYS 314 Cb 0.00 -2.58 0.63 0.00 -1.68 0.00 0.00 37.83 34.20 1jrq s LYS 314 CO 0.00 -0.21 1.49 0.09 -0.76 0.00 0.00 175.35 175.96 1jrq n ASN 315 N -2.02 0.79 -4.82 2.83 4.13 -1.26 -4.88 115.26 110.03 1jrq n ASN 315 Ca 0.01 -0.60 -0.22 0.00 1.68 0.00 0.00 54.58 55.45 1jrq n ASN 315 Cb 0.58 0.20 -0.04 0.00 -1.54 0.00 0.00 39.78 38.97 1jrq n ASN 315 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1jrq s TYR 316 N -2.73 3.07 -0.01 3.10 -0.85 -1.26 -4.45 117.35 114.21 1jrq s TYR 316 Ca 0.18 -0.14 0.05 0.00 -0.52 0.00 0.00 57.07 56.65 1jrq s TYR 316 Cb 0.18 -1.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.06 1jrq s TYR 316 CO 0.61 0.48 -0.18 0.99 -1.52 0.00 0.00 175.55 175.93 1jrq s THR 317 N -2.16 1.38 -0.36 -3.49 2.01 -0.35 -4.75 115.64 107.92 1jrq s THR 317 Ca 0.34 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1jrq s THR 317 Cb -0.08 -1.16 0.10 0.00 0.01 0.00 0.00 72.50 71.37 1jrq s THR 317 CO 0.25 0.35 0.10 -0.63 -0.69 0.00 0.00 174.62 174.00 1jrq s ILE 318 N -0.46 2.72 -0.43 1.82 1.01 0.20 -1.80 121.20 124.26 1jrq s ILE 318 Ca 0.07 -2.12 -0.14 0.00 0.00 0.00 0.00 60.65 58.46 1jrq s ILE 318 Cb -0.07 -2.89 0.05 0.00 0.01 0.00 0.00 42.46 39.56 1jrq s ILE 318 CO -0.00 -0.57 0.32 -0.89 0.00 0.00 0.00 174.94 173.80 1jrq s THR 319 N 1.03 4.96 0.00 2.92 2.01 -0.22 -1.30 115.64 125.04 1jrq s THR 319 Ca 0.08 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1jrq s THR 319 Cb -0.21 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1jrq s THR 319 CO -0.06 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 1jrq n GLY 320 N 5.11 3.71 0.57 4.40 0.00 -1.10 -0.56 105.19 117.32 1jrq n GLY 320 Ca -0.12 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.92 1jrq n GLY 320 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jrq n ASP 321 N 9.01 2.71 -4.70 1.61 8.00 -1.26 -4.98 116.55 126.94 1jrq n ASP 321 Ca 0.00 -1.91 -0.39 0.00 0.71 0.00 0.00 54.79 53.19 1jrq n ASP 321 Cb 0.00 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 1jrq n ASP 321 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1jrq s MET 322 N -0.98 4.36 -0.15 -1.24 -1.94 0.28 -1.12 119.30 118.51 1jrq s MET 322 Ca 0.20 0.74 -0.04 0.00 -1.71 0.00 0.00 55.69 54.88 1jrq s MET 322 Cb 0.11 -3.48 -0.03 0.00 2.01 0.00 0.00 34.83 33.44 1jrq s MET 322 CO 0.15 0.01 -0.00 0.42 -0.01 0.00 0.00 175.02 175.58 1jrq s ILE 323 N 1.05 4.22 -0.11 2.53 1.01 0.18 -1.06 121.20 129.03 1jrq s ILE 323 Ca 0.33 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.76 1jrq s ILE 323 Cb -0.17 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.47 1jrq s ILE 323 CO 0.14 0.51 -0.18 -2.28 0.00 0.00 0.00 174.94 173.14 1jrq s HIS 324 N 0.09 2.14 -0.25 3.97 5.65 -0.75 -1.19 115.29 124.94 1jrq s HIS 324 Ca 0.02 -0.96 -0.02 0.00 0.25 0.00 0.00 55.06 54.34 1jrq s HIS 324 Cb -0.13 -1.50 0.14 0.00 -1.18 0.00 0.00 32.58 29.92 1jrq s HIS 324 CO 0.02 -0.46 0.41 -0.46 -0.65 0.00 0.00 174.74 173.61 1jrq s TRP 325 N 0.77 -0.96 0.00 3.88 -0.00 -0.61 -1.21 118.94 120.82 1jrq s TRP 325 Ca -0.11 0.94 0.00 0.00 -0.00 0.00 0.00 56.10 56.94 1jrq s TRP 325 Cb -0.16 0.10 0.00 0.00 -0.00 0.00 0.00 33.47 33.41 1jrq s TRP 325 CO 0.01 -0.76 0.00 0.54 -0.00 0.00 0.00 176.95 176.75 1jrq n ARG 326 N 5.37 0.00 0.00 5.86 1.74 -1.26 -1.14 116.66 127.23 1jrq n ARG 326 Ca -0.03 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.19 1jrq n ARG 326 Cb 0.50 0.00 0.54 0.00 -1.02 0.00 0.00 32.46 32.48 1jrq n ARG 326 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jrq n ASN 327 N 6.32 0.42 -4.89 0.55 5.03 -1.26 -4.90 115.26 116.53 1jrq n ASN 327 Ca 0.00 -0.34 -0.30 0.00 0.87 0.00 0.00 54.58 54.81 1jrq n ASN 327 Cb 0.00 -0.08 -0.04 0.00 -1.02 0.00 0.00 39.78 38.64 1jrq n ASN 327 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 1jrq s TRP 328 N -2.66 3.46 -0.14 3.10 0.52 -0.30 0.26 118.94 123.19 1jrq s TRP 328 Ca 0.23 0.79 -0.06 0.00 0.02 0.00 0.00 56.10 57.08 1jrq s TRP 328 Cb 0.19 -2.22 0.06 0.00 -1.15 0.00 0.00 33.47 30.36 1jrq s TRP 328 CO 0.52 0.16 0.31 -0.51 0.02 0.00 0.00 176.95 177.45 1jrq s ASP 329 N -2.89 -0.17 0.17 2.95 1.01 -1.06 -1.57 116.67 115.12 1jrq s ASP 329 Ca 0.46 0.70 -0.16 0.00 0.71 0.00 0.00 52.55 54.26 1jrq s ASP 329 Cb -0.11 0.70 0.03 0.00 1.01 0.00 0.00 42.92 44.55 1jrq s ASP 329 CO 0.27 -0.20 0.46 0.72 0.21 0.00 0.00 175.17 176.63 1jrq s PHE 330 N 1.77 -0.09 -0.11 4.23 -0.71 -0.34 -1.11 117.98 121.62 1jrq s PHE 330 Ca -0.06 -0.24 -0.01 0.00 -1.04 0.00 0.00 56.93 55.58 1jrq s PHE 330 Cb -0.10 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 1jrq s PHE 330 CO -0.10 -0.82 -0.06 -1.58 -1.34 0.00 0.00 175.22 171.32 1jrq s HIS 331 N -3.86 2.98 -0.18 3.49 2.46 0.57 0.51 115.29 121.26 1jrq s HIS 331 Ca 0.08 -0.17 0.01 0.00 0.47 0.00 0.00 55.06 55.45 1jrq s HIS 331 Cb 0.00 -1.83 0.03 0.00 -0.13 0.00 0.00 32.58 30.65 1jrq s HIS 331 CO -0.06 0.13 -0.14 -1.17 -2.47 0.00 0.00 174.74 171.04 1jrq s LEU 332 N -0.20 2.13 0.32 8.88 2.96 -0.28 -0.05 118.68 132.44 1jrq s LEU 332 Ca 0.03 -0.73 0.03 0.00 -0.22 0.00 0.00 54.13 53.24 1jrq s LEU 332 Cb -0.13 -1.30 -0.05 0.00 0.50 0.00 0.00 46.19 45.21 1jrq s LEU 332 CO 0.03 -0.08 0.10 -0.94 -1.32 0.00 0.00 176.35 174.13 1jrq s SER 333 N 1.38 2.02 -0.05 3.68 1.04 -0.60 -4.80 113.70 116.36 1jrq s SER 333 Ca 0.02 -1.46 0.06 0.00 0.48 0.00 0.00 55.95 55.04 1jrq s SER 333 Cb -0.15 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 1jrq s SER 333 CO -0.10 -0.74 -0.24 -0.32 0.98 0.00 0.00 173.24 172.82 1jrq s MET 334 N -3.89 2.52 -0.06 4.02 1.75 -1.26 -0.56 119.30 121.82 1jrq s MET 334 Ca 0.34 -0.88 0.05 0.00 -1.25 0.00 0.00 55.69 53.95 1jrq s MET 334 Cb 0.07 -2.18 -0.01 0.00 2.84 0.00 0.00 34.83 35.55 1jrq s MET 334 CO 0.15 0.42 -0.24 1.21 -0.65 0.00 0.00 175.02 175.92 1jrq s ASN 335 N -0.26 2.93 0.58 1.11 3.84 0.57 -4.92 114.94 118.79 1jrq s ASN 335 Ca -0.01 -0.50 0.32 0.00 0.21 0.00 0.00 52.86 52.89 1jrq s ASN 335 Cb -0.13 -0.92 1.77 0.00 -0.55 0.00 0.00 41.25 41.43 1jrq s ASN 335 CO 0.03 0.21 2.19 0.77 -2.79 0.00 0.00 177.10 177.52 1jrq h SER 336 N 6.23 0.00 0.00 -4.21 4.64 -1.90 0.02 113.55 118.33 1jrq h SER 336 Ca -0.29 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.92 1jrq h SER 336 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1jrq h SER 336 CO 0.47 0.05 -0.97 -1.14 -0.87 0.00 0.00 176.83 174.37 1jrq n ARG 337 N -3.59 0.51 0.00 4.77 0.63 -1.26 -0.84 116.66 116.88 1jrq n ARG 337 Ca -0.02 0.48 0.12 0.00 -0.92 0.00 0.00 57.85 57.51 1jrq n ARG 337 Cb 0.15 -1.66 0.20 0.00 0.45 0.00 0.00 32.46 31.60 1jrq n ARG 337 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1jrq n VAL 338 N -4.51 0.00 -2.88 5.15 0.24 -1.25 -2.12 118.33 112.97 1jrq n VAL 338 Ca -0.19 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 1jrq n VAL 338 Cb 0.47 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 1jrq n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jrq n GLY 339 N 1.32 0.55 3.77 7.63 0.00 -0.01 -4.36 105.19 114.09 1jrq n GLY 339 Ca 0.14 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 1jrq n GLY 339 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jrq s PRO 340 N 0.00 4.03 -0.13 1.61 0.04 -1.26 -0.31 135.00 138.97 1jrq s PRO 340 Ca 0.00 2.33 -0.00 0.00 0.04 0.00 0.00 61.00 63.37 1jrq s PRO 340 Cb 0.00 -2.86 0.03 0.00 0.04 0.00 0.00 34.50 31.71 1jrq s PRO 340 CO 0.00 -0.51 -0.08 -1.64 0.04 0.00 0.00 177.00 174.81 1jrq s MET 341 N -2.15 1.63 -0.37 4.56 -1.94 0.28 -4.37 119.30 116.93 1jrq s MET 341 Ca 0.55 -0.37 -0.16 0.00 -1.71 0.00 0.00 55.69 54.00 1jrq s MET 341 Cb -0.42 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 34.65 1jrq s MET 341 CO 0.55 -0.30 0.39 0.42 -0.01 0.00 0.00 175.02 176.06 1jrq s ILE 342 N 1.65 5.14 0.28 2.53 -1.09 0.09 -1.56 121.20 128.25 1jrq s ILE 342 Ca 0.04 -0.11 0.09 0.00 -2.23 0.00 0.00 60.65 58.44 1jrq s ILE 342 Cb -0.13 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1jrq s ILE 342 CO -0.08 -0.21 -0.13 -0.44 -1.23 0.00 0.00 174.94 172.84 1jrq s SER 343 N 1.76 3.22 -1.24 3.58 0.01 0.93 -0.27 113.70 121.69 1jrq s SER 343 Ca 0.12 -1.11 -0.32 0.00 1.31 0.00 0.00 55.95 55.95 1jrq s SER 343 Cb -0.17 -0.25 0.04 0.00 0.21 0.00 0.00 66.02 65.86 1jrq s SER 343 CO 0.12 -0.15 0.61 0.35 0.41 0.00 0.00 173.24 174.58 1jrq n THR 344 N -0.61 -2.42 -2.78 1.44 -2.24 -0.02 -0.32 114.28 107.34 1jrq n THR 344 Ca -0.06 -0.58 -0.43 0.00 -2.27 0.00 0.00 64.05 60.72 1jrq n THR 344 Cb 0.62 -2.07 -0.03 0.00 -2.10 0.00 0.00 70.33 66.74 1jrq n THR 344 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1jrq s VAL 345 N -3.63 4.62 0.25 2.28 1.01 0.60 -4.25 120.40 121.29 1jrq s VAL 345 Ca 0.45 1.44 0.10 0.00 0.00 0.00 0.00 61.98 63.96 1jrq s VAL 345 Cb -0.25 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 1jrq s VAL 345 CO 0.97 -0.41 -0.17 0.42 0.00 0.00 0.00 175.10 175.91 1jrq s THR 346 N 3.37 2.15 -0.16 3.92 -4.23 -0.26 -1.58 115.64 118.84 1jrq s THR 346 Ca 0.39 -2.31 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1jrq s THR 346 Cb -0.13 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1jrq s THR 346 CO 0.15 -0.46 -0.16 -0.47 -0.54 0.00 0.00 174.62 173.14 1jrq s TYR 347 N -2.71 2.45 -0.61 3.99 6.14 -0.05 -2.55 117.35 124.02 1jrq s TYR 347 Ca 0.27 -1.43 -0.28 0.00 0.64 0.00 0.00 57.07 56.28 1jrq s TYR 347 Cb -0.03 -1.74 0.03 0.00 0.42 0.00 0.00 41.96 40.64 1jrq s TYR 347 CO 0.12 -0.73 1.28 1.21 0.64 0.00 0.00 175.55 178.06 1jrq s ASN 348 N 1.40 6.29 -0.71 4.32 2.47 0.14 -0.59 114.94 128.25 1jrq s ASN 348 Ca 0.05 0.05 -0.14 0.00 0.42 0.00 0.00 52.86 53.24 1jrq s ASN 348 Cb -0.13 -2.55 0.18 0.00 -1.45 0.00 0.00 41.25 37.30 1jrq s ASN 348 CO -0.12 -1.62 0.65 -0.62 -3.72 0.00 0.00 177.10 171.67 1jrq s ASP 349 N 3.56 6.46 -1.38 -4.21 -1.08 0.21 -4.66 116.67 115.58 1jrq s ASP 349 Ca 0.44 -2.40 -0.04 0.00 -0.52 0.00 0.00 52.55 50.04 1jrq s ASP 349 Cb -0.08 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1jrq s ASP 349 CO 0.23 -0.65 0.44 0.59 0.52 0.00 0.00 175.17 176.30 1jrq n ASN 350 N 4.36 -0.94 0.00 -0.34 5.03 -1.26 -2.05 115.26 120.07 1jrq n ASN 350 Ca 0.04 -1.03 0.00 0.00 0.87 0.00 0.00 54.58 54.46 1jrq n ASN 350 Cb 0.44 -2.96 0.00 0.00 -1.02 0.00 0.00 39.78 36.24 1jrq n ASN 350 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jrq n GLY 351 N -1.99 2.77 3.58 7.41 0.00 -1.26 -5.04 105.19 110.65 1jrq n GLY 351 Ca -0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 1jrq n GLY 351 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrq s THR 352 N -2.79 5.17 -0.31 2.61 2.01 -0.87 -5.05 115.64 116.42 1jrq s THR 352 Ca 0.00 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1jrq s THR 352 Cb 0.00 -3.45 0.01 0.00 0.01 0.00 0.00 72.50 69.06 1jrq s THR 352 CO 0.00 0.27 1.23 -0.54 -0.69 0.00 0.00 174.62 174.89 1jrq s LYS 353 N 1.65 3.96 -0.13 4.92 1.02 -1.26 -0.62 119.74 129.29 1jrq s LYS 353 Ca 0.07 1.18 -0.06 0.00 0.02 0.00 0.00 55.97 57.18 1jrq s LYS 353 Cb -0.16 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.28 1jrq s LYS 353 CO 0.09 -1.05 0.09 1.03 -0.92 0.00 0.00 175.35 174.58 1jrq s ARG 354 N 4.01 3.51 0.49 1.68 0.52 0.24 -4.87 118.95 124.53 1jrq s ARG 354 Ca 0.53 -0.26 -0.23 0.00 -0.52 0.00 0.00 55.73 55.25 1jrq s ARG 354 Cb -0.15 -3.11 -0.06 0.00 0.52 0.00 0.00 34.95 32.14 1jrq s ARG 354 CO 0.21 0.60 1.24 0.15 0.02 0.00 0.00 175.30 177.52 1jrq s LYS 355 N -0.55 3.53 0.10 3.54 1.02 -1.26 -0.87 119.74 125.25 1jrq s LYS 355 Ca 0.11 1.96 0.00 0.00 0.02 0.00 0.00 55.97 58.07 1jrq s LYS 355 Cb -0.12 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1jrq s LYS 355 CO 0.02 -0.79 0.00 0.28 -0.92 0.00 0.00 175.35 173.94 1jrq n VAL 356 N -0.67 0.21 -3.73 3.17 0.31 -0.62 -1.19 118.33 115.81 1jrq n VAL 356 Ca 0.08 0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 64.34 1jrq n VAL 356 Cb 0.47 -0.90 -0.15 0.00 -0.91 0.00 0.00 33.84 32.35 1jrq n VAL 356 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1jrq s MET 357 N -2.00 0.05 0.03 5.55 -2.45 -1.04 -0.38 119.30 119.06 1jrq s MET 357 Ca 0.00 0.39 -0.16 0.00 -1.25 0.00 0.00 55.69 54.66 1jrq s MET 357 Cb 0.00 -0.22 -0.34 0.00 1.25 0.00 0.00 34.83 35.52 1jrq s MET 357 CO 0.00 -0.20 1.02 -0.92 1.05 0.00 0.00 175.02 175.97 1jrq h TYR 358 N 7.53 0.97 -2.41 4.11 3.20 -1.36 0.17 116.97 129.19 1jrq h TYR 358 Ca -0.36 -0.68 -0.07 0.00 3.14 0.00 0.00 58.73 60.76 1jrq h TYR 358 Cb 1.13 -0.05 -0.24 0.00 1.54 0.00 0.00 36.73 39.11 1jrq h TYR 358 CO 0.44 1.53 -0.16 -2.00 -1.64 0.00 0.00 178.16 176.33 1jrq s GLU 359 N -2.69 0.54 -0.00 1.82 2.12 -1.23 -0.84 118.70 118.43 1jrq s GLU 359 Ca -0.09 0.92 -0.00 0.00 0.36 0.00 0.00 54.97 56.15 1jrq s GLU 359 Cb 0.04 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.52 1jrq s GLU 359 CO 0.94 -0.14 0.01 0.20 -0.54 0.00 0.00 175.26 175.72 1jrq s GLY 360 N 1.25 0.00 0.09 -1.50 0.00 0.63 -0.25 107.32 107.54 1jrq s GLY 360 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 44.72 44.39 1jrq s GLY 360 CO -0.12 0.00 1.15 -1.35 0.00 0.00 0.00 173.10 172.77 1jrq s SER 361 N -0.03 -0.03 0.38 1.64 1.04 -1.00 -0.73 113.70 114.97 1jrq s SER 361 Ca -0.00 -0.40 -0.26 0.00 0.48 0.00 0.00 55.95 55.76 1jrq s SER 361 Cb -0.00 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.36 1jrq s SER 361 CO -0.00 -0.65 1.22 -0.22 0.98 0.00 0.00 173.24 174.57 1jrq s LEU 362 N -3.37 4.28 -0.15 2.42 2.96 -1.26 -1.84 118.68 121.72 1jrq s LEU 362 Ca 0.21 2.47 -0.12 0.00 -0.22 0.00 0.00 54.13 56.47 1jrq s LEU 362 Cb -0.00 -3.89 -0.08 0.00 0.50 0.00 0.00 46.19 42.72 1jrq s LEU 362 CO 0.01 -0.64 0.03 1.23 -1.32 0.00 0.00 176.35 175.67 1jrq h GLY 363 N 2.90 0.00 0.00 7.98 0.00 0.58 -3.42 103.07 111.11 1jrq h GLY 363 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1jrq h GLY 363 CO 0.63 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.78 1jrq n GLY 364 N 1.60 0.15 3.35 4.60 0.00 -0.95 -4.35 105.19 109.60 1jrq n GLY 364 Ca -0.12 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1jrq n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jrq s MET 365 N -2.00 1.15 -0.10 1.61 0.23 -1.26 -0.75 119.30 118.17 1jrq s MET 365 Ca 0.00 -1.05 -0.10 0.00 -1.03 0.00 0.00 55.69 53.51 1jrq s MET 365 Cb 0.00 0.41 0.03 0.00 -1.53 0.00 0.00 34.83 33.73 1jrq s MET 365 CO 0.00 -0.43 0.29 -1.50 -2.03 0.00 0.00 175.02 171.35 1jrq s ILE 366 N -3.92 0.00 -0.45 3.16 2.07 -0.07 -3.76 121.20 118.23 1jrq s ILE 366 Ca 0.13 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.36 