#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrq s VAL 8 N 0.00 0.01 0.19 2.03 0.11 -0.19 -4.75 120.40 117.80 1jrq s VAL 8 Ca 0.00 -0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 58.64 1jrq s VAL 8 Cb 0.00 -0.85 -0.10 0.00 -1.53 0.00 0.00 36.38 33.90 1jrq s VAL 8 CO 0.00 -0.05 1.57 -2.16 -3.33 0.00 0.00 175.10 171.13 1jrq s PRO 9 N -0.57 4.21 0.01 1.54 0.04 -1.26 -1.57 135.00 137.40 1jrq s PRO 9 Ca -0.07 2.39 -0.26 0.00 0.04 0.00 0.00 61.00 63.10 1jrq s PRO 9 Cb -0.03 -3.13 -0.15 0.00 0.04 0.00 0.00 34.50 31.23 1jrq s PRO 9 CO 0.05 -0.60 1.12 1.98 0.04 0.00 0.00 177.00 179.59 1jrq h MET 10 N 6.49 -0.82 -0.59 4.56 4.05 -1.63 -1.44 114.93 125.55 1jrq h MET 10 Ca -0.43 0.06 0.12 0.00 -0.28 0.00 0.00 59.70 59.16 1jrq h MET 10 Cb 1.21 0.19 -0.11 0.00 -0.80 0.00 0.00 31.60 32.08 1jrq h MET 10 CO 0.90 -0.51 -0.17 -0.44 0.23 0.00 0.00 176.91 176.92 1jrq h ASP 11 N -1.16 -0.61 -0.07 1.39 3.32 -1.93 0.22 116.42 117.58 1jrq h ASP 11 Ca -0.09 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1jrq h ASP 11 Cb 0.68 0.39 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1jrq h ASP 11 CO 0.14 -0.21 0.02 0.50 -1.72 0.00 0.00 179.24 177.97 1jrq h LYS 12 N -0.02 0.10 -0.29 3.56 3.64 -1.96 -0.52 116.57 121.08 1jrq h LYS 12 Ca 0.28 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1jrq h LYS 12 Cb 0.45 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1jrq h LYS 12 CO -0.62 0.27 0.10 1.15 -2.27 0.00 0.00 179.45 178.08 1jrq h THR 13 N -0.08 1.19 -0.32 1.00 2.02 -0.56 -2.09 112.91 114.07 1jrq h THR 13 Ca 0.02 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1jrq h THR 13 Cb 0.21 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1jrq h THR 13 CO -0.00 0.20 0.03 -0.07 0.37 0.00 0.00 175.52 176.05 1jrq h LEU 14 N 0.32 0.53 -1.62 2.58 -0.00 -0.62 -1.90 115.31 114.59 1jrq h LEU 14 Ca 0.10 -0.28 -0.04 0.00 -0.00 0.00 0.00 57.88 57.65 1jrq h LEU 14 Cb 0.22 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1jrq h LEU 14 CO -0.01 0.68 -0.21 0.11 -0.00 0.00 0.00 178.44 179.02 1jrq h LYS 15 N 0.36 0.00 -0.22 1.13 1.57 -1.09 -0.45 116.57 117.87 1jrq h LYS 15 Ca 0.09 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1jrq h LYS 15 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1jrq h LYS 15 CO 0.01 0.21 -0.54 0.93 -0.57 0.00 0.00 179.45 179.49 1jrq h GLU 16 N 0.00 0.64 0.00 3.15 5.08 -1.06 -2.59 114.58 119.80 1jrq h GLU 16 Ca -0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1jrq h GLU 16 Cb 0.46 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1jrq h GLU 16 CO 0.03 1.02 0.00 0.35 -1.00 0.00 0.00 179.01 179.40 1jrq h PHE 17 N 0.50 0.00 0.00 4.33 3.57 -0.30 -3.46 116.94 121.57 1jrq h PHE 17 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1jrq h PHE 17 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1jrq h PHE 17 CO 0.05 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.54 1jrq n GLY 18 N -0.50 0.76 3.88 2.40 0.00 -0.68 -5.08 105.19 105.97 1jrq n GLY 18 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.07 3.35 -0.16 4.61 0.00 -0.80 -4.85 121.76 121.84 1jrq s ALA 19 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 1jrq s ALA 19 Cb 0.00 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 1jrq s ALA 19 CO 0.00 -0.04 0.26 0.34 0.00 0.00 0.00 175.76 176.32 1jrq s ASP 20 N -3.24 6.41 -0.22 0.00 2.15 0.19 -4.24 116.67 117.72 1jrq s ASP 20 Ca 0.51 0.47 -0.04 0.00 0.43 0.00 0.00 52.55 53.92 1jrq s ASP 20 Cb -0.10 -2.16 -0.01 0.00 -0.30 0.00 0.00 42.92 40.34 1jrq s ASP 20 CO 0.33 0.13 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.74 1jrq s VAL 21 N 0.33 3.54 -0.07 1.11 1.01 -1.26 -1.33 120.40 123.73 1jrq s VAL 21 Ca 0.15 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1jrq s VAL 21 Cb -0.13 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1jrq s VAL 21 CO 0.03 0.41 -0.21 -1.10 0.00 0.00 0.00 175.10 174.24 1jrq s GLN 22 N 1.42 2.44 -0.10 2.72 -0.21 0.19 -4.99 119.66 121.14 1jrq s GLN 22 Ca 0.05 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.69 1jrq s GLN 22 Cb -0.14 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.89 1jrq s GLN 22 CO -0.02 0.21 -0.14 -0.46 -2.12 0.00 0.00 175.29 172.77 1jrq s TRP 23 N 0.22 2.76 -0.28 0.91 -0.11 -1.26 0.01 118.94 121.19 1jrq s TRP 23 Ca -0.12 -0.49 0.01 0.00 1.22 0.00 0.00 56.10 56.72 1jrq s TRP 23 Cb -0.15 -1.76 0.06 0.00 -1.50 0.00 0.00 33.47 30.11 1jrq s TRP 23 CO 0.05 -0.09 -0.05 0.34 -4.62 0.00 0.00 176.95 172.58 1jrq s ASP 24 N -0.02 4.65 0.36 5.86 -1.08 0.18 -4.98 116.67 121.63 1jrq s ASP 24 Ca -0.04 -1.40 0.13 0.00 -0.52 0.00 0.00 52.55 50.73 1jrq s ASP 24 Cb -0.14 -1.62 0.67 0.00 -1.46 0.00 0.00 42.92 40.37 1jrq s ASP 24 CO 0.04 -0.23 1.78 -0.78 0.52 0.00 0.00 175.17 176.50 1jrq h ASP 25 N 7.86 0.00 -0.37 -0.34 3.58 -1.97 0.11 116.42 125.29 1jrq h ASP 25 Ca -0.19 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.15 1jrq h ASP 25 Cb 1.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 1jrq h ASP 25 CO 0.49 0.41 -0.19 0.22 -2.88 0.00 0.00 179.24 177.30 1jrq h TYR 26 N 0.00 0.90 -0.02 0.28 3.20 -1.97 -3.15 116.97 116.22 1jrq h TYR 26 Ca -0.00 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.64 1jrq h TYR 26 Cb 0.76 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1jrq h TYR 26 CO 0.00 0.97 -0.24 0.00 -1.64 0.00 0.00 178.16 177.25 1jrq n ALA 27 N -2.48 3.05 -3.80 1.82 0.00 -1.19 -4.94 120.51 112.96 1jrq n ALA 27 Ca -0.02 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.64 1jrq n ALA 27 Cb 0.42 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 0.09 -4.39 -4.47 0.00 1.13 0.28 -4.96 117.38 105.06 1jrq n GLN 28 Ca 0.13 0.54 -0.21 0.00 -1.94 0.00 0.00 57.00 55.52 1jrq n GLN 28 Cb 0.44 -4.98 -0.16 0.00 0.11 0.00 0.00 30.24 25.65 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 -6.81 1.80 -0.12 1.08 1.98 -0.65 -4.29 118.68 111.66 1jrq s LEU 29 Ca 0.05 -0.22 -0.09 0.00 -2.89 0.00 0.00 54.13 50.99 1jrq s LEU 29 Cb -0.03 -0.63 -0.04 0.00 0.66 0.00 0.00 46.19 46.15 1jrq s LEU 29 CO 0.84 0.08 0.17 -0.36 -1.89 0.00 0.00 176.35 175.19 1jrq s PHE 30 N 0.19 3.57 -0.20 5.38 0.08 -0.57 -0.65 117.98 125.78 1jrq s PHE 30 Ca -0.04 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.57 1jrq s PHE 30 Cb -0.09 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1jrq s PHE 30 CO 0.01 0.62 -0.17 0.99 -0.10 0.00 0.00 175.22 176.57 1jrq s THR 31 N -0.71 2.15 -0.16 0.64 2.01 0.10 -1.77 115.64 117.91 1jrq s THR 31 Ca 0.15 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.04 1jrq s THR 31 Cb -0.12 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 1jrq s THR 31 CO 0.04 0.39 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.51 1jrq s LEU 32 N 1.25 2.85 -0.03 4.42 1.02 0.61 -0.63 118.68 128.17 1jrq s LEU 32 Ca 0.02 -0.31 0.02 0.00 0.02 0.00 0.00 54.13 53.87 1jrq s LEU 32 Cb -0.15 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.40 1jrq s LEU 32 CO -0.11 0.12 -0.06 -0.63 0.02 0.00 0.00 176.35 175.69 1jrq s ILE 33 N 0.61 0.60 -0.28 -0.59 1.01 -0.44 -0.48 121.20 121.63 1jrq s ILE 33 Ca -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 1jrq s ILE 33 Cb -0.15 -0.57 0.17 0.00 0.01 0.00 0.00 42.46 41.92 1jrq s ILE 33 CO 0.03 0.21 0.51 -0.75 0.00 0.00 0.00 174.94 174.94 1jrq s LYS 34 N 0.44 0.48 5.46 2.79 2.20 -0.81 0.56 119.74 130.86 1jrq s LYS 34 Ca -0.06 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1jrq s LYS 34 Cb -0.10 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1jrq s LYS 34 CO 0.00 -0.62 0.00 -0.25 -0.36 0.00 0.00 175.35 174.12 1jrq n ASP 35 N 5.40 0.00 -0.05 1.43 8.00 -1.26 -1.16 116.55 128.90 1jrq n ASP 35 Ca -0.02 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.62 1jrq n ASP 35 Cb 0.51 0.00 0.67 0.00 -0.02 0.00 0.00 41.12 42.27 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 -1.13 3.68 0.44 0.00 -1.26 -4.82 105.19 102.10 1jrq n GLY 36 Ca 0.00 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.56 3.52 -0.32 4.61 0.00 -0.31 -4.50 121.76 122.20 1jrq s ALA 37 Ca 0.27 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.94 1jrq s ALA 37 Cb 0.20 -2.80 0.10 0.00 0.00 0.00 0.00 23.12 20.61 1jrq s ALA 37 CO 0.48 -0.34 0.07 -0.47 0.00 0.00 0.00 175.76 175.49 1jrq s TYR 38 N 1.41 2.64 -0.02 0.00 6.14 -1.26 -1.92 117.35 124.34 1jrq s TYR 38 Ca 0.26 -2.28 0.02 0.00 0.64 0.00 0.00 57.07 55.71 1jrq s TYR 38 Cb -0.15 -2.22 -0.03 0.00 0.42 0.00 0.00 41.96 39.97 1jrq s TYR 38 CO 0.10 -0.90 -0.06 0.08 0.64 0.00 0.00 175.55 175.42 1jrq s VAL 39 N 1.29 3.76 -0.08 3.14 1.01 0.36 -0.70 120.40 129.19 1jrq s VAL 39 Ca 0.09 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1jrq s VAL 39 Cb -0.18 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.60 1jrq s VAL 39 CO -0.16 0.45 -0.13 -0.54 0.00 0.00 0.00 175.10 174.72 1jrq s LYS 40 N -1.26 1.88 -0.10 2.72 1.02 0.36 -0.28 119.74 124.09 1jrq s LYS 40 Ca 0.16 -0.46 -0.06 0.00 0.02 0.00 0.00 55.97 55.62 1jrq s LYS 40 Cb -0.11 -1.57 0.04 0.00 -0.52 0.00 0.00 37.83 35.67 1jrq s LYS 40 CO 0.06 0.01 0.24 0.54 -0.92 0.00 0.00 175.35 175.27 1jrq s VAL 41 N 0.76 -0.03 -0.08 3.17 0.11 -0.73 -0.60 120.40 123.00 1jrq s VAL 41 Ca -0.12 0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1jrq s VAL 41 Cb -0.16 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1jrq s VAL 41 CO 0.03 0.04 0.09 -0.54 -3.33 0.00 0.00 175.10 171.39 1jrq s LYS 42 N 0.86 3.24 0.46 1.54 1.02 -1.26 -1.51 119.74 124.09 1jrq s LYS 42 Ca -0.06 -0.28 -0.25 0.00 0.02 0.00 0.00 55.97 55.40 1jrq s LYS 42 Cb -0.07 -3.01 -0.08 0.00 -0.52 0.00 0.00 37.83 34.14 1jrq s LYS 42 CO -0.05 0.73 1.37 -2.30 -0.92 0.00 0.00 175.35 174.18 1jrq n PRO 43 N 1.84 2.05 -0.26 -1.68 -0.02 -1.26 -1.60 135.00 134.07 1jrq n PRO 43 Ca -0.18 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1jrq n PRO 43 Cb 0.54 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.68 1.48 3.78 -1.23 0.00 0.62 -4.93 105.19 105.58 1jrq n GLY 44 Ca 0.07 0.00 -0.37 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 -2.45 3.15 -1.41 4.61 0.00 -0.63 -4.90 121.76 120.13 1jrq s ALA 45 Ca 0.00 0.76 0.29 0.00 0.00 0.00 0.00 51.96 53.00 1jrq s ALA 45 Cb 0.00 -3.29 1.23 0.00 0.00 0.00 0.00 23.12 21.06 1jrq s ALA 45 CO 0.00 -0.22 1.87 1.04 0.00 0.00 0.00 175.76 178.45 1jrq n GLN 46 N 0.20 0.43 -4.16 0.00 6.02 -1.26 -4.41 117.38 114.20 1jrq n GLN 46 Ca 0.04 -0.11 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 1jrq n GLN 46 Cb 0.48 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.15 1jrq n GLN 46 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1jrq s THR 47 N -2.64 0.05 0.26 5.09 -4.23 -1.26 -1.12 115.64 111.78 1jrq s THR 47 Ca 0.24 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1jrq s THR 47 Cb 0.20 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1jrq s THR 47 CO 0.50 -0.23 0.16 0.00 -0.54 0.00 0.00 174.62 174.51 1jrq s ALA 48 N -4.09 1.62 -0.09 3.99 0.00 -0.28 -4.63 121.76 118.28 1jrq s ALA 48 Ca 0.31 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.51 1jrq s ALA 48 Cb 0.07 1.27 0.00 0.00 0.00 0.00 0.00 23.12 24.46 1jrq s ALA 48 CO 0.07 -0.55 -0.21 0.42 0.00 0.00 0.00 175.76 175.48 1jrq s ILE 49 N -3.81 1.81 -0.19 0.00 -1.09 0.23 -0.83 121.20 117.31 1jrq s ILE 49 Ca 0.38 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.92 1jrq s ILE 49 Cb 0.06 -1.57 0.04 0.00 -1.58 0.00 0.00 42.46 39.41 1jrq s ILE 49 CO 0.16 0.51 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.59 1jrq s VAL 50 N 0.36 1.55 -1.43 2.92 1.01 -0.10 -0.49 120.40 124.22 1jrq s VAL 50 Ca -0.16 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.84 1jrq s VAL 50 Cb -0.17 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1jrq s VAL 50 CO 0.07 0.16 0.54 0.59 0.00 0.00 0.00 175.10 176.46 1jrq n ASN 51 N 4.72 -1.07 0.00 3.32 5.03 0.13 -1.09 115.26 126.29 1jrq n ASN 51 Ca -0.14 -0.96 0.00 0.00 0.87 0.00 0.00 54.58 54.35 1jrq n ASN 51 Cb 0.47 -3.24 0.00 0.00 -1.02 0.00 0.00 39.78 35.99 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 -1.84 0.75 3.38 7.41 0.00 -1.19 -4.59 105.19 109.11 1jrq n GLY 52 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.22 2.70 0.32 1.61 -1.52 -0.25 -5.09 119.66 117.21 1jrq s GLN 53 Ca 0.00 -0.77 -0.29 0.00 -1.95 0.00 0.00 55.36 52.34 1jrq s GLN 53 Cb 0.00 -2.35 -0.11 0.00 -0.22 0.00 0.00 33.01 30.33 1jrq s GLN 53 CO 0.00 0.45 1.53 -2.14 -0.25 0.00 0.00 175.29 174.88 1jrq s PRO 54 N -0.29 4.14 -0.06 2.91 0.02 -1.26 -0.93 135.00 139.53 1jrq s PRO 54 Ca 0.01 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 63.56 1jrq s PRO 54 Cb -0.13 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.40 1jrq s PRO 54 CO 0.03 -0.55 -0.03 -1.17 -0.33 0.00 0.00 177.00 174.94 1jrq s LEU 55 N -1.08 1.02 0.09 -5.54 2.96 -0.01 -4.90 118.68 111.23 1jrq s LEU 55 Ca 0.59 -0.12 -0.30 0.00 -0.22 0.00 0.00 54.13 54.07 1jrq s LEU 55 Cb -0.46 -0.47 -0.06 0.00 0.50 0.00 0.00 46.19 45.70 1jrq s LEU 55 CO 0.53 -0.11 1.06 0.00 -1.32 0.00 0.00 176.35 176.50 1jrq s ALA 56 N 1.40 3.29 -0.03 5.97 0.00 -1.26 -1.13 121.76 130.00 1jrq s ALA 56 Ca -0.03 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 1jrq s ALA 56 Cb -0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 1jrq s ALA 56 CO -0.03 -0.21 0.16 -0.51 0.00 0.00 0.00 175.76 175.17 1jrq s LEU 57 N 0.35 4.29 -0.01 0.00 1.43 -0.28 -4.93 118.68 119.52 1jrq s LEU 57 Ca 0.51 0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.73 1jrq s LEU 57 Cb -0.26 -2.45 -0.21 0.00 0.03 0.00 0.00 46.19 43.29 1jrq s LEU 57 CO 0.31 0.29 1.12 1.56 0.23 0.00 0.00 176.35 179.86 1jrq h GLN 58 N 4.09 0.29 -4.32 1.70 4.20 -1.96 -3.43 115.11 115.68 1jrq h GLN 58 Ca -0.50 -0.27 -0.59 0.00 0.06 0.00 0.00 58.65 57.35 1jrq h GLN 58 Cb 1.19 0.07 -0.38 0.00 0.30 0.00 0.00 27.48 28.66 1jrq h GLN 58 CO 0.66 0.94 -0.79 0.08 -0.67 0.00 0.00 178.83 179.04 1jrq s VAL 59 N -3.42 1.38 0.77 -0.54 1.01 -1.26 -5.13 120.40 113.22 1jrq s VAL 59 Ca -0.15 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.74 1jrq s VAL 59 Cb 0.03 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1jrq s VAL 59 CO 0.77 0.04 0.89 -2.65 0.00 0.00 0.00 175.10 174.16 1jrq n PRO 60 N 4.76 0.29 -2.34 2.72 -0.02 -1.26 -4.65 135.00 134.50 1jrq n PRO 60 Ca -0.13 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 1jrq n PRO 60 Cb 0.46 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1jrq n PRO 60 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jrq s VAL 61 N -1.99 3.31 -0.10 -1.45 1.01 -1.26 -4.81 120.40 115.11 1jrq s VAL 61 Ca 0.70 1.22 0.03 0.00 0.00 0.00 0.00 61.98 63.93 1jrq s VAL 61 Cb -0.32 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1jrq s VAL 61 CO 0.54 0.25 -0.20 0.68 0.00 0.00 0.00 175.10 176.37 1jrq s VAL 62 N -0.70 2.50 -0.36 2.92 -7.23 0.45 -0.28 120.40 117.70 1jrq s VAL 62 Ca 0.49 -0.88 -0.18 0.00 -1.81 0.00 0.00 61.98 59.60 1jrq s VAL 62 Cb -0.34 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 1jrq s VAL 62 CO 0.42 0.55 0.50 -0.04 -0.31 0.00 0.00 175.10 176.23 1jrq s MET 63 N 0.12 3.56 0.00 4.82 -1.94 -1.26 0.11 119.30 124.70 1jrq s MET 63 Ca -0.10 -0.24 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1jrq s MET 63 Cb -0.16 -3.83 0.00 0.00 2.01 0.00 0.00 34.83 32.86 1jrq s MET 63 CO 0.06 -0.67 0.00 1.17 -0.01 0.00 0.00 175.02 175.57 1jrq n LYS 64 N 5.73 0.00 -1.59 2.03 0.00 0.37 -4.77 118.16 119.93 1jrq n LYS 64 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.86 1jrq n LYS 64 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.50 1jrq n LYS 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1jrq n ASP 65 N 0.00 7.49 -1.42 3.14 2.03 -1.26 -4.41 116.55 122.12 1jrq n ASP 65 Ca 0.00 -2.77 -0.17 0.00 0.52 0.00 0.00 54.79 52.37 1jrq n ASP 65 Cb 0.00 -1.54 -0.06 0.00 -0.72 0.00 0.00 41.12 38.80 1jrq n ASP 65 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1jrq n ASN 66 N 3.71 -5.08 -4.09 1.67 4.13 -1.26 -4.97 115.26 109.36 1jrq n ASN 66 Ca 0.68 0.37 -0.23 0.00 1.68 0.00 0.00 54.58 57.08 1jrq n ASN 66 Cb 0.27 -4.12 -0.16 0.00 -1.54 0.00 0.00 39.78 34.24 1jrq n ASN 66 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1jrq s LYS 67 N -3.66 1.33 0.37 3.52 1.02 -1.26 -5.14 119.74 115.91 1jrq s LYS 67 Ca 0.00 -0.50 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 1jrq s LYS 67 Cb 0.00 -1.22 -0.08 0.00 -0.52 0.00 0.00 37.83 36.01 1jrq s LYS 67 CO 0.00 0.24 0.76 0.00 -0.92 0.00 0.00 175.35 175.43 1jrq s ALA 68 N -0.09 3.33 0.02 5.17 0.00 -1.26 -0.48 121.76 128.45 1jrq s ALA 68 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1jrq s ALA 68 Cb -0.08 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1jrq s ALA 68 CO 0.01 0.16 -0.10 -1.58 0.00 0.00 0.00 175.76 174.25 1jrq s TRP 69 N -2.18 0.86 0.09 0.00 0.52 0.29 -1.59 118.94 116.94 1jrq s TRP 69 Ca 0.53 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.41 1jrq s TRP 69 Cb -0.10 -0.53 -0.04 0.00 -1.15 0.00 0.00 33.47 31.65 1jrq s TRP 69 CO 0.24 -0.01 -0.07 0.14 0.02 0.00 0.00 176.95 177.27 1jrq s VAL 70 N -0.60 0.73 0.99 4.03 -7.23 -0.61 -0.41 120.40 117.30 1jrq s VAL 70 Ca 0.00 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.28 1jrq s VAL 70 Cb -0.06 -1.50 0.18 0.00 0.56 0.00 0.00 36.38 35.57 1jrq s VAL 70 CO 0.00 -0.76 1.10 -0.94 -0.31 0.00 0.00 175.10 174.19 1jrq s SER 71 N -2.77 2.44 0.00 4.85 1.04 -1.26 -1.03 113.70 116.97 1jrq s SER 71 Ca 0.08 1.85 0.22 0.00 0.48 0.00 0.00 55.95 58.58 1jrq s SER 71 Cb 0.02 -2.42 1.17 0.00 0.10 0.00 0.00 66.02 64.89 1jrq s SER 71 CO -0.03 -3.35 1.68 -0.90 0.98 0.00 0.00 173.24 171.62 1jrq n ASP 72 N -4.37 0.00 -0.51 7.02 5.75 -1.26 -2.19 116.55 120.98 1jrq n ASP 72 Ca 0.08 -0.29 0.06 0.00 -0.01 0.00 0.00 54.79 54.63 1jrq n ASP 72 Cb 0.53 -0.17 0.06 0.00 -1.03 0.00 0.00 41.12 40.51 1jrq n ASP 72 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1jrq n THR 73 N -1.17 0.07 0.04 2.12 5.66 -1.26 -4.76 114.28 114.98 1jrq n THR 73 Ca 0.13 -0.53 -0.14 0.00 -3.05 0.00 0.00 64.05 60.46 1jrq n THR 73 Cb 0.13 1.21 -0.09 0.00 -1.55 0.00 0.00 70.33 70.03 1jrq n THR 73 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1jrq h PHE 74 N 2.43 -1.37 -0.41 1.09 3.57 -1.78 -0.36 116.94 120.11 1jrq h PHE 74 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1jrq h PHE 74 Cb 0.53 0.60 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 1jrq h PHE 74 CO 0.02 -0.50 -0.32 0.82 -2.23 0.00 0.00 178.31 176.11 1jrq h ILE 75 N -0.58 0.24 -0.21 1.41 2.04 -1.86 0.75 117.51 119.30 1jrq h ILE 75 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1jrq h ILE 75 Cb 0.62 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1jrq h ILE 75 CO -0.31 0.00 0.14 -1.13 0.00 0.00 0.00 178.15 176.84 1jrq h ASN 76 N -0.24 0.24 -0.91 1.72 -0.73 -1.87 0.19 115.58 113.99 1jrq h ASN 76 Ca 0.18 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.33 1jrq h ASN 76 Cb 0.53 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 39.02 1jrq h ASN 76 CO -0.54 0.19 0.54 0.44 -0.37 0.00 0.00 177.43 177.68 1jrq h ASP 77 N 0.28 1.09 0.00 1.15 3.32 -0.40 -1.84 116.42 120.03 1jrq h ASP 77 Ca 0.08 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jrq h ASP 77 Cb -0.02 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.25 1jrq h ASP 77 CO -0.02 0.85 -0.35 0.58 -1.72 0.00 0.00 179.24 178.58 1jrq h VAL 78 N 1.25 0.00 0.00 -1.35 2.07 -0.76 -3.17 116.25 114.29 1jrq h VAL 78 Ca 0.32 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1jrq h VAL 78 Cb -0.04 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1jrq h VAL 78 CO -0.06 0.00 -0.12 -0.26 0.02 0.00 0.00 177.57 177.15 1jrq h PHE 79 N -0.90 0.00 -0.17 1.57 0.04 -0.76 -2.76 116.94 113.95 1jrq h PHE 79 Ca 0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1jrq h PHE 79 Cb 0.35 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1jrq h PHE 79 CO -0.15 0.12 -0.09 1.04 -0.60 0.00 0.00 178.31 178.63 1jrq n GLN 80 N -3.61 1.97 0.16 1.51 3.00 -0.69 -4.71 117.38 115.00 1jrq n GLN 80 Ca -0.02 -2.91 0.03 0.00 -0.01 0.00 0.00 57.00 54.09 1jrq n GLN 80 Cb 0.24 -1.70 0.41 0.00 0.00 0.00 0.00 30.24 29.20 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 0.95 0.13 0.00 1.08 4.64 -1.46 -3.47 113.55 115.41 1jrq h SER 81 Ca 0.05 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jrq h SER 81 Cb 1.30 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1jrq h SER 81 CO 0.16 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 1jrq n GLY 82 N -0.84 1.51 0.22 -0.77 0.00 -1.26 -4.94 105.19 99.11 1jrq n GLY 82 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -8.42 0.99 3.38 -1.90 -3.37 115.31 106.00 1jrq h LEU 83 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1jrq h LEU 83 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 1jrq h LEU 83 CO 0.00 0.22 0.33 -0.62 0.09 0.00 0.00 178.44 178.46 1jrq s ASP 84 N -6.17 6.27 0.00 -0.43 2.15 -1.26 -4.77 116.67 112.46 1jrq s ASP 84 Ca 0.01 -0.68 0.15 0.00 0.43 0.00 0.00 52.55 52.46 1jrq s ASP 84 Cb 0.10 -2.37 0.46 0.00 -0.30 0.00 0.00 42.92 40.80 1jrq s ASP 84 CO 0.64 -1.10 1.36 0.00 -0.17 0.00 0.00 175.17 175.90 1jrq n GLN 85 N 6.90 1.89 -0.11 4.34 6.02 -1.26 -4.45 117.38 130.71 1jrq n GLN 85 Ca -0.03 -1.37 -0.05 0.00 -0.01 0.00 0.00 57.00 55.55 1jrq n GLN 85 Cb 0.46 -1.34 0.02 0.00 1.02 0.00 0.00 30.24 30.41 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 2.36 0.69 -3.10 5.09 2.02 -1.89 -3.41 112.91 114.68 1jrq h THR 86 Ca 0.00 -0.03 -0.65 0.00 0.77 0.00 0.00 66.41 66.50 1jrq h THR 86 Cb 0.53 0.61 -0.13 0.00 -1.74 0.00 0.00 68.15 67.42 1jrq h THR 86 CO 0.00 0.01 -0.55 -0.36 0.37 0.00 0.00 175.52 174.99 1jrq s PHE 87 N -6.19 3.34 0.13 3.16 0.08 -1.26 -0.14 117.98 117.10 1jrq s PHE 87 Ca -0.13 0.26 0.10 0.00 0.12 0.00 0.00 56.93 57.27 1jrq s PHE 87 Cb 0.14 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1jrq s PHE 87 CO 0.71 0.43 -0.23 -0.65 -0.10 0.00 0.00 175.22 175.38 1jrq s GLN 88 N -0.43 1.29 0.36 0.44 -1.52 0.03 -4.91 119.66 114.91 1jrq s GLN 88 Ca 0.10 -1.30 -0.27 0.00 -1.95 0.00 0.00 55.36 51.94 1jrq s GLN 88 Cb -0.12 -1.62 -0.09 0.00 -0.22 0.00 0.00 33.01 30.96 1jrq s GLN 88 CO 0.02 0.37 1.22 0.14 -0.25 0.00 0.00 175.29 176.79 1jrq s VAL 89 N -1.28 2.99 -0.53 1.09 -7.23 -1.26 -3.62 120.40 110.56 1jrq s VAL 89 Ca 0.12 0.92 -0.14 0.00 -1.81 0.00 0.00 61.98 61.06 1jrq s VAL 89 Cb -0.09 -3.55 0.13 0.00 0.56 0.00 0.00 36.38 33.42 1jrq s VAL 89 CO 0.06 0.16 0.46 -0.70 -0.31 0.00 0.00 175.10 174.77 1jrq s GLU 90 N -1.99 2.86 0.21 4.82 2.12 -1.26 -4.82 118.70 120.63 1jrq s GLU 90 Ca 0.52 -1.74 0.07 0.00 0.36 0.00 0.00 54.97 54.18 1jrq s GLU 90 Cb -0.35 -4.20 0.12 0.00 0.26 0.00 0.00 34.13 29.97 1jrq s GLU 90 CO 0.45 -1.29 1.47 0.87 -0.54 0.00 0.00 175.26 176.22 1jrq h LYS 91 N 8.74 0.06 -4.06 4.30 1.57 -1.98 -3.40 116.57 121.80 1jrq h LYS 91 Ca -0.27 -0.06 -0.63 0.00 -1.87 0.00 0.00 60.65 57.82 1jrq h LYS 91 Cb 1.09 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.02 1jrq h LYS 91 CO 0.98 0.80 -0.72 1.03 -0.57 0.00 0.00 179.45 180.97 1jrq s ARG 92 N -3.30 1.27 0.22 3.15 0.52 -1.26 -5.10 118.95 114.44 1jrq s ARG 92 Ca -0.01 -1.71 -0.32 0.00 -0.52 0.00 0.00 55.73 53.17 1jrq s ARG 92 Cb 0.11 -2.76 -0.13 0.00 0.52 0.00 0.00 34.95 32.69 1jrq s ARG 92 CO 0.79 -0.99 1.55 -0.35 0.02 0.00 0.00 175.30 176.32 1jrq n PRO 93 N 4.27 2.30 -2.03 3.54 -0.04 -1.26 -4.94 135.00 136.84 1jrq n PRO 93 Ca 0.03 0.83 -0.40 0.00 -0.04 0.00 0.00 63.50 63.91 1jrq n PRO 93 Cb 0.40 -2.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.28 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 0.45 2.89 -0.58 0.54 2.46 -1.26 -4.88 115.29 114.93 1jrq s HIS 94 Ca 0.72 1.36 0.15 0.00 0.47 0.00 0.00 55.06 57.76 1jrq s HIS 94 Cb -0.61 -3.75 0.74 0.00 -0.13 0.00 0.00 32.58 28.83 1jrq s HIS 94 CO 0.43 -2.16 1.46 -0.35 -2.47 0.00 0.00 174.74 171.65 1jrq n PRO 95 N 0.57 0.09 -0.21 2.88 -0.04 -1.26 -1.56 135.00 135.47 1jrq n PRO 95 Ca 0.01 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 1jrq n PRO 95 Cb 0.42 -1.76 0.22 0.00 -0.04 0.00 0.00 33.50 32.34 1jrq n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jrq n LEU 96 N -1.95 3.47 -4.66 1.53 4.77 -1.26 -4.70 117.00 114.20 1jrq n LEU 96 Ca 0.00 -1.57 -0.45 0.00 -0.03 0.00 0.00 56.01 53.96 1jrq n LEU 96 Cb 0.08 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1jrq n LEU 96 CO 0.09 0.77 0.96 0.59 -1.33 0.00 0.00 177.39 178.47 1jrq n ASN 97 N 1.45 2.55 -4.70 -1.43 5.03 -0.60 -4.90 115.26 112.65 1jrq n ASN 97 Ca 0.19 1.15 -0.31 0.00 0.87 0.00 0.00 54.58 56.49 1jrq n ASN 97 Cb 0.59 -1.40 0.14 0.00 -1.02 0.00 0.00 39.78 38.09 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 -0.18 1.62 0.28 5.41 0.00 -1.26 -4.91 121.76 122.73 1jrq s ALA 98 Ca 0.68 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 1jrq s ALA 98 Cb -0.67 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.02 1jrq s ALA 98 CO 0.51 -2.39 1.58 1.28 0.00 0.00 0.00 175.76 176.74 1jrq n LEU 99 N -3.95 4.18 -4.93 0.00 4.77 -1.26 -4.97 117.00 110.85 1jrq n LEU 99 Ca 0.09 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 56.92 1jrq n LEU 99 Cb 0.53 -1.57 0.14 0.00 -2.33 0.00 0.00 43.42 40.20 1jrq n LEU 99 CO 0.53 0.07 0.81 0.42 -1.33 0.00 0.00 177.39 177.89 1jrq s THR 100 N 0.03 2.03 0.20 -5.08 -4.23 -1.26 -4.83 115.64 102.50 1jrq s THR 100 Ca 0.65 -0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.00 1jrq s THR 100 Cb -0.52 -2.97 0.14 0.00 1.34 0.00 0.00 72.50 70.49 1jrq s THR 100 CO 0.48 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 176.39 1jrq h ALA 101 N -1.32 0.94 -0.65 3.99 0.00 -1.94 -1.19 119.26 119.07 1jrq h ALA 101 Ca -0.44 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1jrq h ALA 101 Cb 1.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1jrq h ALA 101 CO 0.48 0.44 0.17 -0.44 0.00 0.00 0.00 179.25 179.89 1jrq h ASP 102 N 1.01 0.98 -0.29 0.00 3.32 -1.99 -1.99 116.42 117.45 1jrq h ASP 102 Ca 0.26 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1jrq h ASP 102 Cb 0.01 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1jrq h ASP 102 CO -0.04 0.96 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.06 1jrq h GLU 103 N 0.96 0.66 -0.40 3.56 5.08 -1.81 0.44 114.58 123.08 1jrq h GLU 103 Ca 0.21 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1jrq h GLU 103 Cb 0.35 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1jrq h GLU 103 CO 0.00 0.71 0.03 0.82 -1.00 0.00 0.00 179.01 179.57 1jrq h ILE 104 N 0.62 1.25 -0.35 3.13 2.04 -0.97 0.15 117.51 123.39 1jrq h ILE 104 Ca 0.12 -0.95 -0.13 0.00 1.00 0.00 0.00 64.86 64.90 1jrq h ILE 104 Cb 0.46 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1jrq h ILE 104 CO 0.02 0.32 -0.29 0.11 0.00 0.00 0.00 178.15 178.32 1jrq h LYS 105 N 0.52 0.74 -0.30 2.37 1.57 -1.09 -2.05 116.57 118.32 1jrq h LYS 105 Ca 0.12 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1jrq h LYS 105 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1jrq h LYS 105 CO 0.02 0.94 -0.01 0.37 -0.57 0.00 0.00 179.45 180.19 1jrq h GLN 106 N 0.63 0.54 -0.80 3.15 4.15 -0.66 -1.18 115.11 120.94 1jrq h GLN 106 Ca 0.08 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 1jrq h GLN 106 Cb 0.81 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.41 1jrq h GLN 106 CO 0.07 0.69 0.48 0.00 -1.93 0.00 0.00 178.83 178.14 1jrq h ALA 107 N 0.83 1.33 -0.36 3.38 0.00 -0.60 -0.97 119.26 122.87 1jrq h ALA 107 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jrq h ALA 107 Cb 0.46 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1jrq h ALA 107 CO 0.02 0.57 0.06 0.28 0.00 0.00 0.00 179.25 180.18 1jrq h VAL 108 N 1.10 1.24 -0.77 0.00 2.07 -1.19 -2.59 116.25 116.11 1jrq h VAL 108 Ca 0.29 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1jrq h VAL 108 Cb -0.04 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1jrq h VAL 108 CO -0.05 0.28 0.41 -0.33 0.02 0.00 0.00 177.57 177.89 1jrq h GLU 109 N 0.44 1.08 -0.03 1.57 5.08 -0.54 -0.99 114.58 121.19 1jrq h GLU 109 Ca 0.11 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1jrq h GLU 109 Cb 0.36 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1jrq h GLU 109 CO 0.01 0.81 -0.08 0.82 -1.00 0.00 0.00 179.01 179.57 1jrq h ILE 110 N 1.07 0.80 -0.08 3.13 2.04 -0.98 -0.83 117.51 122.65 1jrq h ILE 110 Ca 0.27 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.02 1jrq h ILE 110 Cb 0.06 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1jrq h ILE 110 CO -0.04 0.00 -0.45 -0.37 0.00 0.00 0.00 178.15 177.29 1jrq h VAL 111 N -0.12 1.33 0.00 1.67 -1.51 -1.35 -2.76 116.25 113.51 1jrq h VAL 111 Ca 0.04 -1.60 -0.04 0.00 -1.23 0.00 0.00 66.70 63.88 1jrq h VAL 111 Cb 0.17 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1jrq h VAL 111 CO -0.10 0.47 -0.17 0.11 -1.23 0.00 0.00 177.57 176.65 1jrq h LYS 112 N 0.15 0.00 0.00 5.19 1.57 -0.70 -2.66 116.57 120.13 1jrq h LYS 112 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1jrq h LYS 112 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1jrq h LYS 112 CO 0.07 0.17 0.00 0.00 -0.57 0.00 0.00 179.45 179.12 1jrq n ALA 113 N -2.22 2.09 -1.78 3.86 0.00 -0.36 -4.82 120.51 117.28 1jrq n ALA 113 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1jrq n ALA 113 Cb 0.37 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 -4.34 7.31 0.00 0.00 0.15 -1.00 -4.93 113.70 110.90 1jrq s SER 114 Ca 0.09 1.84 0.15 0.00 0.70 0.00 0.00 55.95 58.73 1jrq s SER 114 Cb 0.12 -2.58 0.66 0.00 -1.71 0.00 0.00 66.02 62.51 1jrq s SER 114 CO 0.53 -0.09 1.49 0.00 1.20 0.00 0.00 173.24 176.36 1jrq n ALA 115 N 0.52 1.71 0.54 5.45 0.00 -1.26 -2.27 120.51 125.20 1jrq n ALA 115 Ca 0.02 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.53 1jrq n ALA 115 Cb 0.50 -1.25 0.22 0.00 0.00 0.00 0.00 19.45 18.92 1jrq n ALA 115 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jrq h ASP 116 N 0.00 0.00 -2.62 0.00 3.32 -1.91 -3.45 116.42 111.76 1jrq h ASP 116 Ca 0.00 -0.14 -0.54 0.00 0.02 0.00 0.00 57.03 56.37 1jrq h ASP 116 Cb 0.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.81 1jrq h ASP 116 CO 0.00 0.07 1.06 0.12 -1.72 0.00 0.00 179.24 178.77 1jrq s PHE 117 N -3.17 2.09 0.07 4.55 2.19 -0.96 -5.00 117.98 117.76 1jrq s PHE 117 Ca 0.07 0.16 -0.10 0.00 0.33 0.00 0.00 56.93 57.39 1jrq s PHE 117 Cb 0.12 -3.98 -0.06 0.00 -1.31 0.00 0.00 43.02 37.79 1jrq s PHE 117 CO 0.69 -4.09 0.40 0.15 1.83 0.00 0.00 175.22 174.20 1jrq s LYS 118 N 3.42 3.76 0.14 10.12 -0.14 -1.26 -5.02 119.74 130.76 1jrq s LYS 118 Ca 0.76 0.18 -0.10 0.00 -1.36 0.00 0.00 55.97 55.45 1jrq s LYS 118 Cb -0.38 -3.01 0.16 0.00 -1.68 0.00 0.00 37.83 32.92 1jrq s LYS 118 CO 0.33 0.57 0.92 -2.30 -0.76 0.00 0.00 175.35 174.11 1jrq n PRO 119 N 0.95 -0.13 -1.35 -1.68 -0.02 -1.26 -1.97 135.00 129.53 1jrq n PRO 119 Ca -0.08 0.92 -0.17 0.00 -2.02 0.00 0.00 63.50 62.14 1jrq n PRO 119 Cb 0.52 -1.36 0.11 0.00 -0.02 0.00 0.00 33.50 32.75 1jrq n PRO 119 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jrq n ASN 120 N -4.89 4.32 -4.77 2.55 4.13 -1.26 -5.03 115.26 110.31 1jrq n ASN 120 Ca 0.06 -3.78 -0.41 0.00 1.68 0.00 0.00 54.58 52.13 1jrq n ASN 120 Cb 0.24 -0.59 -0.01 0.00 -1.54 0.00 0.00 39.78 37.89 1jrq n ASN 120 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1jrq s THR 121 N -4.05 2.27 0.34 3.41 2.01 -0.83 -4.65 115.64 114.15 1jrq s THR 121 Ca 0.51 0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.86 1jrq s THR 121 Cb 0.43 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1jrq s THR 121 CO 0.01 0.06 0.13 -0.13 -0.69 0.00 0.00 174.62 174.00 1jrq s ARG 122 N -1.83 2.34 -0.28 4.92 0.52 0.24 -4.93 118.95 119.94 1jrq s ARG 122 Ca 0.53 -1.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1jrq s ARG 122 Cb -0.44 -2.15 0.05 0.00 0.52 0.00 0.00 34.95 32.93 1jrq s ARG 122 CO 0.58 0.10 -0.05 -0.06 0.02 0.00 0.00 175.30 175.90 1jrq s PHE 123 N -2.44 3.24 0.21 -0.53 0.40 0.63 -0.17 117.98 119.32 1jrq s PHE 123 Ca 0.38 -2.00 0.01 0.00 -0.60 0.00 0.00 56.93 54.72 1jrq s PHE 123 Cb -0.02 -2.04 0.18 0.00 0.51 0.00 0.00 43.02 41.65 1jrq s PHE 123 CO 0.22 -0.82 1.52 1.79 0.70 0.00 0.00 175.22 178.64 1jrq h THR 124 N 6.53 1.36 -1.92 0.64 1.35 -1.46 -3.38 112.91 116.04 1jrq h THR 124 Ca -0.22 -1.92 0.01 0.00 -0.55 0.00 0.00 66.41 63.74 1jrq h THR 124 Cb 1.06 1.92 -0.22 0.00 -1.73 0.00 0.00 68.15 69.18 1jrq h THR 124 CO 0.51 0.58 0.13 -0.70 -0.25 0.00 0.00 175.52 175.79 1jrq s GLU 125 N -3.84 0.71 -0.27 4.72 2.12 -1.13 -4.96 118.70 116.05 1jrq s GLU 125 Ca -0.06 1.04 -0.00 0.00 0.36 0.00 0.00 54.97 56.31 1jrq s GLU 125 Cb 0.11 0.24 0.08 0.00 0.26 0.00 0.00 34.13 34.82 1jrq s GLU 125 CO 0.82 -0.12 0.04 0.42 -0.54 0.00 0.00 175.26 175.88 1jrq s ILE 126 N 1.04 1.08 0.09 -3.70 1.01 -1.26 -0.27 121.20 119.19 1jrq s ILE 126 Ca -0.05 -1.23 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 1jrq s ILE 126 Cb -0.05 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1jrq s ILE 126 CO -0.11 -0.41 0.02 -0.44 0.00 0.00 0.00 174.94 174.00 1jrq s SER 127 N 1.56 0.39 0.33 3.58 0.01 -0.85 -4.65 113.70 114.07 1jrq s SER 127 Ca 0.03 -1.11 -0.29 0.00 1.31 0.00 0.00 55.95 55.90 1jrq s SER 127 Cb -0.18 0.25 -0.11 0.00 0.21 0.00 0.00 66.02 66.20 1jrq s SER 127 CO -0.15 -0.67 1.48 -0.22 0.41 0.00 0.00 173.24 174.10 1jrq s LEU 128 N -2.99 4.35 -0.46 2.44 2.96 -1.26 -0.48 118.68 123.24 1jrq s LEU 128 Ca 0.16 2.91 -0.10 0.00 -0.22 0.00 0.00 54.13 56.88 1jrq s LEU 128 Cb 0.08 -3.65 0.11 0.00 0.50 0.00 0.00 46.19 43.22 1jrq s LEU 128 CO -0.04 -0.81 0.34 -0.22 -1.32 0.00 0.00 176.35 174.30 1jrq s LEU 129 N -1.33 5.59 0.51 -0.68 2.96 -0.69 -4.70 118.68 120.35 1jrq s LEU 129 Ca 0.56 -1.77 -0.20 0.00 -0.22 0.00 0.00 54.13 52.50 1jrq s LEU 129 Cb -0.45 -2.03 -0.07 0.00 0.50 0.00 0.00 46.19 44.14 1jrq s LEU 129 CO 0.54 -0.66 1.11 -2.16 -1.32 0.00 0.00 176.35 173.86 1jrq s PRO 130 N 1.41 3.54 1.23 0.98 0.04 -1.26 -4.18 135.00 136.75 1jrq s PRO 130 Ca 0.05 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 1jrq s PRO 130 Cb -0.26 -2.09 0.31 0.00 0.04 0.00 0.00 34.50 32.50 1jrq s PRO 130 CO 0.01 -0.69 1.01 -2.14 0.04 0.00 0.00 177.00 175.22 1jrq s PRO 131 N -3.18 -1.43 0.65 0.56 0.02 -1.26 -4.92 135.00 125.43 1jrq s PRO 131 Ca 0.70 0.62 -0.17 0.00 0.02 0.00 0.00 61.00 62.18 1jrq s PRO 131 Cb -0.22 -1.51 -0.00 0.00 0.02 0.00 0.00 34.50 32.78 1jrq s PRO 131 CO 0.26 -4.01 1.17 0.16 -0.33 0.00 0.00 177.00 174.25 1jrq s ASP 132 N -2.71 4.92 0.21 2.53 1.47 -1.26 -4.82 116.67 117.00 1jrq s ASP 132 Ca 0.68 2.24 -0.10 0.00 1.18 0.00 0.00 52.55 56.56 1jrq s ASP 132 Cb -0.22 -2.58 0.28 0.00 -0.34 0.00 0.00 42.92 40.06 1jrq s ASP 132 CO 0.63 -1.77 1.72 0.50 0.68 0.00 0.00 175.17 176.93 1jrq h LYS 133 N 0.31 0.30 -0.50 2.11 3.64 -1.99 -1.72 116.57 118.71 1jrq h LYS 133 Ca -0.48 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1jrq h LYS 133 Cb 1.28 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1jrq h LYS 133 CO 0.53 0.20 0.23 1.49 -2.27 0.00 0.00 179.45 179.63 1jrq h GLU 134 N 0.31 0.44 -0.25 1.90 4.81 -2.00 -0.87 114.58 118.92 1jrq h GLU 134 Ca 0.31 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1jrq h GLU 134 Cb 0.42 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1jrq h GLU 134 CO -0.36 0.29 -0.29 0.00 -0.73 0.00 0.00 179.01 177.92 1jrq h ALA 135 N 1.29 1.04 -0.36 2.92 0.00 -1.79 -2.23 119.26 120.14 1jrq h ALA 135 Ca 0.23 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1jrq h ALA 135 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1jrq h ALA 135 CO -0.19 0.58 -0.11 0.28 0.00 0.00 0.00 179.25 179.82 1jrq h VAL 136 N 0.43 1.28 -0.59 0.00 2.07 -0.61 -2.21 116.25 116.63 1jrq h VAL 136 Ca 0.06 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1jrq h VAL 136 Cb 0.73 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1jrq h VAL 136 CO 0.06 0.39 0.18 -0.50 0.02 0.00 0.00 177.57 177.72 1jrq h TRP 137 N 0.49 0.90 0.00 1.57 -0.00 -1.07 -1.97 115.95 115.87 1jrq h TRP 137 Ca 0.09 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.89 58.85 1jrq h TRP 137 Cb 0.62 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.50 1jrq h TRP 137 CO 0.05 0.73 -0.29 0.00 -0.00 0.00 0.00 178.44 178.93 1jrq h ALA 138 N 1.34 1.18 -0.07 1.49 0.00 -1.25 0.70 119.26 122.65 1jrq h ALA 138 Ca 0.19 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1jrq h ALA 138 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jrq h ALA 138 CO -0.01 0.36 -0.26 0.35 0.00 0.00 0.00 179.25 179.69 1jrq h PHE 139 N 0.00 0.40 -0.69 0.00 3.04 -0.74 0.15 116.94 119.11 1jrq h PHE 139 Ca -0.00 -0.17 -0.07 0.00 3.98 0.00 0.00 57.97 61.71 1jrq h PHE 139 Cb 0.67 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 1jrq h PHE 139 CO 0.00 0.88 0.15 0.00 -2.02 0.00 0.00 178.31 177.32 1jrq h ALA 140 N 0.44 0.91 0.00 2.41 0.00 -1.07 -0.86 119.26 121.09 1jrq h ALA 140 Ca -0.01 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 1jrq h ALA 140 Cb 0.90 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1jrq h ALA 140 CO 0.06 0.65 -1.95 1.28 0.00 0.00 0.00 179.25 179.28 1jrq n LEU 141 N -4.24 0.40 0.00 0.00 4.77 0.21 -4.58 117.00 113.55 1jrq n LEU 141 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1jrq n LEU 141 Cb 0.27 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1jrq n LEU 141 CO 0.43 0.32 0.39 -0.62 -1.33 0.00 0.00 177.39 176.57 1jrq n GLU 142 N -2.78 1.48 -1.44 3.23 1.02 0.46 -4.98 120.64 117.63 1jrq n GLU 142 Ca -0.20 -1.07 -0.15 0.00 -0.02 0.00 0.00 57.16 55.72 1jrq n GLU 142 Cb 0.98 -0.94 -0.06 0.00 -0.02 0.00 0.00 31.44 31.40 1jrq n GLU 142 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jrq n ASN 143 N -0.29 -5.31 -4.70 1.62 3.02 -0.33 -4.93 115.26 104.34 1jrq n ASN 143 Ca 0.00 0.38 -0.42 0.00 -0.03 0.00 0.00 54.58 54.50 1jrq n ASN 143 Cb 0.20 -4.14 -0.03 0.00 -0.61 0.00 0.00 39.78 35.20 1jrq n ASN 143 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1jrq s LYS 144 N -3.24 4.40 0.31 3.52 2.20 -0.74 -4.91 119.74 121.28 1jrq s LYS 144 Ca 0.00 1.64 -0.29 0.00 -0.36 0.00 0.00 55.97 56.96 1jrq s LYS 144 Cb 0.00 -3.50 -0.11 0.00 -1.51 0.00 0.00 37.83 32.72 1jrq s LYS 144 CO 0.00 -0.35 1.43 -2.14 -0.36 0.00 0.00 175.35 173.93 1jrq s PRO 145 N 1.81 4.24 -0.29 4.03 0.02 -1.26 -3.50 135.00 140.05 1jrq s PRO 145 Ca 0.55 2.38 -0.28 0.00 0.02 0.00 0.00 61.00 63.67 1jrq s PRO 145 Cb -0.25 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.23 1jrq s PRO 145 CO 0.24 -0.40 0.99 0.08 -0.33 0.00 0.00 177.00 177.58 1jrq s VAL 146 N -0.67 4.63 -0.49 3.83 1.01 -1.26 -4.89 120.40 122.57 1jrq s VAL 146 Ca 0.55 1.70 -0.03 0.00 0.00 0.00 0.00 61.98 64.20 1jrq s VAL 146 Cb -0.43 -4.31 0.16 0.00 0.00 0.00 0.00 36.38 31.80 1jrq s VAL 146 CO 0.52 -0.33 2.45 -0.90 0.00 0.00 0.00 175.10 176.85 1jrq n ASP 147 N 6.53 6.70 -4.30 3.32 5.68 -1.26 -4.87 116.55 128.36 1jrq n ASP 147 Ca 0.10 -3.30 -0.30 0.00 -0.50 0.00 0.00 54.79 50.80 1jrq n ASP 147 Cb 0.47 -1.15 -0.15 0.00 -1.14 0.00 0.00 41.12 39.14 1jrq n ASP 147 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1jrq s GLN 148 N -2.19 1.90 0.48 0.11 -0.21 -1.26 -5.13 119.66 113.36 1jrq s GLN 148 Ca 0.52 -0.94 -0.22 0.00 0.02 0.00 0.00 55.36 54.75 1jrq s GLN 148 Cb 0.37 -1.90 -0.08 0.00 1.00 0.00 0.00 33.01 32.40 1jrq s GLN 148 CO -0.18 0.51 1.11 -1.25 -2.12 0.00 0.00 175.29 173.36 1jrq s PRO 149 N -0.78 3.74 0.12 2.91 0.04 -1.26 -4.96 135.00 134.81 1jrq s PRO 149 Ca 0.10 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.42 1jrq s PRO 149 Cb -0.10 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.09 1jrq s PRO 149 CO -0.00 -0.52 1.74 1.03 0.04 0.00 0.00 177.00 179.28 1jrq s ARG 150 N -2.93 4.16 0.23 4.56 1.81 -1.26 -4.90 118.95 120.63 1jrq s ARG 150 Ca 0.66 2.49 0.10 0.00 -1.72 0.00 0.00 55.73 57.25 1jrq s ARG 150 Cb -0.23 -3.51 -0.05 0.00 -0.45 0.00 0.00 34.95 30.70 1jrq s ARG 150 CO 0.28 -0.78 -0.17 0.15 -0.68 0.00 0.00 175.30 174.10 1jrq s LYS 151 N 2.44 1.48 0.01 3.54 1.02 -1.26 -0.49 119.74 126.47 1jrq s LYS 151 Ca 0.77 -1.