1jrq s ILE 366 Cb 0.03 -0.42 0.14 0.00 0.13 0.00 0.00 42.46 42.33 1jrq s ILE 366 CO -0.03 -0.02 0.25 -0.69 -1.91 0.00 0.00 174.94 172.54 1jrq s VAL 367 N 0.07 1.45 0.06 4.00 1.01 -0.70 -0.08 120.40 126.22 1jrq s VAL 367 Ca -0.01 -2.61 -0.12 0.00 0.00 0.00 0.00 61.98 59.24 1jrq s VAL 367 Cb -0.02 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 1jrq s VAL 367 CO 0.01 -0.90 0.42 -2.16 0.00 0.00 0.00 175.10 172.47 1jrq s PRO 368 N 0.29 3.83 0.32 2.72 0.04 -1.23 -1.48 135.00 139.49 1jrq s PRO 368 Ca 0.18 0.28 0.04 0.00 0.04 0.00 0.00 61.00 61.54 1jrq s PRO 368 Cb -0.23 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1jrq s PRO 368 CO -0.00 0.59 0.47 -0.06 0.04 0.00 0.00 177.00 178.04 1jrq s PHE 369 N -1.31 3.32 -0.15 0.56 0.40 -0.88 -2.04 117.98 117.88 1jrq s PHE 369 Ca 0.31 0.01 0.17 0.00 -0.60 0.00 0.00 56.93 56.82 1jrq s PHE 369 Cb -0.15 -1.87 0.32 0.00 0.51 0.00 0.00 43.02 41.84 1jrq s PHE 369 CO 0.17 0.13 1.17 0.41 0.70 0.00 0.00 175.22 177.80 1jrq n GLY 370 N -1.64 4.92 3.70 4.36 0.00 -1.02 -4.96 105.19 110.54 1jrq n GLY 370 Ca -0.04 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1jrq n GLY 370 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jrq s ASP 371 N -2.92 6.06 0.00 1.61 -1.08 -1.26 -4.96 116.67 114.12 1jrq s ASP 371 Ca 0.33 0.18 0.30 0.00 -0.52 0.00 0.00 52.55 52.84 1jrq s ASP 371 Cb 0.30 -2.06 1.36 0.00 -1.46 0.00 0.00 42.92 41.05 1jrq s ASP 371 CO 0.01 0.17 1.98 -0.81 0.52 0.00 0.00 175.17 177.04 1jrq n PRO 372 N 3.59 0.22 -0.64 4.34 -0.04 -1.26 -2.18 135.00 139.04 1jrq n PRO 372 Ca -0.16 -0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 1jrq n PRO 372 Cb 0.52 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.69 1jrq n PRO 372 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jrq s ASP 373 N -2.78 1.92 0.29 3.54 1.01 -1.26 -4.25 116.67 115.14 1jrq s ASP 373 Ca 0.21 1.82 0.03 0.00 0.71 0.00 0.00 52.55 55.32 1jrq s ASP 373 Cb 0.20 -2.42 0.65 0.00 1.01 0.00 0.00 42.92 42.35 1jrq s ASP 373 CO 0.50 -3.66 1.78 0.16 0.21 0.00 0.00 175.17 174.16 1jrq h ILE 374 N -2.25 0.75 -0.23 0.77 3.07 -1.97 0.25 117.51 117.90 1jrq h ILE 374 Ca -0.53 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.62 1jrq h ILE 374 Cb 1.30 -0.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 1jrq h ILE 374 CO 0.47 0.14 0.00 0.61 -1.05 0.00 0.00 178.15 178.32 1jrq n GLY 375 N -1.33 0.11 0.00 0.16 0.00 -1.26 -4.42 105.19 98.45 1jrq n GLY 375 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jrq n GLY 375 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jrq n TRP 376 N 0.17 0.00 -0.35 1.61 7.02 -0.16 -4.81 117.44 120.92 1jrq n TRP 376 Ca 0.08 0.00 0.27 0.00 -1.02 0.00 0.00 57.50 56.83 1jrq n TRP 376 Cb 0.20 0.00 0.52 0.00 -2.42 0.00 0.00 31.31 29.61 1jrq n TRP 376 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 1jrq h TYR 377 N 0.00 0.81 0.00 -5.99 -0.00 -0.53 0.72 116.97 111.98 1jrq h TYR 377 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.76 1jrq h TYR 377 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 36.73 36.60 1jrq h TYR 377 CO 0.00 -0.17 -0.58 1.97 -0.00 0.00 0.00 178.16 179.38 1jrq n PHE 378 N -4.94 0.02 -1.69 0.10 -1.74 -1.26 -4.94 117.46 103.01 1jrq n PHE 378 Ca 0.33 0.01 -0.43 0.00 -0.56 0.00 0.00 57.45 56.79 1jrq n PHE 378 Cb 1.08 -0.23 -0.03 0.00 1.52 0.00 0.00 39.48 41.82 1jrq n PHE 378 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1jrq s LYS 379 N -3.01 3.62 -0.28 3.97 1.02 0.24 -4.73 119.74 120.58 1jrq s LYS 379 Ca 0.10 2.23 -0.00 0.00 0.02 0.00 0.00 55.97 58.32 1jrq s LYS 379 Cb 0.17 -4.25 0.17 0.00 -0.52 0.00 0.00 37.83 33.40 1jrq s LYS 379 CO 0.72 -1.54 0.51 0.00 -0.92 0.00 0.00 175.35 174.12 1jrq s ALA 380 N 6.37 -1.82 -0.20 5.17 0.00 -1.26 -2.07 121.76 127.96 1jrq s ALA 380 Ca 0.92 1.26 -0.20 0.00 0.00 0.00 0.00 51.96 53.94 1jrq s ALA 380 Cb -0.36 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 1jrq s ALA 380 CO 0.37 -1.44 0.61 0.71 0.00 0.00 0.00 175.76 176.01 1jrq s TYR 381 N 2.73 3.38 -0.95 0.00 1.51 -0.55 -4.84 117.35 118.63 1jrq s TYR 381 Ca 0.16 0.90 -0.07 0.00 -1.01 0.00 0.00 57.07 57.05 1jrq s TYR 381 Cb -0.14 -2.77 0.24 0.00 -0.11 0.00 0.00 41.96 39.17 1jrq s TYR 381 CO -0.21 -0.15 0.89 -0.51 -1.11 0.00 0.00 175.55 174.45 1jrq s LEU 382 N 1.83 6.04 0.12 -1.29 1.02 -1.26 -1.72 118.68 123.43 1jrq s LEU 382 Ca 0.28 -3.44 -0.26 0.00 0.02 0.00 0.00 54.13 50.73 1jrq s LEU 382 Cb -0.16 -2.08 -0.07 0.00 0.02 0.00 0.00 46.19 43.91 1jrq s LEU 382 CO 0.10 -0.30 1.44 0.44 0.02 0.00 0.00 176.35 178.05 1jrq h ASP 383 N 6.64 -1.65 0.02 2.29 3.32 -1.93 0.28 116.42 125.38 1jrq h ASP 383 Ca 0.14 0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1jrq h ASP 383 Cb 0.89 0.71 0.00 0.00 0.22 0.00 0.00 39.33 41.15 1jrq h ASP 383 CO 0.89 -0.24 -0.01 0.77 -1.72 0.00 0.00 179.24 178.93 1jrq h SER 384 N -0.13 -0.02 0.15 6.45 4.64 -1.82 -1.21 113.55 121.61 1jrq h SER 384 Ca 0.10 -0.48 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 1jrq h SER 384 Cb 0.39 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1jrq h SER 384 CO -0.65 0.47 -0.08 1.23 -0.87 0.00 0.00 176.83 176.94 1jrq h GLY 385 N -0.52 -0.22 1.33 -0.77 0.00 -1.81 0.06 103.07 101.14 1jrq h GLY 385 Ca -0.00 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1jrq h GLY 385 CO 0.00 -0.08 -0.78 -0.55 0.00 0.00 0.00 176.54 175.13 1jrq h ASP 386 N -0.21 0.00 0.00 0.19 3.32 -0.59 -3.41 116.42 115.72 1jrq h ASP 386 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jrq h ASP 386 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1jrq h ASP 386 CO 0.03 0.14 -0.32 -1.22 -1.72 0.00 0.00 179.24 176.14 1jrq n TYR 387 N -2.86 0.00 -1.92 4.55 4.02 -0.48 -0.91 117.16 119.55 1jrq n TYR 387 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.87 1jrq n TYR 387 Cb 0.61 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.93 1jrq n TYR 387 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jrq n GLY 388 N 1.45 -2.20 0.27 2.72 0.00 0.01 -4.76 105.19 102.67 1jrq n GLY 388 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1jrq n GLY 388 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1jrq h MET 389 N 0.84 0.60 -0.13 1.61 2.86 -1.48 -2.01 114.93 117.22 1jrq h MET 389 Ca 0.00 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1jrq h MET 389 Cb 0.15 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1jrq h MET 389 CO 0.05 0.68 0.07 0.78 1.06 0.00 0.00 176.91 179.55 1jrq h GLY 390 N 0.94 0.20 0.90 8.32 0.00 -0.99 -1.72 103.07 110.71 1jrq h GLY 390 Ca 0.10 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.39 1jrq h GLY 390 CO 0.03 0.09 0.61 -0.84 0.00 0.00 0.00 176.54 176.43 1jrq h THR 391 N 0.11 1.12 -0.21 4.70 2.02 -1.01 -1.60 112.91 118.05 1jrq h THR 391 Ca 0.05 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1jrq h THR 391 Cb 0.08 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 1jrq h THR 391 CO -0.01 0.21 0.00 0.18 0.37 0.00 0.00 175.52 176.27 1jrq n LEU 392 N -4.46 2.59 -4.65 2.58 4.77 -0.77 -4.95 117.00 112.11 1jrq n LEU 392 Ca 0.13 -1.31 -0.44 0.00 -0.03 0.00 0.00 56.01 54.37 1jrq n LEU 392 Cb 0.14 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1jrq n LEU 392 CO 0.34 0.38 0.78 0.41 -1.33 0.00 0.00 177.39 177.97 1jrq n THR 393 N 0.22 1.90 -3.66 -5.08 -1.04 -0.60 -2.42 114.28 103.61 1jrq n THR 393 Ca 0.10 -0.48 -0.38 0.00 -2.04 0.00 0.00 64.05 61.25 1jrq n THR 393 Cb 0.56 -1.33 -0.12 0.00 -1.82 0.00 0.00 70.33 67.63 1jrq n THR 393 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1jrq s SER 394 N -0.36 5.56 0.18 8.00 0.01 0.65 -4.83 113.70 122.92 1jrq s SER 394 Ca 0.58 -0.39 -0.33 0.00 1.31 0.00 0.00 55.95 57.11 1jrq s SER 394 Cb -0.63 -2.01 -0.14 0.00 0.21 0.00 0.00 66.02 63.44 1jrq s SER 394 CO 0.60 -0.15 1.44 -2.65 0.41 0.00 0.00 173.24 172.89 1jrq n PRO 395 N 4.99 1.87 -1.78 12.44 -0.02 -1.26 -4.53 135.00 146.71 1jrq n PRO 395 Ca -0.14 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1jrq n PRO 395 Cb 0.50 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1jrq n PRO 395 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jrq s ILE 396 N 0.38 2.11 -0.52 4.25 -1.09 0.45 -4.93 121.20 121.85 1jrq s ILE 396 Ca 0.75 0.09 -0.21 0.00 -2.23 0.00 0.00 60.65 59.05 1jrq s ILE 396 Cb -0.72 -3.06 0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1jrq s ILE 396 CO 0.45 0.01 0.73 0.00 -1.23 0.00 0.00 174.94 174.90 1jrq s ALA 397 N 0.51 3.31 -0.02 9.38 0.00 -1.26 -4.93 121.76 128.75 1jrq s ALA 397 Ca 0.68 -1.58 -0.39 0.00 0.00 0.00 0.00 51.96 50.67 1jrq s ALA 397 Cb -0.48 -3.48 -0.18 0.00 0.00 0.00 0.00 23.12 18.98 1jrq s ALA 397 CO 0.41 -2.13 1.29 -2.13 0.00 0.00 0.00 175.76 173.20 1jrq n ARG 398 N 6.59 0.64 -0.09 0.00 0.63 -1.26 -0.57 116.66 122.60 1jrq n ARG 398 Ca -0.04 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1jrq n ARG 398 Cb 0.46 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.56 1jrq n ARG 398 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1jrq n GLY 399 N 2.40 2.27 0.95 5.14 0.00 -1.02 -4.71 105.19 110.22 1jrq n GLY 399 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 1jrq n GLY 399 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrq n LYS 400 N -2.00 0.04 0.23 1.61 5.02 -0.43 -4.52 118.16 118.11 1jrq n LYS 400 Ca 0.00 0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.45 1jrq n LYS 400 Cb 0.00 -0.57 0.40 0.00 -0.02 0.00 0.00 35.03 34.84 1jrq n LYS 400 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1jrq h ASP 401 N -0.08 0.00 -5.07 4.39 3.32 -1.12 -3.45 116.42 114.42 1jrq h ASP 401 Ca -0.03 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 1jrq h ASP 401 Cb 0.59 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.97 1jrq h ASP 401 CO -0.02 0.00 -0.35 0.00 -1.72 0.00 0.00 179.24 177.15 1jrq s ALA 402 N -3.38 -0.45 0.83 3.45 0.00 -1.26 -4.95 121.76 116.01 1jrq s ALA 402 Ca 0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.67 1jrq s ALA 402 Cb 0.07 0.30 0.10 0.00 0.00 0.00 0.00 23.12 23.59 1jrq s ALA 402 CO 0.60 -0.38 1.18 -1.25 0.00 0.00 0.00 175.76 175.91 1jrq s PRO 403 N -2.62 1.53 0.29 0.00 0.04 -1.26 -2.42 135.00 130.55 1jrq s PRO 403 Ca -0.05 1.67 0.20 0.00 0.04 0.00 0.00 61.00 62.87 1jrq s PRO 403 Cb -0.01 -1.77 1.06 0.00 0.04 0.00 0.00 34.50 33.82 1jrq s PRO 403 CO -0.04 -2.28 1.61 -1.13 0.04 0.00 0.00 177.00 175.20 1jrq n SER 404 N -3.52 0.52 -1.70 6.66 3.41 -1.26 -1.58 113.62 116.15 1jrq n SER 404 Ca 0.13 0.73 0.08 0.00 -0.26 0.00 0.00 58.87 59.55 1jrq n SER 404 Cb 0.51 -0.80 0.37 0.00 -0.26 0.00 0.00 64.21 64.03 1jrq n SER 404 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1jrq n ASN 405 N -2.19 5.10 -4.90 4.04 6.94 -1.24 -4.89 115.26 118.12 1jrq n ASN 405 Ca -0.01 -2.65 -0.28 0.00 -0.02 0.00 0.00 54.58 51.62 1jrq n ASN 405 Cb 0.05 -0.63 0.03 0.00 -2.36 0.00 0.00 39.78 36.87 1jrq n ASN 405 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jrq s ALA 406 N -2.24 3.21 -0.18 -2.53 0.00 -0.61 -4.66 121.76 114.75 1jrq s ALA 406 Ca 0.51 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1jrq s ALA 406 Cb 0.36 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.74 1jrq s ALA 406 CO 0.20 -0.79 -0.16 0.08 0.00 0.00 0.00 175.76 175.09 1jrq s VAL 407 N -3.05 2.45 -0.24 0.00 1.01 -0.12 -4.29 120.40 116.15 1jrq s VAL 407 Ca 0.54 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.61 1jrq s VAL 407 Cb -0.11 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1jrq s VAL 407 CO 0.48 0.51 0.10 -0.76 0.00 0.00 0.00 175.10 175.43 1jrq s LEU 408 N 1.17 3.69 0.16 3.92 1.43 -1.26 -0.80 118.68 126.99 1jrq s LEU 408 Ca 0.02 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1jrq s LEU 408 Cb -0.14 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.03 1jrq s LEU 408 CO -0.07 0.01 0.42 -0.76 0.23 0.00 0.00 176.35 176.18 1jrq s LEU 409 N 1.37 4.25 0.00 1.79 1.43 0.13 -4.73 118.68 122.92 1jrq s LEU 409 Ca 0.06 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1jrq s LEU 409 Cb -0.15 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1jrq s LEU 409 CO 0.05 0.03 0.15 0.20 0.23 0.00 0.00 176.35 177.01 1jrq s ASN 410 N -2.39 6.12 0.02 2.29 0.01 -1.26 0.12 114.94 119.85 1jrq s ASN 410 Ca 0.42 0.26 0.03 0.00 -0.71 0.00 0.00 52.86 52.87 1jrq s ASN 410 Cb -0.12 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 1jrq s ASN 410 CO 0.23 0.25 -0.10 -1.61 -1.51 0.00 0.00 177.10 174.37 1jrq s GLU 411 N -1.95 0.71 -0.08 -0.60 0.41 -0.71 -4.90 118.70 111.57 1jrq s GLU 411 Ca 0.27 -0.58 0.03 0.00 -0.41 0.00 0.00 54.97 54.27 1jrq s GLU 411 Cb -0.12 -0.65 -0.02 0.00 -1.78 0.00 0.00 34.13 31.56 1jrq s GLU 411 CO 0.18 0.16 -0.15 0.99 -0.49 0.00 0.00 175.26 175.95 1jrq s THR 412 N -0.74 2.94 0.24 3.63 2.01 -1.26 0.01 115.64 122.46 1jrq s THR 412 Ca -0.01 -0.74 0.06 0.00 0.31 0.00 0.00 61.69 61.31 1jrq s THR 412 Cb -0.07 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1jrq s THR 412 CO 0.01 0.56 0.21 2.30 -0.69 0.00 0.00 174.62 177.01 1jrq n ILE 413 N 2.83 0.00 -4.19 1.82 -5.35 -0.54 -4.88 119.36 109.05 1jrq n ILE 413 Ca -0.18 -1.78 -0.35 0.00 -0.27 0.00 0.00 62.75 60.17 1jrq n ILE 413 Cb 0.52 0.89 -0.09 0.00 -1.74 0.00 0.00 39.64 39.23 1jrq n ILE 413 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jrq s ALA 414 N -2.99 3.41 0.93 -1.28 0.00 -1.26 -0.15 121.76 120.42 1jrq s ALA 414 Ca 0.29 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 1jrq s ALA 414 Cb 0.01 -1.69 0.19 0.00 0.00 0.00 0.00 23.12 21.64 1jrq s ALA 414 CO 0.21 0.47 1.28 0.16 0.00 0.00 0.00 175.76 177.88 1jrq s ASP 415 N -0.51 3.25 0.42 0.00 1.47 -0.35 -4.88 116.67 116.07 1jrq s ASP 415 Ca 0.10 0.16 0.29 0.00 1.18 0.00 0.00 52.55 54.28 1jrq s ASP 415 Cb -0.12 -0.24 1.49 0.00 -0.34 0.00 0.00 42.92 43.72 1jrq s ASP 415 CO 0.02 -2.64 1.88 0.10 0.68 0.00 0.00 175.17 175.21 1jrq h TYR 416 N -1.50 0.00 -0.36 2.11 -0.00 -1.89 -1.73 116.97 113.59 1jrq h TYR 416 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 1jrq h TYR 416 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 1jrq h TYR 416 CO -1.06 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 177.35 1jrq n THR 417 N -2.52 0.46 -0.73 -0.90 -2.24 -1.26 0.10 114.28 107.18 1jrq n THR 417 Ca -0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1jrq n THR 417 Cb 0.09 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1jrq n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrq n GLY 418 N 1.41 0.74 3.74 3.38 0.00 -0.65 -4.90 105.19 108.91 1jrq n GLY 418 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1jrq n GLY 418 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jrq s VAL 419 N -2.65 5.16 0.46 1.61 1.01 -1.26 -4.54 120.40 120.19 1jrq s VAL 419 Ca 0.00 0.89 -0.23 0.00 0.00 0.00 0.00 61.98 62.64 1jrq s VAL 419 Cb 0.00 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1jrq s VAL 419 CO 0.00 0.38 1.07 -2.65 0.00 0.00 0.00 175.10 173.91 1jrq n PRO 420 N 3.30 1.42 -3.75 2.72 -0.02 -1.26 -1.21 135.00 136.19 1jrq n PRO 420 Ca -0.09 0.51 -0.19 0.00 -2.02 0.00 0.00 63.50 61.72 1jrq n PRO 420 Cb 0.52 -2.16 -0.17 0.00 -0.02 0.00 0.00 33.50 31.66 1jrq n PRO 420 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1jrq s MET 421 N -2.22 0.08 -0.26 -0.52 1.75 0.79 -4.78 119.30 114.13 1jrq s MET 421 Ca 0.65 0.25 -0.14 0.00 -1.25 0.00 0.00 55.69 55.21 1jrq s MET 421 Cb -0.51 -0.50 -0.04 0.00 2.84 0.00 0.00 34.83 36.62 1jrq s MET 421 CO 0.55 -0.25 0.31 -2.00 -0.65 0.00 0.00 175.02 172.98 1jrq s GLU 422 N 1.68 4.02 -0.30 4.11 2.12 -1.26 -1.47 118.70 127.60 1jrq s GLU 422 Ca -0.01 -0.07 -0.15 0.00 0.36 0.00 0.00 54.97 55.10 1jrq s GLU 422 Cb -0.13 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 1jrq s GLU 422 CO -0.03 -0.21 0.38 0.42 -0.54 0.00 0.00 175.26 175.28 1jrq s ILE 423 N 1.85 5.16 0.33 -3.70 1.01 0.10 -4.94 121.20 121.00 1jrq s ILE 423 Ca 0.13 0.37 -0.27 0.00 0.00 0.00 0.00 60.65 60.87 1jrq s ILE 423 Cb -0.16 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 1jrq s ILE 423 CO 0.10 0.04 1.04 -2.16 0.00 0.00 0.00 174.94 173.96 1jrq s PRO 424 N 2.08 4.48 -1.57 2.79 0.04 -1.26 -1.74 135.00 139.81 1jrq s PRO 424 Ca 0.14 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 1jrq s PRO 424 Cb -0.16 -2.90 0.09 0.00 0.04 0.00 0.00 34.50 31.57 1jrq s PRO 424 CO 0.11 0.12 0.67 0.54 0.04 0.00 0.00 177.00 178.48 1jrq n ARG 425 N 0.65 -3.49 -0.04 4.56 1.74 -1.20 -4.36 116.66 114.53 1jrq n ARG 425 Ca 0.02 0.41 -0.04 0.00 -0.77 0.00 0.00 57.85 57.46 1jrq n ARG 425 Cb 0.48 -4.92 0.18 0.00 -1.02 0.00 0.00 32.46 27.17 1jrq n ARG 425 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jrq h ALA 426 N 0.89 1.09 -3.55 7.54 0.00 -0.38 0.13 119.26 124.98 1jrq h ALA 426 Ca -0.61 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 53.79 1jrq h ALA 426 Cb 1.38 -0.15 -0.27 0.00 0.00 0.00 0.00 17.79 18.75 1jrq h ALA 426 CO 0.71 0.56 -0.65 0.42 0.00 0.00 0.00 179.25 180.29 1jrq s ILE 427 N -4.72 0.01 -0.10 0.00 1.01 -1.05 -4.45 121.20 111.89 1jrq s ILE 427 Ca -0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1jrq s ILE 427 Cb 0.14 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.47 1jrq s ILE 427 CO 0.80 -0.02 0.02 0.00 0.00 0.00 0.00 174.94 175.73 1jrq s ALA 428 N -0.04 3.33 -0.10 9.38 0.00 0.11 0.17 121.76 134.60 1jrq s ALA 428 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1jrq s ALA 428 Cb -0.01 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1jrq s ALA 428 CO 0.00 0.53 -0.18 0.08 0.00 0.00 0.00 175.76 176.19 1jrq s VAL 429 N -0.70 1.65 -0.18 0.00 1.01 0.02 -0.49 120.40 121.70 1jrq s VAL 429 Ca 0.11 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 61.08 1jrq s VAL 429 Cb -0.12 -1.47 0.07 0.00 0.00 0.00 0.00 36.38 34.86 1jrq s VAL 429 CO 0.02 0.47 0.68 0.72 0.00 0.00 0.00 175.10 176.99 1jrq s PHE 430 N 0.76 -0.71 0.20 5.22 -0.71 -0.34 -0.95 117.98 121.45 1jrq s PHE 430 Ca -0.11 1.57 -0.09 0.00 -1.04 0.00 0.00 56.93 57.26 1jrq s PHE 430 Cb -0.16 0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 41.89 1jrq s PHE 430 CO 0.02 -0.45 0.51 -2.00 -1.34 0.00 0.00 175.22 171.96 1jrq s GLU 431 N -0.22 3.78 -0.02 1.99 2.12 -1.26 -0.20 118.70 124.89 1jrq s GLU 431 Ca -0.04 0.22 -0.11 0.00 0.36 0.00 0.00 54.97 55.40 1jrq s GLU 431 Cb -0.03 -2.72 0.02 0.00 0.26 0.00 0.00 34.13 31.65 1jrq s GLU 431 CO 0.04 0.37 0.24 -0.98 -0.54 0.00 0.00 175.26 174.39 1jrq s ARG 432 N -2.68 0.55 0.20 4.30 1.70 -0.03 -4.96 118.95 118.03 1jrq s ARG 432 Ca 0.45 -0.19 -0.30 0.00 -0.47 0.00 0.00 55.73 55.22 1jrq s ARG 432 Cb -0.12 0.24 -0.08 0.00 -0.57 0.00 0.00 34.95 34.42 1jrq s ARG 432 CO 0.21 -0.14 1.11 -0.47 -1.08 0.00 0.00 175.30 174.94 1jrq s TYR 433 N -1.13 3.58 -0.34 5.89 5.04 -1.26 -1.91 117.35 127.21 1jrq s TYR 433 Ca -0.12 1.61 0.16 0.00 -2.44 0.00 0.00 57.07 56.27 1jrq s TYR 433 Cb -0.06 -3.29 0.46 0.00 0.35 0.00 0.00 41.96 39.42 1jrq s TYR 433 CO 0.03 -0.64 1.00 0.00 -1.34 0.00 0.00 175.55 174.59 1jrq n ALA 434 N 2.10 3.72 -0.19 3.97 0.00 0.34 -4.93 120.51 125.52 1jrq n ALA 434 Ca 0.02 -3.36 0.01 0.00 0.00 0.00 0.00 53.44 50.11 1jrq n ALA 434 Cb 0.46 -0.84 -0.00 0.00 0.00 0.00 0.00 19.45 19.06 1jrq n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrq n GLY 435 N -0.19 -2.01 3.73 0.00 0.00 -1.26 -4.65 105.19 100.81 1jrq n GLY 435 Ca 0.15 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1jrq n GLY 435 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jrq s PRO 436 N -0.40 4.51 0.19 1.61 0.04 -1.26 -0.17 135.00 139.53 1jrq s PRO 436 Ca 0.00 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 1jrq s PRO 436 Cb 0.00 -3.29 0.11 0.00 0.04 0.00 0.00 34.50 31.36 1jrq s PRO 436 CO 0.00 -0.08 1.74 1.49 0.04 0.00 0.00 177.00 180.19 1jrq h GLU 437 N 5.70 1.04 -2.49 4.56 4.57 -0.72 -3.42 114.58 123.82 1jrq h GLU 437 Ca -0.43 -0.21 0.07 0.00 -1.18 0.00 0.00 59.36 57.61 1jrq h GLU 437 Cb 1.21 -0.16 -0.14 0.00 -0.16 0.00 0.00 28.75 29.50 1jrq h GLU 437 CO 0.76 0.88 0.40 1.52 -1.18 0.00 0.00 179.01 181.39 1jrq s TYR 438 N -5.48 -0.41 -0.06 0.92 -0.85 -1.25 -4.95 117.35 105.27 1jrq s TYR 438 Ca -0.13 0.27 -0.30 0.00 -0.52 0.00 0.00 57.07 56.40 1jrq s TYR 438 Cb 0.14 0.54 0.07 0.00 0.38 0.00 0.00 41.96 43.09 1jrq s TYR 438 CO 0.82 -0.64 0.66 0.21 -1.52 0.00 0.00 175.55 175.08 1jrq s LYS 439 N -3.25 1.02 -0.26 -3.49 2.20 -1.26 -2.46 119.74 112.24 1jrq s LYS 439 Ca 0.03 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 55.88 1jrq s LYS 439 Cb -0.01 0.48 0.15 0.00 -1.51 0.00 0.00 37.83 36.94 1jrq s LYS 439 CO -0.10 -0.31 0.49 -1.58 -0.36 0.00 0.00 175.35 173.49 1jrq s HIS 440 N -1.12 -1.15 -0.85 4.03 2.46 -0.16 -5.01 115.29 113.49 1jrq s HIS 440 Ca -0.11 1.37 -0.06 0.00 0.47 0.00 0.00 55.06 56.74 1jrq s HIS 440 Cb -0.01 0.32 0.21 0.00 -0.13 0.00 0.00 32.58 32.98 1jrq s HIS 440 CO 0.09 -0.74 0.75 -1.14 -2.47 0.00 0.00 174.74 171.22 1jrq s GLN 441 N 2.70 3.32 0.26 2.88 2.00 -1.26 -2.25 119.66 127.31 1jrq s GLN 441 Ca 0.12 -2.92 -0.30 0.00 -2.00 0.00 0.00 55.36 50.26 1jrq s GLN 441 Cb -0.15 -4.09 -0.10 0.00 0.80 0.00 0.00 33.01 29.47 1jrq s GLN 441 CO -0.18 -1.24 1.42 -2.00 -0.50 0.00 0.00 175.29 172.79 1jrq s GLU 442 N -0.72 4.28 0.19 1.67 2.56 -1.26 -4.89 118.70 120.53 1jrq s GLU 442 Ca 0.23 2.29 -0.33 0.00 0.00 0.00 0.00 54.97 57.16 1jrq s GLU 442 Cb -0.12 -3.10 -0.14 0.00 2.00 0.00 0.00 34.13 32.77 1jrq s GLU 442 CO -0.09 -0.38 1.45 -0.12 -0.56 0.00 0.00 175.26 175.56 1jrq n MET 443 N 2.09 1.94 -0.83 4.30 0.00 -1.26 -1.62 117.12 121.74 1jrq n MET 443 Ca 0.06 0.69 0.00 0.00 -0.00 0.00 0.00 57.70 58.45 1jrq n MET 443 Cb 0.41 -2.38 0.00 0.00 0.00 0.00 0.00 33.22 31.24 1jrq n MET 443 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jrq n GLY 444 N 2.68 0.45 3.68 -5.12 0.00 -1.26 -5.00 105.19 100.62 1jrq n GLY 444 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1jrq n GLY 444 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jrq s GLN 445 N -0.60 2.19 0.36 1.61 -1.52 -0.64 -5.09 119.66 115.97 1jrq s GLN 445 Ca 0.00 -1.74 -0.28 0.00 -1.95 0.00 0.00 55.36 51.39 1jrq s GLN 445 Cb 0.00 -1.99 -0.10 0.00 -0.22 0.00 0.00 33.01 30.69 1jrq s GLN 445 CO 0.00 0.06 1.41 -2.14 -0.25 0.00 0.00 175.29 174.36 1jrq s PRO 446 N -3.80 4.18 0.86 2.91 0.02 -1.26 -4.66 135.00 133.24 1jrq s PRO 446 Ca 0.37 2.41 -0.11 0.00 0.02 0.00 0.00 61.00 63.69 1jrq s PRO 446 Cb 0.01 -2.98 0.11 0.00 0.02 0.00 0.00 34.50 31.65 1jrq s PRO 446 CO 0.21 -0.41 1.10 1.21 -0.33 0.00 0.00 177.00 178.77 1jrq s ASN 447 N -0.32 3.70 -0.14 2.53 3.84 -1.26 -4.66 114.94 118.63 1jrq s ASN 447 Ca 0.52 1.73 -0.02 0.00 0.21 0.00 0.00 52.86 55.30 1jrq s ASN 447 Cb -0.43 -2.38 0.04 0.00 -0.55 0.00 0.00 41.25 37.93 1jrq s ASN 447 CO 0.58 -2.53 -0.00 -0.69 -2.79 0.00 0.00 177.10 171.67 1jrq s VAL 448 N -2.86 0.62 -0.05 -5.21 1.01 -0.95 -5.02 120.40 107.94 1jrq s VAL 448 Ca 0.63 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 1jrq s VAL 448 Cb -0.19 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1jrq s VAL 448 CO 0.57 0.08 0.32 -0.44 0.00 0.00 0.00 175.10 175.63 1jrq s SER 449 N 1.85 -0.25 0.04 3.32 0.01 -1.26 -0.98 113.70 116.42 1jrq s SER 449 Ca 0.02 0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.58 1jrq s SER 449 Cb -0.15 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 1jrq s SER 449 CO -0.07 -0.34 -0.05 0.42 0.41 0.00 0.00 173.24 173.61 1jrq s THR 450 N -0.83 0.28 0.25 1.44 -4.23 -1.03 -5.03 115.64 106.49 1jrq s THR 450 Ca -0.09 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.19 1jrq s THR 450 Cb -0.04 -0.61 -0.07 0.00 1.34 0.00 0.00 72.50 73.12 1jrq s THR 450 CO 0.03 -0.56 0.57 -1.83 -0.54 0.00 0.00 174.62 172.29 1jrq s GLU 451 N -1.96 3.79 -0.13 3.99 -1.05 -1.26 -0.16 118.70 121.91 1jrq s GLU 451 Ca -0.10 0.27 -0.09 0.00 -0.15 0.00 0.00 54.97 54.90 1jrq s GLU 451 Cb -0.07 -2.63 -0.04 0.00 -0.44 0.00 0.00 34.13 30.95 1jrq s GLU 451 CO -0.02 0.28 0.18 0.50 0.95 0.00 0.00 175.26 177.15 1jrq s ARG 452 N -2.95 3.72 -0.01 -4.83 3.52 0.77 -4.21 118.95 114.96 1jrq s ARG 452 Ca 0.47 -0.08 0.07 0.00 -0.13 0.00 0.00 55.73 56.07 1jrq s ARG 452 Cb -0.11 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1jrq s ARG 452 CO 0.22 0.62 -0.23 1.03 -0.81 0.00 0.00 175.30 176.14 1jrq s ARG 453 N -0.60 1.80 0.02 5.12 1.81 -1.26 -0.50 118.95 125.33 1jrq s ARG 453 Ca 0.14 -0.83 0.05 0.00 -1.72 0.00 0.00 55.73 53.37 1jrq s ARG 453 Cb -0.12 -1.76 -0.02 0.00 -0.45 0.00 0.00 34.95 32.59 1jrq s ARG 453 CO 0.04 0.48 -0.15 -1.21 -0.68 0.00 0.00 175.30 173.77 1jrq s GLU 454 N -0.61 1.11 -0.26 3.54 2.02 -0.80 -3.06 118.70 120.64 1jrq s GLU 454 Ca 0.09 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.32 1jrq s GLU 454 Cb -0.09 -1.12 -0.01 0.00 0.10 0.00 0.00 34.13 33.01 1jrq s GLU 454 CO -0.01 0.29 0.06 -1.17 0.02 0.00 0.00 175.26 174.46 1jrq s LEU 455 N -0.81 3.53 -0.09 1.80 2.96 -0.44 -0.85 118.68 124.77 1jrq s LEU 455 Ca 0.04 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1jrq s LEU 455 Cb -0.07 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1jrq s LEU 455 CO 0.01 -0.10 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.23 1jrq s VAL 456 N 1.55 4.13 -0.27 1.68 1.01 0.72 -0.68 120.40 128.54 1jrq s VAL 456 Ca 0.05 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1jrq s VAL 456 Cb -0.16 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.55 1jrq s VAL 456 CO 0.02 0.60 -0.07 -0.69 0.00 0.00 0.00 175.10 174.95 1jrq s VAL 457 N -0.77 2.42 -0.11 2.92 1.01 0.17 -1.20 120.40 124.84 1jrq s VAL 457 Ca 0.12 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1jrq s VAL 457 Cb -0.11 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1jrq s VAL 457 CO 0.02 -0.06 -0.12 -0.60 0.00 0.00 0.00 175.10 174.34 1jrq s ARG 458 N 1.14 3.19 -0.02 2.72 3.52 0.35 -0.28 118.95 129.57 1jrq s ARG 458 Ca -0.07 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 1jrq s ARG 458 Cb -0.20 -2.61 0.01 0.00 -1.56 0.00 0.00 34.95 30.59 1jrq s ARG 458 CO -0.04 0.34 -0.04 -0.46 -0.81 0.00 0.00 175.30 174.29 1jrq s TRP 459 N 0.03 0.48 -0.04 5.12 -0.00 -0.38 -0.71 118.94 123.44 1jrq s TRP 459 Ca -0.04 -0.09 0.07 0.00 -0.00 0.00 0.00 56.10 56.04 1jrq s TRP 459 Cb -0.14 -0.40 -0.02 0.00 -0.00 0.00 0.00 33.47 32.91 1jrq s TRP 459 CO 0.04 -0.08 -0.25 0.42 -0.00 0.00 0.00 176.95 177.08 1jrq s ILE 460 N 0.41 2.13 -0.03 5.86 1.01 -1.26 -1.04 121.20 128.28 1jrq s ILE 460 Ca -0.04 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.57 1jrq s ILE 460 Cb -0.08 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.64 1jrq s ILE 460 CO -0.00 0.57 -0.06 -0.55 0.00 0.00 0.00 174.94 174.90 1jrq s SER 461 N -0.37 0.96 -0.12 3.58 0.15 -0.35 -0.25 113.70 117.29 1jrq s SER 461 Ca 0.03 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.57 1jrq s SER 461 Cb -0.12 -0.31 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 1jrq s SER 461 CO 0.02 0.02 -0.22 -0.89 1.20 0.00 0.00 173.24 173.36 1jrq s THR 462 N 0.41 2.00 -0.29 6.45 2.01 -1.01 -1.02 115.64 124.18 1jrq s THR 462 Ca -0.06 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.00 1jrq s THR 462 Cb -0.10 -1.75 0.08 0.00 0.01 0.00 0.00 72.50 70.74 1jrq s THR 462 CO 0.00 0.54 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 1jrq s VAL 463 N 0.57 2.00 0.00 3.82 1.01 -1.26 -4.83 120.40 121.71 1jrq s VAL 463 Ca -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1jrq s VAL 463 Cb -0.17 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1jrq s VAL 463 CO 0.04 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.41 1jrq n GLY 464 N 4.43 2.06 2.67 4.51 0.00 -1.26 -4.81 105.19 112.79 1jrq n GLY 464 Ca -0.05 0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1jrq n GLY 464 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jrq n ASN 465 N 11.05 7.07 -3.54 1.61 6.94 -1.26 -5.00 115.26 132.12 1jrq n ASN 465 Ca 0.00 -3.55 -0.00 0.00 -0.02 0.00 0.00 54.58 51.01 1jrq n ASN 465 Cb 0.00 -1.13 -0.06 0.00 -2.36 0.00 0.00 39.78 36.23 1jrq n ASN 465 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 1jrq s ASP 467 N -0.49 -0.45 -0.07 0.53 1.11 -0.07 -0.11 116.67 117.13 1jrq s ASP 467 Ca 0.55 0.68 0.05 0.00 0.18 0.00 0.00 52.55 54.00 1jrq s ASP 467 Cb 0.41 1.32 -0.02 0.00 1.07 0.00 0.00 42.92 45.71 1jrq s ASP 467 CO -0.30 -0.10 -0.21 -0.31 1.18 0.00 0.00 175.17 175.43 1jrq s TYR 468 N 1.70 2.56 -0.10 4.23 2.02 -0.19 -1.15 117.35 126.42 1jrq s TYR 468 Ca -0.06 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.09 1jrq s TYR 468 Cb -0.04 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1jrq s TYR 468 CO -0.15 -0.12 -0.16 0.42 -1.57 0.00 0.00 175.55 173.98 1jrq s ILE 469 N -0.23 2.87 -0.08 2.71 1.01 0.18 -1.21 121.20 126.45 1jrq s ILE 469 Ca -0.01 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1jrq s ILE 469 Cb -0.13 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.19 1jrq s ILE 469 CO 0.03 0.55 -0.16 -0.36 0.00 0.00 0.00 174.94 175.00 1jrq s PHE 470 N 0.01 1.82 -0.10 3.97 