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.09 1jrq s LYS 151 Cb -0.44 -1.41 -0.01 0.00 -0.52 0.00 0.00 37.83 35.45 1jrq s LYS 151 CO 0.34 0.25 0.01 0.00 -0.92 0.00 0.00 175.35 175.03 1jrq s ALA 152 N -2.73 0.01 -0.19 5.17 0.00 -0.49 -1.71 121.76 121.83 1jrq s ALA 152 Ca 0.25 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 1jrq s ALA 152 Cb -0.03 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1jrq s ALA 152 CO 0.10 -0.12 0.22 -0.51 0.00 0.00 0.00 175.76 175.45 1jrq s ASP 153 N -1.02 6.31 -0.24 0.00 1.01 0.37 -1.28 116.67 121.82 1jrq s ASP 153 Ca -0.11 0.36 0.01 0.00 0.71 0.00 0.00 52.55 53.52 1jrq s ASP 153 Cb -0.07 -2.14 0.06 0.00 1.01 0.00 0.00 42.92 41.78 1jrq s ASP 153 CO -0.00 0.12 -0.06 -0.69 0.21 0.00 0.00 175.17 174.75 1jrq s VAL 154 N 0.51 1.61 -0.27 -1.27 1.01 0.69 -2.00 120.40 120.68 1jrq s VAL 154 Ca 0.12 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 1jrq s VAL 154 Cb -0.12 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1jrq s VAL 154 CO 0.02 -0.10 0.14 -0.63 0.00 0.00 0.00 175.10 174.52 1jrq s ILE 155 N 1.36 4.84 0.11 2.22 1.01 0.63 -0.40 121.20 130.96 1jrq s ILE 155 Ca -0.06 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1jrq s ILE 155 Cb -0.19 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1jrq s ILE 155 CO -0.06 0.27 -0.03 -0.04 0.00 0.00 0.00 174.94 175.08 1jrq s MET 156 N 1.69 2.39 -0.28 2.79 -1.94 0.21 -1.23 119.30 122.93 1jrq s MET 156 Ca 0.07 -0.94 0.03 0.00 -1.71 0.00 0.00 55.69 53.14 1jrq s MET 156 Cb -0.16 -2.44 0.07 0.00 2.01 0.00 0.00 34.83 34.32 1jrq s MET 156 CO 0.08 0.52 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.39 1jrq s LEU 157 N -2.36 3.62 -0.80 -0.03 2.96 0.76 -0.92 118.68 121.91 1jrq s LEU 157 Ca 0.25 -1.60 -0.15 0.00 -0.22 0.00 0.00 54.13 52.41 1jrq s LEU 157 Cb -0.11 -1.47 0.19 0.00 0.50 0.00 0.00 46.19 45.30 1jrq s LEU 157 CO 0.17 -0.27 0.78 -0.62 -1.32 0.00 0.00 176.35 175.09 1jrq s ASP 158 N 1.12 6.67 0.25 3.68 2.15 0.88 -0.59 116.67 130.83 1jrq s ASP 158 Ca -0.01 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 50.49 1jrq s ASP 158 Cb -0.19 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1jrq s ASP 158 CO -0.07 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 174.85 1jrq n GLY 159 N 4.34 1.80 0.00 2.66 0.00 -1.26 -1.10 105.19 111.62 1jrq n GLY 159 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.74 -3.44 1.61 2.85 -1.26 -5.02 118.16 113.64 1jrq n LYS 160 Ca 0.00 -0.83 -0.38 0.00 -1.05 0.00 0.00 58.31 56.05 1jrq n LYS 160 Cb 0.00 -0.90 -0.08 0.00 -0.65 0.00 0.00 35.03 33.41 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 -0.38 3.38 0.03 5.58 3.76 -0.26 -4.52 115.29 122.87 1jrq s HIS 161 Ca 0.00 0.58 -0.21 0.00 -0.15 0.00 0.00 55.06 55.27 1jrq s HIS 161 Cb 0.00 -2.47 -0.06 0.00 1.11 0.00 0.00 32.58 31.16 1jrq s HIS 161 CO 0.00 0.04 0.63 0.42 -0.85 0.00 0.00 174.74 174.98 1jrq s ILE 162 N 1.14 4.82 -0.03 0.60 -1.09 -1.26 -0.08 121.20 125.30 1jrq s ILE 162 Ca 0.18 1.33 0.02 0.00 -2.23 0.00 0.00 60.65 59.95 1jrq s ILE 162 Cb -0.14 -3.97 0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1jrq s ILE 162 CO 0.07 0.44 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.52 1jrq s ILE 163 N -0.38 0.63 -0.20 2.92 1.09 -0.10 -0.22 121.20 124.94 1jrq s ILE 163 Ca 0.32 -0.26 -0.03 0.00 -1.10 0.00 0.00 60.65 59.58 1jrq s ILE 163 Cb -0.19 -0.58 -0.01 0.00 -1.06 0.00 0.00 42.46 40.62 1jrq s ILE 163 CO 0.19 0.21 -0.07 -1.61 -0.10 0.00 0.00 174.94 173.56 1jrq s GLU 164 N 0.31 3.36 0.25 2.79 2.02 0.32 -0.62 118.70 127.13 1jrq s GLU 164 Ca -0.04 -0.65 0.10 0.00 0.02 0.00 0.00 54.97 54.40 1jrq s GLU 164 Cb -0.09 -2.89 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 1jrq s GLU 164 CO 0.00 -0.09 -0.18 0.00 0.02 0.00 0.00 175.26 175.01 1jrq s ALA 165 N 1.18 2.47 -0.07 5.21 0.00 0.46 -0.20 121.76 130.81 1jrq s ALA 165 Ca 0.02 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.21 1jrq s ALA 165 Cb -0.14 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1jrq s ALA 165 CO -0.02 0.20 -0.11 0.08 0.00 0.00 0.00 175.76 175.91 1jrq s VAL 166 N -2.67 1.08 0.08 0.00 1.01 -0.68 -0.22 120.40 119.00 1jrq s VAL 166 Ca 0.27 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.91 1jrq s VAL 166 Cb -0.03 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1jrq s VAL 166 CO 0.12 0.34 -0.25 0.68 0.00 0.00 0.00 175.10 175.99 1jrq s VAL 167 N 0.75 2.09 -0.42 2.92 -7.23 -0.40 0.56 120.40 118.67 1jrq s VAL 167 Ca -0.13 -1.53 -0.15 0.00 -1.81 0.00 0.00 61.98 58.36 1jrq s VAL 167 Cb -0.15 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 34.99 1jrq s VAL 167 CO 0.03 0.20 0.33 -0.62 -0.31 0.00 0.00 175.10 174.73 1jrq s ASP 168 N -1.61 6.13 0.17 4.85 -1.08 0.14 -1.40 116.67 123.87 1jrq s ASP 168 Ca 0.12 -0.93 -0.06 0.00 -0.52 0.00 0.00 52.55 51.15 1jrq s ASP 168 Cb -0.10 -2.17 0.04 0.00 -1.46 0.00 0.00 42.92 39.23 1jrq s ASP 168 CO 0.04 -0.50 1.47 -0.07 0.52 0.00 0.00 175.17 176.63 1jrq h LEU 169 N 8.71 0.73 0.78 -1.34 3.38 -1.07 0.49 115.31 127.00 1jrq h LEU 169 Ca -0.27 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 1jrq h LEU 169 Cb 1.12 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.66 1jrq h LEU 169 CO 0.76 1.14 -0.38 -0.61 0.09 0.00 0.00 178.44 179.44 1jrq h GLN 170 N 0.50 -1.02 0.00 1.13 4.15 -1.91 -3.01 115.11 114.96 1jrq h GLN 170 Ca 0.01 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1jrq h GLN 170 Cb 1.12 0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1jrq h GLN 170 CO 0.11 -0.67 0.00 0.09 -1.93 0.00 0.00 178.83 176.43 1jrq n ASN 171 N -5.48 0.00 -4.10 -0.69 3.02 -1.25 -4.92 115.26 101.84 1jrq n ASN 171 Ca -0.13 -1.19 -0.29 0.00 -0.03 0.00 0.00 54.58 52.94 1jrq n ASN 171 Cb 0.42 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.87 -0.63 -4.17 6.41 5.15 0.05 -4.96 115.26 116.24 1jrq n ASN 172 Ca 0.17 -1.07 -0.17 0.00 -0.60 0.00 0.00 54.58 52.91 1jrq n ASN 172 Cb 0.08 -2.65 -0.12 0.00 -0.53 0.00 0.00 39.78 36.56 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 -6.82 0.81 -0.10 1.20 -2.85 -0.52 -4.96 119.74 106.50 1jrq s LYS 173 Ca 0.16 -1.00 -0.29 0.00 -1.00 0.00 0.00 55.97 53.84 1jrq s LYS 173 Cb -0.09 -0.70 -0.01 0.00 -2.06 0.00 0.00 37.83 34.96 1jrq s LYS 173 CO 0.92 0.14 0.98 -1.17 0.10 0.00 0.00 175.35 176.33 1jrq s LEU 174 N -1.95 4.26 -0.14 2.77 2.96 -1.26 0.27 118.68 125.58 1jrq s LEU 174 Ca -0.00 1.51 0.12 0.00 -0.22 0.00 0.00 54.13 55.53 1jrq s LEU 174 Cb -0.08 -3.52 -0.24 0.00 0.50 0.00 0.00 46.19 42.86 1jrq s LEU 174 CO 0.02 -0.41 0.28 0.18 -1.32 0.00 0.00 176.35 175.09 1jrq n LEU 175 N 4.88 0.90 -3.47 -0.68 4.77 0.19 -4.91 117.00 118.68 1jrq n LEU 175 Ca 0.08 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.08 1jrq n LEU 175 Cb 0.49 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1jrq n LEU 175 CO 0.52 0.54 0.47 -0.94 -1.33 0.00 0.00 177.39 176.65 1jrq s SER 176 N -5.97 -0.56 -0.26 -1.43 1.04 -1.10 -4.94 113.70 100.49 1jrq s SER 176 Ca -0.12 0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 1jrq s SER 176 Cb 0.07 0.54 0.10 0.00 0.10 0.00 0.00 66.02 66.82 1jrq s SER 176 CO 0.80 -0.78 0.15 0.86 0.98 0.00 0.00 173.24 175.25 1jrq s TRP 177 N -2.75 0.12 -0.25 5.02 -0.11 -1.26 -1.68 118.94 118.02 1jrq s TRP 177 Ca -0.02 -0.55 0.02 0.00 1.22 0.00 0.00 56.10 56.77 1jrq s TRP 177 Cb -0.01 -0.74 0.06 0.00 -1.50 0.00 0.00 33.47 31.29 1jrq s TRP 177 CO -0.05 -0.75 -0.06 -0.65 -4.62 0.00 0.00 176.95 170.82 1jrq s GLN 178 N 2.17 1.80 0.25 5.86 -1.52 0.71 -4.96 119.66 123.98 1jrq s GLN 178 Ca 0.07 -1.17 -0.30 0.00 -1.95 0.00 0.00 55.36 52.01 1jrq s GLN 178 Cb -0.16 -2.72 -0.11 0.00 -0.22 0.00 0.00 33.01 29.81 1jrq s GLN 178 CO -0.28 -0.62 1.54 -2.14 -0.25 0.00 0.00 175.29 173.55 1jrq s PRO 179 N 1.27 4.19 -0.45 2.91 0.02 -1.26 -0.52 135.00 141.15 1jrq s PRO 179 Ca -0.06 2.45 -0.11 0.00 0.02 0.00 0.00 61.00 63.30 1jrq s PRO 179 Cb -0.19 -3.08 0.09 0.00 0.02 0.00 0.00 34.50 31.34 1jrq s PRO 179 CO -0.06 -0.56 0.33 0.42 -0.33 0.00 0.00 177.00 176.80 1jrq s ILE 180 N 0.24 4.49 0.20 2.83 -1.09 0.69 -4.89 121.20 123.68 1jrq s ILE 180 Ca 0.64 -1.45 -0.32 0.00 -2.23 0.00 0.00 60.65 57.28 1jrq s ILE 180 Cb -0.45 -3.80 -0.13 0.00 -1.58 0.00 0.00 42.46 36.50 1jrq s ILE 180 CO 0.43 -0.62 1.67 1.17 -1.23 0.00 0.00 174.94 176.35 1jrq n LYS 181 N 5.00 2.60 0.00 2.79 4.81 -1.26 -3.03 118.16 129.06 1jrq n LYS 181 Ca -0.10 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 1jrq n LYS 181 Cb 0.42 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.72 1jrq n LYS 181 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jrq n ASP 182 N 3.64 0.00 -4.74 3.14 8.00 -1.26 -4.99 116.55 120.34 1jrq n ASP 182 Ca 0.16 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.25 1jrq n ASP 182 Cb 0.33 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.13 3.40 -0.12 2.24 0.00 -1.17 -5.03 121.76 118.95 1jrq s ALA 183 Ca 0.00 0.87 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 1jrq s ALA 183 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1jrq s ALA 183 CO 0.00 -0.27 0.10 -1.01 0.00 0.00 0.00 175.76 174.58 1jrq s HIS 184 N -0.26 3.45 0.59 0.00 3.76 -1.26 -4.37 115.29 117.20 1jrq s HIS 184 Ca 0.50 0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 55.71 1jrq s HIS 184 Cb -0.31 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 1jrq s HIS 184 CO 0.36 0.59 0.98 0.20 -0.85 0.00 0.00 174.74 176.03 1jrq s GLY 185 N -0.78 1.63 1.01 -2.22 0.00 -1.26 -4.50 107.32 101.20 1jrq s GLY 185 Ca 0.13 -0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 1jrq s GLY 185 CO 0.03 0.07 1.08 -3.16 0.00 0.00 0.00 173.10 171.12 1jrq s MET 186 N -5.09 0.30 -0.02 2.90 0.23 -1.26 -4.88 119.30 111.47 1jrq s MET 186 Ca 0.53 0.59 -0.30 0.00 -1.03 0.00 0.00 55.69 55.49 1jrq s MET 186 Cb -0.11 -1.72 -0.03 0.00 -1.53 0.00 0.00 34.83 31.44 1jrq s MET 186 CO 0.52 -2.84 1.10 0.08 -2.03 0.00 0.00 175.02 171.86 1jrq s VAL 187 N -2.89 4.47 0.21 5.16 1.01 0.07 -5.03 120.40 123.40 1jrq s VAL 187 Ca 0.66 1.77 0.06 0.00 0.00 0.00 0.00 61.98 64.46 1jrq s VAL 187 Cb -0.19 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1jrq s VAL 187 CO 0.58 0.07 0.21 -0.76 0.00 0.00 0.00 175.10 175.20 1jrq s LEU 188 N 1.58 3.92 0.19 3.92 1.43 -1.26 -4.66 118.68 123.80 1jrq s LEU 188 Ca 0.54 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.32 1jrq s LEU 188 Cb -0.24 -2.48 0.15 0.00 0.03 0.00 0.00 46.19 43.65 1jrq s LEU 188 CO 0.24 0.00 1.60 0.25 0.23 0.00 0.00 176.35 178.68 1jrq h LEU 189 N 1.80 -0.96 -2.14 1.79 6.46 -1.96 0.28 115.31 120.58 1jrq h LEU 189 Ca -0.49 0.21 0.06 0.00 -0.12 0.00 0.00 57.88 57.54 1jrq h LEU 189 Cb 1.22 0.50 -0.01 0.00 -0.73 0.00 0.00 40.66 41.64 1jrq h LEU 189 CO 0.62 -0.28 0.18 -2.24 -0.62 0.00 0.00 178.44 176.10 1jrq h ASP 190 N -0.13 0.00 -0.07 1.25 2.03 -2.01 -0.54 116.42 116.96 1jrq h ASP 190 Ca 0.24 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1jrq h ASP 190 Cb 0.52 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.02 1jrq h ASP 190 CO -0.64 0.00 0.04 0.44 -1.03 0.00 0.00 179.24 178.05 1jrq h ASP 191 N 0.00 0.10 -0.40 4.15 3.32 -1.33 -0.24 116.42 122.03 1jrq h ASP 191 Ca 0.10 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1jrq h ASP 191 Cb 0.45 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1jrq h ASP 191 CO -0.00 0.09 0.21 -0.26 -1.72 0.00 0.00 179.24 177.56 1jrq h PHE 192 N 0.12 0.56 -0.24 4.55 -1.00 -1.13 -1.78 116.94 118.02 1jrq h PHE 192 Ca 0.03 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 1jrq h PHE 192 Cb 0.02 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 1jrq h PHE 192 CO 0.00 0.44 -0.13 0.00 -1.61 0.00 0.00 178.31 177.01 1jrq h ALA 193 N 1.06 0.33 -0.07 2.45 0.00 -1.40 -2.69 119.26 118.94 1jrq h ALA 193 Ca 0.14 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jrq h ALA 193 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jrq h ALA 193 CO -0.02 0.21 -0.04 0.77 0.00 0.00 0.00 179.25 180.16 1jrq h SER 194 N 0.22 -0.14 -0.52 0.00 0.02 -0.99 0.61 113.55 112.75 1jrq h SER 194 Ca 0.05 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.14 1jrq h SER 194 Cb 0.65 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 63.17 1jrq h SER 194 CO 0.04 -0.06 -0.06 0.58 -1.14 0.00 0.00 176.83 176.19 1jrq h VAL 195 N -0.05 0.53 -0.38 2.27 2.07 -1.31 0.81 116.25 120.20 1jrq h VAL 195 Ca 0.04 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1jrq h VAL 195 Cb 0.11 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1jrq h VAL 195 CO -0.10 0.01 0.10 -0.61 0.02 0.00 0.00 177.57 176.99 1jrq h GLN 196 N 0.06 0.60 -0.18 1.57 5.75 -1.13 -0.84 115.11 120.93 1jrq h GLN 196 Ca 0.26 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1jrq h GLN 196 Cb 0.40 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1jrq h GLN 196 CO -0.49 0.63 0.09 -0.97 -2.65 0.00 0.00 178.83 175.44 1jrq h ASN 197 N 0.46 0.24 -0.90 -0.69 -0.73 0.04 0.76 115.58 114.75 1jrq h ASN 197 Ca 0.12 -0.11 0.02 0.00 1.87 0.00 0.00 56.30 58.20 1jrq h ASN 197 Cb 0.29 -0.06 -0.05 0.00 0.27 0.00 0.00 38.32 38.77 1jrq h ASN 197 CO -0.00 0.28 0.60 0.40 -0.37 0.00 0.00 177.43 178.33 1jrq h ILE 198 N 0.18 1.20 -0.30 2.57 2.04 0.71 -1.30 117.51 122.60 1jrq h ILE 198 Ca 0.06 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.37 1jrq h ILE 198 Cb 0.10 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1jrq h ILE 198 CO -0.01 0.22 -0.38 0.40 0.00 0.00 0.00 178.15 178.38 1jrq h ILE 199 N 1.19 1.29 -0.80 -0.67 5.03 -0.76 -3.06 117.51 119.73 1jrq h ILE 199 Ca 0.34 -1.56 0.08 0.00 -0.12 0.00 0.00 64.86 63.60 1jrq h ILE 199 Cb -0.08 1.58 -0.05 0.00 -3.03 0.00 0.00 36.82 35.24 1jrq h ILE 199 CO -0.09 0.50 0.52 0.78 -0.68 0.00 0.00 178.15 179.19 1jrq h ASN 200 N 0.55 0.73 -0.35 1.72 -0.26 -0.06 -1.22 115.58 116.69 1jrq h ASN 200 Ca 0.04 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1jrq h ASN 200 Cb 0.96 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 1jrq h ASN 200 CO 0.09 0.46 0.00 0.59 -1.06 0.00 0.00 177.43 177.50 1jrq n ASN 201 N -4.49 2.47 -4.44 5.81 5.03 -0.57 -4.81 115.26 114.26 1jrq n ASN 201 Ca 0.12 -2.16 -0.41 0.00 0.87 0.00 0.00 54.58 53.01 1jrq n ASN 201 Cb 0.26 -0.37 -0.11 0.00 -1.02 0.00 0.00 39.78 38.54 1jrq n ASN 201 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1jrq s SER 202 N -0.80 5.90 0.18 6.41 0.15 -0.46 -4.92 113.70 120.16 1jrq s SER 202 Ca 0.26 -0.81 -0.11 0.00 0.70 0.00 0.00 55.95 55.99 1jrq s SER 202 Cb 0.16 -2.09 0.10 0.00 -1.71 0.00 0.00 66.02 62.47 1jrq s SER 202 CO 0.14 -0.36 1.76 1.05 1.20 0.00 0.00 173.24 177.03 1jrq h GLU 203 N 8.51 0.93 -0.16 5.44 9.09 -1.87 0.13 114.58 136.65 1jrq h GLU 203 Ca -0.28 -0.14 -0.01 0.00 0.05 0.00 0.00 59.36 58.98 1jrq h GLU 203 Cb 1.12 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 28.05 1jrq h GLU 203 CO 0.68 0.75 0.06 0.93 0.05 0.00 0.00 179.01 181.47 1jrq h GLU 204 N 0.89 0.25 -0.55 1.06 5.08 -1.96 -0.11 114.58 119.24 1jrq h GLU 204 Ca 0.22 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1jrq h GLU 204 Cb 0.13 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1jrq h GLU 204 CO -0.03 0.35 0.34 0.35 -1.00 0.00 0.00 179.01 179.02 1jrq h PHE 205 N 0.09 0.63 -0.61 4.33 3.57 -1.82 0.12 116.94 123.24 1jrq h PHE 205 Ca 0.05 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1jrq h PHE 205 Cb 0.21 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1jrq h PHE 205 CO -0.01 0.36 0.41 0.00 -2.23 0.00 0.00 178.31 176.85 1jrq h ALA 206 N 1.24 1.60 0.03 2.41 0.00 -0.78 0.11 119.26 123.86 1jrq h ALA 206 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jrq h ALA 206 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1jrq h ALA 206 CO -0.09 0.36 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 1jrq h ALA 207 N 1.63 -0.04 -0.98 0.00 0.00 0.89 -0.94 119.26 119.81 1jrq h ALA 207 Ca 0.23 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jrq h ALA 207 Cb -0.04 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1jrq h ALA 207 CO -0.06 -0.39 0.64 0.00 0.00 0.00 0.00 179.25 179.45 1jrq h ALA 208 N 0.66 1.34 -0.53 0.00 0.00 -0.15 -2.65 119.26 117.93 1jrq h ALA 208 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1jrq h ALA 208 Cb 0.28 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jrq h ALA 208 CO 0.01 0.58 0.19 0.28 0.00 0.00 0.00 179.25 180.31 1jrq h VAL 209 N 1.27 1.22 -0.83 0.00 2.07 -0.65 -2.86 116.25 116.48 1jrq h VAL 209 Ca 0.38 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1jrq h VAL 209 Cb -0.05 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1jrq h VAL 209 CO -0.11 0.27 0.50 0.50 0.02 0.00 0.00 177.57 178.75 1jrq h LYS 210 N 0.72 1.13 -0.65 1.57 1.63 -0.83 -1.80 116.57 118.34 1jrq h LYS 210 Ca 0.17 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1jrq h LYS 210 Cb 0.23 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 1jrq h LYS 210 CO -0.01 0.79 0.43 -0.22 -3.45 0.00 0.00 179.45 176.99 1jrq h LYS 211 N 1.14 0.82 0.00 1.90 3.64 -1.27 -2.23 116.57 120.57 1jrq h LYS 211 Ca 0.30 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1jrq h LYS 211 Cb -0.05 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1jrq h LYS 211 CO -0.06 0.54 0.00 0.54 -2.27 0.00 0.00 179.45 178.21 1jrq n ARG 212 N -4.45 0.94 0.00 1.90 1.74 -0.69 -4.89 116.66 111.21 1jrq n ARG 212 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1jrq n ARG 212 Cb 0.07 -1.14 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.56 3.04 3.61 -0.13 0.00 -0.84 -4.52 105.19 106.91 1jrq n GLY 213 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.81 3.25 0.06 -0.61 1.09 -1.16 -4.85 121.20 116.17 1jrq s ILE 214 Ca 0.00 0.27 -0.03 0.00 -1.10 0.00 0.00 60.65 59.79 1jrq s ILE 214 Cb 0.00 -3.29 -0.27 0.00 -1.06 0.00 0.00 42.46 37.83 1jrq s ILE 214 CO 0.00 -0.16 1.08 0.71 -0.10 0.00 0.00 174.94 176.48 1jrq h THR 215 N 6.66 1.43 -3.50 2.92 1.35 -1.90 -3.37 112.91 116.51 1jrq h THR 215 Ca -0.39 -3.04 -0.69 0.00 -0.55 0.00 0.00 66.41 61.74 1jrq h THR 215 Cb 1.21 2.89 -0.35 0.00 -1.73 0.00 0.00 68.15 70.16 1jrq h THR 215 CO 0.98 0.88 -0.51 -0.62 -0.25 0.00 0.00 175.52 176.00 1jrq s ASP 216 N -7.05 5.20 0.04 5.36 -1.08 -1.26 -4.94 116.67 112.94 1jrq s ASP 216 Ca -0.05 -2.30 0.04 0.00 -0.52 0.00 0.00 52.55 49.73 1jrq s ASP 216 Cb 0.07 -1.82 0.21 0.00 -1.46 0.00 0.00 42.92 39.92 1jrq s ASP 216 CO 0.87 -0.48 1.13 0.00 0.52 0.00 0.00 175.17 177.21 1jrq n ALA 217 N 4.23 1.06 1.00 3.66 0.00 -1.26 -0.95 120.51 128.25 1jrq n ALA 217 Ca 0.01 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.61 1jrq n ALA 217 Cb 0.40 -1.06 0.61 0.00 0.00 0.00 0.00 19.45 19.40 1jrq n ALA 217 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jrq n LYS 218 N -1.61 0.03 -0.46 0.00 5.02 -1.26 -2.81 118.16 117.07 1jrq n LYS 218 Ca 0.00 0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.40 1jrq n LYS 218 Cb 0.02 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 33.85 1jrq n LYS 218 