0.40 -0.21 0.51 117.98 124.38 1jrq s PHE 470 Ca -0.05 -0.71 0.04 0.00 -0.60 0.00 0.00 56.93 55.61 1jrq s PHE 470 Cb -0.14 -1.28 -0.00 0.00 0.51 0.00 0.00 43.02 42.10 1jrq s PHE 470 CO 0.04 -0.33 -0.23 -0.51 0.70 0.00 0.00 175.22 174.90 1jrq s ASP 471 N 0.56 3.15 -0.36 1.36 1.01 -0.18 -1.25 116.67 120.97 1jrq s ASP 471 Ca -0.16 -0.54 -0.06 0.00 0.71 0.00 0.00 52.55 52.51 1jrq s ASP 471 Cb -0.17 -1.37 0.06 0.00 1.01 0.00 0.00 42.92 42.46 1jrq s ASP 471 CO 0.05 0.17 0.14 0.26 0.21 0.00 0.00 175.17 176.00 1jrq s TRP 472 N 0.29 3.33 -0.32 4.23 0.52 0.61 -1.69 118.94 125.91 1jrq s TRP 472 Ca -0.17 -1.68 -0.09 0.00 0.02 0.00 0.00 56.10 54.18 1jrq s TRP 472 Cb -0.17 -2.55 0.00 0.00 -1.15 0.00 0.00 33.47 29.60 1jrq s TRP 472 CO 0.08 -0.81 0.14 0.42 0.02 0.00 0.00 176.95 176.81 1jrq s ILE 473 N 1.34 4.45 -0.37 2.03 1.01 0.42 -0.65 121.20 129.43 1jrq s ILE 473 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 1jrq s ILE 473 Cb -0.21 -3.31 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 1jrq s ILE 473 CO 0.01 0.02 0.35 -0.36 0.00 0.00 0.00 174.94 174.96 1jrq s PHE 474 N 1.58 3.21 0.13 3.97 0.40 0.15 0.63 117.98 128.04 1jrq s PHE 474 Ca 0.04 -0.19 -0.18 0.00 -0.60 0.00 0.00 56.93 56.00 1jrq s PHE 474 Cb -0.17 -2.68 -0.07 0.00 0.51 0.00 0.00 43.02 40.60 1jrq s PHE 474 CO 0.05 -0.50 0.60 -1.01 0.70 0.00 0.00 175.22 175.07 1jrq s HIS 475 N 1.96 3.71 0.40 0.36 3.76 0.49 -1.33 115.29 124.64 1jrq s HIS 475 Ca 0.10 1.24 0.10 0.00 -0.15 0.00 0.00 55.06 56.35 1jrq s HIS 475 Cb -0.17 -2.49 0.89 0.00 1.11 0.00 0.00 32.58 31.92 1jrq s HIS 475 CO 0.12 0.48 1.97 1.49 -0.85 0.00 0.00 174.74 177.95 1jrq h GLU 476 N 3.96 0.55 0.00 1.40 4.81 -1.83 -2.24 114.58 121.23 1jrq h GLU 476 Ca -0.49 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1jrq h GLU 476 Cb 1.20 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1jrq h GLU 476 CO 0.65 0.37 0.00 0.27 -0.73 0.00 0.00 179.01 179.56 1jrq n ASN 477 N -4.48 0.00 0.00 1.04 2.04 -1.26 -4.83 115.26 107.77 1jrq n ASN 477 Ca 0.10 -1.18 0.00 0.00 -0.44 0.00 0.00 54.58 53.06 1jrq n ASN 477 Cb 0.29 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.54 1jrq n ASN 477 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jrq n GLY 478 N 0.12 2.33 3.80 4.83 0.00 -0.84 -4.76 105.19 110.67 1jrq n GLY 478 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1jrq n GLY 478 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrq s THR 479 N -2.65 3.84 -0.08 2.61 2.01 -1.26 -4.46 115.64 115.65 1jrq s THR 479 Ca 0.00 1.09 0.02 0.00 0.31 0.00 0.00 61.69 63.11 1jrq s THR 479 Cb 0.00 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 69.07 1jrq s THR 479 CO 0.00 -0.30 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.89 1jrq s ILE 480 N -2.08 1.13 0.12 1.82 1.01 0.17 -0.38 121.20 123.00 1jrq s ILE 480 Ca 0.66 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.94 1jrq s ILE 480 Cb -0.16 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1jrq s ILE 480 CO 0.23 0.36 -0.07 -0.83 0.00 0.00 0.00 174.94 174.63 1jrq s GLY 481 N 0.94 1.79 -0.19 6.18 0.00 0.20 -0.61 107.32 115.64 1jrq s GLY 481 Ca -0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.32 1jrq s GLY 481 CO 0.00 -1.27 0.06 -0.42 0.00 0.00 0.00 173.10 171.48 1jrq s ILE 482 N -1.36 0.31 0.15 0.90 1.01 -0.77 -0.44 121.20 120.99 1jrq s ILE 482 Ca 0.23 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.53 1jrq s ILE 482 Cb -0.11 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1jrq s ILE 482 CO 0.15 -0.26 -0.19 -1.81 0.00 0.00 0.00 174.94 172.83 1jrq s ASP 483 N 1.95 3.79 -0.06 3.58 1.11 -0.68 -1.35 116.67 125.01 1jrq s ASP 483 Ca 0.01 -0.65 0.01 0.00 0.18 0.00 0.00 52.55 52.09 1jrq s ASP 483 Cb -0.17 -0.48 0.02 0.00 1.07 0.00 0.00 42.92 43.37 1jrq s ASP 483 CO -0.10 0.15 -0.06 0.00 1.18 0.00 0.00 175.17 176.35 1jrq s ALA 484 N -1.35 0.89 0.05 5.23 0.00 -0.81 -1.01 121.76 124.76 1jrq s ALA 484 Ca 0.19 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1jrq s ALA 484 Cb -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1jrq s ALA 484 CO 0.10 -0.11 -0.08 0.20 0.00 0.00 0.00 175.76 175.88 1jrq s GLY 485 N 1.12 1.77 -0.03 0.00 0.00 0.18 -1.57 107.32 108.80 1jrq s GLY 485 Ca -0.07 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 43.57 1jrq s GLY 485 CO -0.01 -1.04 -0.14 0.00 0.00 0.00 0.00 173.10 171.92 1jrq s ALA 486 N -1.10 1.25 0.08 3.20 0.00 0.37 -0.65 121.76 124.90 1jrq s ALA 486 Ca 0.19 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1jrq s ALA 486 Cb -0.11 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1jrq s ALA 486 CO 0.11 0.23 0.14 -2.37 0.00 0.00 0.00 175.76 173.87 1jrq n THR 487 N 3.13 0.00 0.00 0.00 5.66 -0.30 -1.04 114.28 121.73 1jrq n THR 487 Ca -0.18 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 1jrq n THR 487 Cb 0.54 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 1jrq n THR 487 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jrq n GLY 488 N -0.11 0.05 3.58 1.09 0.00 -1.25 -0.89 105.19 107.66 1jrq n GLY 488 Ca -0.01 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 1jrq n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrq s ILE 489 N 0.00 4.52 0.44 -0.61 -1.09 0.85 -1.68 121.20 123.63 1jrq s ILE 489 Ca 0.00 -0.13 -0.23 0.00 -2.23 0.00 0.00 60.65 58.06 1jrq s ILE 489 Cb 0.00 -3.04 -0.08 0.00 -1.58 0.00 0.00 42.46 37.77 1jrq s ILE 489 CO 0.00 0.45 1.14 -0.70 -1.23 0.00 0.00 174.94 174.60 1jrq s GLU 490 N 0.50 3.89 -0.30 2.79 2.12 -1.26 -4.74 118.70 121.70 1jrq s GLU 490 Ca 0.02 1.73 -0.29 0.00 0.36 0.00 0.00 54.97 56.78 1jrq s GLU 490 Cb -0.13 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.79 1jrq s GLU 490 CO 0.01 -0.43 1.21 0.00 -0.54 0.00 0.00 175.26 175.51 1jrq s ALA 491 N -1.55 3.43 0.23 6.30 0.00 -1.26 -4.92 121.76 123.99 1jrq s ALA 491 Ca 0.61 0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.72 1jrq s ALA 491 Cb -0.27 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.07 1jrq s ALA 491 CO 0.34 -1.63 -0.10 0.14 0.00 0.00 0.00 175.76 174.50 1jrq s VAL 492 N 4.03 3.03 -0.15 0.00 -7.23 -1.26 -3.60 120.40 115.21 1jrq s VAL 492 Ca 0.52 -1.96 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1jrq s VAL 492 Cb -0.15 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 1jrq s VAL 492 CO 0.20 -0.27 0.00 -0.75 -0.31 0.00 0.00 175.10 173.97 1jrq s LYS 493 N -3.25 3.69 0.14 4.82 2.20 0.29 -4.83 119.74 122.80 1jrq s LYS 493 Ca 0.28 -0.44 -0.30 0.00 -0.36 0.00 0.00 55.97 55.14 1jrq s LYS 493 Cb -0.07 -3.00 -0.07 0.00 -1.51 0.00 0.00 37.83 33.18 1jrq s LYS 493 CO 0.16 0.32 1.10 0.20 -0.36 0.00 0.00 175.35 176.77 1jrq s GLY 494 N 0.19 2.78 0.12 5.54 0.00 -1.26 -1.48 107.32 113.20 1jrq s GLY 494 Ca 0.01 0.78 -0.00 0.00 0.00 0.00 0.00 44.72 45.50 1jrq s GLY 494 CO 0.02 1.71 0.02 -1.34 0.00 0.00 0.00 173.10 173.50 1jrq s VAL 495 N 0.11 0.28 -0.07 1.40 -7.23 -0.31 -4.88 120.40 109.71 1jrq s VAL 495 Ca 0.51 -1.90 0.13 0.00 -1.81 0.00 0.00 61.98 58.91 1jrq s VAL 495 Cb -0.28 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.75 1jrq s VAL 495 CO 0.33 -0.63 1.42 0.11 -0.31 0.00 0.00 175.10 176.01 1jrq h LYS 496 N 2.91 0.00 -6.77 4.82 1.57 -1.93 -3.38 116.57 113.79 1jrq h LYS 496 Ca -0.35 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.92 1jrq h LYS 496 Cb 1.18 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.51 1jrq h LYS 496 CO 0.62 0.63 0.51 0.00 -0.57 0.00 0.00 179.45 180.64 1jrq s ALA 497 N -2.93 3.42 -0.16 3.86 0.00 -1.26 -4.76 121.76 119.93 1jrq s ALA 497 Ca 0.03 0.94 0.14 0.00 0.00 0.00 0.00 51.96 53.08 1jrq s ALA 497 Cb 0.08 -3.36 -0.24 0.00 0.00 0.00 0.00 23.12 19.60 1jrq s ALA 497 CO 0.76 -0.26 0.22 1.63 0.00 0.00 0.00 175.76 178.11 1jrq n LYS 498 N 1.53 0.67 -4.15 0.00 5.02 -1.26 -0.30 118.16 119.68 1jrq n LYS 498 Ca 0.00 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.28 1jrq n LYS 498 Cb 0.44 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.77 1jrq n LYS 498 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jrq s THR 499 N -2.52 0.00 -1.47 -0.18 -4.23 -1.26 -4.27 115.64 101.71 1jrq s THR 499 Ca -0.11 -1.84 0.17 0.00 -1.18 0.00 0.00 61.69 58.73 1jrq s THR 499 Cb 0.07 -2.42 0.31 0.00 1.34 0.00 0.00 72.50 71.79 1jrq s THR 499 CO 0.81 0.00 1.49 0.23 -0.54 0.00 0.00 174.62 176.61 1jrq n MET 500 N -0.31 0.26 0.00 3.99 2.81 -1.26 -2.15 117.12 120.46 1jrq n MET 500 Ca 0.01 0.12 0.12 0.00 -1.81 0.00 0.00 57.70 56.14 1jrq n MET 500 Cb 0.65 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.89 1jrq n MET 500 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1jrq n HIS 501 N -1.27 0.00 -1.89 2.03 8.25 -1.26 -4.80 115.22 116.29 1jrq n HIS 501 Ca 0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 1jrq n HIS 501 Cb 0.13 -0.22 0.02 0.00 1.12 0.00 0.00 29.99 31.04 1jrq n HIS 501 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1jrq s ASP 502 N -2.96 5.63 0.24 0.41 1.01 -0.91 -4.98 116.67 115.12 1jrq s ASP 502 Ca 0.12 1.76 -0.05 0.00 0.71 0.00 0.00 52.55 55.09 1jrq s ASP 502 Cb 0.18 -2.52 0.39 0.00 1.01 0.00 0.00 42.92 41.97 1jrq s ASP 502 CO 0.70 -1.27 1.80 1.05 0.21 0.00 0.00 175.17 177.66 1jrq h GLU 503 N 0.07 0.74 -0.01 8.23 4.11 -1.91 -2.33 114.58 123.47 1jrq h GLU 503 Ca -0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1jrq h GLU 503 Cb 1.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1jrq h GLU 503 CO 0.57 0.49 -0.02 0.25 0.07 0.00 0.00 179.01 180.36 1jrq n THR 504 N -4.76 0.00 -0.26 -1.06 -2.24 -1.26 -4.51 114.28 100.19 1jrq n THR 504 Ca 0.13 -0.18 -0.11 0.00 -2.27 0.00 0.00 64.05 61.62 1jrq n THR 504 Cb 0.28 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.69 1jrq n THR 504 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jrq h ALA 505 N 4.19 -0.56 -0.56 6.98 0.00 -1.69 0.14 119.26 127.77 1jrq h ALA 505 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1jrq h ALA 505 Cb 0.39 1.17 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 1jrq h ALA 505 CO 0.00 -0.95 -0.02 -0.22 0.00 0.00 0.00 179.25 178.05 1jrq h LYS 506 N -0.21 0.09 -0.24 0.00 3.11 -1.81 0.39 116.57 117.91 1jrq h LYS 506 Ca 0.14 -0.01 -0.20 0.00 -2.81 0.00 0.00 60.65 57.77 1jrq h LYS 506 Cb 0.53 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1jrq h LYS 506 CO -0.75 0.06 -0.63 -0.44 -2.81 0.00 0.00 179.45 174.88 1jrq h ASP 507 N 0.09 0.96 -0.15 4.20 3.32 -1.73 -2.88 116.42 120.22 1jrq h ASP 507 Ca 0.29 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1jrq h ASP 507 Cb 0.45 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1jrq h ASP 507 CO -0.49 1.36 0.07 0.44 -1.72 0.00 0.00 179.24 178.89 1jrq h ASP 508 N 0.62 0.24 -0.68 6.45 3.32 0.11 -2.61 116.42 123.88 1jrq h ASP 508 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1jrq h ASP 508 Cb 1.25 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1jrq h ASP 508 CO 0.14 0.24 0.00 0.35 -1.72 0.00 0.00 179.24 178.24 1jrq n THR 509 N -4.44 1.74 0.24 0.35 -2.24 0.05 -4.48 114.28 105.49 1jrq n THR 509 Ca -0.00 -1.17 0.07 0.00 -2.27 0.00 0.00 64.05 60.69 1jrq n THR 509 Cb 0.13 0.17 0.59 0.00 -2.10 0.00 0.00 70.33 69.12 1jrq n THR 509 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1jrq h ARG 510 N 4.21 0.00 -0.05 -0.78 2.43 -1.24 -2.90 114.38 116.05 1jrq h ARG 510 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jrq h ARG 510 Cb 1.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1jrq h ARG 510 CO 0.21 0.09 0.00 0.66 -1.51 0.00 0.00 179.97 179.42 1jrq n TYR 511 N -4.38 0.15 0.00 2.20 4.01 -1.26 -5.07 117.16 112.81 1jrq n TYR 511 Ca -0.03 -0.89 0.00 0.00 -0.16 0.00 0.00 57.90 56.82 1jrq n TYR 511 Cb 0.17 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1jrq n TYR 511 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jrq n GLY 512 N -1.11 0.63 3.84 2.72 0.00 -1.10 -0.71 105.19 109.47 1jrq n GLY 512 Ca 0.14 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1jrq n GLY 512 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrq s THR 513 N -2.00 4.73 -0.62 2.61 2.01 -1.15 -4.32 115.64 116.89 1jrq s THR 513 Ca 0.00 0.94 -0.25 0.00 0.31 0.00 0.00 61.69 62.69 1jrq s THR 513 Cb 0.00 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.84 1jrq s THR 513 CO 0.00 0.06 1.05 -0.22 -0.69 0.00 0.00 174.62 174.82 1jrq s LEU 514 N -2.40 3.89 0.00 4.42 2.96 -1.26 -0.38 118.68 125.91 1jrq s LEU 514 Ca 0.46 -0.48 0.24 0.00 -0.22 0.00 0.00 54.13 54.12 1jrq s LEU 514 Cb -0.13 -2.71 0.26 0.00 0.50 0.00 0.00 46.19 44.10 1jrq s LEU 514 CO 0.19 -1.45 1.26 2.30 -1.32 0.00 0.00 176.35 177.33 1jrq n ILE 515 N 6.23 0.00 -3.71 6.68 -5.35 -0.46 -4.78 119.36 117.96 1jrq n ILE 515 Ca 0.01 -0.25 -0.05 0.00 -0.27 0.00 0.00 62.75 62.20 1jrq n ILE 515 Cb 0.47 1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 39.38 1jrq n ILE 515 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1jrq s ASP 516 N -2.42 -0.24 0.19 7.28 -1.08 -1.12 -4.54 116.67 114.74 1jrq s ASP 516 Ca 0.22 -0.34 -0.32 0.00 -0.52 0.00 0.00 52.55 51.58 1jrq s ASP 516 Cb 0.19 0.51 -0.12 0.00 -1.46 0.00 0.00 42.92 42.04 1jrq s ASP 516 CO 0.52 -0.92 1.74 -1.00 0.52 0.00 0.00 175.17 176.03 1jrq s HIS 517 N -3.37 2.78 -1.81 -5.34 3.76 -1.26 -1.51 115.29 108.54 1jrq s HIS 517 Ca 0.10 0.29 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 1jrq s HIS 517 Cb -0.02 -4.14 0.00 0.00 1.11 0.00 0.00 32.58 29.53 1jrq s HIS 517 CO 0.00 -4.39 0.00 0.09 -0.85 0.00 0.00 174.74 169.59 1jrq n ASN 518 N 4.27 -5.57 -3.88 1.40 4.13 0.58 -4.95 115.26 111.25 1jrq n ASN 518 Ca 0.16 0.42 -0.24 0.00 1.68 0.00 0.00 54.58 56.60 1jrq n ASN 518 Cb 0.36 -4.60 -0.17 0.00 -1.54 0.00 0.00 39.78 33.83 1jrq n ASN 518 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1jrq s ILE 519 N -2.44 0.78 -0.10 2.41 1.01 -0.57 -1.16 121.20 121.12 1jrq s ILE 519 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1jrq s ILE 519 Cb 0.00 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 1jrq s ILE 519 CO 0.00 0.31 -0.18 -0.69 0.00 0.00 0.00 174.94 174.39 1jrq s VAL 520 N 1.54 2.65 -0.72 2.92 1.01 -0.55 -1.36 120.40 125.88 1jrq s VAL 520 Ca 0.00 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 1jrq s VAL 520 Cb -0.13 -2.06 0.08 0.00 0.00 0.00 0.00 36.38 34.27 1jrq s VAL 520 CO -0.05 0.55 1.03 -0.83 0.00 0.00 0.00 175.10 175.80 1jrq s GLY 521 N 0.14 1.43 0.07 4.51 0.00 0.49 -0.54 107.32 113.41 1jrq s GLY 521 Ca -0.09 -1.98 -0.33 0.00 0.00 0.00 0.00 44.72 42.32 1jrq s GLY 521 CO 0.06 2.11 1.76 2.41 