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jrq n LYS 219 N -1.49 3.07 -3.08 1.97 5.02 -0.12 -4.92 118.16 118.61 1jrq n LYS 219 Ca 0.07 -2.57 -0.40 0.00 -2.02 0.00 0.00 58.31 53.39 1jrq n LYS 219 Cb 0.32 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.46 5.01 -0.23 -0.18 1.01 -1.12 0.14 120.40 123.56 1jrq s VAL 220 Ca 0.47 1.27 -0.07 0.00 0.00 0.00 0.00 61.98 63.65 1jrq s VAL 220 Cb 0.27 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1jrq s VAL 220 CO 0.27 0.12 0.07 -0.63 0.00 0.00 0.00 175.10 174.93 1jrq s ILE 221 N 1.81 4.51 0.39 2.22 -1.09 0.16 -4.94 121.20 124.26 1jrq s ILE 221 Ca 0.31 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.60 1jrq s ILE 221 Cb -0.16 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.60 1jrq s ILE 221 CO 0.11 0.37 0.63 0.42 -1.23 0.00 0.00 174.94 175.24 1jrq s THR 222 N 1.24 5.04 -0.10 2.92 -4.23 -1.26 -1.34 115.64 117.91 1jrq s THR 222 Ca 0.05 -0.24 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1jrq s THR 222 Cb -0.14 -3.86 0.05 0.00 1.34 0.00 0.00 72.50 69.89 1jrq s THR 222 CO 0.04 -0.65 0.18 -0.89 -0.54 0.00 0.00 174.62 172.75 1jrq s THR 223 N -2.45 -0.28 0.12 3.99 2.01 -0.79 -4.98 115.64 113.26 1jrq s THR 223 Ca 0.42 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1jrq s THR 223 Cb -0.10 -0.34 -0.06 0.00 0.01 0.00 0.00 72.50 72.01 1jrq s THR 223 CO 0.39 0.11 0.93 -2.16 -0.69 0.00 0.00 174.62 173.20 1jrq s PRO 224 N 2.31 4.69 -0.01 4.92 0.04 -1.26 -2.33 135.00 143.36 1jrq s PRO 224 Ca 0.03 1.41 0.02 0.00 0.04 0.00 0.00 61.00 62.50 1jrq s PRO 224 Cb -0.12 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 1jrq s PRO 224 CO -0.07 0.27 -0.06 -0.51 0.04 0.00 0.00 177.00 176.67 1jrq s LEU 225 N -0.19 1.94 0.52 -3.56 1.43 0.39 -4.96 118.68 114.26 1jrq s LEU 225 Ca 0.45 -0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.23 1jrq s LEU 225 Cb -0.23 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.58 1jrq s LEU 225 CO 0.29 0.07 1.10 0.42 0.23 0.00 0.00 176.35 178.46 1jrq s THR 226 N -0.04 3.39 -1.00 5.49 -4.23 -1.26 -0.33 115.64 117.66 1jrq s THR 226 Ca 0.01 0.88 0.26 0.00 -1.18 0.00 0.00 61.69 61.65 1jrq s THR 226 Cb -0.04 -3.36 0.05 0.00 1.34 0.00 0.00 72.50 70.49 1jrq s THR 226 CO -0.00 -0.17 1.50 1.33 -0.54 0.00 0.00 174.62 176.74 1jrq n VAL 227 N -1.12 0.00 -4.17 2.29 0.24 -1.26 -4.75 118.33 109.56 1jrq n VAL 227 Ca 0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1jrq n VAL 227 Cb 0.51 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1jrq n VAL 227 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jrq n GLY 228 N 1.50 -0.38 3.11 7.63 0.00 -1.26 -4.85 105.19 110.94 1jrq n GLY 228 Ca 0.06 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.48 -0.18 1.61 5.04 -1.26 -4.25 117.35 117.84 1jrq s TYR 229 Ca 0.00 1.05 0.17 0.00 -2.44 0.00 0.00 57.07 55.84 1jrq s TYR 229 Cb 0.00 0.10 0.45 0.00 0.35 0.00 0.00 41.96 42.86 1jrq s TYR 229 CO 0.00 -0.33 1.18 1.19 -1.34 0.00 0.00 175.55 176.25 1jrq n PHE 230 N 4.76 0.80 -3.01 4.97 3.72 -1.26 -4.72 117.46 122.72 1jrq n PHE 230 Ca -0.16 -1.48 -0.19 0.00 -0.05 0.00 0.00 57.45 55.57 1jrq n PHE 230 Cb 0.52 -0.24 -0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.48 -3.79 0.00 4.37 2.03 -1.26 -0.16 116.55 117.27 1jrq n ASP 231 Ca 0.18 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1jrq n ASP 231 Cb 0.90 -3.16 0.00 0.00 -0.72 0.00 0.00 41.12 38.14 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 -1.04 2.03 0.13 0.27 0.00 -1.26 -4.89 105.19 100.43 1jrq n GLY 232 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1jrq n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrq n LYS 233 N -2.00 0.14 -0.02 1.61 4.76 0.77 -0.75 118.16 122.67 1jrq n LYS 233 Ca 0.00 0.54 0.13 0.00 -2.87 0.00 0.00 58.31 56.11 1jrq n LYS 233 Cb 0.00 -1.88 0.31 0.00 -1.84 0.00 0.00 35.03 31.61 1jrq n LYS 233 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1jrq n ASP 234 N -2.17 2.32 -0.45 4.39 5.75 -1.26 -4.94 116.55 120.19 1jrq n ASP 234 Ca 0.00 -1.77 -0.06 0.00 -0.01 0.00 0.00 54.79 52.95 1jrq n ASP 234 Cb 0.10 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.27 0.82 3.81 6.12 0.00 0.07 -5.02 105.19 112.26 1jrq n GLY 235 Ca 0.17 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.33 4.32 0.07 0.99 1.43 -1.26 -5.06 118.68 117.83 1jrq s LEU 236 Ca 0.00 0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 53.22 1jrq s LEU 236 Cb 0.00 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 1jrq s LEU 236 CO 0.00 0.29 1.56 -0.75 0.23 0.00 0.00 176.35 177.69 1jrq s LYS 237 N -0.40 4.23 0.56 1.70 2.20 -1.26 -4.72 119.74 122.05 1jrq s LYS 237 Ca 0.13 2.23 0.31 0.00 -0.36 0.00 0.00 55.97 58.28 1jrq s LYS 237 Cb -0.12 -3.52 1.66 0.00 -1.51 0.00 0.00 37.83 34.34 1jrq s LYS 237 CO 0.03 -0.66 2.14 0.37 -0.36 0.00 0.00 175.35 176.86 1jrq h GLN 238 N 7.93 0.00 0.00 4.03 5.75 -2.00 -3.13 115.11 127.69 1jrq h GLN 238 Ca -0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 1jrq h GLN 238 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1jrq h GLN 238 CO 0.92 0.07 -0.91 -3.47 -2.65 0.00 0.00 178.83 172.79 1jrq n ASP 239 N -3.53 0.84 -4.82 -0.69 -0.08 -1.26 -4.95 116.55 102.06 1jrq n ASP 239 Ca -0.02 -0.77 -0.34 0.00 -1.51 0.00 0.00 54.79 52.16 1jrq n ASP 239 Cb 0.19 0.84 -0.07 0.00 2.34 0.00 0.00 41.12 44.43 1jrq n ASP 239 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jrq s ALA 240 N -3.02 3.14 -0.59 -1.67 0.00 -1.19 -4.99 121.76 113.45 1jrq s ALA 240 Ca 0.08 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.14 1jrq s ALA 240 Cb 0.16 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.27 1jrq s ALA 240 CO 0.83 0.19 0.95 0.50 0.00 0.00 0.00 175.76 178.23 1jrq s ARG 241 N -2.92 3.25 0.32 0.00 3.52 -1.26 -4.98 118.95 116.89 1jrq s ARG 241 Ca 0.58 -0.45 0.09 0.00 -0.13 0.00 0.00 55.73 55.82 1jrq s ARG 241 Cb -0.11 -4.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 1jrq s ARG 241 CO 0.16 -1.59 -0.03 -0.51 -0.81 0.00 0.00 175.30 172.51 1jrq s LEU 242 N 4.00 2.92 -0.08 -0.88 1.43 -1.26 -1.68 118.68 123.13 1jrq s LEU 242 Ca 0.28 -0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 1jrq s LEU 242 Cb -0.14 -1.31 0.03 0.00 0.03 0.00 0.00 46.19 44.79 1jrq s LEU 242 CO 0.16 -0.17 0.29 -0.76 0.23 0.00 0.00 176.35 176.10 1jrq s LEU 243 N -3.67 0.92 -0.00 1.79 1.43 -0.74 -4.58 118.68 113.82 1jrq s LEU 243 Ca 0.33 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 1jrq s LEU 243 Cb -0.01 1.05 -0.04 0.00 0.03 0.00 0.00 46.19 47.22 1jrq s LEU 243 CO 0.18 -0.20 0.15 -0.54 0.23 0.00 0.00 176.35 176.17 1jrq s LYS 244 N -0.30 3.31 -0.12 1.70 1.02 0.55 -0.40 119.74 125.50 1jrq s LYS 244 Ca -0.04 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.59 1jrq s LYS 244 Cb -0.03 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.27 1jrq s LYS 244 CO 0.01 0.66 -0.23 0.08 -0.92 0.00 0.00 175.35 174.95 1jrq s VAL 245 N -1.30 2.07 -0.08 3.17 1.01 0.69 -0.46 120.40 125.50 1jrq s VAL 245 Ca 0.26 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1jrq s VAL 245 Cb -0.12 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1jrq s VAL 245 CO 0.18 0.56 -0.01 -0.63 0.00 0.00 0.00 175.10 175.19 1jrq s ILE 246 N 0.55 4.19 0.16 2.22 -1.09 -0.98 -2.73 121.20 123.52 1jrq s ILE 246 Ca -0.14 -0.30 0.10 0.00 -2.23 0.00 0.00 60.65 58.08 1jrq s ILE 246 Cb -0.17 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 1jrq s ILE 246 CO 0.04 0.60 -0.22 -0.44 -1.23 0.00 0.00 174.94 173.69 1jrq s SER 247 N -0.89 3.01 0.13 3.58 0.01 -1.26 -1.88 113.70 116.41 1jrq s SER 247 Ca 0.13 -0.81 0.02 0.00 1.31 0.00 0.00 55.95 56.60 1jrq s SER 247 Cb -0.11 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1jrq s SER 247 CO 0.02 0.07 -0.05 -0.31 0.41 0.00 0.00 173.24 173.39 1jrq s TYR 248 N -1.60 1.08 -0.17 2.43 2.02 -0.45 -1.30 117.35 119.37 1jrq s TYR 248 Ca 0.15 -0.92 -0.07 0.00 -0.37 0.00 0.00 57.07 55.86 1jrq s TYR 248 Cb -0.08 -0.60 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1jrq s TYR 248 CO 0.07 -0.13 0.06 -1.17 -1.57 0.00 0.00 175.55 172.81 1jrq s LEU 249 N -3.11 3.83 -0.39 -1.29 2.96 -0.14 0.39 118.68 120.93 1jrq s LEU 249 Ca 0.17 0.11 -0.25 0.00 -0.22 0.00 0.00 54.13 53.95 1jrq s LEU 249 Cb 0.05 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1jrq s LEU 249 CO -0.01 0.21 0.86 -0.62 -1.32 0.00 0.00 176.35 175.47 1jrq s ASP 250 N 0.16 6.57 0.00 3.68 -1.08 0.37 -4.63 116.67 121.74 1jrq s ASP 250 Ca 0.05 0.34 0.17 0.00 -0.52 0.00 0.00 52.55 52.59 1jrq s ASP 250 Cb -0.12 -2.43 0.44 0.00 -1.46 0.00 0.00 42.92 39.35 1jrq s ASP 250 CO 0.01 -0.86 1.36 1.33 0.52 0.00 0.00 175.17 177.53 1jrq n VAL 251 N 6.02 0.85 -0.70 1.11 0.24 -1.26 -4.89 118.33 119.70 1jrq n VAL 251 Ca 0.05 -0.92 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 1jrq n VAL 251 Cb 0.48 0.63 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1jrq n VAL 251 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jrq n GLY 252 N 1.13 0.61 1.08 7.63 0.00 -1.26 -4.95 105.19 109.44 1jrq n GLY 252 Ca 0.18 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.63 3.48 0.00 1.61 5.75 -1.26 -4.93 116.55 121.82 1jrq n ASP 253 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1jrq n ASP 253 Cb 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 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 1.28 0.36 2.32 6.12 0.00 -1.26 -4.01 105.19 109.99 1jrq n GLY 254 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.32 1.18 0.25 1.61 5.15 -1.26 -4.89 115.26 116.98 1jrq n ASN 255 Ca 0.00 -2.88 0.17 0.00 -0.60 0.00 0.00 54.58 51.27 1jrq n ASN 255 Cb 0.16 -0.64 0.88 0.00 -0.53 0.00 0.00 39.78 39.65 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 4.34 0.00 -0.05 1.20 -0.00 -1.92 -1.22 116.97 119.34 1jrq h TYR 256 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.88 1jrq h TYR 256 Cb 0.82 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.55 1jrq h TYR 256 CO 0.46 0.00 0.08 -1.49 -0.00 0.00 0.00 178.16 177.22 1jrq h TRP 257 N 0.00 0.00 -0.14 0.10 4.06 -1.91 -0.68 115.95 117.38 1jrq h TRP 257 Ca 0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.00 1jrq h TRP 257 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 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 -2.20 2.53 -3.24 1.49 0.00 -0.46 -4.35 120.51 114.28 1jrq n ALA 258 Ca -0.02 -0.38 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 1jrq n ALA 258 Cb 0.17 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.02 1.25 -2.15 0.00 8.25 -0.26 -4.71 115.22 117.58 1jrq n HIS 259 Ca 0.13 -3.81 -0.36 0.00 -0.26 0.00 0.00 57.72 53.42 1jrq n HIS 259 Cb 0.22 -0.43 0.01 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.93 3.28 -0.79 -0.41 0.04 -1.26 -0.96 135.00 132.97 1jrq s PRO 260 Ca 0.38 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.16 1jrq s PRO 260 Cb 0.20 -2.06 0.20 0.00 0.04 0.00 0.00 34.50 32.88 1jrq s PRO 260 CO -0.08 -0.94 0.64 0.42 0.04 0.00 0.00 177.00 177.08 1jrq s ILE 261 N -1.64 3.94 0.44 0.56 1.01 -0.42 -4.34 121.20 120.75 1jrq s ILE 261 Ca 0.73 -3.71 -0.25 0.00 0.00 0.00 0.00 60.65 57.42 1jrq s ILE 261 Cb -0.28 -3.49 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 1jrq s ILE 261 CO 0.31 -1.02 1.35 -0.70 0.00 0.00 0.00 174.94 174.89 1jrq s GLU 262 N -1.04 3.79 -1.19 2.79 2.56 -1.26 -3.61 118.70 120.74 1jrq s GLU 262 Ca 0.24 2.26 0.00 0.00 0.00 0.00 0.00 54.97 57.47 1jrq s GLU 262 Cb -0.10 -2.67 0.00 0.00 2.00 0.00 0.00 34.13 33.36 1jrq s GLU 262 CO -0.11 -0.68 0.00 0.09 -0.56 0.00 0.00 175.26 174.01 1jrq n ASN 263 N -0.10 -4.21 -3.93 -1.70 5.03 -1.26 -4.48 115.26 104.60 1jrq n ASN 263 Ca 0.05 0.07 -0.30 0.00 0.87 0.00 0.00 54.58 55.27 1jrq n ASN 263 Cb 0.43 -3.27 -0.15 0.00 -1.02 0.00 0.00 39.78 35.77 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 -3.57 2.70 -0.05 3.41 2.96 -1.24 -0.78 118.68 122.11 1jrq s LEU 264 Ca 0.00 -1.27 0.02 0.00 -0.22 0.00 0.00 54.13 52.66 1jrq s LEU 264 Cb 0.00 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.51 1jrq s LEU 264 CO 0.00 -0.25 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.99 1jrq s VAL 265 N 1.37 0.95 0.06 1.68 1.01 -0.38 -4.39 120.40 120.71 1jrq s VAL 265 Ca -0.04 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1jrq s VAL 265 Cb -0.19 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1jrq s VAL 265 CO -0.07 0.31 -0.17 0.00 0.00 0.00 0.00 175.10 175.16 1jrq s ALA 266 N 0.63 2.65 -0.24 5.51 0.00 -1.10 0.57 121.76 129.79 1jrq s ALA 266 Ca -0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.57 1jrq s ALA 266 Cb -0.14 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1jrq s ALA 266 CO 0.02 0.58 -0.04 0.08 0.00 0.00 0.00 175.76 176.41 1jrq s VAL 267 N -1.00 3.27 -0.13 0.00 1.01 0.11 -0.23 120.40 123.43 1jrq s VAL 267 Ca 0.16 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1jrq s VAL 267 Cb -0.11 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1jrq s VAL 267 CO 0.07 0.31 0.04 -0.69 0.00 0.00 0.00 175.10 174.83 1jrq s VAL 268 N 1.43 4.63 -0.40 2.92 1.01 0.47 0.37 120.40 130.83 1jrq s VAL 268 Ca 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1jrq s VAL 268 Cb -0.15 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1jrq s VAL 268 CO -0.03 0.56 0.27 -0.62 0.00 0.00 0.00 175.10 175.28 1jrq s ASP 269 N -0.44 6.02 0.49 3.32 -1.08 -0.53 -1.80 116.67 122.65 1jrq s ASP 269 Ca 0.09 -0.89 0.22 0.00 -0.52 0.00 0.00 52.55 51.45 1jrq s ASP 269 Cb -0.12 -2.13 1.27 0.00 -1.46 0.00 0.00 42.92 40.49 1jrq s ASP 269 CO 0.02 -0.42 2.05 -0.07 0.52 0.00 0.00 175.17 177.27 1jrq h LEU 270 N 8.57 0.00 0.10 -1.34 3.38 -1.62 0.16 115.31 124.56 1jrq h LEU 270 Ca -0.27 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.43 1jrq h LEU 270 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1jrq h LEU 270 CO 0.71 0.14 -1.30 -0.33 0.09 0.00 0.00 178.44 177.75 1jrq h GLU 271 N 0.00 0.20 0.00 1.13 4.39 -1.93 -3.23 114.58 115.14 1jrq h GLU 271 Ca -0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1jrq h GLU 271 Cb 0.31 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1jrq h GLU 271 CO 0.02 1.12 -0.51 1.96 -1.16 0.00 0.00 179.01 180.44 1jrq h GLN 272 N 0.06 0.00 -5.72 2.33 4.20 -1.90 -3.48 115.11 110.60 1jrq h GLN 272 Ca -0.15 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.23 1jrq h GLN 272 Cb 1.95 0.00 0.15 0.00 0.30 0.00 0.00 27.48 29.88 1jrq h GLN 272 CO 0.17 0.00 -0.83 1.63 -0.67 0.00 0.00 178.83 179.13 1jrq n LYS 273 N -2.17 -4.07 -3.50 1.46 5.02 0.55 -5.00 118.16 110.44 1jrq n LYS 273 Ca 0.04 0.77 -0.11 0.00 -2.02 0.00 0.00 58.31 56.99 1jrq n LYS 273 Cb 0.44 -5.54 -0.03 0.00 -0.02 0.00 0.00 35.03 29.88 1jrq n LYS 273 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1jrq s LYS 274 N -5.18 0.92 0.01 1.97 -2.85 -1.10 -4.97 119.74 108.54 1jrq s LYS 274 Ca 0.22 -0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 54.73 1jrq s LYS 274 Cb -0.04 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 1jrq s LYS 274 CO 0.76 -0.37 1.23 0.42 0.10 0.00 0.00 175.35 177.50 1jrq s ILE 275 N -2.57 4.07 -1.09 3.79 1.01 -1.26 -1.45 121.20 123.69 1jrq s ILE 275 Ca 0.00 1.45 0.11 0.00 0.00 0.00 0.00 60.65 62.21 1jrq s ILE 275 Cb -0.01 -3.93 0.27 0.00 0.01 0.00 0.00 42.46 38.80 1jrq s ILE 275 CO -0.05 0.05 1.18 1.33 0.00 0.00 0.00 174.94 177.45 1jrq n VAL 276 N 4.28 0.77 -3.65 2.92 0.24 0.16 -4.93 118.33 118.12 1jrq n VAL 276 Ca 0.10 -0.88 -0.01 0.00 -2.04 0.00 0.00 64.34 61.51 1jrq n VAL 276 Cb 0.46 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 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 -0.99 0.07 -0.10 7.34 2.20 -1.18 -4.96 119.74 122.11 1jrq s LYS 277 Ca 0.22 0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 1jrq s LYS 277 Cb 0.12 0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1jrq s LYS 277 CO 0.16 -0.01 -0.16 0.42 -0.36 0.00 0.00 175.35 175.40 1jrq s ILE 278 N 0.39 1.52 -0.13 5.43 1.01 -1.26 0.07 121.20 128.24 1jrq s ILE 278 Ca 0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1jrq s ILE 278 Cb -0.04 -1.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1jrq s ILE 278 CO -0.14 0.44 -0.11 -1.61 0.00 0.00 0.00 174.94 173.52 1jrq s GLU 279 N 0.80 3.35 -0.02 2.79 2.02 0.19 -5.00 118.70 122.83 1jrq s GLU 279 Ca -0.11 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 54.28 1jrq s GLU 279 Cb -0.16 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 1jrq s GLU 279 CO 0.01 0.26 -0.18 -1.21 0.02 0.00 0.00 175.26 174.17 1jrq s GLU 280 N 0.23 1.60 0.00 1.61 2.02 -1.26 -1.25 118.70 121.66 1jrq s GLU 280 Ca -0.07 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.27 1jrq s GLU 280 Cb -0.15 -1.49 0.00 0.00 0.10 0.00 0.00 34.13 32.59 1jrq s GLU 280 CO 0.05 0.34 0.00 0.41 0.02 0.00 0.00 175.26 176.08 1jrq n GLY 281 N 2.81 4.34 3.46 -1.39 0.00 0.04 -5.02 105.19 109.44 1jrq n GLY 281 Ca -0.16 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.41 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 0.34 -3.15 1.61 -0.02 -1.26 -4.91 135.00 127.60 1jrq n PRO 282 Ca 0.00 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 1jrq n PRO 282 Cb 0.00 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.87 5.02 -0.13 -1.45 1.01 -1.26 -4.64 120.40 117.07 1jrq s VAL 283 Ca 0.66 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1jrq s VAL 283 Cb -0.37 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1jrq s VAL 283 CO 0.58 0.06 -0.22 -0.69 0.00 0.00 0.00 175.10 174.83 1jrq s VAL 284 N 2.35 2.15 0.28 2.92 1.01 -1.26 -5.09 120.40 122.76 1jrq s VAL 284 Ca 0.25 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1jrq s VAL 284 Cb -0.16 -1.85 -0.12 0.00 0.00 0.00 0.00 36.38 34.25 1jrq s VAL 284 CO 0.09 0.55 1.50 -2.65 0.00 0.00 0.00 175.10 174.59 1jrq n PRO 285 N 3.91 2.40 -2.09 2.72 -0.02 -1.26 -4.62 135.00 136.05 1jrq n PRO 285 Ca -0.20 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1jrq n PRO 285 Cb 0.52 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.11 3.09 0.04 -1.45 1.01 -1.26 -4.81 120.40 116.91 1jrq s VAL 286 Ca 0.65 0.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 1jrq s VAL 286 Cb -0.56 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1jrq s VAL 286 CO 0.50 0.05 1.90 -2.84 0.00 0.00 0.00 175.10 174.72 1jrq s PRO 287 N 1.23 4.15 -0.06 2.72 0.02 -1.26 -4.88 135.00 136.92 1jrq s PRO 287 Ca 0.67 2.56 0.20 0.00 0.02 0.00 0.00 61.00 64.44 1jrq s PRO 287 Cb -0.39 -4.03 -0.25 0.00 0.02 0.00 0.00 34.50 29.85 1jrq s PRO 287 CO 0.30 -0.92 0.44 -1.33 -0.33 0.00 0.00 177.00 175.17 1jrq n MET 288 N 7.11 0.66 -1.65 5.54 2.81 -1.26 -4.46 117.12 125.87 1jrq n MET 288 Ca 0.19 -0.03 -0.51 0.00 -1.81 0.00 0.00 57.70 55.54 1jrq n MET 288 Cb 0.41 -1.60 -0.06 0.00 -0.71 0.00 0.00 33.22 31.27 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 -2.58 0.15 -1.72 2.03 -1.04 -1.26 -4.89 114.28 104.96 1jrq n THR 289 Ca -0.15 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.41 1jrq n THR 289 Cb 0.83 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 68.07 1jrq n THR 289 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jrq n ALA 290 N 3.92 2.79 -3.18 2.41 0.00 -1.26 -4.93 120.51 120.25 1jrq n ALA 290 Ca 0.20 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.83 1jrq n ALA 290 Cb 0.22 -2.52 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 1jrq n ALA 290 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jrq n ARG 291 N 4.04 1.09 -2.02 0.00 5.12 -1.26 -5.11 116.66 118.52 1jrq n ARG 291 Ca 0.16 -3.47 -0.36 0.00 -1.93 0.00 0.00 57.85 52.24 1jrq n ARG 291 Cb 0.35 -1.62 0.03 0.00 -1.16 0.00 0.00 32.46 30.06 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 -2.14 3.11 0.00 5.56 0.04 -1.26 -4.75 135.00 135.56 1jrq s PRO 292 Ca 0.39 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.33 1jrq s PRO 292 Cb 0.29 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1jrq s PRO 292 CO -0.09 -1.11 0.39 1.97 0.04 0.00 0.00 177.00 178.20 1jrq n PHE 293 N -1.35 0.00 1.35 0.56 1.16 -1.26 -4.73 117.46 113.19 1jrq n PHE 293 Ca 0.12 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.75 1jrq n PHE 293 Cb 0.49 0.00 0.18 0.00 -1.61 0.00 0.00 39.48 38.54 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 -0.30 1.15 0.00 5.98 5.75 -1.26 -4.93 116.55 122.94 1jrq n ASP 294 Ca 0.01 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1jrq n ASP 294 Cb 0.04 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 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 0.89 1.36 0.43 6.12 0.00 -1.26 -4.90 105.19 107.82 1jrq n GLY 295 Ca 0.09 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.35 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 2.87 0.15 -0.52 1.61 0.11 -1.93 0.13 114.38 116.81 1jrq h ARG 296 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1jrq h ARG 296 Cb 0.00 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1jrq h ARG 296 CO 0.00 0.10 0.00 -0.40 0.10 0.00 0.00 179.97 179.77 1jrq n ASP 297 N -4.38 4.49 -4.37 0.08 5.75 -1.26 -5.00 116.55 111.86 1jrq n ASP 297 Ca 0.17 -2.58 -0.18 0.00 -0.01 0.00 0.00 54.79 52.19 1jrq n ASP 297 Cb 0.80 -0.54 -0.10 0.00 -1.03 0.00 0.00 41.12 40.25 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 -2.08 1.49 -0.09 0.11 1.81 0.46 -5.14 118.95 115.52 1jrq s ARG 298 Ca 0.46 -1.81 -0.02 0.00 -1.72 0.00 0.00 55.73 52.64 1jrq s ARG 298 Cb 0.32 -0.54 0.04 0.00 -0.45 0.00 0.00 34.95 34.31 1jrq s ARG 298 CO 0.19 -0.23 0.05 0.08 -0.68 0.00 0.00 175.30 174.71 1jrq s VAL 299 N -3.53 0.10 0.50 3.52 1.01 -1.26 -4.95 120.40 115.78 1jrq s VAL 299 Ca 0.36 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 1jrq s VAL 299 Cb 0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.95 1jrq s VAL 299 CO 0.14 0.08 0.98 0.00 0.00 0.00 0.00 175.10 176.30 1jrq s ALA 300 N 2.07 3.04 0.37 5.51 0.00 -1.26 -5.02 121.76 126.48 1jrq s ALA 300 Ca 0.04 0.25 -0.27 0.00 0.00 0.00 0.00 51.96 51.98 1jrq s ALA 300 Cb -0.13 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1jrq s ALA 300 CO -0.05 -0.17 1.23 -2.14 0.00 0.00 0.00 175.76 174.63 1jrq s PRO 301 N -3.83 4.19 0.58 0.00 0.02 -1.26 -4.97 135.00 129.73 1jrq s PRO 301 Ca 0.60 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 63.44 1jrq s PRO 301 Cb -0.10 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 1jrq s PRO 301 CO 0.27 -0.26 1.16 0.00 -0.33 0.00 0.00 177.00 177.84 1jrq s ALA 302 N -1.27 2.60 -0.01 -1.55 0.00 -1.26 -5.03 121.76 115.23 1jrq s ALA 302 Ca 0.53 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.39 1jrq s ALA 302 Cb -0.35 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.37 1jrq s ALA 302 CO 0.45 -1.00 -0.07 0.08 0.00 0.00 0.00 175.76 175.22 1jrq s VAL 303 N -1.76 0.60 0.44 0.00 1.01 -1.26 -5.13 120.40 114.29 1jrq s VAL 303 Ca 0.74 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 1jrq s VAL 303 Cb -0.26 -0.51 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 1jrq s VAL 303 CO 0.31 0.18 1.18 -0.54 0.00 0.00 0.00 175.10 176.23 1jrq s LYS 304 N -0.06 3.87 0.58 2.72 3.01 -1.26 -4.96 119.74 123.63 1jrq s LYS 304 Ca 0.01 1.84 -0.20 0.00 -1.01 0.00 0.00 55.97 56.62 1jrq s LYS 304 Cb -0.04 -2.53 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 1jrq s LYS 304 CO -0.00 -0.48 1.25 -1.25 0.51 0.00 0.00 175.35 175.38 1jrq s PRO 305 N -2.52 3.02 -0.03 -1.68 0.04 -1.26 -5.05 135.00 127.53 1jrq s PRO 305 Ca 0.61 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 1jrq s PRO 305 Cb -0.30 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.23 1jrq s PRO 305 CO 0.38 -1.20 0.05 1.41 0.04 0.00 0.00 177.00 177.68 1jrq s MET 306 N -3.18 -0.01 0.05 4.56 1.75 -1.26 -5.16 119.30 116.05 1jrq s MET 306 Ca 0.76 0.23 0.03 0.00 -1.25 0.00 0.00 55.69 55.45 1jrq s MET 306 Cb -0.34 -0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.07 1jrq s MET 306 CO 0.37 -0.17 -0.08 -0.65 -0.65 0.00 0.00 175.02 173.84 1jrq s GLN 307 N 1.10 0.57 -0.31 4.11 -0.21 -1.26 -5.02 119.66 118.64 1jrq s GLN 307 Ca -0.09 -0.80 -0.00 0.00 0.02 0.00 0.00 55.36 54.49 1jrq s GLN 307 Cb -0.13 -0.35 0.07 0.00 1.00 0.00 0.00 33.01 33.60 1jrq s GLN 307 CO -0.04 0.06 0.01 0.42 -2.12 0.00 0.00 175.29 173.62 1jrq s ILE 308 N -1.44 2.76 0.15 1.08 1.01 -1.26 -5.09 121.20 118.40 1jrq s ILE 308 Ca -0.08 -1.64 0.09 0.00 0.00 0.00 0.00 60.65 59.02 1jrq s ILE 308 Cb -0.09 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1jrq s ILE 308 CO 0.00 -0.22 -0.17 0.27 0.00 0.00 0.00 174.94 174.83 1jrq s ILE 309 N 1.16 2.86 -0.49 2.92 -4.36 -1.26 -3.70 121.20 118.33 1jrq s ILE 309 Ca -0.02 -1.62 0.05 0.00 -0.26 0.00 0.00 60.65 58.79 1jrq s ILE 309 Cb -0.20 -2.35 0.19 0.00 1.25 0.00 0.00 42.46 41.35 1jrq s ILE 309 CO -0.03 0.01 0.45 -0.62 0.24 0.00 0.00 174.94 174.99 1jrq n GLU 310 N 0.52 0.88 0.31 0.37 1.02 -1.26 -4.99 120.64 117.48 1jrq n GLU 310 Ca -0.14 -3.61 0.18 0.00 -0.02 0.00 0.00 57.16 53.57 1jrq n GLU 310 Cb 0.54 -1.76 0.95 0.00 -0.02 0.00 0.00 31.44 31.14 1jrq n GLU 310 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1jrq h PRO 311 N 5.09 0.00 -0.30 3.49 0.13 -1.97 -0.92 132.00 137.52 1jrq h PRO 311 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1jrq h PRO 311 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1jrq h PRO 311 CO 0.51 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.67 1jrq n GLU 312 N -3.10 2.99 0.00 0.86 1.02 -1.26 -3.18 120.64 117.97 1jrq n GLU 312 Ca -0.02 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.49 1jrq n GLU 312 Cb 0.28 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 -0.16 -3.41 3.95 0.62 0.00 -0.35 -4.80 105.19 101.04 1jrq n GLY 313 Ca 0.19 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.70 3.16 0.04 1.61 -0.14 -1.26 -4.81 119.74 117.65 1jrq s LYS 314 Ca 0.00 -0.41 0.25 0.00 -1.36 0.00 0.00 55.97 54.45 1jrq s LYS 314 Cb 0.00 -2.56 0.56 0.00 -1.68 0.00 0.00 37.83 34.15 1jrq s LYS 314 CO 0.00 -0.20 1.46 0.09 -0.76 0.00 0.00 175.35 175.94 1jrq n ASN 315 N -2.05 0.50 -4.86 2.83 4.13 -1.26 -4.87 115.26 109.68 1jrq n ASN 315 Ca 0.00 -0.02 -0.28 0.00 1.68 0.00 0.00 54.58 55.96 1jrq n ASN 315 Cb 0.57 0.11 -0.05 0.00 -1.54 0.00 0.00 39.78 38.87 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 -3.05 3.31 0.02 3.10 1.13 -1.26 -4.48 117.35 116.12 1jrq s TYR 316 Ca 0.10 0.08 0.08 0.00 -1.41 0.00 0.00 57.07 55.92 1jrq s TYR 316 Cb 0.16 -1.62 -0.02 0.00 -1.10 0.00 0.00 41.96 39.39 1jrq s TYR 316 CO 0.68 0.53 -0.23 0.99 -2.51 0.00 0.00 175.55 175.01 1jrq s THR 317 N -1.64 1.84 -0.25 -3.49 2.01 -0.42 -4.71 115.64 108.99 1jrq s THR 317 Ca 0.32 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1jrq s THR 317 Cb -0.11 -1.56 0.06 0.00 0.01 0.00 0.00 72.50 70.89 1jrq s THR 317 CO 0.25 0.37 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.82 1jrq s ILE 318 N -0.69 2.00 -0.43 1.82 1.01 0.81 -1.12 121.20 124.59 1jrq s ILE 318 Ca 0.09 -1.47 -0.05 0.00 0.00 0.00 0.00 60.65 59.22 1jrq s ILE 318 Cb -0.09 -2.12 0.11 0.00 0.01 0.00 0.00 42.46 40.37 1jrq s ILE 318 CO 0.01 0.00 0.25 -0.89 0.00 0.00 0.00 174.94 174.31 1jrq s THR 319 N 1.19 3.60 0.00 2.92 2.01 0.29 -0.79 115.64 124.86 1jrq s THR 319 Ca -0.07 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 59.97 1jrq s THR 319 Cb -0.19 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1jrq s THR 319 CO -0.06 -0.71 0.00 0.61 -0.69 0.00 0.00 174.62 173.77 1jrq n GLY 320 N 4.70 2.28 0.28 4.40 0.00 -1.24 -0.98 105.19 114.63 1jrq n GLY 320 Ca -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 9.84 2.06 -4.64 1.61 8.00 -1.26 -4.98 116.55 127.18 1jrq n ASP 321 Ca 0.00 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.39 1jrq n ASP 321 Cb 0.00 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 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 -0.78 4.16 -0.17 -1.24 -1.94 -0.15 -1.41 119.30 117.76 1jrq s MET 322 Ca 0.10 0.85 -0.06 0.00 -1.71 0.00 0.00 55.69 54.87 1jrq s MET 322 Cb 0.05 -3.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.21 1jrq s MET 322 CO 0.08 -0.50 0.02 0.42 -0.01 0.00 0.00 175.02 175.02 1jrq s ILE 323 N 2.78 4.39 -0.12 2.53 1.01 0.61 -0.55 121.20 131.86 1jrq s ILE 323 Ca 0.33 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.83 1jrq s ILE 323 Cb -0.15 -2.96 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 1jrq s ILE 323 CO 0.08 0.47 -0.20 -2.28 0.00 0.00 0.00 174.94 173.01 1jrq s HIS 324 N 0.41 2.66 -0.23 3.97 5.65 -0.28 -1.74 115.29 125.73 1jrq s HIS 324 Ca 0.00 -0.95 -0.05 0.00 0.25 0.00 0.00 55.06 54.31 1jrq s HIS 324 Cb -0.13 -1.77 0.12 0.00 -1.18 0.00 0.00 32.58 29.61 1jrq s HIS 324 CO 0.01 -0.38 0.46 -0.46 -0.65 0.00 0.00 174.74 173.72 1jrq s TRP 325 N 0.42 -0.97 0.00 3.88 -0.00 -0.41 -1.30 118.94 120.57 1jrq s TRP 325 Ca -0.15 1.46 0.00 0.00 -0.00 0.00 0.00 56.10 57.42 1jrq s TRP 325 Cb -0.17 0.32 0.00 0.00 -0.00 0.00 0.00 33.47 33.62 1jrq s TRP 325 CO 0.06 -0.62 0.00 0.54 -0.00 0.00 0.00 176.95 176.94 1jrq n ARG 326 N 5.40 0.00 0.00 5.86 5.12 -1.26 -0.30 116.66 131.47 1jrq n ARG 326 Ca -0.07 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 55.99 1jrq n ARG 326 Cb 0.50 0.00 0.51 0.00 -1.16 0.00 0.00 32.46 32.30 1jrq n ARG 326 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1jrq n ASN 327 N 5.78 1.35 -4.89 0.55 5.03 -1.26 -4.92 115.26 116.90 1jrq n ASN 327 Ca 0.00 -1.35 -0.31 0.00 0.87 0.00 0.00 54.58 53.80 1jrq n ASN 327 Cb 0.00 0.03 -0.05 0.00 -1.02 0.00 0.00 39.78 38.74 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 -2.11 3.45 -0.11 3.10 0.52 0.59 0.68 118.94 125.07 1jrq s TRP 328 Ca 0.35 0.70 -0.06 0.00 0.02 0.00 0.00 56.10 57.11 1jrq s TRP 328 Cb 0.21 -2.13 0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1jrq s TRP 328 CO 0.38 0.30 0.26 -0.51 0.02 0.00 0.00 176.95 177.39 1jrq s ASP 329 N -2.61 -0.28 0.17 2.95 1.01 -1.02 -1.29 116.67 115.61 1jrq s ASP 329 Ca 0.44 0.54 -0.24 0.00 0.71 0.00 0.00 52.55 54.01 1jrq s ASP 329 Cb -0.11 0.44 0.06 0.00 1.01 0.00 0.00 42.92 44.32 1jrq s ASP 329 CO 0.25 -0.15 0.76 0.72 0.21 0.00 0.00 175.17 176.95 1jrq s PHE 330 N 1.09 -0.31 -0.12 4.23 -0.71 -0.71 -1.55 117.98 119.90 1jrq s PHE 330 Ca -0.08 0.01 0.01 0.00 -1.04 0.00 0.00 56.93 55.83 1jrq s PHE 330 Cb -0.09 0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 42.33 1jrq s PHE 330 CO -0.07 -0.93 -0.15 -1.58 -1.34 0.00 0.00 175.22 171.15 1jrq s HIS 331 N -3.61 2.77 -0.22 3.49 2.46 0.49 -0.28 115.29 120.39 1jrq s HIS 331 Ca 0.07 -0.70 -0.02 0.00 0.47 0.00 0.00 55.06 54.88 1jrq s HIS 331 Cb -0.03 -1.82 0.01 0.00 -0.13 0.00 0.00 32.58 30.61 1jrq s HIS 331 CO -0.03 -0.24 -0.08 -1.17 -2.47 0.00 0.00 174.74 170.76 1jrq s LEU 332 N 0.33 2.84 0.23 8.88 2.96 -0.50 -0.03 118.68 133.39 1jrq s LEU 332 Ca -0.12 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1jrq s LEU 332 Cb -0.16 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 1jrq s LEU 332 CO 0.06 -0.05 0.04 -0.94 -1.32 0.00 0.00 176.35 174.14 1jrq s SER 333 N 1.40 1.47 -0.01 3.68 1.04 -0.75 -4.76 113.70 115.77 1jrq s SER 333 Ca 0.04 -1.27 0.06 0.00 0.48 0.00 0.00 55.95 55.26 1jrq s SER 333 Cb -0.15 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 1jrq s SER 333 CO -0.06 -0.61 -0.18 -0.32 0.98 0.00 0.00 173.24 173.06 1jrq s MET 334 N -3.94 2.26 -0.05 4.02 1.75 -1.26 -0.88 119.30 121.19 1jrq s MET 334 Ca 0.31 -0.85 0.05 0.00 -1.25 0.00 0.00 55.69 53.94 1jrq s MET 334 Cb 0.07 -2.24 -0.00 0.00 2.84 0.00 0.00 34.83 35.49 1jrq s MET 334 CO 0.09 0.58 -0.19 1.21 -0.65 0.00 0.00 175.02 176.06 1jrq s ASN 335 N -0.99 2.43 0.48 1.11 3.84 0.18 -4.89 114.94 117.10 1jrq s ASN 335 Ca 0.12 -0.41 0.20 0.00 0.21 0.00 0.00 52.86 52.99 1jrq s ASN 335 Cb -0.10 -0.75 1.20 0.00 -0.55 0.00 0.00 41.25 41.05 1jrq s ASN 335 CO 0.02 0.17 2.02 0.77 -2.79 0.00 0.00 177.10 177.29 1jrq h SER 336 N 6.31 0.00 0.00 -4.21 4.64 -1.90 -0.57 113.55 117.82 1jrq h SER 336 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1jrq h SER 336 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1jrq h SER 336 CO 0.47 0.16 -0.18 -0.09 -0.87 0.00 0.00 176.83 176.33 1jrq h ARG 337 N 0.00 0.00 -0.03 4.77 2.43 -1.89 0.24 114.38 119.90 1jrq h ARG 337 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jrq h ARG 337 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1jrq h ARG 337 CO 0.02 0.00 0.00 1.33 -1.51 0.00 0.00 179.97 179.81 1jrq n VAL 338 N -4.37 0.00 -2.30 0.20 0.24 -1.25 -2.13 118.33 108.72 1jrq n VAL 338 Ca -0.02 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1jrq n VAL 338 Cb 0.09 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.83 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 1.33 0.66 3.76 7.63 0.00 -0.22 -4.44 105.19 113.90 1jrq n GLY 339 Ca 0.15 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 4.27 -0.11 1.61 0.04 -1.26 -0.64 135.00 138.90 1jrq s PRO 340 Ca 0.00 2.32 0.02 0.00 0.04 0.00 0.00 61.00 63.38 1jrq s PRO 340 Cb 0.00 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.48 1jrq s PRO 340 CO 0.00 -0.36 -0.17 -1.64 0.04 0.00 0.00 177.00 174.87 1jrq s MET 341 N -1.16 2.40 -0.28 4.56 -1.94 -0.06 -4.30 119.30 118.52 1jrq s MET 341 Ca 0.55 -0.63 -0.10 0.00 -1.71 0.00 0.00 55.69 53.80 1jrq s MET 341 Cb -0.42 -1.99 -0.04 0.00 2.01 0.00 0.00 34.83 34.39 1jrq s MET 341 CO 0.50 -0.03 0.15 0.42 -0.01 0.00 0.00 175.02 176.05 1jrq s ILE 342 N 0.90 4.93 0.24 2.53 -1.09 0.38 -1.80 121.20 127.29 1jrq s ILE 342 Ca -0.08 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1jrq s ILE 342 Cb -0.15 -3.37 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 1jrq s ILE 342 CO -0.01 0.24 0.01 -0.44 -1.23 0.00 0.00 174.94 173.52 1jrq s SER 343 N 1.70 1.83 -1.20 3.58 0.01 0.96 0.33 113.70 120.90 1jrq s SER 343 Ca 0.07 -1.25 -0.26 0.00 1.31 0.00 0.00 55.95 55.81 1jrq s SER 343 Cb -0.16 0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.12 1jrq s SER 343 CO 0.08 -0.55 0.49 0.35 0.41 0.00 0.00 173.24 174.03 1jrq n THR 344 N -0.45 -2.08 -2.88 1.44 -2.24 0.13 -0.38 114.28 107.81 1jrq n THR 344 Ca -0.04 -0.53 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1jrq n THR 344 Cb 0.64 -1.80 -0.04 0.00 -2.10 0.00 0.00 70.33 67.03 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 -3.78 4.86 0.13 2.28 1.01 0.10 -4.23 120.40 120.78 1jrq s VAL 345 Ca 0.36 1.64 0.04 0.00 0.00 0.00 0.00 61.98 64.03 1jrq s VAL 345 Cb -0.20 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1jrq s VAL 345 CO 0.91 -0.00 -0.10 0.42 0.00 0.00 0.00 175.10 176.33 1jrq s THR 346 N 2.32 1.06 -0.17 3.92 -4.23 -0.60 -1.34 115.64 116.60 1jrq s THR 346 Ca 0.38 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1jrq s THR 346 Cb -0.16 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 71.96 1jrq s THR 346 CO 0.11 -0.73 -0.18 -0.47 -0.54 0.00 0.00 174.62 172.82 1jrq s TYR 347 N -3.20 2.78 -0.65 3.99 6.14 -0.17 -2.44 117.35 123.81 1jrq s TYR 347 Ca 0.14 -1.37 -0.27 0.00 0.64 0.00 0.00 57.07 56.20 1jrq s TYR 347 Cb 0.02 -1.91 0.03 0.00 0.42 0.00 0.00 41.96 40.52 1jrq s TYR 347 CO -0.00 -0.66 1.22 1.21 0.64 0.00 0.00 175.55 177.95 1jrq s ASN 348 N 1.11 6.32 -0.54 4.32 3.04 0.22 -0.90 114.94 128.50 1jrq s ASN 348 Ca 0.00 -0.17 -0.20 0.00 0.04 0.00 0.00 52.86 52.54 1jrq s ASN 348 Cb -0.14 -2.55 0.07 0.00 -1.54 0.00 0.00 41.25 37.09 1jrq s ASN 348 CO -0.07 -1.62 0.69 -0.62 -3.04 0.00 0.00 177.10 172.44 1jrq s ASP 349 N 3.30 6.22 -1.73 -4.21 -1.08 0.12 -4.45 116.67 114.85 1jrq s ASP 349 Ca 0.39 -0.99 -0.18 0.00 -0.52 0.00 0.00 52.55 51.26 1jrq s ASP 349 Cb -0.08 -2.31 0.16 0.00 -1.46 0.00 0.00 42.92 39.23 1jrq s ASP 349 CO 0.20 -1.00 0.65 -3.20 0.52 0.00 0.00 175.17 172.34 1jrq n ASN 350 N 6.40 -2.35 0.00 -0.34 5.15 -1.26 -0.65 115.26 122.21 1jrq n ASN 350 Ca -0.06 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.82 1jrq n ASN 350 Cb 0.45 -2.36 0.00 0.00 -0.53 0.00 0.00 39.78 37.34 1jrq n ASN 350 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jrq n GLY 351 N -1.43 1.37 3.26 8.20 0.00 -1.26 -5.06 105.19 110.28 1jrq n GLY 351 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.29 2.86 -0.22 2.61 2.01 0.17 -5.08 115.64 115.71 1jrq s THR 352 Ca 0.00 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 1jrq s THR 352 Cb 0.00 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1jrq s THR 352 CO 0.00 0.48 1.29 -0.54 -0.69 0.00 0.00 174.62 175.16 1jrq s LYS 353 N 1.14 4.11 -0.11 4.92 1.02 -1.26 0.14 119.74 129.70 1jrq s LYS 353 Ca 0.01 1.51 -0.01 0.00 0.02 0.00 0.00 55.97 57.50 1jrq s LYS 353 Cb -0.14 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1jrq s LYS 353 CO -0.04 -0.87 -0.07 1.03 -0.92 0.00 0.00 175.35 174.48 1jrq s ARG 354 N 3.77 3.20 0.35 1.68 0.52 -0.08 -4.90 118.95 123.50 1jrq s ARG 354 Ca 0.56 -0.57 -0.28 0.00 -0.52 0.00 0.00 55.73 54.91 1jrq s ARG 354 Cb -0.20 -2.71 -0.11 0.00 0.52 0.00 0.00 34.95 32.45 1jrq s ARG 354 CO 0.18 0.42 1.43 0.15 0.02 0.00 0.00 175.30 177.50 1jrq s LYS 355 N -0.16 4.20 0.10 3.54 1.02 -1.26 -1.00 119.74 126.19 1jrq s LYS 355 Ca 0.02 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1jrq s LYS 355 Cb -0.13 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1jrq s LYS 355 CO 0.03 -0.42 0.00 0.28 -0.92 0.00 0.00 175.35 174.32 1jrq n VAL 356 N 0.79 0.50 -3.72 3.17 0.31 -0.45 -0.02 118.33 118.90 1jrq n VAL 356 Ca 0.01 0.16 -0.14 0.00 -0.01 0.00 0.00 64.34 64.37 1jrq n VAL 356 Cb 0.40 -1.19 -0.14 0.00 -0.91 0.00 0.00 33.84 31.99 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 0.10 -0.03 5.55 1.75 -0.88 -1.00 119.30 122.79 1jrq s MET 357 Ca 0.00 0.46 -0.25 0.00 -1.25 0.00 0.00 55.69 54.66 1jrq s MET 357 Cb 0.00 -0.19 -0.19 0.00 2.84 0.00 0.00 34.83 37.30 1jrq s MET 357 CO 0.00 -0.21 1.15 -0.92 -0.65 0.00 0.00 175.02 174.40 1jrq h TYR 358 N 7.58 -0.12 -2.62 4.11 3.20 -1.26 0.30 116.97 128.16 1jrq h TYR 358 Ca -0.34 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.42 1jrq h TYR 358 Cb 1.13 0.04 -0.23 0.00 1.54 0.00 0.00 36.73 39.21 1jrq h TYR 358 CO 0.42 0.34 -0.17 -1.21 -1.64 0.00 0.00 178.16 175.89 1jrq s GLU 359 N -4.08 0.54 -0.02 1.82 2.02 -1.24 0.17 118.70 117.91 1jrq s GLU 359 Ca -0.15 0.62 -0.04 0.00 0.02 0.00 0.00 54.97 55.42 1jrq s GLU 359 Cb 0.01 0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1jrq s GLU 359 CO 0.60 -0.07 0.10 0.20 0.02 0.00 0.00 175.26 176.12 1jrq s GLY 360 N 0.21 0.00 0.05 -1.39 0.00 0.15 -0.48 107.32 105.86 1jrq s GLY 360 Ca -0.00 0.05 -0.27 0.00 0.00 0.00 0.00 44.72 44.49 1jrq s GLY 360 CO 0.01 -0.03 1.19 -1.35 0.00 0.00 0.00 173.10 172.92 1jrq s SER 361 N -0.62 -0.05 0.35 1.64 1.04 -0.72 -0.47 113.70 114.87 1jrq s SER 361 Ca -0.07 -0.30 -0.28 0.00 0.48 0.00 0.00 55.95 55.78 1jrq s SER 361 Cb -0.04 0.27 -0.10 0.00 0.10 0.00 0.00 66.02 66.25 1jrq s SER 361 CO 0.00 -0.52 1.28 -0.22 0.98 0.00 0.00 173.24 174.76 1jrq s LEU 362 N -3.25 4.38 -0.16 2.42 2.96 -1.26 -1.44 118.68 122.32 1jrq s LEU 362 Ca 0.19 2.63 -0.12 0.00 -0.22 0.00 0.00 54.13 56.61 1jrq s LEU 362 Cb 0.01 -3.72 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1jrq s LEU 362 CO -0.00 -0.58 -0.08 1.23 -1.32 0.00 0.00 176.35 175.60 1jrq h GLY 363 N 3.22 0.00 -2.72 7.98 0.00 -0.35 -3.42 103.07 107.77 1jrq h GLY 363 Ca -0.49 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.14 1jrq h GLY 363 CO 0.65 0.00 0.77 -0.32 0.00 0.00 0.00 176.54 177.64 1jrq s GLY 364 N -4.39 -0.38 0.11 4.60 0.00 -1.00 -4.45 