0.00 0.00 0.00 173.10 179.44 1jrq n THR 522 N 5.92 0.30 -1.71 0.90 -1.04 -1.24 -2.95 114.28 114.47 1jrq n THR 522 Ca 0.02 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.58 1jrq n THR 522 Cb 0.46 -1.83 0.02 0.00 -1.82 0.00 0.00 70.33 67.17 1jrq n THR 522 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1jrq n THR 523 N 4.38 2.99 -3.83 12.58 -1.04 0.11 -4.91 114.28 124.55 1jrq n THR 523 Ca 0.19 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.63 1jrq n THR 523 Cb 0.32 -1.59 0.02 0.00 -1.82 0.00 0.00 70.33 67.26 1jrq n THR 523 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1jrq s HIS 524 N -1.25 0.10 0.25 -1.42 -3.43 -1.16 -2.44 115.29 105.95 1jrq s HIS 524 Ca 0.65 -0.69 0.06 0.00 -0.80 0.00 0.00 55.06 54.28 1jrq s HIS 524 Cb -0.47 0.79 -0.05 0.00 -1.43 0.00 0.00 32.58 31.42 1jrq s HIS 524 CO 0.55 -1.35 -0.06 -0.65 -2.00 0.00 0.00 174.74 171.24 1jrq s GLN 525 N -2.25 1.43 -0.20 -0.38 -0.21 -0.86 -0.35 119.66 116.83 1jrq s GLN 525 Ca 0.18 -1.71 0.01 0.00 0.02 0.00 0.00 55.36 53.86 1jrq s GLN 525 Cb -0.04 -0.95 0.04 0.00 1.00 0.00 0.00 33.01 33.06 1jrq s GLN 525 CO 0.09 0.02 -0.10 -1.01 -2.12 0.00 0.00 175.29 172.17 1jrq s HIS 526 N -3.15 2.41 -0.26 0.91 3.76 -0.64 -3.50 115.29 114.82 1jrq s HIS 526 Ca 0.27 -1.60 0.03 0.00 -0.15 0.00 0.00 55.06 53.61 1jrq s HIS 526 Cb 0.04 -1.63 0.06 0.00 1.11 0.00 0.00 32.58 32.15 1jrq s HIS 526 CO 0.10 -0.74 -0.10 0.42 -0.85 0.00 0.00 174.74 173.56 1jrq s ILE 527 N 1.40 2.08 0.05 0.60 1.01 0.89 -0.77 121.20 126.46 1jrq s ILE 527 Ca -0.02 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.04 1jrq s ILE 527 Cb -0.16 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1jrq s ILE 527 CO -0.08 -0.05 0.17 -0.31 0.00 0.00 0.00 174.94 174.67 1jrq s TYR 528 N 1.14 3.44 -0.04 3.97 1.51 0.60 -0.89 117.35 127.07 1jrq s TYR 528 Ca -0.08 0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.21 1jrq s TYR 528 Cb -0.20 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 39.94 1jrq s TYR 528 CO -0.05 0.58 -0.03 1.21 -1.11 0.00 0.00 175.55 176.14 1jrq s ASN 529 N -2.38 0.88 -0.12 2.29 2.47 0.07 -1.07 114.94 117.09 1jrq s ASN 529 Ca 0.32 -0.11 -0.00 0.00 0.42 0.00 0.00 52.86 53.49 1jrq s ASN 529 Cb -0.13 -0.41 -0.02 0.00 -1.45 0.00 0.00 41.25 39.24 1jrq s ASN 529 CO 0.25 -0.07 -0.10 -0.36 -3.72 0.00 0.00 177.10 173.10 1jrq s PHE 530 N 0.97 2.87 -0.39 0.43 0.08 0.23 0.12 117.98 122.29 1jrq s PHE 530 Ca -0.10 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.41 1jrq s PHE 530 Cb -0.14 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1jrq s PHE 530 CO -0.00 -0.04 0.25 0.50 -0.10 0.00 0.00 175.22 175.83 1jrq s ARG 531 N 0.05 2.96 -0.36 0.44 3.52 -0.77 -0.93 118.95 123.85 1jrq s ARG 531 Ca -0.03 -1.01 -0.00 0.00 -0.13 0.00 0.00 55.73 54.55 1jrq s ARG 531 Cb -0.14 -3.85 0.10 0.00 -1.56 0.00 0.00 34.95 29.49 1jrq s ARG 531 CO 0.04 -0.70 0.11 -0.51 -0.81 0.00 0.00 175.30 173.43 1jrq s LEU 532 N 1.63 4.82 -1.31 -0.88 1.43 0.31 -2.38 118.68 122.30 1jrq s LEU 532 Ca 0.04 -1.93 -0.15 0.00 -1.03 0.00 0.00 54.13 51.06 1jrq s LEU 532 Cb -0.19 -1.74 0.10 0.00 0.03 0.00 0.00 46.19 44.40 1jrq s LEU 532 CO 0.09 -0.43 1.80 -0.67 0.23 0.00 0.00 176.35 177.37 1jrq n ASP 533 N 4.48 4.78 -4.77 2.29 2.03 0.66 -0.27 116.55 125.75 1jrq n ASP 533 Ca -0.02 -2.95 -0.38 0.00 0.52 0.00 0.00 54.79 51.96 1jrq n ASP 533 Cb 0.42 -1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.13 1jrq n ASP 533 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jrq s LEU 534 N 2.37 4.31 -0.57 -2.67 1.43 -1.26 -0.98 118.68 121.31 1jrq s LEU 534 Ca 0.47 2.07 0.04 0.00 -1.03 0.00 0.00 54.13 55.68 1jrq s LEU 534 Cb 0.06 -3.98 0.16 0.00 0.03 0.00 0.00 46.19 42.46 1jrq s LEU 534 CO 0.01 -0.30 0.39 -1.81 0.23 0.00 0.00 176.35 174.87 1jrq s ASP 535 N -1.37 3.67 -0.77 2.29 1.01 0.48 -4.66 116.67 117.31 1jrq s ASP 535 Ca 0.52 -3.37 -0.26 0.00 0.71 0.00 0.00 52.55 50.15 1jrq s ASP 535 Cb -0.24 -1.20 -0.12 0.00 1.01 0.00 0.00 42.92 42.36 1jrq s ASP 535 CO 0.31 -0.15 2.35 -0.69 0.21 0.00 0.00 175.17 177.19 1jrq s VAL 536 N -0.66 3.07 -1.57 -1.27 1.01 -1.25 -2.96 120.40 116.76 1jrq s VAL 536 Ca 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 1jrq s VAL 536 Cb -0.07 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1jrq s VAL 536 CO -0.14 -0.15 0.32 -0.67 0.00 0.00 0.00 175.10 174.47 1jrq n ASP 537 N 17.79 -5.65 0.00 3.32 2.03 -0.33 -4.52 116.55 129.18 1jrq n ASP 537 Ca 0.45 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1jrq n ASP 537 Cb 0.45 -4.64 0.00 0.00 -0.72 0.00 0.00 41.12 36.21 1jrq n ASP 537 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jrq n GLY 538 N -1.25 3.25 0.13 0.27 0.00 -1.16 -4.83 105.19 101.61 1jrq n GLY 538 Ca -0.16 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 1jrq n GLY 538 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jrq h GLU 539 N 0.00 0.36 -6.29 1.61 3.07 -1.87 -3.40 114.58 108.05 1jrq h GLU 539 Ca 0.00 -0.26 -0.54 0.00 -0.50 0.00 0.00 59.36 58.06 1jrq h GLU 539 Cb 0.00 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.90 1jrq h GLU 539 CO 0.00 0.88 1.17 -0.80 -1.40 0.00 0.00 179.01 178.86 1jrq s ASN 540 N -6.34 5.91 0.46 1.42 0.01 -1.26 -3.54 114.94 111.60 1jrq s ASN 540 Ca -0.14 0.30 0.03 0.00 -0.71 0.00 0.00 52.86 52.34 1jrq s ASN 540 Cb 0.04 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 1jrq s ASN 540 CO 0.77 -1.88 0.04 0.20 -1.51 0.00 0.00 177.10 174.72 1jrq s ASN 541 N 5.34 3.66 -0.02 -1.22 0.01 -0.18 -4.36 114.94 118.18 1jrq s ASN 541 Ca 0.56 -1.60 -0.08 0.00 -0.71 0.00 0.00 52.86 51.04 1jrq s ASN 541 Cb -0.12 0.33 0.01 0.00 0.41 0.00 0.00 41.25 41.88 1jrq s ASN 541 CO 0.24 -0.79 0.16 -0.44 -1.51 0.00 0.00 177.10 174.76 1jrq s SER 542 N -3.76 -0.04 -0.19 -1.22 0.01 -0.02 -0.56 113.70 107.92 1jrq s SER 542 Ca 0.17 -0.04 -0.17 0.00 1.31 0.00 0.00 55.95 57.21 1jrq s SER 542 Cb 0.04 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 1jrq s SER 542 CO 0.09 -0.30 0.47 -0.22 0.41 0.00 0.00 173.24 173.69 1jrq s LEU 543 N -1.01 4.16 -0.02 2.44 2.96 -1.26 -0.67 118.68 125.27 1jrq s LEU 543 Ca -0.11 0.62 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 1jrq s LEU 543 Cb -0.06 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1jrq s LEU 543 CO 0.01 -0.13 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.98 1jrq s VAL 544 N 1.44 1.94 -0.10 1.68 1.01 0.40 -1.04 120.40 125.73 1jrq s VAL 544 Ca 0.22 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1jrq s VAL 544 Cb -0.15 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1jrq s VAL 544 CO 0.09 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.69 1jrq s ALA 545 N -0.51 3.03 -0.35 5.51 0.00 0.87 -0.54 121.76 129.76 1jrq s ALA 545 Ca 0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 1jrq s ALA 545 Cb -0.10 -1.37 0.11 0.00 0.00 0.00 0.00 23.12 21.76 1jrq s ALA 545 CO -0.00 0.46 0.15 -1.64 0.00 0.00 0.00 175.76 174.73 1jrq s MET 546 N -0.43 0.81 -0.36 0.00 -1.94 -0.01 -1.16 119.30 116.20 1jrq s MET 546 Ca 0.07 -1.33 -0.15 0.00 -1.71 0.00 0.00 55.69 52.57 1jrq s MET 546 Cb -0.12 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.77 1jrq s MET 546 CO 0.02 -1.07 0.35 -0.51 -0.01 0.00 0.00 175.02 173.80 1jrq s ASP 547 N 1.23 6.16 0.08 3.03 1.01 -0.43 -1.37 116.67 126.37 1jrq s ASP 547 Ca 0.13 -0.40 -0.31 0.00 0.71 0.00 0.00 52.55 52.69 1jrq s ASP 547 Cb -0.20 -2.19 -0.09 0.00 1.01 0.00 0.00 42.92 41.46 1jrq s ASP 547 CO -0.16 -0.37 1.65 -2.84 0.21 0.00 0.00 175.17 173.66 1jrq s PRO 548 N 1.96 4.20 0.09 8.23 0.02 -1.26 -1.53 135.00 146.71 1jrq s PRO 548 Ca 0.10 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.48 1jrq s PRO 548 Cb -0.17 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.76 1jrq s PRO 548 CO 0.12 -0.72 -0.07 0.14 -0.33 0.00 0.00 177.00 176.13 1jrq s VAL 549 N 2.48 0.68 -0.31 3.83 -7.23 0.49 -4.96 120.40 115.38 1jrq s VAL 549 Ca 0.74 -1.80 -0.15 0.00 -1.81 0.00 0.00 61.98 58.95 1jrq s VAL 549 Cb -0.40 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 1jrq s VAL 549 CO 0.32 -0.79 0.39 -0.69 -0.31 0.00 0.00 175.10 174.02 1jrq s VAL 550 N -3.25 5.15 0.08 1.32 1.01 -1.26 -1.20 120.40 122.24 1jrq s VAL 550 Ca 0.08 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.46 1jrq s VAL 550 Cb 0.03 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1jrq s VAL 550 CO -0.04 0.00 -0.10 -0.54 0.00 0.00 0.00 175.10 174.42 1jrq s LYS 551 N 2.10 2.21 0.30 2.72 -0.14 0.19 -4.91 119.74 122.22 1jrq s LYS 551 Ca 0.14 -0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 53.50 1jrq s LYS 551 Cb -0.16 -2.33 -0.11 0.00 -1.68 0.00 0.00 37.83 33.54 1jrq s LYS 551 CO 0.11 0.53 1.58 -2.14 -0.76 0.00 0.00 175.35 174.67 1jrq s PRO 552 N -1.95 4.12 -0.01 -1.68 0.02 -1.26 0.49 135.00 134.73 1jrq s PRO 552 Ca 0.20 2.57 -0.30 0.00 0.02 0.00 0.00 61.00 63.49 1jrq s PRO 552 Cb -0.11 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 1jrq s PRO 552 CO 0.11 -0.62 1.37 1.21 -0.33 0.00 0.00 177.00 178.74 1jrq s ASN 553 N 0.41 6.88 -0.11 2.53 3.04 0.94 -4.70 114.94 123.94 1jrq s ASN 553 Ca 0.62 2.06 0.17 0.00 0.04 0.00 0.00 52.86 55.75 1jrq s ASN 553 Cb -0.48 -2.56 0.25 0.00 -1.54 0.00 0.00 41.25 36.93 1jrq s ASN 553 CO 0.50 -0.70 1.13 0.35 -3.04 0.00 0.00 177.10 175.34 1jrq n THR 554 N 4.65 1.66 0.74 -5.21 -2.24 -1.26 -4.68 114.28 107.94 1jrq n THR 554 Ca 0.13 -1.99 0.08 0.00 -2.27 0.00 0.00 64.05 60.00 1jrq n THR 554 Cb 0.44 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1jrq n THR 554 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jrq n ALA 555 N -1.26 2.88 0.00 6.98 0.00 -1.26 -5.11 120.51 122.74 1jrq n ALA 555 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1jrq n ALA 555 Cb 0.64 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1jrq n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrq n GLY 556 N 1.09 -0.14 0.00 0.00 0.00 -1.26 -5.12 105.19 99.77 1jrq n GLY 556 Ca 0.08 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1jrq n GLY 556 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrq n GLY 557 N -0.04 0.34 0.25 -0.02 0.00 -1.26 -4.67 105.19 99.79 1jrq n GLY 557 Ca 0.00 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.16 1jrq n GLY 557 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jrq h PRO 558 N 0.00 0.00 -6.75 1.61 0.11 -2.03 -3.45 132.00 121.49 1jrq h PRO 558 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1jrq h PRO 558 Cb 0.00 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.16 1jrq h PRO 558 CO 0.00 0.14 0.67 1.03 -0.21 0.00 0.00 178.00 179.63 1jrq s ARG 559 N -4.45 4.36 0.04 1.05 1.81 -1.26 -4.95 118.95 115.55 1jrq s ARG 559 Ca -0.04 2.15 0.18 0.00 -1.72 0.00 0.00 55.73 56.31 1jrq s ARG 559 Cb 0.15 -3.14 -0.15 0.00 -0.45 0.00 0.00 34.95 31.35 1jrq s ARG 559 CO 0.63 -0.27 0.73 0.25 -0.68 0.00 0.00 175.30 175.97 1jrq n THR 560 N 2.09 1.01 -4.24 0.02 -2.24 -1.26 -4.60 114.28 105.05 1jrq n THR 560 Ca 0.05 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 61.02 1jrq n THR 560 Cb 0.42 -0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 1jrq n THR 560 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jrq s SER 561 N -5.56 0.94 0.13 3.42 1.04 -1.26 -0.04 113.70 112.36 1jrq s SER 561 Ca -0.04 -1.26 -0.02 0.00 0.48 0.00 0.00 55.95 55.11 1jrq s SER 561 Cb 0.09 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1jrq s SER 561 CO 0.82 -0.67 0.07 0.42 0.98 0.00 0.00 173.24 174.86 1jrq s THR 562 N -3.81 0.11 -0.29 2.02 -4.23 0.18 -4.61 115.64 105.01 1jrq s THR 562 Ca 0.29 -1.84 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1jrq s THR 562 Cb 0.07 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1jrq s THR 562 CO 0.07 -0.50 0.09 -0.04 -0.54 0.00 0.00 174.62 173.70 1jrq s MET 563 N -4.02 3.18 0.41 3.99 -1.94 -1.26 -0.64 119.30 119.02 1jrq s MET 563 Ca 0.21 -0.80 0.04 0.00 -1.71 0.00 0.00 55.69 53.43 1jrq s MET 563 Cb 0.07 -3.40 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 1jrq s MET 563 CO 0.00 -0.42 0.13 1.04 -0.01 0.00 0.00 175.02 175.76 1jrq n GLN 564 N 4.89 0.61 -4.55 2.03 6.02 -0.34 -4.98 117.38 121.05 1jrq n GLN 564 Ca -0.15 -3.41 -0.21 0.00 -0.01 0.00 0.00 57.00 53.22 1jrq n GLN 564 Cb 0.48 1.75 -0.15 0.00 1.02 0.00 0.00 30.24 33.35 1jrq n GLN 564 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jrq s VAL 565 N -3.03 1.06 -0.45 5.09 1.01 -1.26 -0.38 120.40 122.44 1jrq s VAL 565 Ca 0.18 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1jrq s VAL 565 Cb 0.01 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.53 1jrq s VAL 565 CO 0.13 0.24 0.41 0.20 0.00 0.00 0.00 175.10 176.08 1jrq s ASN 566 N -0.48 6.16 -0.17 3.32 0.01 -0.58 -4.91 114.94 118.29 1jrq s ASN 566 Ca 0.04 -1.02 -0.06 0.00 -0.71 0.00 0.00 52.86 51.11 1jrq s ASN 566 Cb -0.06 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 1jrq s ASN 566 CO -0.00 -0.61 0.03 -1.58 -1.51 0.00 0.00 177.10 173.42 1jrq s GLN 567 N 1.89 3.84 -0.03 -0.60 0.74 -1.26 -1.31 119.66 122.92 1jrq s GLN 567 Ca 0.07 -0.39 -0.26 0.00 0.05 0.00 0.00 55.36 54.83 1jrq s GLN 567 Cb -0.21 -3.11 0.06 0.00 1.10 0.00 0.00 33.01 30.85 1jrq s GLN 567 CO 0.10 0.30 0.57 1.52 -0.55 0.00 0.00 175.29 177.22 1jrq s TYR 568 N 0.28 -0.52 0.40 1.67 1.13 -0.31 -4.99 117.35 115.01 1jrq s TYR 568 Ca 0.02 0.85 -0.14 0.00 -1.41 0.00 0.00 57.07 56.39 1jrq s TYR 568 Cb -0.13 0.32 -0.08 0.00 -1.10 0.00 0.00 41.96 40.98 1jrq s TYR 568 CO 0.01 -0.56 0.81 -0.80 -2.51 0.00 0.00 175.55 172.50 1jrq s ASN 569 N -1.29 6.65 -0.43 -0.18 -0.87 -1.26 -0.09 114.94 117.46 1jrq s ASN 569 Ca -0.11 1.29 -0.06 0.00 -1.57 0.00 0.00 52.86 52.41 1jrq s ASN 569 Cb -0.01 -2.38 0.11 0.00 -0.02 0.00 0.00 41.25 38.94 1jrq s ASN 569 CO 0.08 -0.37 0.25 -0.63 -2.57 0.00 0.00 177.10 173.86 1jrq s ILE 570 N -2.28 3.69 -0.93 0.60 1.01 -0.21 -4.88 121.20 118.20 1jrq s ILE 570 Ca 0.54 -1.87 0.26 0.00 0.00 0.00 0.00 60.65 59.58 1jrq s ILE 570 Cb -0.10 -3.45 0.23 0.00 0.01 0.00 0.00 42.46 39.15 1jrq s ILE 570 CO 0.26 -0.68 1.82 0.61 0.00 0.00 0.00 174.94 176.94 1jrq n GLY 571 N 4.74 -1.44 3.25 6.18 0.00 -1.26 -4.34 105.19 112.31 1jrq n GLY 571 Ca -0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1jrq n GLY 571 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrq s ASN 572 N -3.30 0.12 0.18 1.61 4.22 -1.26 -0.60 114.94 115.90 1jrq s ASN 572 Ca 0.12 -0.79 -0.13 0.00 -2.14 0.00 0.00 52.86 49.91 1jrq s ASN 572 Cb 0.16 0.37 0.17 0.00 1.28 0.00 0.00 41.25 43.23 1jrq s ASN 572 CO 0.49 -0.79 1.72 -0.33 -2.04 0.00 0.00 177.10 176.15 1jrq h GLU 573 N 2.69 0.22 -0.57 3.55 5.08 -1.56 -0.17 114.58 123.82 1jrq h GLU 573 Ca -0.33 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.09 1jrq h GLU 573 Cb 1.21 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.35 1jrq h GLU 573 CO 0.54 0.15 0.25 0.37 -1.00 0.00 0.00 179.01 179.31 1jrq h GLN 574 N 0.23 0.45 0.00 2.33 5.75 -1.85 -0.34 115.11 121.67 1jrq h GLN 574 Ca 0.24 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.58 1jrq h GLN 574 Cb 0.31 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1jrq h GLN 574 CO -0.31 0.30 -0.61 -0.44 -2.65 0.00 0.00 178.83 175.11 1jrq h ASP 575 N 0.46 0.00 1.27 -0.69 3.32 -1.88 -3.01 116.42 115.89 1jrq h ASP 575 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1jrq h ASP 575 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1jrq h ASP 575 CO -0.24 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1jrq h ALA 576 N 1.39 1.00 -1.45 3.45 0.00 0.19 -3.40 119.26 120.43 1jrq h ALA 576 Ca -0.01 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1jrq h ALA 576 Cb 1.19 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1jrq h ALA 576 CO 0.08 0.00 1.02 0.00 0.00 0.00 0.00 179.25 180.35 1jrq s ALA 577 N -3.45 2.85 0.37 0.00 0.00 -0.26 -3.96 121.76 117.31 1jrq s ALA 577 Ca 0.04 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 50.75 1jrq s ALA 577 Cb 0.08 -4.17 0.03 0.00 0.00 0.00 0.00 23.12 19.06 1jrq s ALA 577 CO 0.56 -3.04 0.63 1.14 0.00 0.00 0.00 175.76 175.05 1jrq s GLN 578 N 5.41 2.09 0.51 0.00 -2.07 0.78 -4.99 119.66 121.40 1jrq s GLN 578 Ca 0.38 -1.61 -0.17 0.00 -1.82 0.00 0.00 55.36 52.13 1jrq s GLN 578 Cb -0.08 0.54 -0.08 0.00 -1.09 0.00 0.00 33.01 32.30 1jrq s GLN 578 CO 0.19 -0.93 0.99 0.15 -1.32 0.00 0.00 175.29 174.38 1jrq s LYS 579 N -2.65 3.90 -0.20 9.60 -0.14 -1.26 -1.44 119.74 127.55 1jrq s LYS 579 Ca 0.23 1.02 -0.03 0.00 -1.36 0.00 0.00 55.97 55.83 1jrq s LYS 579 Cb -0.03 -2.13 -0.01 0.00 -1.68 0.00 0.00 37.83 33.99 1jrq s LYS 579 CO 0.16 -0.31 -0.06 0.12 -0.76 0.00 0.00 175.35 174.50 1jrq s PHE 580 N -2.53 2.93 -0.35 3.18 5.36 -1.26 -4.79 117.98 120.51 1jrq s PHE 580 Ca 0.60 -0.91 -0.15 0.00 -0.96 0.00 0.00 56.93 55.52 1jrq s PHE 580 Cb -0.11 -2.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 1jrq s PHE 580 CO 0.29 -0.49 0.32 0.34 -1.46 0.00 0.00 175.22 174.23 1jrq s ASP 581 N 1.27 6.14 0.00 6.13 -1.08 -1.26 -4.92 116.67 122.94 1jrq s ASP 581 Ca 0.03 -0.39 0.03 0.00 -0.52 0.00 0.00 52.55 51.70 1jrq s ASP 581 Cb -0.14 -2.18 0.14 0.00 -1.46 0.00 0.00 42.92 39.28 1jrq s ASP 581 CO -0.02 -0.34 0.99 -0.81 0.52 0.00 0.00 175.17 175.51 1jrq n PRO 582 N 5.29 0.03 0.01 4.34 -0.04 -1.26 -0.79 135.00 142.58 1jrq n PRO 582 Ca -0.10 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 1jrq n PRO 582 Cb 0.49 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.75 1jrq n PRO 582 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jrq n GLY 583 N -1.10 -1.31 3.90 0.55 0.00 -1.26 -4.90 105.19 101.07 1jrq n GLY 583 Ca 0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1jrq n GLY 583 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jrq s THR 584 N -3.02 2.33 -0.07 2.61 -4.23 0.03 -4.44 115.64 108.85 1jrq s THR 584 Ca 0.11 -1.36 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 1jrq s THR 584 Cb 0.17 -2.68 -0.00 0.00 1.34 0.00 0.00 72.50 71.33 1jrq s THR 584 CO 0.68 0.00 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.92 1jrq s ILE 585 N -2.58 1.79 -0.13 2.99 1.01 -0.47 -4.94 121.20 118.87 1jrq s ILE 585 Ca 0.46 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 1jrq s ILE 585 Cb -0.03 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1jrq s ILE 585 CO 0.27 0.50 -0.11 -0.13 0.00 0.00 0.00 174.94 175.47 1jrq s ARG 586 N 0.16 1.94 0.06 2.79 1.81 -1.26 -0.83 118.95 123.61 1jrq s ARG 586 Ca -0.10 -0.42 0.09 0.00 -1.72 0.00 0.00 55.73 53.58 1jrq s ARG 586 Cb -0.15 -1.86 -0.03 0.00 -0.45 0.00 0.00 34.95 32.46 1jrq s ARG 586 CO 0.05 -0.25 -0.24 -0.51 -0.68 0.00 0.00 175.30 173.67 1jrq s LEU 587 N 1.58 2.33 -0.40 2.53 1.43 0.29 -0.54 118.68 125.90 1jrq s LEU 587 Ca 0.05 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1jrq s LEU 587 Cb -0.13 -1.35 0.05 0.00 0.03 0.00 0.00 46.19 44.80 1jrq s LEU 587 CO -0.09 0.24 0.25 -0.22 0.23 0.00 0.00 176.35 176.76 1jrq s LEU 588 N -1.45 4.99 0.33 1.79 2.96 -0.05 -0.45 118.68 126.80 1jrq s LEU 588 Ca 0.13 -1.26 0.08 0.00 -0.22 0.00 0.00 54.13 52.87 1jrq s LEU 588 Cb -0.10 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1jrq s LEU 588 CO 0.04 -0.48 0.17 -0.44 -1.32 0.00 0.00 176.35 174.32 1jrq s SER 589 N 1.90 4.83 -0.41 3.68 0.01 0.16 -1.75 113.70 122.12 1jrq s SER 589 Ca 0.02 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 1jrq s SER 589 Cb -0.21 -0.81 0.09 0.00 0.21 0.00 0.00 66.02 65.29 1jrq s SER 589 CO 0.05 -0.28 0.22 0.21 0.41 0.00 0.00 173.24 173.85 1jrq s ASN 590 N -3.87 5.44 0.00 2.44 3.84 -0.47 -0.84 114.94 121.49 1jrq s ASN 590 Ca 0.38 -1.67 0.16 0.00 0.21 0.00 0.00 52.86 51.93 1jrq s ASN 590 Cb -0.04 -1.91 0.87 0.00 -0.55 0.00 0.00 41.25 39.63 1jrq s ASN 590 CO 0.23 -0.52 1.40 -0.81 -2.79 0.00 0.00 177.10 174.62 1jrq n PRO 591 N 4.79 0.36 0.00 0.43 -0.04 -1.26 -2.52 135.00 136.76 1jrq n PRO 591 Ca -0.08 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 1jrq n PRO 591 Cb 0.42 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 1jrq n PRO 591 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jrq n ASN 592 N -1.14 1.06 -3.90 3.54 3.02 -1.26 -4.96 115.26 111.62 1jrq n ASN 592 Ca 0.10 -1.03 -0.17 0.00 -0.03 0.00 0.00 54.58 53.45 1jrq n ASN 592 Cb 0.09 0.90 -0.15 0.00 -0.61 0.00 0.00 39.78 40.00 1jrq n ASN 592 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jrq s LYS 593 N -2.64 0.44 0.24 3.52 1.02 -1.05 -5.10 119.74 116.17 1jrq s LYS 593 Ca 0.09 -0.09 0.11 0.00 0.02 0.00 0.00 55.97 56.10 1jrq s LYS 593 Cb 0.14 -0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 36.92 1jrq s LYS 593 CO 0.71 -0.00 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.72 1jrq s GLU 594 N 0.40 1.56 0.57 1.68 2.02 -1.26 -0.49 118.70 123.18 1jrq s GLU 594 Ca -0.04 -1.65 -0.06 0.00 0.02 0.00 0.00 54.97 53.23 1jrq s GLU 594 Cb -0.08 -1.67 0.12 0.00 0.10 0.00 0.00 34.13 32.61 1jrq s GLU 594 CO -0.01 0.32 0.78 0.27 0.02 0.00 0.00 175.26 176.64 1jrq n ASN 595 N -0.28 0.40 0.19 -0.19 2.04 0.80 -4.81 115.26 113.42 1jrq n ASN 595 Ca -0.08 -1.49 0.18 0.00 -0.44 0.00 0.00 54.58 52.75 1jrq n ASN 595 Cb 0.59 -0.56 0.81 0.00 -2.53 0.00 0.00 39.78 38.08 1jrq n ASN 595 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 1jrq h ARG 596 N 0.00 0.00 -0.64 -3.83 2.43 -1.89 -0.83 114.38 109.62 1jrq h ARG 596 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1jrq h ARG 596 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1jrq h ARG 596 CO 0.21 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.34 1jrq n MET 597 N -3.51 2.50 -1.02 0.20 2.81 -1.26 -4.94 117.12 111.90 1jrq n MET 597 Ca 0.03 -2.32 -0.01 0.00 -1.81 0.00 0.00 57.70 53.59 1jrq n MET 597 Cb 0.45 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1jrq n MET 597 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jrq n GLY 598 N 1.53 0.48 3.83 3.03 0.00 -0.32 -5.03 105.19 108.71 1jrq n GLY 598 Ca 0.22 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1jrq n GLY 598 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jrq s ASN 599 N -2.46 6.62 0.20 1.61 0.02 -1.26 -4.79 114.94 114.88 1jrq s ASN 599 Ca 0.00 0.74 -0.32 0.00 -1.02 0.00 0.00 52.86 52.25 1jrq s ASN 599 Cb 0.00 -2.18 -0.13 0.00 0.02 0.00 0.00 41.25 38.95 1jrq s ASN 599 CO 0.00 0.31 1.58 -2.65 0.02 0.00 0.00 177.10 176.36 1jrq n PRO 600 N 2.18 2.34 -1.90 -0.60 -0.02 -1.26 -0.14 135.00 135.59 1jrq n PRO 600 Ca -0.15 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1jrq n PRO 600 Cb 0.53 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1jrq n PRO 600 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1jrq s VAL 601 N 0.67 2.95 0.30 -1.45 -7.23 0.36 -4.73 120.40 111.27 1jrq s VAL 601 Ca 0.74 0.43 -0.00 0.00 -1.81 0.00 0.00 61.98 61.34 1jrq s VAL 601 Cb -0.61 -3.28 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 1jrq s VAL 601 CO 0.40 0.00 0.35 -0.44 -0.31 0.00 0.00 175.10 175.10 1jrq s SER 602 N 2.36 0.91 -0.06 4.85 0.01 -0.57 -1.37 113.70 119.84 1jrq s SER 602 Ca 0.74 -1.50 0.01 0.00 1.31 0.00 0.00 55.95 56.52 1jrq s SER 602 Cb -0.41 0.57 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1jrq s SER 602 CO 0.33 -1.13 -0.08 -0.31 0.41 0.00 0.00 173.24 172.46 1jrq s TYR 603 N -3.47 1.14 -0.08 2.43 1.51 -0.72 0.79 117.35 118.96 1jrq s TYR 603 Ca 0.34 -0.40 -0.21 0.00 -1.01 0.00 0.00 57.07 55.79 1jrq s TYR 603 Cb 0.02 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1jrq s TYR 603 CO 0.20 -0.26 0.61 -1.14 -1.11 0.00 0.00 175.55 173.85 1jrq s GLN 604 N 0.89 4.39 -0.26 -0.62 0.74 0.10 -0.88 119.66 124.03 1jrq s GLN 604 Ca -0.11 0.72 -0.12 0.00 0.05 0.00 0.00 55.36 55.90 1jrq s GLN 604 Cb -0.15 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 1jrq s GLN 604 CO 0.01 0.13 0.21 0.42 -0.55 0.00 0.00 175.29 175.51 1jrq s ILE 605 N 0.62 5.31 -0.42 -2.34 1.01 0.29 -1.67 121.20 124.00 1jrq s ILE 605 Ca 0.33 0.26 0.02 0.00 0.00 0.00 0.00 60.65 61.26 1jrq s ILE 605 Cb -0.17 -3.55 0.13 0.00 0.01 0.00 0.00 42.46 38.88 1jrq s ILE 605 CO 0.15 0.28 0.21 -0.63 0.00 0.00 0.00 174.94 174.95 1jrq s ILE 606 N 1.46 1.41 0.04 2.92 1.01 0.20 -4.40 121.20 123.83 1jrq s ILE 606 Ca 0.09 -2.40 0.32 0.00 0.00 0.00 0.00 60.65 58.66 1jrq s ILE 606 Cb -0.15 -2.00 0.36 0.00 0.01 0.00 0.00 42.46 40.69 1jrq s ILE 606 CO 0.08 -0.85 1.96 -0.65 0.00 0.00 0.00 174.94 175.49 1jrq h PRO 607 N 6.96 0.00 -3.41 2.79 0.11 -1.89 -0.49 132.00 136.08 1jrq h PRO 607 Ca -0.03 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.50 1jrq h PRO 607 Cb 0.94 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.65 1jrq h PRO 607 CO 0.49 0.00 -0.76 -0.47 -0.21 0.00 0.00 178.00 177.05 1jrq s TYR 608 N -3.65 1.54 -0.17 0.65 5.04 -1.26 -4.55 117.35 114.95 1jrq s TYR 608 Ca 0.01 -1.68 0.17 0.00 -2.44 0.00 0.00 57.07 53.13 1jrq s TYR 608 Cb 0.09 -1.62 0.44 0.00 0.35 0.00 0.00 41.96 41.23 1jrq s TYR 608 CO 0.48 -0.87 1.33 0.00 -1.34 0.00 0.00 175.55 175.15 1jrq n ALA 609 N 4.79 2.73 0.00 3.97 0.00 0.36 -4.88 120.51 127.48 1jrq n ALA 609 Ca -0.01 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.03 1jrq n ALA 609 Cb 0.41 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.27 1jrq n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrq n GLY 610 N -0.81 2.28 3.62 0.00 0.00 -1.24 -4.68 105.19 104.37 1jrq n GLY 610 Ca 0.19 -2.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.06 1jrq n GLY 610 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jrq s GLY 611 N 0.00 -0.28 0.00 -0.02 0.00 -1.26 -0.58 107.32 105.18 1jrq s GLY 611 Ca 0.00 1.64 0.23 0.00 0.00 0.00 0.00 44.72 46.60 1jrq s GLY 611 CO 0.00 0.51 1.18 -1.30 0.00 0.00 0.00 173.10 173.49 1jrq n THR 612 N -0.13 0.00 -4.35 0.90 -2.24 0.83 -4.91 114.28 104.37 1jrq n THR 612 Ca 0.01 -0.10 -0.24 0.00 -2.27 0.00 0.00 64.05 61.45 1jrq n THR 612 Cb 0.58 0.83 -0.09 0.00 -2.10 0.00 0.00 70.33 69.55 1jrq n THR 612 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jrq s HIS 613 N -2.75 2.53 0.42 4.78 4.02 -1.26 -4.94 115.29 118.09 1jrq s HIS 613 Ca 0.15 -0.40 -0.26 0.00 1.02 0.00 0.00 55.06 55.57 1jrq s HIS 613 Cb 0.18 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.58 30.24 1jrq s HIS 613 CO 0.68 0.53 1.28 -2.30 1.02 0.00 0.00 174.74 175.95 1jrq n PRO 614 N -0.90 1.97 -2.85 8.40 -0.02 -1.26 -4.84 135.00 135.50 1jrq n PRO 614 Ca -0.05 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 1jrq n PRO 614 Cb 0.62 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1jrq n PRO 614 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jrq s VAL 615 N -1.19 4.29 -0.26 -1.45 0.11 -1.26 -0.94 120.40 119.70 1jrq s VAL 615 Ca 0.60 1.91 -0.27 0.00 -2.93 0.00 0.00 61.98 61.29 1jrq s VAL 615 Cb -0.51 -4.24 0.01 0.00 -1.53 0.00 0.00 36.38 30.11 1jrq s VAL 615 CO 0.58 0.47 0.97 0.00 -3.33 0.00 0.00 175.10 173.80 1jrq s ALA 616 N -0.91 3.63 -1.76 1.54 0.00 -0.16 -4.54 121.76 119.56 1jrq s ALA 616 Ca 0.40 0.01 0.31 0.00 0.00 0.00 0.00 51.96 52.67 1jrq s ALA 616 Cb -0.24 -3.49 1.59 0.00 0.00 0.00 0.00 23.12 20.98 1jrq s ALA 616 CO 0.29 -1.11 2.07 1.63 0.00 0.00 0.00 175.76 178.64 1jrq n LYS 617 N 6.34 0.78 -3.30 0.00 5.02 -1.26 -4.55 118.16 121.19 1jrq n LYS 617 Ca 0.10 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jrq n LYS 617 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1jrq n LYS 617 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jrq n GLY 618 N 1.16 -0.60 3.73 0.72 0.00 -1.26 -4.92 105.19 104.02 1jrq n GLY 618 Ca 0.18 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 1jrq n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrq s ALA 619 N -1.00 3.34 -1.25 4.61 0.00 -1.08 -4.93 121.76 121.45 1jrq s ALA 619 Ca 0.00 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 1jrq s ALA 619 Cb 0.00 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.79 1jrq s ALA 619 CO 0.00 -0.25 2.64 1.04 0.00 0.00 0.00 175.76 179.20 1jrq n GLN 620 N 2.96 4.02 -4.03 0.00 1.13 -1.26 -4.85 117.38 115.36 1jrq n GLN 620 Ca 0.05 -2.90 -0.13 0.00 -1.94 0.00 0.00 57.00 52.08 1jrq n GLN 620 Cb 0.47 -2.60 -0.13 0.00 0.11 0.00 0.00 30.24 28.10 1jrq n GLN 620 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1jrq s PHE 621 N -0.22 0.38 0.73 1.08 0.08 -1.26 -4.98 117.98 113.79 1jrq s PHE 621 Ca 0.59 -0.30 -0.13 0.00 0.12 0.00 0.00 56.93 57.22 1jrq s PHE 621 Cb 0.21 -0.24 0.04 0.00 -0.57 0.00 0.00 43.02 42.46 1jrq s PHE 621 CO -0.09 -0.07 1.12 0.00 -0.10 0.00 0.00 175.22 176.07 1jrq s ALA 622 N -0.78 2.26 -0.32 5.36 0.00 -1.26 -4.89 121.76 122.13 1jrq s ALA 622 Ca -0.06 0.49 0.22 0.00 0.00 0.00 0.00 51.96 52.61 1jrq s ALA 622 Cb -0.06 -3.33 1.09 0.00 0.00 0.00 0.00 23.12 20.82 1jrq s ALA 622 CO -0.00 -1.65 1.68 -0.35 0.00 0.00 0.00 175.76 175.44 1jrq n PRO 623 N -3.01 0.16 -0.13 0.00 -0.05 -1.26 -2.36 135.00 128.36 1jrq n PRO 623 Ca 0.10 0.55 0.11 0.00 -0.05 0.00 0.00 63.50 64.21 1jrq n PRO 623 Cb 0.52 -1.92 0.30 0.00 -0.05 0.00 0.00 33.50 32.35 1jrq n PRO 623 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1jrq n ASP 