107.32 101.81 1jrq s GLY 364 Ca -0.18 0.61 -0.14 0.00 0.00 0.00 0.00 44.72 45.01 1jrq s GLY 364 CO 0.31 0.11 0.35 -3.16 0.00 0.00 0.00 173.10 170.71 1jrq s MET 365 N -2.58 0.99 -0.06 2.90 0.23 -1.26 -0.76 119.30 118.76 1jrq s MET 365 Ca 0.14 -0.73 -0.09 0.00 -1.03 0.00 0.00 55.69 53.98 1jrq s MET 365 Cb 0.04 0.43 0.02 0.00 -1.53 0.00 0.00 34.83 33.79 1jrq s MET 365 CO -0.03 -0.37 0.22 -1.50 -2.03 0.00 0.00 175.02 171.31 1jrq s ILE 366 N -3.66 0.02 -0.52 3.16 1.10 0.11 -3.44 121.20 117.99 1jrq s ILE 366 Ca 0.02 -0.20 0.03 0.00 -0.51 0.00 0.00 60.65 60.00 1jrq s ILE 366 Cb 0.02 -0.38 0.15 0.00 0.15 0.00 0.00 42.46 42.40 1jrq s ILE 366 CO -0.11 -0.11 0.31 -0.69 -2.11 0.00 0.00 174.94 172.24 1jrq s VAL 367 N -0.36 1.95 0.00 4.00 1.01 0.49 -0.85 120.40 126.64 1jrq s VAL 367 Ca -0.05 -3.17 -0.18 0.00 0.00 0.00 0.00 61.98 58.59 1jrq s VAL 367 Cb -0.03 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1jrq s VAL 367 CO 0.01 -0.93 0.50 -2.16 0.00 0.00 0.00 175.10 172.52 1jrq s PRO 368 N -0.27 4.15 0.47 2.72 0.04 -1.23 -1.69 135.00 139.19 1jrq s PRO 368 Ca 0.21 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 1jrq s PRO 368 Cb -0.17 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1jrq s PRO 368 CO -0.06 0.53 0.72 -0.06 0.04 0.00 0.00 177.00 178.17 1jrq s PHE 369 N -0.63 3.27 -0.37 0.56 0.40 -0.52 -2.21 117.98 118.47 1jrq s PHE 369 Ca 0.27 0.36 0.14 0.00 -0.60 0.00 0.00 56.93 57.10 1jrq s PHE 369 Cb -0.18 -2.37 0.39 0.00 0.51 0.00 0.00 43.02 41.37 1jrq s PHE 369 CO 0.15 -0.42 1.30 0.41 0.70 0.00 0.00 175.22 177.37 1jrq n GLY 370 N -2.17 3.71 3.77 4.36 0.00 -0.81 -4.95 105.19 109.09 1jrq n GLY 370 Ca 0.02 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.72 6.36 0.35 1.61 -1.08 -1.26 -4.96 116.67 115.97 1jrq s ASP 371 Ca 0.32 0.42 0.22 0.00 -0.52 0.00 0.00 52.55 52.98 1jrq s ASP 371 Cb 0.24 -2.12 0.21 0.00 -1.46 0.00 0.00 42.92 39.78 1jrq s ASP 371 CO 0.09 0.21 1.42 1.55 0.52 0.00 0.00 175.17 178.97 1jrq h PRO 372 N 6.18 0.00 -6.66 4.34 0.13 -1.93 -2.31 132.00 131.75 1jrq h PRO 372 Ca -0.45 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.19 1jrq h PRO 372 Cb 1.18 0.00 0.23 0.00 0.13 0.00 0.00 31.00 32.53 1jrq h PRO 372 CO 0.71 0.06 -0.99 -0.25 -0.23 0.00 0.00 178.00 177.30 1jrq n ASP 373 N -3.00 -2.45 -0.22 1.44 8.00 -1.26 -4.08 116.55 114.98 1jrq n ASP 373 Ca 0.02 0.08 -0.00 0.00 0.71 0.00 0.00 54.79 55.60 1jrq n ASP 373 Cb 0.57 -1.03 0.07 0.00 -0.02 0.00 0.00 41.12 40.71 1jrq n ASP 373 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1jrq h ILE 374 N -1.78 0.36 -0.15 0.53 6.09 -1.97 -0.55 117.51 120.04 1jrq h ILE 374 Ca -0.49 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1jrq h ILE 374 Cb 1.33 0.35 0.00 0.00 0.47 0.00 0.00 36.82 38.97 1jrq h ILE 374 CO 0.35 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.04 1jrq n GLY 375 N -1.44 -0.03 0.00 8.18 0.00 -1.26 -4.45 105.19 106.19 1jrq n GLY 375 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.05 0.00 -0.41 1.61 7.02 -0.62 -4.80 117.44 120.29 1jrq n TRP 376 Ca 0.13 0.00 0.37 0.00 -1.02 0.00 0.00 57.50 56.98 1jrq n TRP 376 Cb 0.24 0.00 0.71 0.00 -2.42 0.00 0.00 31.31 29.83 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 0.21 -0.02 -5.99 -0.00 -0.54 0.63 116.97 111.26 1jrq h TYR 377 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1jrq h TYR 377 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 36.73 37.21 1jrq h TYR 377 CO 0.00 -0.02 -0.40 1.97 -0.00 0.00 0.00 178.16 179.71 1jrq n PHE 378 N -4.30 0.00 -1.96 0.10 -1.74 -1.26 -4.95 117.46 103.35 1jrq n PHE 378 Ca 0.31 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.77 1jrq n PHE 378 Cb 1.36 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 42.33 1jrq n PHE 378 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1jrq s LYS 379 N -2.35 3.41 -0.28 3.97 2.20 0.21 -4.67 119.74 122.23 1jrq s LYS 379 Ca 0.19 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.39 1jrq s LYS 379 Cb 0.18 -4.19 0.17 0.00 -1.51 0.00 0.00 37.83 32.47 1jrq s LYS 379 CO 0.52 -1.77 0.49 0.00 -0.36 0.00 0.00 175.35 174.23 1jrq s ALA 380 N 6.71 -1.73 -0.16 3.13 0.00 -1.26 -1.44 121.76 127.01 1jrq s ALA 380 Ca 0.81 1.10 -0.19 0.00 0.00 0.00 0.00 51.96 53.68 1jrq s ALA 380 Cb -0.25 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 1jrq s ALA 380 CO 0.33 -1.49 0.54 0.71 0.00 0.00 0.00 175.76 175.86 1jrq s TYR 381 N 2.70 3.43 -0.97 0.00 1.51 -0.68 -4.86 117.35 118.47 1jrq s TYR 381 Ca 0.14 0.87 -0.04 0.00 -1.01 0.00 0.00 57.07 57.04 1jrq s TYR 381 Cb -0.14 -2.67 0.25 0.00 -0.11 0.00 0.00 41.96 39.30 1jrq s TYR 381 CO -0.22 -0.02 0.97 1.28 -1.11 0.00 0.00 175.55 176.45 1jrq n LEU 382 N 4.41 4.83 -0.30 -1.29 4.77 -1.26 -0.38 117.00 127.77 1jrq n LEU 382 Ca -0.05 -5.14 -0.12 0.00 -0.03 0.00 0.00 56.01 50.68 1jrq n LEU 382 Cb 0.51 -1.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.30 1jrq n LEU 382 CO 0.43 1.55 0.50 0.44 -1.33 0.00 0.00 177.39 178.97 1jrq h ASP 383 N 5.99 -2.00 -0.01 -1.43 3.32 -1.93 0.21 116.42 120.58 1jrq h ASP 383 Ca 0.18 0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 1jrq h ASP 383 Cb 0.79 0.87 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1jrq h ASP 383 CO 0.96 -0.30 -0.07 0.77 -1.72 0.00 0.00 179.24 178.88 1jrq h SER 384 N -0.16 0.07 0.18 6.45 4.64 -1.82 -2.47 113.55 120.44 1jrq h SER 384 Ca 0.14 -0.73 0.01 0.00 -0.47 0.00 0.00 61.79 60.74 1jrq h SER 384 Cb 0.49 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 1jrq h SER 384 CO -0.80 0.79 -0.33 1.23 -0.87 0.00 0.00 176.83 176.85 1jrq h GLY 385 N -0.64 -0.66 1.07 -0.77 0.00 -1.81 -0.75 103.07 99.52 1jrq h GLY 385 Ca -0.01 0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.68 1jrq h GLY 385 CO 0.01 -0.26 -1.01 -0.55 0.00 0.00 0.00 176.54 174.74 1jrq h ASP 386 N -0.59 0.00 0.00 0.19 3.32 -0.76 -3.42 116.42 115.17 1jrq h ASP 386 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jrq h ASP 386 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1jrq h ASP 386 CO -0.16 0.11 -0.99 -1.22 -1.72 0.00 0.00 179.24 175.26 1jrq n TYR 387 N -2.75 0.00 -1.53 4.55 4.02 -0.95 -0.75 117.16 119.75 1jrq n TYR 387 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1jrq n TYR 387 Cb 0.60 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 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 2.15 -0.88 0.26 2.72 0.00 -0.29 -4.82 105.19 104.34 1jrq n GLY 388 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.04 0.47 -0.39 1.61 2.86 -1.49 -1.89 114.93 116.14 1jrq h MET 389 Ca 0.00 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1jrq h MET 389 Cb 0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1jrq h MET 389 CO 0.00 0.54 0.07 0.78 1.06 0.00 0.00 176.91 179.37 1jrq h GLY 390 N 0.84 0.69 1.37 8.32 0.00 -0.94 -1.93 103.07 111.43 1jrq h GLY 390 Ca 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1jrq h GLY 390 CO 0.02 0.42 0.29 -0.84 0.00 0.00 0.00 176.54 176.42 1jrq h THR 391 N 0.50 1.19 -0.30 4.70 2.02 -1.04 -1.91 112.91 118.07 1jrq h THR 391 Ca 0.12 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1jrq h THR 391 Cb 0.35 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1jrq h THR 391 CO 0.01 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.30 1jrq n LEU 392 N -4.36 3.46 -4.72 2.58 4.77 -0.73 -4.96 117.00 113.03 1jrq n LEU 392 Ca 0.05 -1.75 -0.41 0.00 -0.03 0.00 0.00 56.01 53.87 1jrq n LEU 392 Cb 0.12 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.63 1jrq n LEU 392 CO 0.38 0.45 0.96 0.41 -1.33 0.00 0.00 177.39 178.25 1jrq n THR 393 N 0.32 2.43 -3.58 -5.08 -1.04 -0.72 -2.30 114.28 104.30 1jrq n THR 393 Ca 0.14 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.26 1jrq n THR 393 Cb 0.74 -1.68 -0.11 0.00 -1.82 0.00 0.00 70.33 67.46 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 -0.42 5.82 0.13 8.00 0.01 0.49 -4.84 113.70 122.89 1jrq s SER 394 Ca 0.59 -0.58 -0.35 0.00 1.31 0.00 0.00 55.95 56.92 1jrq s SER 394 Cb -0.50 -2.07 -0.16 0.00 0.21 0.00 0.00 66.02 63.49 1jrq s SER 394 CO 0.59 -0.26 1.29 -2.65 0.41 0.00 0.00 173.24 172.63 1jrq n PRO 395 N 5.05 1.25 -1.92 12.44 -0.02 -1.26 -4.53 135.00 146.00 1jrq n PRO 395 Ca -0.13 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 1jrq n PRO 395 Cb 0.49 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 0.24 2.48 -0.54 4.25 -1.09 0.47 -4.94 121.20 122.08 1jrq s ILE 396 Ca 0.79 0.38 -0.23 0.00 -2.23 0.00 0.00 60.65 59.36 1jrq s ILE 396 Cb -0.89 -3.24 0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1jrq s ILE 396 CO 0.48 0.05 0.89 0.00 -1.23 0.00 0.00 174.94 175.13 1jrq s ALA 397 N 0.49 3.20 0.12 9.38 0.00 -1.26 -4.91 121.76 128.78 1jrq s ALA 397 Ca 0.65 -1.30 -0.34 0.00 0.00 0.00 0.00 51.96 50.96 1jrq s ALA 397 Cb -0.44 -3.67 -0.17 0.00 0.00 0.00 0.00 23.12 18.83 1jrq s ALA 397 CO 0.39 -2.32 1.05 -2.13 0.00 0.00 0.00 175.76 172.76 1jrq n ARG 398 N 7.25 0.67 0.00 0.00 0.63 -1.26 -1.15 116.66 122.81 1jrq n ARG 398 Ca 0.01 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.18 1jrq n ARG 398 Cb 0.47 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 1.92 2.37 0.72 5.14 0.00 -0.89 -4.71 105.19 109.74 1jrq n GLY 399 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.90 0.19 0.22 1.61 5.02 -0.72 -4.45 118.16 118.12 1jrq n LYS 400 Ca 0.00 0.08 0.14 0.00 -2.02 0.00 0.00 58.31 56.51 1jrq n LYS 400 Cb 0.00 -0.82 0.44 0.00 -0.02 0.00 0.00 35.03 34.63 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 -0.34 0.00 -5.01 4.39 3.32 -1.42 -3.44 116.42 113.93 1jrq h ASP 401 Ca -0.09 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 1jrq h ASP 401 Cb 0.67 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.02 1jrq h ASP 401 CO -0.06 0.00 -0.44 0.00 -1.72 0.00 0.00 179.24 177.03 1jrq s ALA 402 N -3.39 -0.38 0.84 3.45 0.00 -1.26 -4.96 121.76 116.06 1jrq s ALA 402 Ca 0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 1jrq s ALA 402 Cb 0.08 0.16 0.10 0.00 0.00 0.00 0.00 23.12 23.46 1jrq s ALA 402 CO 0.58 -0.26 1.18 -1.25 0.00 0.00 0.00 175.76 176.01 1jrq s PRO 403 N -1.76 1.44 0.22 0.00 0.04 -1.26 -2.10 135.00 131.57 1jrq s PRO 403 Ca -0.12 1.68 0.15 0.00 0.04 0.00 0.00 61.00 62.75 1jrq s PRO 403 Cb -0.05 -1.76 0.82 0.00 0.04 0.00 0.00 34.50 33.55 1jrq s PRO 403 CO 0.00 -2.35 1.47 -1.13 0.04 0.00 0.00 177.00 175.04 1jrq n SER 404 N -3.62 0.40 -1.67 6.66 3.41 -1.26 -1.73 113.62 115.81 1jrq n SER 404 Ca 0.13 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.50 1jrq n SER 404 Cb 0.51 -0.73 0.37 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.03 5.15 -4.91 4.04 6.94 -1.24 -4.86 115.26 118.35 1jrq n ASN 405 Ca -0.01 -2.71 -0.28 0.00 -0.02 0.00 0.00 54.58 51.56 1jrq n ASN 405 Cb 0.04 -0.62 0.02 0.00 -2.36 0.00 0.00 39.78 36.86 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 -2.34 3.25 -0.17 -2.53 0.00 -0.70 -4.67 121.76 114.59 1jrq s ALA 406 Ca 0.52 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1jrq s ALA 406 Cb 0.37 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.78 1jrq s ALA 406 CO 0.19 -0.74 -0.10 0.08 0.00 0.00 0.00 175.76 175.19 1jrq s VAL 407 N -3.01 3.15 -0.24 0.00 1.01 0.50 -4.44 120.40 117.38 1jrq s VAL 407 Ca 0.53 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1jrq s VAL 407 Cb -0.11 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1jrq s VAL 407 CO 0.47 0.48 0.11 -0.76 0.00 0.00 0.00 175.10 175.40 1jrq s LEU 408 N 0.86 3.73 -0.01 3.92 1.43 -1.26 -0.91 118.68 126.44 1jrq s LEU 408 Ca -0.03 -0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1jrq s LEU 408 Cb -0.15 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1jrq s LEU 408 CO 0.00 0.02 0.27 -0.76 0.23 0.00 0.00 176.35 176.11 1jrq s LEU 409 N 1.30 4.38 0.10 1.79 1.43 0.44 -4.76 118.68 123.36 1jrq s LEU 409 Ca 0.06 0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 53.68 1jrq s LEU 409 Cb -0.15 -2.59 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 1jrq s LEU 409 CO 0.05 0.28 0.35 0.20 0.23 0.00 0.00 176.35 177.46 1jrq s ASN 410 N -1.57 6.51 0.03 2.29 0.01 -1.26 -0.16 114.94 120.79 1jrq s ASN 410 Ca 0.26 0.61 0.02 0.00 -0.71 0.00 0.00 52.86 53.03 1jrq s ASN 410 Cb -0.13 -2.10 -0.02 0.00 0.41 0.00 0.00 41.25 39.41 1jrq s ASN 410 CO 0.14 0.12 -0.06 -1.61 -1.51 0.00 0.00 177.10 174.18 1jrq s GLU 411 N -2.35 0.44 -0.09 -0.60 0.41 -0.70 -4.88 118.70 110.93 1jrq s GLU 411 Ca 0.37 -0.59 0.02 0.00 -0.41 0.00 0.00 54.97 54.36 1jrq s GLU 411 Cb -0.13 -0.22 -0.02 0.00 -1.78 0.00 0.00 34.13 31.99 1jrq s GLU 411 CO 0.22 0.04 -0.14 0.99 -0.49 0.00 0.00 175.26 175.88 1jrq s THR 412 N -1.10 3.01 0.24 3.63 2.01 -1.26 -0.36 115.64 121.82 1jrq s THR 412 Ca -0.09 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1jrq s THR 412 Cb -0.08 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1jrq s THR 412 CO -0.00 0.56 0.15 0.27 -0.69 0.00 0.00 174.62 174.91 1jrq s ILE 413 N -0.13 0.11 -0.08 1.82 -4.36 -0.76 -4.87 121.20 112.93 1jrq s ILE 413 Ca -0.01 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.26 1jrq s ILE 413 Cb -0.14 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 1jrq s ILE 413 CO 0.03 0.00 0.27 0.00 0.24 0.00 0.00 174.94 175.49 1jrq s ALA 414 N -3.93 3.75 0.94 2.27 0.00 -1.26 -0.29 121.76 123.25 1jrq s ALA 414 Ca 0.39 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.77 1jrq s ALA 414 Cb 0.06 -2.22 0.21 0.00 0.00 0.00 0.00 23.12 21.17 1jrq s ALA 414 CO 0.15 0.46 1.29 0.16 0.00 0.00 0.00 175.76 177.82 1jrq s ASP 415 N -0.74 3.13 0.05 0.00 1.47 0.37 -4.86 116.67 116.08 1jrq s ASP 415 Ca 0.19 0.09 0.09 0.00 1.18 0.00 0.00 52.55 54.09 1jrq s ASP 415 Cb -0.14 -0.12 0.41 0.00 -0.34 0.00 0.00 42.92 42.73 1jrq s ASP 415 CO 0.08 -2.71 1.28 0.00 0.68 0.00 0.00 175.17 174.50 1jrq n TYR 416 N -3.68 0.12 0.05 2.11 4.11 -1.26 -1.24 117.16 117.37 1jrq n TYR 416 Ca 0.16 0.06 0.09 0.00 -0.00 0.00 0.00 57.90 58.21 1jrq n TYR 416 Cb 0.59 -0.59 0.19 0.00 -0.00 0.00 0.00 39.34 39.53 1jrq n TYR 416 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1jrq n THR 417 N -1.62 0.68 -1.00 -3.48 -2.24 -1.26 -0.27 114.28 105.09 1jrq n THR 417 Ca 0.01 -0.84 -0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1jrq n THR 417 Cb 0.08 0.78 -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 1.07 0.44 3.81 3.38 0.00 -0.37 -4.91 105.19 108.61 1jrq n GLY 418 Ca 0.16 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.00 5.44 0.40 1.61 1.01 -1.26 -4.59 120.40 121.02 1jrq s VAL 419 Ca 0.00 0.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 1jrq s VAL 419 Cb 0.00 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 1jrq s VAL 419 CO 0.00 0.54 1.48 -2.84 0.00 0.00 0.00 175.10 174.28 1jrq s PRO 420 N -0.42 3.96 -0.04 2.72 0.02 -1.26 -0.48 135.00 139.50 1jrq s PRO 420 Ca 0.13 2.55 -0.00 0.00 0.02 0.00 0.00 61.00 63.70 1jrq s PRO 420 Cb -0.12 -2.87 0.03 0.00 0.02 0.00 0.00 34.50 31.56 1jrq s PRO 420 CO 0.02 -0.64 -0.01 0.00 -0.33 0.00 0.00 177.00 176.04 1jrq s MET 421 N -2.22 0.48 -0.23 5.54 0.23 0.61 -4.82 119.30 118.88 1jrq s MET 421 Ca 0.55 0.06 -0.13 0.00 -1.03 0.00 0.00 55.69 55.14 1jrq s MET 421 Cb -0.46 -0.69 -0.04 0.00 -1.53 0.00 0.00 34.83 32.11 1jrq s MET 421 CO 0.62 -0.18 0.29 -2.00 -2.03 0.00 0.00 175.02 171.72 1jrq s GLU 422 N 1.31 4.10 -0.32 3.16 2.12 -1.26 -1.82 118.70 125.98 1jrq s GLU 422 Ca -0.06 -0.04 -0.15 0.00 0.36 0.00 0.00 54.97 55.08 1jrq s GLU 422 Cb -0.13 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.68 1jrq s GLU 422 CO -0.02 -0.04 0.37 0.42 -0.54 0.00 0.00 175.26 175.45 1jrq s ILE 423 N 1.34 5.16 0.30 -3.70 1.01 0.52 -4.95 121.20 120.89 1jrq s ILE 423 Ca 0.13 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.71 1jrq s ILE 423 Cb -0.14 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 1jrq s ILE 423 CO 0.07 -0.02 1.12 -2.16 0.00 0.00 0.00 174.94 173.94 1jrq s PRO 424 N 2.05 4.54 -1.55 2.79 0.04 -1.26 -1.72 135.00 139.90 1jrq s PRO 424 Ca 0.13 1.81 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 1jrq s PRO 424 Cb -0.16 -3.09 0.05 0.00 0.04 0.00 0.00 34.50 31.34 1jrq s PRO 424 CO 0.11 0.11 0.40 0.54 0.04 0.00 0.00 177.00 178.21 1jrq n ARG 425 N 0.97 -2.47 0.11 4.56 1.74 -1.23 -4.34 116.66 116.02 1jrq n ARG 425 Ca -0.00 0.30 -0.01 0.00 -0.77 0.00 0.00 57.85 57.37 1jrq n ARG 425 Cb 0.45 -4.42 0.26 0.00 -1.02 0.00 0.00 32.46 27.73 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 0.84 1.18 -3.73 7.54 0.00 -0.60 0.14 119.26 124.63 1jrq h ALA 426 Ca -0.63 -0.39 -0.24 0.00 0.00 0.00 0.00 54.91 53.65 1jrq h ALA 426 Cb 1.38 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.81 1jrq h ALA 426 CO 0.70 0.56 -0.72 0.42 0.00 0.00 0.00 179.25 180.21 1jrq s ILE 427 N -4.17 0.04 -0.12 0.00 1.01 -1.05 -4.45 121.20 112.45 1jrq s ILE 427 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1jrq s ILE 427 Cb 0.14 -0.05 -0.04 0.00 0.01 0.00 0.00 42.46 42.52 1jrq s ILE 427 CO 0.76 0.02 0.03 0.00 0.00 0.00 0.00 174.94 175.75 1jrq s ALA 428 N 0.05 3.36 -0.10 9.38 0.00 0.64 -0.42 121.76 134.66 1jrq s ALA 428 Ca -0.00 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1jrq s ALA 428 Cb -0.01 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.47 1jrq s ALA 428 CO -0.00 0.46 -0.18 0.08 0.00 0.00 0.00 175.76 176.12 1jrq s VAL 429 N -0.47 1.63 -0.12 0.00 1.01 -0.08 -0.16 120.40 122.20 1jrq s VAL 429 Ca 0.09 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 1jrq s VAL 429 Cb -0.12 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.87 1jrq s VAL 429 CO 0.02 0.47 0.67 0.72 0.00 0.00 0.00 175.10 176.98 1jrq s PHE 430 N 0.75 -0.67 0.20 5.22 -0.71 -0.30 -0.37 117.98 122.11 1jrq s PHE 430 Ca -0.11 1.33 -0.04 0.00 -1.04 0.00 0.00 56.93 57.06 1jrq s PHE 430 Cb -0.16 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 1jrq s PHE 430 CO 0.02 -0.52 0.44 -2.00 -1.34 0.00 0.00 175.22 171.81 1jrq s GLU 431 N -0.70 3.61 -0.01 1.99 2.12 -1.26 0.09 118.70 124.54 1jrq s GLU 431 Ca -0.08 -0.11 -0.12 0.00 0.36 0.00 0.00 54.97 55.03 1jrq s GLU 431 Cb -0.02 -2.78 0.01 0.00 0.26 0.00 0.00 34.13 31.61 1jrq s GLU 431 CO 0.07 0.37 0.24 -0.98 -0.54 0.00 0.00 175.26 174.42 1jrq s ARG 432 N -3.09 0.58 0.17 4.30 1.70 -0.07 -4.95 118.95 117.60 1jrq s ARG 432 Ca 0.42 -0.25 -0.30 0.00 -0.47 0.00 0.00 55.73 55.12 1jrq s ARG 432 Cb -0.11 0.25 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 1jrq s ARG 432 CO 0.27 -0.15 1.14 -0.47 -1.08 0.00 0.00 175.30 175.01 1jrq s TYR 433 N -1.29 3.53 -0.37 5.89 5.04 -1.26 -1.86 117.35 127.02 1jrq s TYR 433 Ca -0.13 1.53 0.13 0.00 -2.44 0.00 0.00 57.07 56.15 1jrq s TYR 433 Cb -0.06 -3.34 0.43 0.00 0.35 0.00 0.00 41.96 39.35 1jrq s TYR 433 CO 0.03 -0.84 0.97 0.00 -1.34 0.00 0.00 175.55 174.37 1jrq n ALA 434 N 2.49 3.82 -0.40 3.97 0.00 0.06 -4.93 120.51 125.53 1jrq n ALA 434 Ca 0.04 -3.59 0.03 0.00 0.00 0.00 0.00 53.44 49.91 1jrq n ALA 434 Cb 0.46 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.16 -1.89 3.73 0.00 0.00 -1.26 -4.58 105.19 101.03 1jrq n GLY 435 Ca 0.21 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.58 4.49 0.18 1.61 0.04 -1.26 0.10 135.00 139.58 1jrq s PRO 436 Ca 0.00 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.76 1jrq s PRO 436 Cb 0.00 -3.27 0.09 0.00 0.04 0.00 0.00 34.50 31.35 1jrq s PRO 436 CO 0.00 -0.11 1.74 1.49 0.04 0.00 0.00 177.00 180.16 1jrq h GLU 437 N 5.66 0.93 -2.63 4.56 4.57 0.14 -3.41 114.58 124.40 1jrq h GLU 437 Ca -0.44 -0.16 0.07 0.00 -1.18 0.00 0.00 59.36 57.65 1jrq h GLU 437 Cb 1.21 -0.15 -0.12 0.00 -0.16 0.00 0.00 28.75 29.53 1jrq h GLU 437 CO 0.76 0.78 0.36 1.52 -1.18 0.00 0.00 179.01 181.25 1jrq s TYR 438 N -5.57 -0.36 -0.16 0.92 -0.85 -1.20 -4.94 117.35 105.19 1jrq s TYR 438 Ca -0.13 0.14 -0.29 0.00 -0.52 0.00 0.00 57.07 56.27 1jrq s TYR 438 Cb 0.13 0.58 0.10 0.00 0.38 0.00 0.00 41.96 43.15 1jrq s TYR 438 CO 0.80 -0.78 0.84 0.21 -1.52 0.00 0.00 175.55 175.11 1jrq s LYS 439 N -3.46 0.79 -0.23 -3.49 2.20 -1.26 -2.40 119.74 111.88 1jrq s LYS 439 Ca 0.05 0.39 -0.04 0.00 -0.36 0.00 0.00 55.97 56.02 1jrq s LYS 439 Cb -0.02 0.38 0.12 0.00 -1.51 0.00 0.00 37.83 36.80 1jrq s LYS 439 CO -0.07 -0.20 0.39 -1.58 -0.36 0.00 0.00 175.35 173.53 1jrq s HIS 440 N -0.69 -0.83 -0.74 4.03 2.46 -0.14 -5.02 115.29 114.35 1jrq s HIS 440 Ca -0.04 1.04 -0.08 0.00 0.47 0.00 0.00 55.06 56.46 1jrq s HIS 440 Cb -0.02 0.11 0.19 0.00 -0.13 0.00 0.00 32.58 32.73 1jrq s HIS 440 CO 0.03 -0.65 0.61 -1.14 -2.47 0.00 0.00 174.74 171.12 1jrq s GLN 441 N 2.57 3.08 0.14 2.88 2.00 -1.26 -2.37 119.66 126.70 1jrq s GLN 441 Ca 0.09 -2.57 -0.31 0.00 -2.00 0.00 0.00 55.36 50.58 1jrq s GLN 441 Cb -0.14 -4.05 -0.08 0.00 0.80 0.00 0.00 33.01 29.53 1jrq s GLN 441 CO -0.15 -1.23 1.34 -2.00 -0.50 0.00 0.00 175.29 172.75 1jrq s GLU 442 N -0.08 4.36 0.06 1.67 2.56 -1.26 -4.90 118.70 121.11 1jrq s GLU 442 Ca 0.18 2.04 -0.36 0.00 0.00 0.00 0.00 54.97 56.83 1jrq s GLU 442 Cb -0.15 -3.23 -0.16 0.00 2.00 0.00 0.00 34.13 32.59 1jrq s GLU 442 CO -0.06 -0.35 1.46 -0.12 -0.56 0.00 0.00 175.26 175.63 1jrq n MET 443 N 3.41 1.43 -1.00 4.30 0.00 -1.26 -1.04 117.12 122.96 1jrq n MET 443 Ca 0.09 0.52 0.00 0.00 -0.00 0.00 0.00 57.70 58.31 1jrq n MET 443 Cb 0.43 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.45 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 2.99 0.28 3.49 -5.12 0.00 -1.26 -5.01 105.19 100.54 1jrq n GLY 444 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.90 1.69 0.29 1.61 -1.52 -0.21 -5.10 119.66 115.51 1jrq s GLN 445 Ca 0.00 -1.88 -0.30 0.00 -1.95 0.00 0.00 55.36 51.23 1jrq s GLN 445 Cb 0.00 -1.32 -0.10 0.00 -0.22 0.00 0.00 33.01 31.36 1jrq s GLN 445 CO 0.00 0.02 1.45 -2.14 -0.25 0.00 0.00 175.29 174.38 1jrq s PRO 446 N -3.72 4.23 0.65 2.91 0.02 -1.26 -4.63 135.00 133.21 1jrq s PRO 446 Ca 0.32 2.38 -0.16 0.00 0.02 0.00 0.00 61.00 63.56 1jrq s PRO 446 Cb 0.05 -3.07 -0.00 0.00 0.02 0.00 0.00 34.50 31.50 1jrq s PRO 446 CO 0.14 -0.44 1.14 1.21 -0.33 0.00 0.00 177.00 178.72 1jrq s ASN 447 N 0.18 5.01 -0.13 2.53 3.84 -1.26 -4.67 114.94 120.45 1jrq s ASN 447 Ca 0.57 2.12 -0.00 0.00 0.21 0.00 0.00 52.86 55.76 1jrq s ASN 447 Cb -0.43 -2.57 0.03 0.00 -0.55 0.00 0.00 41.25 37.73 1jrq s ASN 447 CO 0.48 -1.70 -0.07 -0.69 -2.79 0.00 0.00 177.10 172.33 1jrq s VAL 448 N -2.15 1.08 -0.08 -5.21 1.01 -1.00 -5.04 120.40 109.01 1jrq s VAL 448 Ca 0.70 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 1jrq s VAL 448 Cb -0.23 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.06 1jrq s VAL 448 CO 0.40 0.32 0.42 -0.44 0.00 0.00 0.00 175.10 175.79 1jrq s SER 449 N 1.68 -0.37 -0.01 3.32 0.01 -1.26 -0.97 113.70 116.10 1jrq s SER 449 Ca 0.04 0.52 -0.02 0.00 1.31 0.00 0.00 55.95 57.80 1jrq s SER 449 Cb -0.13 0.60 -0.00 0.00 0.21 0.00 0.00 66.02 66.69 1jrq s SER 449 CO -0.08 -0.35 0.03 0.42 0.41 0.00 0.00 173.24 173.68 1jrq s THR 450 N -0.64 0.03 0.26 1.44 -4.23 -1.01 -5.02 115.64 106.46 1jrq s THR 450 Ca -0.07 -0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.01 1jrq s THR 450 Cb -0.04 -0.15 -0.08 0.00 1.34 0.00 0.00 72.50 73.58 1jrq s THR 450 CO 0.04 -0.15 0.68 -1.83 -0.54 0.00 0.00 174.62 172.82 1jrq s GLU 451 N -0.45 4.05 -0.00 3.99 -1.05 -1.26 0.16 118.70 124.13 1jrq s GLU 451 Ca -0.05 0.65 -0.17 0.00 -0.15 0.00 0.00 54.97 55.25 1jrq s GLU 451 Cb -0.03 -2.66 -0.06 0.00 -0.44 0.00 0.00 34.13 30.94 1jrq s GLU 451 CO -0.00 0.29 0.48 0.50 0.95 0.00 0.00 175.26 177.48 1jrq s ARG 452 N -2.52 4.11 -0.03 -4.83 3.52 0.11 -4.23 118.95 115.09 1jrq s ARG 452 Ca 0.48 0.54 0.06 0.00 -0.13 0.00 0.00 55.73 56.67 1jrq s ARG 452 Cb -0.13 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1jrq s ARG 452 CO 0.19 0.55 -0.20 1.03 -0.81 0.00 0.00 175.30 176.06 1jrq s ARG 453 N -0.69 1.76 0.04 5.12 1.81 -1.26 -0.76 118.95 124.96 1jrq s ARG 453 Ca 0.26 -0.72 0.06 0.00 -1.72 0.00 0.00 55.73 53.61 1jrq s ARG 453 Cb -0.17 -1.64 -0.02 0.00 -0.45 0.00 0.00 34.95 32.67 1jrq s ARG 453 CO 0.15 0.39 -0.16 -1.21 -0.68 0.00 0.00 175.30 173.78 1jrq s GLU 454 N -0.33 1.12 -0.22 3.54 2.02 -0.78 -3.04 118.70 121.01 1jrq s GLU 454 Ca 0.04 -0.80 -0.05 0.00 0.02 0.00 0.00 54.97 54.18 1jrq s GLU 454 Cb -0.09 -1.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.96 1jrq s GLU 454 CO 0.00 0.29 0.01 -1.17 0.02 0.00 0.00 175.26 174.42 1jrq s LEU 455 N -1.07 3.22 -0.06 1.80 2.96 0.07 -0.89 118.68 124.72 1jrq s LEU 455 Ca 0.04 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1jrq s LEU 455 Cb -0.08 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1jrq s LEU 455 CO 0.01 0.02 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.28 1jrq s VAL 456 N 1.27 3.52 -0.32 1.68 1.01 0.11 -0.47 120.40 127.20 1jrq s VAL 456 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1jrq s VAL 456 Cb -0.15 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.87 1jrq s VAL 456 CO 0.01 0.59 0.04 -0.69 0.00 0.00 0.00 175.10 175.05 1jrq s VAL 457 N -0.80 3.03 -0.10 2.92 1.01 -0.12 -1.15 120.40 125.19 1jrq s VAL 457 Ca 0.12 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.57 1jrq s VAL 457 Cb -0.11 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1jrq s VAL 457 CO 0.01 -0.23 -0.10 -0.60 0.00 0.00 0.00 175.10 174.18 1jrq s ARG 458 N 1.22 3.10 -0.01 2.72 3.52 0.77 -0.81 118.95 129.46 1jrq s ARG 458 Ca -0.02 -0.63 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1jrq s ARG 458 Cb -0.20 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1jrq s ARG 458 CO -0.02 0.41 -0.02 -0.46 -0.81 0.00 0.00 175.30 174.40 1jrq s TRP 459 N -0.14 0.25 -0.06 5.12 -0.00 -0.62 -0.26 118.94 123.22 1jrq s TRP 459 Ca 0.00 -0.04 0.05 0.00 -0.00 0.00 0.00 56.10 56.11 1jrq s TRP 459 Cb -0.13 -0.19 -0.00 0.00 -0.00 0.00 0.00 33.47 33.14 1jrq s TRP 459 CO 0.03 -0.02 -0.20 0.42 -0.00 0.00 0.00 176.95 177.18 1jrq s ILE 460 N 0.08 1.72 -0.01 5.86 1.01 -1.26 -0.02 121.20 128.58 1jrq s ILE 460 Ca -0.00 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1jrq s ILE 460 Cb -0.03 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1jrq s ILE 460 CO -0.00 0.49 -0.15 -0.55 0.00 0.00 0.00 174.94 174.72 1jrq s SER 461 N 0.11 1.78 -0.09 3.58 0.15 0.07 -0.38 113.70 118.93 1jrq s SER 461 Ca -0.08 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.32 1jrq s SER 461 Cb -0.14 -0.21 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 1jrq s SER 461 CO 0.04 0.18 -0.17 -0.89 1.20 0.00 0.00 173.24 173.61 1jrq s THR 462 N -0.34 1.54 -0.28 6.45 2.01 -0.97 -0.32 115.64 123.73 1jrq s THR 462 Ca 0.05 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1jrq s THR 462 Cb -0.06 -1.37 0.08 0.00 0.01 0.00 0.00 72.50 71.16 1jrq s THR 462 CO -0.00 0.44 0.03 -0.69 -0.69 0.00 0.00 174.62 173.71 1jrq s VAL 463 N 0.62 1.33 0.00 3.82 1.01 -1.26 -4.82 120.40 121.09 1jrq s VAL 463 Ca -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1jrq s VAL 463 Cb -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1jrq s VAL 463 CO 0.04 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.35 1jrq n GLY 464 N 4.70 3.24 2.31 4.51 0.00 -1.26 -4.83 105.19 113.86 1jrq n GLY 464 Ca -0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 9.42 6.28 -3.58 1.61 2.04 -1.26 -5.00 115.26 124.76 1jrq n ASN 465 Ca 0.00 -3.07 -0.02 0.00 -0.44 0.00 0.00 54.58 51.05 1jrq n ASN 465 Cb 0.00 -1.23 -0.06 0.00 -2.53 0.00 0.00 39.78 35.96 1jrq n ASN 465 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 1jrq s ASP 467 N 0.58 -0.58 -0.08 0.53 1.11 -0.52 -0.19 116.67 117.52 1jrq s ASP 467 Ca 0.55 0.88 0.03 0.00 0.18 0.00 0.00 52.55 54.20 1jrq s ASP 467 Cb 0.35 1.39 -0.02 0.00 1.07 0.00 0.00 42.92 45.71 1jrq s ASP 467 CO -0.15 -0.13 -0.18 -0.31 1.18 0.00 0.00 175.17 175.57 1jrq s TYR 468 N 1.72 2.64 -0.11 4.23 2.02 0.57 -1.58 117.35 126.84 1jrq s TYR 468 Ca -0.07 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.08 1jrq s TYR 468 Cb -0.05 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 1jrq s TYR 468 CO -0.16 -0.11 -0.14 0.42 -1.57 0.00 0.00 175.55 173.98 1jrq s ILE 469 N -0.12 2.95 -0.08 2.71 1.01 -0.03 -0.75 121.20 126.89 1jrq s ILE 469 Ca -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1jrq s ILE 469 Cb -0.14 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1jrq s ILE 469 CO 0.04 0.54 -0.19 -0.36 0.00 0.00 0.00 174.94 174.97 1jrq s PHE 470 N 0.13 2.06 -0.14 3.97 0.40 0.97 0.72 117.98 126.10 1jrq s PHE 470 Ca -0.07 -0.80 0.02 0.00 -0.60 0.00 0.00 56.93 55.47 1jrq s PHE 470 Cb -0.15 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1jrq s PHE 470 CO 0.05 -0.34 -0.19 -0.51 0.70 0.00 0.00 175.22 174.93 1jrq s ASP 471 N 0.45 3.40 -0.35 1.36 1.01 0.01 -1.59 116.67 120.96 1jrq s ASP 471 Ca -0.16 -0.52 -0.11 0.00 0.71 0.00 0.00 52.55 52.47 1jrq s ASP 471 Cb -0.17 -1.50 0.01 0.00 1.01 0.00 0.00 42.92 42.27 1jrq s ASP 471 CO 0.06 0.11 0.19 0.26 0.21 0.00 0.00 175.17 176.00 1jrq s TRP 472 N 0.68 3.21 -0.28 4.23 0.52 0.01 -1.18 118.94 126.14 1jrq s TRP 472 Ca -0.09 -0.70 -0.05 0.00 0.02 0.00 0.00 56.10 55.28 1jrq s TRP 472 Cb -0.16 -2.42 0.01 0.00 -1.15 0.00 0.00 33.47 29.76 1jrq s TRP 472 CO 0.02 -0.54 0.03 0.42 0.02 0.00 0.00 176.95 176.91 1jrq s ILE 473 N 1.60 3.63 -0.32 2.03 1.01 0.12 -0.95 121.20 128.33 1jrq s ILE 473 Ca 0.04 -0.78 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1jrq s ILE 473 Cb -0.18 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1jrq s ILE 473 CO 0.07 0.13 0.40 -0.36 0.00 0.00 0.00 174.94 175.18 1jrq s PHE 474 N 1.45 3.22 0.12 3.97 0.40 0.38 -0.04 117.98 127.48 1jrq s PHE 474 Ca 0.02 0.18 -0.15 0.00 -0.60 0.00 0.00 56.93 56.39 1jrq s PHE 474 Cb -0.17 -2.70 -0.07 0.00 0.51 0.00 0.00 43.02 40.60 1jrq s PHE 474 CO 0.00 -0.38 0.53 -1.01 0.70 0.00 0.00 175.22 175.06 1jrq s HIS 475 N 2.13 3.64 0.34 0.36 3.76 0.21 -0.75 115.29 124.98 1jrq s HIS 475 Ca 0.15 1.06 0.06 0.00 -0.15 0.00 0.00 55.06 56.18 1jrq s HIS 475 Cb -0.16 -2.36 0.72 0.00 1.11 0.00 0.00 32.58 31.89 1jrq s HIS 475 CO 0.11 0.47 1.89 0.93 -0.85 0.00 0.00 174.74 177.30 1jrq h GLU 476 N 3.77 0.78 0.00 1.40 5.08 -1.84 -2.26 114.58 121.51 1jrq h GLU 476 Ca -0.49 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1jrq h GLU 476 Cb 1.20 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1jrq h GLU 476 CO 0.65 0.51 0.00 0.27 -1.00 0.00 0.00 179.01 179.45 1jrq n ASN 477 N -4.53 0.00 0.00 1.42 2.04 -1.26 -4.84 115.26 108.09 1jrq n ASN 477 Ca 0.15 -1.03 0.00 0.00 -0.44 0.00 0.00 54.58 53.26 1jrq n ASN 477 Cb 0.35 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 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 2.83 3.80 4.83 0.00 -0.85 -4.77 105.19 111.15 1jrq n GLY 478 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.74 3.97 -0.08 2.61 2.01 -1.26 -4.41 115.64 115.75 1jrq s THR 479 Ca 0.00 1.28 0.02 0.00 0.31 0.00 0.00 61.69 63.30 1jrq s THR 479 Cb 0.00 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1jrq s THR 479 CO 0.00 -0.22 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.96 1jrq s ILE 480 N -1.99 1.20 0.18 1.82 1.01 0.13 -0.62 121.20 122.93 1jrq s ILE 480 Ca 0.64 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.89 1jrq s ILE 480 Cb -0.15 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1jrq s ILE 480 CO 0.19 0.38 -0.09 -0.83 0.00 0.00 0.00 174.94 174.58 1jrq s GLY 481 N 0.88 1.73 -0.18 6.18 0.00 0.95 -0.49 107.32 116.39 1jrq s GLY 481 Ca -0.10 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.11 1jrq s GLY 481 CO 0.01 -1.48 0.07 -0.42 0.00 0.00 0.00 173.10 171.28 1jrq s ILE 482 N -1.69 0.14 0.12 0.90 1.01 -0.92 0.15 121.20 120.91 1jrq s ILE 482 Ca 0.25 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.65 1jrq s ILE 482 Cb -0.09 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1jrq s ILE 482 CO 0.15 -0.25 -0.06 -1.81 0.00 0.00 0.00 174.94 172.97 1jrq s ASP 483 N 2.03 4.58 -0.10 3.58 1.11 -0.32 -1.84 116.67 125.71 1jrq s ASP 483 Ca 0.01 -0.36 -0.00 0.00 0.18 0.00 0.00 52.55 52.38 1jrq s ASP 483 Cb -0.16 -0.93 0.02 0.00 1.07 0.00 0.00 42.92 42.92 1jrq s ASP 483 CO -0.09 0.16 -0.07 0.00 1.18 0.00 0.00 175.17 176.35 1jrq s ALA 484 N -1.35 1.21 0.06 5.23 0.00 -0.73 -0.81 121.76 125.37 1jrq s ALA 484 Ca 0.23 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.79 1jrq s ALA 484 Cb -0.11 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1jrq s ALA 484 CO 0.16 -0.35 -0.06 0.20 0.00 0.00 0.00 175.76 175.71 1jrq s GLY 485 N 1.60 1.82 -0.05 0.00 0.00 0.22 -1.41 107.32 109.49 1jrq s GLY 485 Ca 0.02 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.65 1jrq s GLY 485 CO -0.06 -1.06 -0.17 0.00 0.00 0.00 0.00 173.10 171.81 1jrq s ALA 486 N -1.17 1.52 0.06 3.20 0.00 0.12 -0.85 121.76 124.64 1jrq s ALA 486 Ca 0.21 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1jrq s ALA 486 Cb -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1jrq s ALA 486 CO 0.13 0.24 0.10 -2.37 0.00 0.00 0.00 175.76 173.86 1jrq n THR 487 N 3.34 0.00 0.00 0.00 5.66 -0.61 -0.68 114.28 121.98 1jrq n THR 487 Ca -0.19 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1jrq n THR 487 Cb 0.53 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.50 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 -0.10 0.00 3.48 1.09 0.00 -1.26 -1.44 105.19 106.97 1jrq n GLY 488 Ca -0.00 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.50 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 4.10 0.47 -0.61 -1.09 0.74 -1.18 121.20 123.63 1jrq s ILE 489 Ca 0.00 -0.27 -0.23 0.00 -2.23 0.00 0.00 60.65 57.92 1jrq s ILE 489 Cb 0.00 -2.85 -0.07 0.00 -1.58 0.00 0.00 42.46 37.96 1jrq s ILE 489 CO 0.00 0.44 1.21 -1.61 -1.23 0.00 0.00 174.94 173.75 1jrq s GLU 490 N 0.84 3.68 -0.50 2.79 2.02 -1.26 -4.76 118.70 121.51 1jrq s GLU 490 Ca 0.01 1.89 -0.29 0.00 0.02 0.00 0.00 54.97 56.60 1jrq s GLU 490 Cb -0.14 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.70 1jrq s GLU 490 CO 0.02 -0.65 1.15 0.00 0.02 0.00 0.00 175.26 175.80 1jrq s ALA 491 N -1.47 3.12 0.31 5.21 0.00 -1.26 -4.92 121.76 122.75 1jrq s ALA 491 Ca 0.64 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.13 1jrq s ALA 491 Cb -0.31 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 18.84 1jrq s ALA 491 CO 0.38 -2.36 0.17 0.14 0.00 0.00 0.00 175.76 174.09 1jrq s VAL 492 N 4.58 3.43 -0.10 0.00 -7.23 -1.26 -3.65 120.40 116.18 1jrq s VAL 492 Ca 0.47 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1jrq s VAL 492 Cb -0.07 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.77 1jrq s VAL 492 CO 0.31 -0.24 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.00 1jrq s LYS 493 N -3.86 3.05 0.15 4.82 2.20 0.11 -4.86 119.74 121.35 1jrq s LYS 493 Ca 0.37 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 1jrq s LYS 493 Cb -0.05 -2.59 -0.07 0.00 -1.51 0.00 0.00 37.83 33.61 1jrq s LYS 493 CO 0.24 0.42 1.10 0.20 -0.36 0.00 0.00 175.35 176.95 1jrq s GLY 494 N -0.18 2.80 0.11 5.54 0.00 -1.26 -1.15 107.32 113.18 1jrq s GLY 494 Ca 0.01 0.79 -0.00 0.00 0.00 0.00 0.00 44.72 45.51 1jrq s GLY 494 CO 0.03 1.69 0.02 -1.34 0.00 0.00 0.00 173.10 173.50 1jrq s VAL 495 N 0.01 0.25 0.12 1.40 -7.23 -0.04 -4.88 120.40 110.02 1jrq s VAL 495 Ca 0.51 -1.89 0.07 0.00 -1.81 0.00 0.00 61.98 58.85 1jrq s VAL 495 Cb -0.29 -1.89 -0.21 0.00 0.56 0.00 0.00 36.38 34.55 1jrq s VAL 495 CO 0.33 -0.64 1.27 0.11 -0.31 0.00 0.00 175.10 175.86 1jrq h LYS 496 N 2.93 0.01 -6.91 4.82 1.57 -1.93 -3.39 116.57 113.66 1jrq h LYS 496 Ca -0.35 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.89 1jrq h LYS 496 Cb 1.18 0.01 0.08 0.00 0.08 0.00 0.00 32.23 33.57 1jrq h LYS 496 CO 0.62 1.00 0.65 0.00 -0.57 0.00 0.00 179.45 181.14 1jrq s ALA 497 N -2.71 3.42 -0.21 3.86 0.00 -1.26 -4.75 121.76 120.12 1jrq s ALA 497 Ca 0.01 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.31 1jrq s ALA 497 Cb 0.10 -3.50 -0.16 0.00 0.00 0.00 0.00 23.12 19.56 1jrq s ALA 497 CO 0.82 -0.76 -0.13 1.63 0.00 0.00 0.00 175.76 177.32 1jrq n LYS 498 N 0.52 0.70 -4.38 0.00 5.02 -1.26 -0.74 118.16 118.02 1jrq n LYS 498 Ca 0.01 0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 56.20 1jrq n LYS 498 Cb 0.42 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.43 0.52 -1.86 -0.18 -4.23 -1.26 -4.11 115.64 102.09 1jrq s THR 499 Ca -0.24 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.52 1jrq s THR 499 Cb 0.07 -2.53 0.65 0.00 1.34 0.00 0.00 72.50 72.03 1jrq s THR 499 CO 0.54 0.00 1.87 0.23 -0.54 0.00 0.00 174.62 176.72 1jrq n MET 500 N -0.64 0.69 0.00 3.99 2.81 -1.26 -2.57 117.12 120.14 1jrq n MET 500 Ca -0.01 0.01 0.13 0.00 -1.81 0.00 0.00 57.70 56.03 1jrq n MET 500 Cb 0.65 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 32.09 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 -1.07 0.00 -3.11 2.03 8.25 -1.26 -4.81 115.22 115.24 1jrq n HIS 501 Ca 0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.32 1jrq n HIS 501 Cb 0.11 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.14 6.60 0.24 0.41 1.01 -1.06 -5.01 116.67 116.72 1jrq s ASP 502 Ca 0.33 1.07 -0.10 0.00 0.71 0.00 0.00 52.55 54.56 1jrq s ASP 502 Cb 0.20 -2.29 0.36 0.00 1.01 0.00 0.00 42.92 42.20 1jrq s ASP 502 CO 0.38 -0.25 1.61 -0.33 0.21 0.00 0.00 175.17 176.79 1jrq h GLU 503 N 1.85 0.02 -0.01 8.23 5.08 -1.91 -1.29 114.58 126.56 1jrq h GLU 503 Ca -0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1jrq h GLU 503 Cb 1.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1jrq h GLU 503 CO 0.66 0.01 -0.06 0.25 -1.00 0.00 0.00 179.01 178.87 1jrq n THR 504 N -5.47 0.00 -0.31 1.13 -2.24 -1.26 -4.40 114.28 101.73 1jrq n THR 504 Ca 0.12 -0.11 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1jrq n THR 504 Cb 0.42 0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 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 3.95 -0.20 -0.30 6.98 0.00 -1.51 0.59 119.26 128.78 1jrq h ALA 505 Ca 0.00 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1jrq h ALA 505 Cb 0.32 1.