624 N -2.25 2.32 -4.78 3.54 5.75 -1.26 -4.75 116.55 115.12 1jrq n ASP 624 Ca 0.00 -1.83 -0.38 0.00 -0.01 0.00 0.00 54.79 52.57 1jrq n ASP 624 Cb 0.12 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 1jrq n ASP 624 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1jrq s GLU 625 N -1.67 4.62 0.19 0.11 0.41 -0.99 -4.98 118.70 116.39 1jrq s GLU 625 Ca 0.34 1.32 -0.08 0.00 -0.41 0.00 0.00 54.97 56.14 1jrq s GLU 625 Cb 0.19 -2.95 0.10 0.00 -1.78 0.00 0.00 34.13 29.69 1jrq s GLU 625 CO 0.27 0.36 1.62 -1.49 -0.49 0.00 0.00 175.26 175.54 1jrq h TRP 626 N 3.49 1.08 -0.39 1.61 4.06 -1.91 -1.99 115.95 121.90 1jrq h TRP 626 Ca -0.46 -0.22 -0.01 0.00 2.06 0.00 0.00 58.89 60.26 1jrq h TRP 626 Cb 1.19 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 29.06 1jrq h TRP 626 CO 0.62 1.01 0.19 0.97 -3.56 0.00 0.00 178.44 177.67 1jrq h ILE 627 N 0.87 1.13 -0.62 1.49 2.10 -1.94 0.26 117.51 120.81 1jrq h ILE 627 Ca 0.14 -0.37 -0.07 0.00 1.08 0.00 0.00 64.86 65.64 1jrq h ILE 627 Cb 0.65 0.63 -0.02 0.00 -1.09 0.00 0.00 36.82 36.98 1jrq h ILE 627 CO 0.05 0.15 0.13 0.22 -1.08 0.00 0.00 178.15 177.62 1jrq h TYR 628 N 0.55 1.06 0.15 2.19 5.03 -1.76 -1.28 116.97 122.91 1jrq h TYR 628 Ca 0.14 -0.14 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 1jrq h TYR 628 Cb 0.05 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.04 1jrq h TYR 628 CO 0.00 0.90 -0.07 1.25 -1.32 0.00 0.00 178.16 178.92 1jrq h HIS 629 N 0.92 -0.19 -0.91 -3.82 2.76 -0.47 -3.30 115.15 110.14 1jrq h HIS 629 Ca 0.19 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1jrq h HIS 629 Cb 0.39 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.36 1jrq h HIS 629 CO 0.03 0.24 0.57 0.00 -1.30 0.00 0.00 177.93 177.46 1jrq h ARG 630 N -0.71 1.22 -3.60 5.26 3.08 -0.55 -3.38 114.38 115.70 1jrq h ARG 630 Ca -0.02 -0.10 -0.72 0.00 0.07 0.00 0.00 59.98 59.21 1jrq h ARG 630 Cb 0.51 -0.26 -0.33 0.00 0.08 0.00 0.00 29.97 29.97 1jrq h ARG 630 CO 0.03 0.84 -0.23 -0.51 -1.07 0.00 0.00 179.97 179.03 1jrq s LEU 631 N -10.05 5.62 0.42 3.04 1.43 -0.49 -3.27 118.68 115.38 1jrq s LEU 631 Ca -0.13 -2.90 0.22 0.00 -1.03 0.00 0.00 54.13 50.30 1jrq s LEU 631 Cb 0.17 -1.94 0.31 0.00 0.03 0.00 0.00 46.19 44.75 1jrq s LEU 631 CO 0.81 -0.40 1.58 0.77 0.23 0.00 0.00 176.35 179.35 1jrq h SER 632 N 7.11 0.00 -0.14 2.29 4.64 -1.73 -3.29 113.55 122.43 1jrq h SER 632 Ca 0.03 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1jrq h SER 632 Cb 0.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1jrq h SER 632 CO 0.73 0.04 0.16 2.19 -0.87 0.00 0.00 176.83 179.09 1jrq h PHE 633 N 0.00 0.00 0.00 4.77 -0.00 -1.91 -2.01 116.94 117.79 1jrq h PHE 633 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1jrq h PHE 633 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.98 1jrq h PHE 633 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 178.31 176.98 1jrq n MET 634 N -3.77 0.07 0.00 6.09 0.00 -1.24 -3.54 117.12 114.73 1jrq n MET 634 Ca 0.01 0.30 0.10 0.00 0.00 0.00 0.00 57.70 58.11 1jrq n MET 634 Cb 0.27 -1.63 0.02 0.00 0.00 0.00 0.00 33.22 31.88 1jrq n MET 634 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1jrq n ASP 635 N -1.77 2.14 -4.14 7.83 2.03 -0.76 -2.64 116.55 119.24 1jrq n ASP 635 Ca 0.03 -1.57 -0.22 0.00 0.52 0.00 0.00 54.79 53.55 1jrq n ASP 635 Cb 0.20 0.37 -0.15 0.00 -0.72 0.00 0.00 41.12 40.82 1jrq n ASP 635 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1jrq s LYS 636 N -2.21 1.14 0.15 -0.67 -0.14 -1.23 -4.76 119.74 112.02 1jrq s LYS 636 Ca 0.19 -0.62 0.18 0.00 -1.36 0.00 0.00 55.97 54.36 1jrq s LYS 636 Cb 0.17 -1.13 -0.05 0.00 -1.68 0.00 0.00 37.83 35.14 1jrq s LYS 636 CO 0.47 0.30 1.03 1.96 -0.76 0.00 0.00 175.35 178.35 1jrq h GLN 637 N 5.50 0.00 -4.95 1.68 7.50 -1.46 -3.40 115.11 119.97 1jrq h GLN 637 Ca -0.36 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.24 1jrq h GLN 637 Cb 1.16 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.37 1jrq h GLN 637 CO 0.47 0.27 -0.83 -1.17 -1.50 0.00 0.00 178.83 176.07 1jrq s LEU 638 N -5.87 1.82 0.04 1.46 2.96 -0.54 -0.22 118.68 118.33 1jrq s LEU 638 Ca -0.01 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1jrq s LEU 638 Cb 0.08 -0.94 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 1jrq s LEU 638 CO 0.79 0.10 -0.07 0.26 -1.32 0.00 0.00 176.35 176.11 1jrq s TRP 639 N 0.34 0.57 -0.11 5.38 0.52 -0.42 -0.16 118.94 125.06 1jrq s TRP 639 Ca -0.10 -0.50 -0.04 0.00 0.02 0.00 0.00 56.10 55.48 1jrq s TRP 639 Cb -0.14 -0.35 0.06 0.00 -1.15 0.00 0.00 33.47 31.89 1jrq s TRP 639 CO 0.04 -0.11 0.21 0.08 0.02 0.00 0.00 176.95 177.19 1jrq s VAL 640 N -1.36 -0.33 0.27 4.03 1.01 -1.26 -1.25 120.40 121.51 1jrq s VAL 640 Ca -0.11 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1jrq s VAL 640 Cb -0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 1jrq s VAL 640 CO 0.00 0.13 -0.01 0.42 0.00 0.00 0.00 175.10 175.64 1jrq s THR 641 N 2.32 1.30 0.37 3.92 -4.23 -0.62 -4.42 115.64 114.28 1jrq s THR 641 Ca 0.02 -2.06 -0.25 0.00 -1.18 0.00 0.00 61.69 58.22 1jrq s THR 641 Cb -0.12 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 1jrq s THR 641 CO -0.07 -0.23 1.04 -0.13 -0.54 0.00 0.00 174.62 174.69 1jrq s ARG 642 N -3.82 4.31 0.26 3.99 0.52 -1.26 -0.51 118.95 122.44 1jrq s ARG 642 Ca 0.31 1.53 -0.30 0.00 -0.52 0.00 0.00 55.73 56.75 1jrq s ARG 642 Cb 0.06 -2.70 -0.11 0.00 0.52 0.00 0.00 34.95 32.73 1jrq s ARG 642 CO 0.12 -0.01 1.54 -0.47 0.02 0.00 0.00 175.30 176.49 1jrq s TYR 643 N -1.56 2.89 -0.24 -0.53 5.04 -0.36 -4.79 117.35 117.79 1jrq s TYR 643 Ca 0.54 0.83 -0.07 0.00 -2.44 0.00 0.00 57.07 55.93 1jrq s TYR 643 Cb -0.23 -3.96 0.11 0.00 0.35 0.00 0.00 41.96 38.23 1jrq s TYR 643 CO 0.29 -3.27 0.50 -1.01 -1.34 0.00 0.00 175.55 170.73 1jrq s HIS 644 N 0.18 -1.02 0.64 4.97 3.76 -1.26 -5.05 115.29 117.51 1jrq s HIS 644 Ca 0.63 1.74 0.33 0.00 -0.15 0.00 0.00 55.06 57.62 1jrq s HIS 644 Cb -0.45 0.46 1.86 0.00 1.11 0.00 0.00 32.58 35.55 1jrq s HIS 644 CO 0.43 -0.58 2.11 -1.00 -0.85 0.00 0.00 174.74 174.85 1jrq h PRO 645 N 8.11 0.00 -0.67 8.40 0.13 -2.00 -2.02 132.00 143.95 1jrq h PRO 645 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1jrq h PRO 645 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jrq h PRO 645 CO 0.13 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.31 1jrq n GLY 646 N -1.26 2.22 2.98 1.56 0.00 -1.26 -4.74 105.19 104.69 1jrq n GLY 646 Ca -0.01 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 1jrq n GLY 646 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jrq s GLU 647 N -1.24 1.59 0.00 1.61 2.02 -0.76 -4.91 118.70 117.00 1jrq s GLU 647 Ca 0.45 -2.07 0.00 0.00 0.02 0.00 0.00 54.97 53.37 1jrq s GLU 647 Cb 0.25 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1jrq s GLU 647 CO 0.29 -1.00 0.20 0.54 0.02 0.00 0.00 175.26 175.31 1jrq n ARG 648 N 3.92 0.61 -4.71 1.61 1.74 -1.26 -4.80 116.66 113.76 1jrq n ARG 648 Ca 0.04 -0.20 -0.26 0.00 -0.77 0.00 0.00 57.85 56.66 1jrq n ARG 648 Cb 0.39 -0.64 -0.17 0.00 -1.02 0.00 0.00 32.46 31.03 1jrq n ARG 648 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jrq s PHE 649 N -0.14 1.66 0.37 -1.55 0.08 -1.26 -4.77 117.98 112.36 1jrq s PHE 649 Ca 0.00 -0.61 0.06 0.00 0.12 0.00 0.00 56.93 56.49 1jrq s PHE 649 Cb 0.00 -1.18 0.72 0.00 -0.57 0.00 0.00 43.02 41.99 1jrq s PHE 649 CO 0.00 -0.29 1.96 -1.00 -0.10 0.00 0.00 175.22 175.79 1jrq h PRO 650 N 6.85 0.51 -0.02 0.24 0.13 -1.93 -2.24 132.00 135.54 1jrq h PRO 650 Ca -0.29 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1jrq h PRO 650 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1jrq h PRO 650 CO 0.47 0.46 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.81 1jrq n GLU 651 N -4.36 1.61 0.00 0.86 0.00 -1.26 -1.71 120.64 115.78 1jrq n GLU 651 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 57.16 56.20 1jrq n GLU 651 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.13 1jrq n GLU 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jrq n GLY 652 N 1.21 1.27 0.27 -1.84 0.00 -0.84 -4.28 105.19 100.98 1jrq n GLY 652 Ca 0.18 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 1jrq n GLY 652 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jrq h LYS 653 N 0.00 0.93 -2.55 1.61 3.64 -1.84 -3.36 116.57 115.01 1jrq h LYS 653 Ca 0.00 -0.22 -0.60 0.00 -1.27 0.00 0.00 60.65 58.56 1jrq h LYS 653 Cb 0.00 -0.12 -0.41 0.00 -0.41 0.00 0.00 32.23 31.29 1jrq h LYS 653 CO 0.00 0.86 -0.72 0.66 -2.27 0.00 0.00 179.45 177.97 1jrq n TYR 654 N -4.38 2.13 0.43 1.91 4.01 -1.26 -4.96 117.16 115.05 1jrq n TYR 654 Ca 0.03 -3.98 0.13 0.00 -0.16 0.00 0.00 57.90 53.91 1jrq n TYR 654 Cb 0.23 -0.41 0.48 0.00 -0.31 0.00 0.00 39.34 39.34 1jrq n TYR 654 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1jrq h PRO 655 N 4.89 0.00 -6.30 -0.72 0.13 -1.79 -3.41 132.00 124.79 1jrq h PRO 655 Ca 0.18 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.74 1jrq h PRO 655 Cb 0.77 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 1jrq h PRO 655 CO 0.66 0.00 1.15 1.21 -0.23 0.00 0.00 178.00 180.79 1jrq s ASN 656 N -4.44 6.28 -1.36 1.44 2.47 -1.26 -2.70 114.94 115.37 1jrq s ASN 656 Ca 0.05 1.48 0.00 0.00 0.42 0.00 0.00 52.86 54.81 1jrq s ASN 656 Cb 0.10 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.37 1jrq s ASN 656 CO 0.45 -1.36 0.00 0.54 -3.72 0.00 0.00 177.10 173.01 1jrq n ARG 657 N 7.85 -1.16 -2.28 0.43 1.74 -1.26 -4.21 116.66 117.78 1jrq n ARG 657 Ca 0.19 0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 57.70 1jrq n ARG 657 Cb 0.46 -5.09 -0.02 0.00 -1.02 0.00 0.00 32.46 26.79 1jrq n ARG 657 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jrq s SER 658 N -2.45 6.39 0.00 0.55 1.04 -1.10 -4.86 113.70 113.26 1jrq s SER 658 Ca 0.00 2.33 0.19 0.00 0.48 0.00 0.00 55.95 58.96 1jrq s SER 658 Cb 0.00 -2.61 -0.12 0.00 0.10 0.00 0.00 66.02 63.39 1jrq s SER 658 CO 0.00 -0.77 0.89 0.35 0.98 0.00 0.00 173.24 174.69 1jrq n THR 659 N -0.14 0.00 -3.50 2.02 -2.24 -1.26 -4.61 114.28 104.55 1jrq n THR 659 Ca 0.05 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1jrq n THR 659 Cb 0.47 1.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.75 1jrq n THR 659 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1jrq s HIS 660 N -2.55 -0.62 -0.22 4.78 -3.43 -1.26 -4.84 115.29 107.14 1jrq s HIS 660 Ca 0.11 0.94 -0.33 0.00 -0.80 0.00 0.00 55.06 54.98 1jrq s HIS 660 Cb 0.15 0.44 -0.10 0.00 -1.43 0.00 0.00 32.58 31.64 1jrq s HIS 660 CO 0.66 -0.66 2.07 -3.47 -2.00 0.00 0.00 174.74 171.34 1jrq n ASP 661 N 0.63 2.91 -0.42 7.38 -0.08 -1.20 -4.80 116.55 120.97 1jrq n ASP 661 Ca -0.19 0.60 0.05 0.00 -1.51 0.00 0.00 54.79 53.74 1jrq n ASP 661 Cb 0.59 -1.37 0.12 0.00 2.34 0.00 0.00 41.12 42.80 1jrq n ASP 661 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1jrq n THR 662 N 6.46 1.32 0.00 5.18 -2.24 -1.26 -3.99 114.28 119.74 1jrq n THR 662 Ca 0.31 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1jrq n THR 662 Cb 0.30 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1jrq n THR 662 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jrq n GLY 663 N -0.19 0.82 0.30 3.38 0.00 -1.26 -4.23 105.19 104.00 1jrq n GLY 663 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1jrq n GLY 663 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jrq h LEU 664 N 0.00 0.00 -0.32 0.99 3.38 -1.48 0.25 115.31 118.12 1jrq h LEU 664 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1jrq h LEU 664 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jrq h LEU 664 CO 0.00 0.00 -0.09 1.23 0.09 0.00 0.00 178.44 179.67 1jrq h GLY 665 N 0.00 0.68 0.77 0.83 0.00 -1.86 -2.16 103.07 101.33 1jrq h GLY 665 Ca 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1jrq h GLY 665 CO -0.00 0.52 -0.07 -1.61 0.00 0.00 0.00 176.54 175.38 1jrq h GLN 666 N 0.40 0.34 0.00 4.80 4.15 -1.25 -1.62 115.11 121.93 1jrq h GLN 666 Ca 0.08 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1jrq h GLN 666 Cb 0.59 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.27 1jrq h GLN 666 CO 0.03 0.65 -0.05 1.88 -1.93 0.00 0.00 178.83 179.41 1jrq h TYR 667 N 0.02 0.00 -0.12 3.99 0.05 -0.55 -2.49 116.97 117.87 1jrq h TYR 667 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1jrq h TYR 667 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1jrq h TYR 667 CO 0.06 0.05 0.00 -1.13 -1.05 0.00 0.00 178.16 176.09 1jrq n SER 668 N -4.26 2.52 -0.24 3.88 3.41 -0.82 -4.67 113.62 113.44 1jrq n SER 668 Ca -0.03 -1.73 0.03 0.00 -0.26 0.00 0.00 58.87 56.88 1jrq n SER 668 Cb 0.13 -0.07 0.15 0.00 -0.26 0.00 0.00 64.21 64.17 1jrq n SER 668 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jrq h LYS 669 N 3.03 0.50 0.00 4.33 1.63 -0.81 -0.64 116.57 124.61 1jrq h LYS 669 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1jrq h LYS 669 Cb 0.69 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1jrq h LYS 669 CO 0.00 0.33 0.00 -0.25 -3.45 0.00 0.00 179.45 176.08 1jrq n ASP 670 N -4.93 0.00 -3.97 4.20 8.00 -1.26 -4.90 116.55 113.68 1jrq n ASP 670 Ca 0.12 -1.49 -0.31 0.00 0.71 0.00 0.00 54.79 53.82 1jrq n ASP 670 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 1jrq n ASP 670 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1jrq n ASN 671 N -0.62 -1.34 -4.69 -2.24 4.05 -0.25 -4.89 115.26 105.28 1jrq n ASN 671 Ca 0.05 -1.01 -0.30 0.00 0.45 0.00 0.00 54.58 53.77 1jrq n ASN 671 Cb 0.02 -1.23 0.15 0.00 1.23 0.00 0.00 39.78 39.96 1jrq n ASN 671 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1jrq s GLU 672 N -6.70 0.97 0.29 1.20 2.02 -1.26 -4.53 118.70 110.68 1jrq s GLU 672 Ca 0.21 0.86 -0.29 0.00 0.02 0.00 0.00 54.97 55.77 1jrq s GLU 672 Cb -0.12 -1.77 -0.09 0.00 0.10 0.00 0.00 34.13 32.25 1jrq s GLU 672 CO 0.77 -2.45 1.08 0.45 0.02 0.00 0.00 175.26 175.13 1jrq s SER 673 N -3.27 7.25 -0.18 -0.19 0.15 -1.26 -1.79 113.70 114.40 1jrq s SER 673 Ca 0.64 2.23 0.14 0.00 0.70 0.00 0.00 55.95 59.66 1jrq s SER 673 Cb -0.19 -2.62 0.38 0.00 -1.71 0.00 0.00 66.02 61.88 1jrq s SER 673 CO 0.58 -0.15 1.22 0.18 1.20 0.00 0.00 173.24 176.26 1jrq n LEU 674 N 1.09 2.72 -4.61 3.45 4.77 0.23 -4.86 117.00 119.78 1jrq n LEU 674 Ca -0.01 -3.56 -0.41 0.00 -0.03 0.00 0.00 56.01 52.01 1jrq n LEU 674 Cb 0.45 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1jrq n LEU 674 CO 0.53 1.11 0.40 -0.62 -1.33 0.00 0.00 177.39 177.48 1jrq s ASP 675 N -3.00 6.54 -1.29 -1.43 2.15 -1.26 -4.14 116.67 114.24 1jrq s ASP 675 Ca 0.36 0.56 -0.19 0.00 0.43 0.00 0.00 52.55 53.71 1jrq s ASP 675 Cb 0.34 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.64 1jrq s ASP 675 CO -0.02 -0.44 0.55 -3.20 -0.17 0.00 0.00 175.17 171.89 1jrq n ASN 676 N 5.83 -2.90 -3.84 -0.34 4.05 -0.57 -4.97 115.26 112.53 1jrq n ASN 676 Ca -0.01 -1.17 -0.13 0.00 0.45 0.00 0.00 54.58 53.73 1jrq n ASN 676 Cb 0.49 -2.37 -0.07 0.00 1.23 0.00 0.00 39.78 39.06 1jrq n ASN 676 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1jrq s THR 677 N -3.74 0.00 -0.51 -0.44 -1.32 0.28 -4.57 115.64 105.34 1jrq s THR 677 Ca 0.32 -1.74 -0.27 0.00 -1.21 0.00 0.00 61.69 58.79 1jrq s THR 677 Cb -0.15 -2.44 -0.04 0.00 -1.51 0.00 0.00 72.50 68.36 1jrq s THR 677 CO 0.93 0.00 2.02 -0.62 -2.21 0.00 0.00 174.62 174.74 1jrq s ASP 678 N -3.16 5.15 0.21 8.08 -1.08 -1.23 -1.01 116.67 123.62 1jrq s ASP 678 Ca 0.33 0.79 0.02 0.00 -0.52 0.00 0.00 52.55 53.17 1jrq s ASP 678 Cb 0.03 -2.52 -0.03 0.00 -1.46 0.00 0.00 42.92 38.93 1jrq s ASP 678 CO 0.15 -2.39 0.36 0.00 0.52 0.00 0.00 175.17 173.81 1jrq s ALA 679 N 9.55 3.90 -0.09 3.66 0.00 -1.26 -1.23 121.76 136.29 1jrq s ALA 679 Ca 0.79 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1jrq s ALA 679 Cb -0.16 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.14 1jrq s ALA 679 CO 0.25 0.36 -0.05 0.08 0.00 0.00 0.00 175.76 176.41 1jrq s VAL 680 N -1.90 0.76 0.02 0.00 1.01 0.33 -4.20 120.40 116.43 1jrq s VAL 680 Ca 0.36 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.08 1jrq s VAL 680 Cb -0.10 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1jrq s VAL 680 CO 0.30 0.32 0.40 -0.69 0.00 0.00 0.00 175.10 175.43 1jrq s VAL 681 N 1.78 5.05 -0.14 2.92 1.01 0.63 -1.59 120.40 130.06 1jrq s VAL 681 Ca 0.04 0.72 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 1jrq s VAL 681 Cb -0.13 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.60 1jrq s VAL 681 CO -0.07 0.49 -0.09 0.26 0.00 0.00 0.00 175.10 175.69 1jrq s TRP 682 N -1.18 1.79 -0.15 5.22 0.52 -0.38 0.12 118.94 124.88 1jrq s TRP 682 Ca 0.27 -1.01 -0.03 0.00 0.02 0.00 0.00 56.10 55.35 1jrq s TRP 682 Cb -0.16 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 1jrq s TRP 682 CO 0.15 -0.60 -0.05 -1.64 0.02 0.00 0.00 176.95 174.83 1jrq s MET 683 N 1.61 3.60 -0.13 4.98 -1.94 -0.11 -1.31 119.30 126.00 1jrq s MET 683 Ca 0.04 -0.53 -0.01 0.00 -1.71 0.00 0.00 55.69 53.48 1jrq s MET 683 Cb -0.13 -2.87 -0.02 0.00 2.01 0.00 0.00 34.83 33.81 1jrq s MET 683 CO -0.09 0.27 -0.11 0.99 -0.01 0.00 0.00 175.02 176.07 1jrq s THR 684 N 0.28 3.21 -0.03 2.05 2.01 0.70 -0.60 115.64 123.27 1jrq s THR 684 Ca -0.04 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 1jrq s THR 684 Cb -0.14 -2.36 0.01 0.00 0.01 0.00 0.00 72.50 70.02 1jrq s THR 684 CO 0.03 0.52 0.12 0.28 -0.69 0.00 0.00 174.62 174.88 1jrq s THR 685 N 0.34 0.04 0.35 -0.82 -1.32 -0.23 -4.43 115.64 109.56 1jrq s THR 685 Ca -0.10 -0.30 -0.18 0.00 -1.21 0.00 0.00 61.69 59.91 1jrq s THR 685 Cb -0.16 -0.27 0.05 0.00 -1.51 0.00 0.00 72.50 70.61 1jrq s THR 685 CO 0.05 -0.16 0.78 -0.83 -2.21 0.00 0.00 174.62 172.25 1jrq s GLY 686 N -0.52 0.22 0.24 6.08 0.00 -1.26 -0.29 107.32 111.78 1jrq s GLY 686 Ca -0.06 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.13 1jrq s GLY 686 CO 0.01 -0.15 -0.10 -0.51 0.00 0.00 0.00 173.10 172.34 1jrq s THR 687 N -2.77 1.65 -0.25 0.90 -4.23 0.05 -0.99 115.64 110.00 1jrq s THR 687 Ca 0.14 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1jrq s THR 687 Cb -0.05 -2.23 0.04 0.00 1.34 0.00 0.00 72.50 71.60 1jrq s THR 687 CO 0.10 -0.45 -0.09 -0.89 -0.54 0.00 0.00 174.62 172.75 1jrq s THR 688 N -3.02 2.51 -0.42 3.99 2.01 -0.12 -1.62 115.64 118.97 1jrq s THR 688 Ca 0.26 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 60.79 1jrq s THR 688 Cb 0.02 -2.35 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1jrq s THR 688 CO 0.09 0.10 0.34 -2.28 -0.69 0.00 0.00 174.62 172.18 1jrq s HIS 689 N 1.22 3.23 -0.31 4.92 5.04 0.53 -3.99 115.29 125.93 1jrq s HIS 689 Ca -0.04 -0.59 -0.08 0.00 -1.54 0.00 0.00 55.06 52.82 1jrq s HIS 689 Cb -0.18 -2.73 0.01 0.00 0.04 0.00 0.00 32.58 29.72 1jrq s HIS 689 CO -0.05 -0.64 0.11 0.08 -2.34 0.00 0.00 174.74 171.89 1jrq s VAL 690 N 1.77 4.15 0.95 0.89 1.01 -1.26 -2.98 120.40 124.93 1jrq s VAL 690 Ca 0.06 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1jrq s VAL 690 Cb -0.19 -3.15 0.16 0.00 0.00 0.00 0.00 36.38 33.20 1jrq s VAL 690 CO 0.10 0.04 1.09 0.00 0.00 0.00 0.00 175.10 176.33 1jrq s ALA 691 N 1.53 1.14 0.09 5.51 0.00 -1.26 -5.02 121.76 123.74 1jrq s ALA 691 Ca 0.03 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 1jrq s ALA 691 Cb -0.17 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1jrq s ALA 691 CO 0.04 -2.70 0.39 -0.98 0.00 0.00 0.00 175.76 172.51 1jrq s ARG 692 N -4.83 1.00 0.51 0.00 1.70 -1.26 -4.63 118.95 111.44 1jrq s ARG 692 Ca 0.65 -0.60 0.23 0.00 -0.47 0.00 0.00 55.73 55.54 1jrq s ARG 692 Cb -0.20 0.44 1.32 0.00 -0.57 0.00 0.00 34.95 35.94 1jrq s ARG 692 CO 0.58 -0.37 1.99 0.00 -1.08 0.00 0.00 175.30 176.42 1jrq h ALA 693 N 2.63 2.41 0.00 7.88 0.00 -1.86 -0.82 119.26 129.50 1jrq h ALA 693 Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jrq h ALA 693 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jrq h ALA 693 CO 0.46 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 179.54 1jrq n GLU 694 N -4.40 0.13 -0.53 0.00 4.71 -1.26 -2.06 120.64 117.23 1jrq n GLU 694 Ca 0.10 0.59 0.10 0.00 -0.01 0.00 0.00 57.16 57.94 1jrq n GLU 694 Cb 0.57 -1.89 0.35 0.00 -1.01 0.00 0.00 31.44 29.46 1jrq n GLU 694 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1jrq n GLU 695 N -2.16 3.36 -4.24 3.49 1.02 -0.31 -4.63 120.64 117.16 1jrq n GLU 695 Ca -0.01 -2.82 -0.17 0.00 -0.02 0.00 0.00 57.16 54.15 1jrq n GLU 695 Cb 0.06 -1.77 -0.14 0.00 -0.02 0.00 0.00 31.44 29.57 1jrq n GLU 695 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1jrq s TRP 696 N -1.51 0.66 -1.29 -0.32 -0.11 -0.88 -2.91 118.94 112.59 1jrq s TRP 696 Ca 0.51 -0.17 0.20 0.00 1.22 0.00 0.00 56.10 57.86 1jrq s TRP 696 Cb 0.30 -0.42 0.98 0.00 -1.50 0.00 0.00 33.47 32.83 1jrq s TRP 696 CO 0.29 -0.02 1.65 -0.35 -4.62 0.00 0.00 176.95 173.90 1jrq n PRO 697 N 2.69 0.20 -3.97 5.86 -0.04 -1.26 -5.00 135.00 133.49 1jrq n PRO 697 Ca -0.14 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 1jrq n PRO 697 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1jrq n PRO 697 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1jrq s ILE 698 N -2.71 0.15 -0.19 0.52 2.07 -1.23 -4.64 121.20 115.16 1jrq s ILE 698 Ca 0.16 -0.06 -0.19 0.00 -1.41 0.00 0.00 60.65 59.15 1jrq s ILE 698 Cb 0.14 -0.14 -0.03 0.00 0.13 0.00 0.00 42.46 42.55 1jrq s ILE 698 CO 0.33 0.05 0.54 -0.32 -1.91 0.00 0.00 174.94 173.63 1jrq s MET 699 N 0.05 4.21 0.34 3.50 -2.45 -0.68 -4.59 119.30 119.69 1jrq s MET 699 Ca -0.00 0.46 -0.29 0.00 -1.25 0.00 0.00 55.69 54.61 1jrq s MET 699 Cb -0.02 -3.55 -0.12 0.00 1.25 0.00 0.00 34.83 32.39 1jrq s MET 699 CO -0.00 -0.14 1.47 -2.30 1.05 0.00 0.00 175.02 175.09 1jrq n PRO 700 N 4.73 2.51 -1.67 4.11 -0.02 -1.26 -3.93 135.00 139.48 1jrq n PRO 700 Ca -0.04 0.89 -0.47 0.00 -2.02 0.00 0.00 63.50 61.86 1jrq n PRO 700 Cb 0.50 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 1jrq n PRO 700 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jrq n THR 701 N 0.95 0.22 -4.44 3.45 -1.04 -1.26 -4.79 114.28 107.37 1jrq n THR 701 Ca 0.05 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 1jrq n THR 701 Cb 0.37 -1.69 -0.11 0.00 -1.82 0.00 0.00 70.33 67.09 1jrq n THR 701 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1jrq s GLU 702 N 2.09 3.22 0.15 -2.82 0.41 -0.20 -4.89 118.70 116.65 1jrq s GLU 702 Ca 0.84 -0.48 0.10 0.00 -0.41 0.00 0.00 54.97 55.01 1jrq s GLU 702 Cb -0.67 -2.80 -0.04 0.00 -1.78 0.00 0.00 34.13 28.84 1jrq s GLU 702 CO 0.42 0.50 -0.24 -1.58 -0.49 0.00 0.00 175.26 173.88 1jrq s TRP 703 N -0.35 2.13 0.01 1.61 0.52 -1.26 -0.48 118.94 121.12 1jrq s TRP 703 Ca 0.06 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.85 1jrq s TRP 703 Cb -0.12 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.07 1jrq s TRP 703 CO 0.02 0.36 -0.19 0.14 0.02 0.00 0.00 176.95 177.30 1jrq s VAL 704 N -1.39 1.49 0.07 4.03 -7.23 -0.61 -0.12 120.40 116.64 1jrq s VAL 704 Ca 0.15 -0.94 0.08 0.00 -1.81 0.00 0.00 61.98 59.45 1jrq s VAL 704 Cb -0.09 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 1jrq s VAL 704 CO 0.07 0.31 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.95 1jrq s HIS 705 N -0.59 1.84 0.10 2.82 0.09 0.25 -1.93 115.29 117.87 1jrq s HIS 705 Ca 0.07 -0.39 0.03 0.00 -0.00 0.00 0.00 55.06 54.77 1jrq s HIS 705 Cb -0.08 -1.06 -0.04 0.00 -0.00 0.00 0.00 32.58 31.41 1jrq s HIS 705 CO 0.00 0.14 -0.09 0.95 -0.00 0.00 0.00 174.74 175.74 1jrq s THR 706 N -0.94 0.90 -0.02 1.30 -4.23 -0.46 -0.48 115.64 111.71 1jrq s THR 706 Ca 0.07 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 58.74 1jrq s THR 706 Cb -0.09 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.31 1jrq s THR 706 CO 0.03 -0.64 0.26 -0.22 -0.54 0.00 0.00 174.62 173.51 1jrq s LEU 707 N -2.62 1.06 -0.20 4.79 2.96 -0.19 -1.85 118.68 122.63 1jrq s LEU 707 Ca 0.07 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1jrq s LEU 707 Cb -0.01 1.07 0.05 0.00 0.50 0.00 0.00 46.19 47.80 1jrq s LEU 707 CO -0.01 -0.39 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.84 1jrq s LEU 708 N -1.19 1.89 -0.06 -0.68 1.43 0.22 -0.63 118.68 119.66 1jrq s LEU 708 Ca -0.12 -0.89 0.05 0.00 -1.03 0.00 0.00 54.13 52.13 1jrq s LEU 708 Cb -0.06 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 1jrq s LEU 708 CO 0.03 -0.23 -0.21 -0.54 0.23 0.00 0.00 176.35 175.63 1jrq s LYS 709 N 1.59 2.62 0.25 1.70 1.02 -0.67 -0.65 119.74 125.59 1jrq s LYS 709 Ca -0.02 -0.84 -0.31 0.00 0.02 0.00 0.00 55.97 54.82 1jrq s LYS 709 Cb -0.17 -2.26 -0.11 0.00 -0.52 0.00 0.00 37.83 34.78 1jrq s LYS 709 CO -0.07 0.42 1.57 -1.25 -0.92 0.00 0.00 175.35 175.09 1jrq s PRO 710 N -0.24 4.18 -0.29 -1.68 0.04 -1.26 0.01 135.00 135.76 1jrq s PRO 710 Ca -0.01 2.47 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1jrq s PRO 710 Cb -0.13 -3.07 0.09 0.00 0.04 0.00 0.00 34.50 31.42 1jrq s PRO 710 CO 0.03 -0.59 0.04 -0.46 0.04 0.00 0.00 177.00 176.06 1jrq s TRP 711 N 0.34 2.34 -1.43 0.56 -0.11 0.24 -4.68 118.94 116.20 1jrq s TRP 711 Ca 0.65 -1.99 0.00 0.00 1.22 0.00 0.00 56.10 55.98 1jrq s TRP 711 Cb -0.46 -1.92 0.00 0.00 -1.50 0.00 0.00 33.47 29.59 1jrq s TRP 711 CO 0.42 -0.85 0.00 0.09 -4.62 0.00 0.00 176.95 171.99 1jrq n ASN 712 N 4.67 -5.04 0.09 5.86 3.02 -1.26 -1.50 115.26 121.09 1jrq n ASN 712 Ca -0.04 0.33 -0.08 0.00 -0.03 0.00 0.00 54.58 54.76 1jrq n ASN 712 Cb 0.43 -3.72 -0.00 0.00 -0.61 0.00 0.00 39.78 35.88 1jrq n ASN 712 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1jrq h PHE 713 N 0.00 0.27 -1.38 3.10 3.57 -1.84 -3.38 116.94 117.28 1jrq h PHE 713 Ca -0.27 -0.15 -0.52 0.00 3.53 0.00 0.00 57.97 60.56 1jrq h PHE 713 Cb 1.02 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 1jrq h PHE 713 CO 0.47 0.95 -0.39 -0.06 -2.23 0.00 0.00 178.31 177.05 1jrq s PHE 714 N -3.22 2.51 -1.33 0.41 0.08 -1.26 -4.88 117.98 110.28 1jrq s PHE 714 Ca -0.03 -0.57 0.18 0.00 0.12 0.00 0.00 56.93 56.63 1jrq s PHE 714 Cb 0.10 -2.08 -0.07 0.00 -0.57 0.00 0.00 43.02 40.40 1jrq s PHE 714 CO 0.82 -0.11 0.85 -0.25 -0.10 0.00 0.00 175.22 176.43 1jrq n ASP 715 N -1.51 1.40 -3.08 1.36 8.00 -1.26 -4.81 116.55 116.64 1jrq n ASP 715 Ca 0.02 -1.20 -0.06 0.00 0.71 0.00 0.00 54.79 54.26 1jrq n ASP 715 Cb 0.63 0.67 0.02 0.00 -0.02 0.00 0.00 41.12 42.42 1jrq n ASP 715 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1jrq s GLU 716 N -2.28 1.80 -0.19 -1.24 -1.05 -1.26 -4.95 118.70 109.53 1jrq s GLU 716 Ca 0.12 -1.17 -0.37 0.00 -0.15 0.00 0.00 54.97 53.39 1jrq s GLU 716 Cb 0.14 0.50 -0.14 0.00 -0.44 0.00 0.00 34.13 34.19 1jrq s GLU 716 CO 0.55 -0.85 1.83 2.41 0.95 0.00 0.00 175.26 180.15 1jrq n THR 717 N -0.63 0.44 0.27 1.83 -1.04 -1.26 -4.83 114.28 109.06 1jrq n THR 717 Ca -0.06 -0.09 0.12 0.00 -2.04 0.00 0.00 64.05 61.99 1jrq n THR 717 Cb 0.60 -1.56 0.76 0.00 -1.82 0.00 0.00 70.33 68.30 1jrq n THR 717 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1jrq h PRO 718 N 8.36 0.00 -0.57 -2.82 0.11 -1.97 -3.12 132.00 131.99 1jrq h PRO 718 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jrq h PRO 718 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1jrq h PRO 718 CO 0.96 0.06 0.00 0.25 -0.21 0.00 0.00 178.00 179.06 1jrq n THR 719 N -3.99 2.72 0.23 -1.15 -2.24 -1.26 -4.52 114.28 104.06 1jrq n THR 719 Ca -0.03 -1.42 0.07 0.00 -2.27 0.00 0.00 64.05 60.41 1jrq n THR 719 Cb 0.15 -0.26 0.56 0.00 -2.10 0.00 0.00 70.33 68.68 1jrq n THR 719 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jrq h LEU 720 N 3.94 0.00 0.00 3.22 3.38 -1.93 -3.49 115.31 120.43 1jrq h LEU 720 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jrq h LEU 720 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1jrq h LEU 720 CO 0.47 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.81 1jrq n GLY 721 N -0.80 1.60 3.74 0.83 0.00 -1.26 -5.01 105.19 104.28 1jrq n GLY 721 Ca -0.02 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 1jrq n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrq s ALA 722 N -1.67 3.49 -0.03 4.61 0.00 -1.26 -4.97 121.76 121.94 1jrq s ALA 722 Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1jrq s ALA 722 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.60 1jrq s ALA 722 CO 0.00 -0.47 1.62 -1.17 0.00 0.00 0.00 175.76 175.74 1jrq s LEU 723 N -0.06 4.33 0.10 0.00 2.96 -1.26 -4.90 118.68 119.85 1jrq s LEU 723 Ca 0.56 2.26 0.24 0.00 -0.22 0.00 0.00 54.13 56.96 1jrq s LEU 723 Cb -0.35 -3.54 0.93 0.00 0.50 0.00 0.00 46.19 43.74 1jrq s LEU 723 CO 0.37 -0.89 1.74 1.17 -1.32 0.00 0.00 176.35 177.41 1jrq n LYS 724 N 6.64 0.10 -4.33 1.98 4.81 -1.26 -4.88 118.16 121.22 1jrq n LYS 724 Ca 0.16 0.20 -0.17 0.00 -0.87 0.00 0.00 58.31 57.63 1jrq n LYS 724 Cb 0.42 -1.65 -0.10 0.00 0.02 0.00 0.00 35.03 33.73 1jrq n LYS 724 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1jrq s LYS 725 N -3.09 1.37 0.00 1.64 1.02 -1.26 -5.36 119.74 114.07 1jrq s LYS 725 Ca 0.10 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.37 1jrq s LYS 725 Cb 0.13 -0.50 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1jrq s LYS 725 CO 0.45 -0.17 0.00 -0.25 -0.92 0.00 0.00 175.35 174.46