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1jrq h ALA 505 CO 0.00 -0.78 -0.04 -0.22 0.00 0.00 0.00 179.25 178.21 1jrq h LYS 506 N -0.10 0.04 -0.18 0.00 3.64 -1.78 0.24 116.57 118.42 1jrq h LYS 506 Ca 0.23 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 1jrq h LYS 506 Cb 0.54 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1jrq h LYS 506 CO -0.84 0.02 -0.57 -0.44 -2.27 0.00 0.00 179.45 175.36 1jrq h ASP 507 N 0.04 0.62 0.27 4.20 3.32 -1.57 -2.98 116.42 120.32 1jrq h ASP 507 Ca 0.15 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1jrq h ASP 507 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1jrq h ASP 507 CO -0.28 1.05 -0.19 0.44 -1.72 0.00 0.00 179.24 178.54 1jrq h ASP 508 N 0.42 0.00 -0.65 6.45 3.32 0.65 -2.77 116.42 123.85 1jrq h ASP 508 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jrq h ASP 508 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1jrq h ASP 508 CO 0.11 0.19 0.00 0.35 -1.72 0.00 0.00 179.24 178.17 1jrq n THR 509 N -4.06 1.79 0.01 0.35 -2.24 0.03 -4.52 114.28 105.64 1jrq n THR 509 Ca -0.02 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 1jrq n THR 509 Cb 0.27 0.15 0.31 0.00 -2.10 0.00 0.00 70.33 68.96 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 4.04 0.51 -0.24 -0.78 2.43 -1.34 -3.07 114.38 115.93 1jrq h ARG 510 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1jrq h ARG 510 Cb 1.42 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1jrq h ARG 510 CO 0.22 0.53 0.00 0.66 -1.51 0.00 0.00 179.97 179.87 1jrq n TYR 511 N -4.29 0.68 0.00 2.20 4.01 -1.26 -5.05 117.16 113.44 1jrq n TYR 511 Ca 0.01 -0.77 0.00 0.00 -0.16 0.00 0.00 57.90 56.99 1jrq n TYR 511 Cb 0.23 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 -0.33 1.21 3.79 2.72 0.00 -1.16 -0.72 105.19 110.70 1jrq n GLY 512 Ca 0.17 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 3.93 -0.63 2.61 2.01 -1.19 -4.29 115.64 116.08 1jrq s THR 513 Ca 0.00 1.43 -0.25 0.00 0.31 0.00 0.00 61.69 63.18 1jrq s THR 513 Cb 0.00 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.84 1jrq s THR 513 CO 0.00 -0.04 1.08 -0.22 -0.69 0.00 0.00 174.62 174.75 1jrq s LEU 514 N -2.69 3.82 0.00 4.42 2.96 -1.26 -0.60 118.68 125.34 1jrq s LEU 514 Ca 0.58 -0.48 0.22 0.00 -0.22 0.00 0.00 54.13 54.23 1jrq s LEU 514 Cb -0.19 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.81 1jrq s LEU 514 CO 0.24 -1.49 1.05 2.30 -1.32 0.00 0.00 176.35 177.13 1jrq n ILE 515 N 6.25 0.01 -3.77 6.68 -5.35 -0.36 -4.78 119.36 118.03 1jrq n ILE 515 Ca 0.02 -0.02 -0.09 0.00 -0.27 0.00 0.00 62.75 62.38 1jrq n ILE 515 Cb 0.48 0.71 -0.04 0.00 -1.74 0.00 0.00 39.64 39.05 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 -3.08 -0.24 0.15 7.28 2.15 -1.13 -4.50 116.67 117.30 1jrq s ASP 516 Ca 0.08 -0.53 -0.31 0.00 0.43 0.00 0.00 52.55 52.22 1jrq s ASP 516 Cb 0.16 0.58 -0.10 0.00 -0.30 0.00 0.00 42.92 43.26 1jrq s ASP 516 CO 0.82 -1.07 1.64 -1.00 -0.17 0.00 0.00 175.17 175.39 1jrq s HIS 517 N -3.89 2.79 -0.24 -5.34 3.76 -1.26 -1.48 115.29 109.63 1jrq s HIS 517 Ca 0.10 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 1jrq s HIS 517 Cb -0.01 -4.00 0.00 0.00 1.11 0.00 0.00 32.58 29.68 1jrq s HIS 517 CO -0.01 -3.85 0.00 0.09 -0.85 0.00 0.00 174.74 170.12 1jrq n ASN 518 N 4.52 -4.89 -3.95 1.40 4.13 0.08 -4.96 115.26 111.60 1jrq n ASN 518 Ca 0.15 0.06 -0.28 0.00 1.68 0.00 0.00 54.58 56.19 1jrq n ASN 518 Cb 0.38 -2.60 -0.17 0.00 -1.54 0.00 0.00 39.78 35.86 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 -1.55 1.23 -0.16 2.41 1.01 -0.55 -0.86 121.20 122.75 1jrq s ILE 519 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1jrq s ILE 519 Cb 0.00 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1jrq s ILE 519 CO 0.00 0.40 -0.08 -0.69 0.00 0.00 0.00 174.94 174.58 1jrq s VAL 520 N 1.62 3.45 -0.75 2.92 1.01 -0.30 -1.23 120.40 127.12 1jrq s VAL 520 Ca 0.05 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 1jrq s VAL 520 Cb -0.13 -2.50 0.06 0.00 0.00 0.00 0.00 36.38 33.82 1jrq s VAL 520 CO -0.09 0.49 1.14 -0.83 0.00 0.00 0.00 175.10 175.81 1jrq s GLY 521 N 0.54 1.25 0.22 4.51 0.00 0.23 0.06 107.32 114.12 1jrq s GLY 521 Ca -0.05 -1.81 -0.32 0.00 0.00 0.00 0.00 44.72 42.53 1jrq s GLY 521 CO 0.03 2.32 1.56 2.41 0.00 0.00 0.00 173.10 179.42 1jrq n THR 522 N 6.13 0.46 -1.96 0.90 -1.04 -1.24 -3.15 114.28 114.38 1jrq n THR 522 Ca 0.05 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.56 1jrq n THR 522 Cb 0.48 -1.68 0.02 0.00 -1.82 0.00 0.00 70.33 67.32 1jrq n THR 522 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1jrq s THR 523 N 0.51 2.45 0.29 12.58 2.01 0.10 -4.90 115.64 128.68 1jrq s THR 523 Ca 0.72 0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.92 1jrq s THR 523 Cb -0.61 -3.19 0.06 0.00 0.01 0.00 0.00 72.50 68.77 1jrq s THR 523 CO 0.42 0.02 0.81 0.00 -0.69 0.00 0.00 174.62 175.17 1jrq n HIS 524 N -0.53 -1.91 -4.32 4.92 1.44 -1.18 -1.92 115.22 111.71 1jrq n HIS 524 Ca 0.07 -1.51 -0.17 0.00 -2.01 0.00 0.00 57.72 54.10 1jrq n HIS 524 Cb 0.45 0.75 -0.10 0.00 0.12 0.00 0.00 29.99 31.21 1jrq n HIS 524 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1jrq s GLN 525 N -2.07 1.27 -0.24 -1.40 -0.21 -0.94 -0.17 119.66 115.90 1jrq s GLN 525 Ca 0.17 -1.57 0.02 0.00 0.02 0.00 0.00 55.36 54.00 1jrq s GLN 525 Cb -0.04 -0.96 0.05 0.00 1.00 0.00 0.00 33.01 33.06 1jrq s GLN 525 CO 0.09 0.13 -0.10 -1.01 -2.12 0.00 0.00 175.29 172.28 1jrq s HIS 526 N -3.09 2.91 -0.26 0.91 3.76 -0.04 -3.48 115.29 115.99 1jrq s HIS 526 Ca 0.22 -2.03 0.03 0.00 -0.15 0.00 0.00 55.06 53.12 1jrq s HIS 526 Cb 0.01 -1.81 0.06 0.00 1.11 0.00 0.00 32.58 31.95 1jrq s HIS 526 CO 0.05 -0.83 -0.08 0.42 -0.85 0.00 0.00 174.74 173.45 1jrq s ILE 527 N 1.23 2.06 -0.02 0.60 1.01 -0.03 -0.34 121.20 125.70 1jrq s ILE 527 Ca -0.06 -1.63 -0.03 0.00 0.00 0.00 0.00 60.65 58.93 1jrq s ILE 527 Cb -0.19 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1jrq s ILE 527 CO -0.06 -0.10 0.16 -0.31 0.00 0.00 0.00 174.94 174.62 1jrq s TYR 528 N 1.14 3.50 -0.06 3.97 2.02 0.03 -0.71 117.35 127.24 1jrq s TYR 528 Ca -0.06 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 1jrq s TYR 528 Cb -0.20 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 1jrq s TYR 528 CO -0.06 0.64 -0.05 1.21 -1.57 0.00 0.00 175.55 175.72 1jrq s ASN 529 N -1.79 1.36 -0.15 2.29 2.47 0.06 -0.61 114.94 118.56 1jrq s ASN 529 Ca 0.25 -0.17 -0.05 0.00 0.42 0.00 0.00 52.86 53.32 1jrq s ASN 529 Cb -0.12 -0.55 -0.03 0.00 -1.45 0.00 0.00 41.25 39.09 1jrq s ASN 529 CO 0.16 -0.08 0.00 -0.36 -3.72 0.00 0.00 177.10 173.10 1jrq s PHE 530 N 1.21 3.12 -0.38 0.43 0.08 -0.01 0.39 117.98 122.82 1jrq s PHE 530 Ca -0.06 -0.10 -0.14 0.00 0.12 0.00 0.00 56.93 56.75 1jrq s PHE 530 Cb -0.14 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1jrq s PHE 530 CO -0.02 0.10 0.28 0.50 -0.10 0.00 0.00 175.22 175.98 1jrq s ARG 531 N 0.19 3.18 -0.40 0.44 3.52 -0.52 -0.96 118.95 124.40 1jrq s ARG 531 Ca 0.01 -0.87 0.03 0.00 -0.13 0.00 0.00 55.73 54.76 1jrq s ARG 531 Cb -0.13 -3.91 0.11 0.00 -1.56 0.00 0.00 34.95 29.46 1jrq s ARG 531 CO 0.02 -0.63 0.12 -0.51 -0.81 0.00 0.00 175.30 173.49 1jrq s LEU 532 N 1.70 4.74 -1.36 -0.88 1.43 0.13 -1.75 118.68 122.68 1jrq s LEU 532 Ca 0.05 -2.35 -0.16 0.00 -1.03 0.00 0.00 54.13 50.64 1jrq s LEU 532 Cb -0.18 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.42 1jrq s LEU 532 CO 0.10 -0.36 1.97 -0.67 0.23 0.00 0.00 176.35 177.62 1jrq n ASP 533 N 4.01 4.37 -4.76 2.29 2.03 0.37 -1.02 116.55 123.85 1jrq n ASP 533 Ca 0.04 -2.87 -0.40 0.00 0.52 0.00 0.00 54.79 52.07 1jrq n ASP 533 Cb 0.40 -1.70 -0.04 0.00 -0.72 0.00 0.00 41.12 39.06 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 3.35 4.52 -0.52 -2.67 1.43 -1.26 -0.80 118.68 122.73 1jrq s LEU 534 Ca 0.51 2.33 0.03 0.00 -1.03 0.00 0.00 54.13 55.97 1jrq s LEU 534 Cb 0.09 -3.63 0.15 0.00 0.03 0.00 0.00 46.19 42.83 1jrq s LEU 534 CO 0.00 -0.23 0.34 -1.81 0.23 0.00 0.00 176.35 174.87 1jrq s ASP 535 N -0.68 3.56 -0.61 2.29 1.01 -0.17 -4.67 116.67 117.40 1jrq s ASP 535 Ca 0.46 -3.10 -0.26 0.00 0.71 0.00 0.00 52.55 50.36 1jrq s ASP 535 Cb -0.33 -1.12 -0.06 0.00 1.01 0.00 0.00 42.92 42.42 1jrq s ASP 535 CO 0.42 -0.19 2.16 -0.69 0.21 0.00 0.00 175.17 177.08 1jrq s VAL 536 N -0.27 3.18 -1.60 -1.27 1.01 -1.26 -2.93 120.40 117.27 1jrq s VAL 536 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1jrq s VAL 536 Cb -0.13 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1jrq s VAL 536 CO -0.09 -0.44 0.00 -0.67 0.00 0.00 0.00 175.10 173.90 1jrq n ASP 537 N 14.88 -4.55 0.00 3.32 -0.08 0.97 -4.56 116.55 126.53 1jrq n ASP 537 Ca 0.32 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1jrq n ASP 537 Cb 0.52 -3.99 0.00 0.00 2.34 0.00 0.00 41.12 39.99 1jrq n ASP 537 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jrq n GLY 538 N -0.56 2.65 0.08 0.27 0.00 -1.15 -4.78 105.19 101.70 1jrq n GLY 538 Ca -0.18 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1jrq n GLY 538 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jrq h GLU 539 N 0.00 -0.08 -6.50 1.61 4.81 -1.85 -3.40 114.58 109.17 1jrq h GLU 539 Ca 0.00 0.01 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1jrq h GLU 539 Cb 0.00 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1jrq h GLU 539 CO 0.00 0.40 1.08 -0.80 -0.73 0.00 0.00 179.01 178.96 1jrq s ASN 540 N -5.61 6.27 0.35 1.04 0.01 -1.26 -3.62 114.94 112.12 1jrq s ASN 540 Ca -0.15 0.69 0.03 0.00 -0.71 0.00 0.00 52.86 52.72 1jrq s ASN 540 Cb 0.01 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 1jrq s ASN 540 CO 0.63 -1.52 0.13 0.20 -1.51 0.00 0.00 177.10 175.03 1jrq s ASN 541 N 4.13 2.21 0.02 -1.22 0.01 -0.61 -4.39 114.94 115.09 1jrq s ASN 541 Ca 0.59 -1.57 -0.02 0.00 -0.71 0.00 0.00 52.86 51.16 1jrq s ASN 541 Cb -0.13 0.34 -0.02 0.00 0.41 0.00 0.00 41.25 41.86 1jrq s ASN 541 CO 0.31 -0.85 0.01 -0.44 -1.51 0.00 0.00 177.10 174.62 1jrq s SER 542 N -3.49 0.22 -0.26 -1.22 0.01 0.69 -1.39 113.70 108.26 1jrq s SER 542 Ca 0.31 -0.50 -0.18 0.00 1.31 0.00 0.00 55.95 56.89 1jrq s SER 542 Cb 0.05 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 1jrq s SER 542 CO 0.16 -0.36 0.54 -0.22 0.41 0.00 0.00 173.24 173.77 1jrq s LEU 543 N -1.64 4.06 -0.08 2.44 2.96 -1.26 -0.54 118.68 124.61 1jrq s LEU 543 Ca -0.13 0.57 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 1jrq s LEU 543 Cb -0.07 -2.70 -0.00 0.00 0.50 0.00 0.00 46.19 43.91 1jrq s LEU 543 CO -0.02 -0.30 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.80 1jrq s VAL 544 N 2.30 1.94 -0.00 1.68 1.01 0.97 -0.31 120.40 127.98 1jrq s VAL 544 Ca 0.22 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1jrq s VAL 544 Cb -0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1jrq s VAL 544 CO 0.09 0.53 0.23 0.00 0.00 0.00 0.00 175.10 175.95 1jrq s ALA 545 N 0.24 3.90 -0.24 5.51 0.00 0.47 -0.27 121.76 131.37 1jrq s ALA 545 Ca -0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1jrq s ALA 545 Cb -0.16 -1.98 0.08 0.00 0.00 0.00 0.00 23.12 21.06 1jrq s ALA 545 CO 0.07 0.69 0.11 -1.64 0.00 0.00 0.00 175.76 174.99 1jrq s MET 546 N -1.82 0.16 -0.34 0.00 -1.94 0.03 -1.79 119.30 113.59 1jrq s MET 546 Ca 0.27 -0.36 -0.09 0.00 -1.71 0.00 0.00 55.69 53.80 1jrq s MET 546 Cb -0.13 -1.45 0.02 0.00 2.01 0.00 0.00 34.83 35.27 1jrq s MET 546 CO 0.17 -0.88 0.16 -0.51 -0.01 0.00 0.00 175.02 173.95 1jrq s ASP 547 N 2.10 5.53 0.13 3.03 1.01 -0.38 -1.13 116.67 126.95 1jrq s ASP 547 Ca 0.06 -0.83 -0.31 0.00 0.71 0.00 0.00 52.55 52.18 1jrq s ASP 547 Cb -0.16 -1.97 -0.10 0.00 1.01 0.00 0.00 42.92 41.69 1jrq s ASP 547 CO -0.25 -0.29 1.80 -2.84 0.21 0.00 0.00 175.17 173.80 1jrq s PRO 548 N 1.54 4.14 0.15 8.23 0.02 -1.26 -1.80 135.00 146.02 1jrq s PRO 548 Ca 0.02 2.57 0.02 0.00 0.02 0.00 0.00 61.00 63.64 1jrq s PRO 548 Cb -0.18 -3.54 -0.04 0.00 0.02 0.00 0.00 34.50 30.75 1jrq s PRO 548 CO 0.05 -0.82 -0.04 0.14 -0.33 0.00 0.00 177.00 176.00 1jrq s VAL 549 N 2.56 0.80 -0.28 3.83 -7.23 0.21 -4.94 120.40 115.35 1jrq s VAL 549 Ca 0.80 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.87 1jrq s VAL 549 Cb -0.46 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1jrq s VAL 549 CO 0.35 -0.64 0.19 -0.69 -0.31 0.00 0.00 175.10 174.00 1jrq s VAL 550 N -3.57 5.29 0.13 1.32 1.01 -1.26 -0.81 120.40 122.51 1jrq s VAL 550 Ca 0.19 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.43 1jrq s VAL 550 Cb 0.05 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 1jrq s VAL 550 CO 0.01 0.26 -0.22 -0.54 0.00 0.00 0.00 175.10 174.60 1jrq s LYS 551 N 1.70 1.27 0.41 2.72 1.02 -0.42 -4.92 119.74 121.52 1jrq s LYS 551 Ca 0.07 -1.30 -0.27 0.00 0.02 0.00 0.00 55.97 54.49 1jrq s LYS 551 Cb -0.16 -1.56 -0.10 0.00 -0.52 0.00 0.00 37.83 35.49 1jrq s LYS 551 CO 0.10 0.35 1.47 -2.14 -0.92 0.00 0.00 175.35 174.22 1jrq s PRO 552 N -2.21 3.91 0.06 -1.68 0.02 -1.26 0.81 135.00 134.64 1jrq s PRO 552 Ca 0.12 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.37 1jrq s PRO 552 Cb -0.09 -2.83 -0.05 0.00 0.02 0.00 0.00 34.50 31.55 1jrq s PRO 552 CO 0.06 -0.68 1.14 1.21 -0.33 0.00 0.00 177.00 178.40 1jrq s ASN 553 N -0.28 7.16 0.00 2.53 3.04 -0.18 -4.64 114.94 122.58 1jrq s ASN 553 Ca 0.57 1.95 0.00 0.00 0.04 0.00 0.00 52.86 55.41 1jrq s ASN 553 Cb -0.46 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 36.67 1jrq s ASN 553 CO 0.61 -0.40 0.89 0.35 -3.04 0.00 0.00 177.10 175.51 1jrq n THR 554 N 3.76 0.79 1.22 -5.21 -2.24 -1.26 -4.67 114.28 106.66 1jrq n THR 554 Ca 0.08 -0.84 0.13 0.00 -2.27 0.00 0.00 64.05 61.15 1jrq n THR 554 Cb 0.47 0.62 0.30 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.39 3.06 0.00 6.98 0.00 -1.26 -5.08 120.51 123.81 1jrq n ALA 555 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1jrq n ALA 555 Cb 0.25 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.33 0.09 0.00 0.00 0.00 -1.26 -5.12 105.19 100.23 1jrq n GLY 556 Ca 0.13 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 0.11 -0.65 0.30 -0.02 0.00 -1.26 -4.63 105.19 99.05 1jrq n GLY 557 Ca 0.00 -1.71 0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.44 132.00 121.49 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 0.04 0.00 0.11 0.00 0.00 31.00 31.15 1jrq h PRO 558 CO 0.00 0.00 0.65 1.03 -0.21 0.00 0.00 178.00 179.47 1jrq s ARG 559 N -4.64 4.38 0.07 1.05 1.81 -1.26 -4.94 118.95 115.42 1jrq s ARG 559 Ca -0.05 2.12 0.21 0.00 -1.72 0.00 0.00 55.73 56.29 1jrq s ARG 559 Cb 0.15 -3.15 -0.16 0.00 -0.45 0.00 0.00 34.95 31.34 1jrq s ARG 559 CO 0.55 -0.22 0.74 0.25 -0.68 0.00 0.00 175.30 175.93 1jrq n THR 560 N 1.98 0.57 -4.16 0.02 -2.24 -1.26 -4.58 114.28 104.61 1jrq n THR 560 Ca 0.04 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.14 1jrq n THR 560 Cb 0.42 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 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 -5.16 0.27 0.14 3.42 1.04 -1.26 -1.01 113.70 111.14 1jrq s SER 561 Ca -0.04 -1.25 0.01 0.00 0.48 0.00 0.00 55.95 55.15 1jrq s SER 561 Cb 0.11 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1jrq s SER 561 CO 0.84 -0.75 -0.01 0.42 0.98 0.00 0.00 173.24 174.72 1jrq s THR 562 N -4.07 0.55 -0.35 2.02 -4.23 0.24 -4.61 115.64 105.19 1jrq s THR 562 Ca 0.27 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.73 1jrq s THR 562 Cb 0.07 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.97 1jrq s THR 562 CO 0.04 -0.62 0.20 -0.04 -0.54 0.00 0.00 174.62 173.67 1jrq s MET 563 N -3.92 3.14 0.33 3.99 -1.94 -1.26 -1.30 119.30 118.35 1jrq s MET 563 Ca 0.20 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1jrq s MET 563 Cb 0.06 -3.71 -0.04 0.00 2.01 0.00 0.00 34.83 33.15 1jrq s MET 563 CO 0.00 -0.56 0.11 -0.65 -0.01 0.00 0.00 175.02 173.91 1jrq s GLN 564 N 1.62 1.68 -0.03 2.03 -0.21 0.01 -4.99 119.66 119.77 1jrq s GLN 564 Ca 0.04 -1.97 0.05 0.00 0.02 0.00 0.00 55.36 53.50 1jrq s GLN 564 Cb -0.18 -0.50 -0.01 0.00 1.00 0.00 0.00 33.01 33.32 1jrq s GLN 564 CO 0.08 -0.36 -0.19 0.08 -2.12 0.00 0.00 175.29 172.78 1jrq s VAL 565 N -3.42 1.54 -0.50 1.09 1.01 -1.26 0.65 120.40 119.50 1jrq s VAL 565 Ca 0.33 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1jrq s VAL 565 Cb 0.06 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 35.20 1jrq s VAL 565 CO 0.15 0.44 0.56 0.21 0.00 0.00 0.00 175.10 176.46 1jrq s ASN 566 N -0.16 6.20 -0.10 3.32 3.84 -0.74 -4.91 114.94 122.38 1jrq s ASN 566 Ca 0.00 -1.08 -0.03 0.00 0.21 0.00 0.00 52.86 51.96 1jrq s ASN 566 Cb -0.10 -2.26 -0.03 0.00 -0.55 0.00 0.00 41.25 38.30 1jrq s ASN 566 CO 0.01 -0.83 0.04 -1.58 -2.79 0.00 0.00 177.10 171.95 1jrq s GLN 567 N 2.33 3.11 -0.21 0.43 0.74 -1.26 -1.25 119.66 123.55 1jrq s GLN 567 Ca 0.11 -0.33 -0.28 0.00 0.05 0.00 0.00 55.36 54.91 1jrq s GLN 567 Cb -0.21 -2.90 0.12 0.00 1.10 0.00 0.00 33.01 31.12 1jrq s GLN 567 CO 0.10 0.72 1.01 1.52 -0.55 0.00 0.00 175.29 178.08 1jrq s TYR 568 N -0.91 -0.42 0.45 1.67 1.13 -0.74 -5.00 117.35 113.53 1jrq s TYR 568 Ca 0.14 0.85 -0.20 0.00 -1.41 0.00 0.00 57.07 56.44 1jrq s TYR 568 Cb -0.12 0.41 -0.10 0.00 -1.10 0.00 0.00 41.96 41.06 1jrq s TYR 568 CO 0.03 -0.30 0.97 -0.80 -2.51 0.00 0.00 175.55 172.94 1jrq s ASN 569 N -0.55 6.78 -0.46 -0.18 -0.87 -1.26 -0.39 114.94 118.00 1jrq s ASN 569 Ca 0.00 1.73 -0.04 0.00 -1.57 0.00 0.00 52.86 52.98 1jrq s ASN 569 Cb -0.02 -2.54 0.12 0.00 -0.02 0.00 0.00 41.25 38.79 1jrq s ASN 569 CO -0.02 -0.47 0.28 -0.63 -2.57 0.00 0.00 177.10 173.69 1jrq s ILE 570 N -2.17 3.59 -0.86 0.60 1.01 0.58 -4.88 121.20 119.06 1jrq s ILE 570 Ca 0.63 -2.14 0.24 0.00 0.00 0.00 0.00 60.65 59.38 1jrq s ILE 570 Cb -0.11 -3.41 0.22 0.00 0.01 0.00 0.00 42.46 39.17 1jrq s ILE 570 CO 0.16 -0.74 1.74 0.61 0.00 0.00 0.00 174.94 176.70 1jrq n GLY 571 N 4.49 -1.37 3.15 6.18 0.00 -1.26 -4.35 105.19 112.03 1jrq n GLY 571 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.52 0.29 0.33 1.61 6.03 -1.26 -0.48 114.94 117.95 1jrq s ASN 572 Ca 0.10 -0.83 0.08 0.00 -1.03 0.00 0.00 52.86 51.19 1jrq s ASN 572 Cb 0.13 0.28 0.80 0.00 -3.03 0.00 0.00 41.25 39.43 1jrq s ASN 572 CO 0.45 -0.67 1.81 -0.33 -2.03 0.00 0.00 177.10 176.33 1jrq h GLU 573 N 2.93 0.69 -0.61 3.55 5.08 -1.28 -0.75 114.58 124.19 1jrq h GLU 573 Ca -0.34 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 1jrq h GLU 573 Cb 1.17 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1jrq h GLU 573 CO 0.61 0.46 0.01 1.96 -1.00 0.00 0.00 179.01 181.04 1jrq h GLN 574 N 0.71 1.08 0.00 2.33 1.08 -1.84 -2.21 115.11 116.26 1jrq h GLN 574 Ca 0.53 -0.34 -0.12 0.00 -1.45 0.00 0.00 58.65 57.27 1jrq h GLN 574 Cb 0.89 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 1jrq h GLN 574 CO -0.30 1.04 -0.58 -0.44 -0.95 0.00 0.00 178.83 177.60 1jrq h ASP 575 N 0.98 0.00 0.86 1.46 3.32 -1.70 -3.08 116.42 118.26 1jrq h ASP 575 Ca 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 1jrq h ASP 575 Cb 0.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1jrq h ASP 575 CO 0.03 0.58 -0.15 0.00 -1.72 0.00 0.00 179.24 177.98 1jrq h ALA 576 N 1.42 1.05 -1.32 3.45 0.00 -0.78 -3.39 119.26 119.68 1jrq h ALA 576 Ca -0.01 -0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 1jrq h ALA 576 Cb 1.15 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1jrq h ALA 576 CO 0.08 0.18 1.16 0.00 0.00 0.00 0.00 179.25 180.67 1jrq s ALA 577 N -3.74 2.61 0.28 0.00 0.00 -0.87 -3.86 121.76 116.20 1jrq s ALA 577 Ca 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 1jrq s ALA 577 Cb 0.10 -4.32 -0.01 0.00 0.00 0.00 0.00 23.12 18.90 1jrq s ALA 577 CO 0.60 -3.49 0.39 1.14 0.00 0.00 0.00 175.76 174.40 1jrq s GLN 578 N 5.88 1.64 0.53 0.00 -2.07 0.19 -5.00 119.66 120.82 1jrq s GLN 578 Ca 0.43 -1.59 -0.17 0.00 -1.82 0.00 0.00 55.36 52.21 1jrq s GLN 578 Cb -0.08 0.41 -0.07 0.00 -1.09 0.00 0.00 33.01 32.18 1jrq s GLN 578 CO 0.12 -0.65 1.01 0.15 -1.32 0.00 0.00 175.29 174.59 1jrq s LYS 579 N -3.62 3.79 -0.22 9.60 -0.14 -1.26 -1.42 119.74 126.47 1jrq s LYS 579 Ca 0.31 1.07 -0.04 0.00 -1.36 0.00 0.00 55.97 55.94 1jrq s LYS 579 Cb 0.01 -2.11 -0.01 0.00 -1.68 0.00 0.00 37.83 34.04 1jrq s LYS 579 CO 0.15 -0.41 -0.02 0.12 -0.76 0.00 0.00 175.35 174.43 1jrq s PHE 580 N -2.49 2.98 -0.35 3.18 5.36 -1.26 -4.81 117.98 120.59 1jrq s PHE 580 Ca 0.61 -0.78 -0.15 0.00 -0.96 0.00 0.00 56.93 55.66 1jrq s PHE 580 Cb -0.12 -2.11 -0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1jrq s PHE 580 CO 0.30 -0.46 0.33 0.34 -1.46 0.00 0.00 175.22 174.28 1jrq s ASP 581 N 1.39 6.14 0.00 6.13 -1.08 -1.26 -4.91 116.67 123.08 1jrq s ASP 581 Ca 0.05 -0.38 0.05 0.00 -0.52 0.00 0.00 52.55 51.75 1jrq s ASP 581 Cb -0.14 -2.18 0.23 0.00 -1.46 0.00 0.00 42.92 39.37 1jrq s ASP 581 CO -0.01 -0.34 1.08 -0.81 0.52 0.00 0.00 175.17 175.60 1jrq n PRO 582 N 5.32 0.04 0.00 4.34 -0.04 -1.26 -0.72 135.00 142.67 1jrq n PRO 582 Ca -0.10 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1jrq n PRO 582 Cb 0.49 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.93 -1.30 3.88 0.55 0.00 -1.26 -4.90 105.19 101.23 1jrq n GLY 583 Ca 0.02 -0.28 -0.24 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 -2.98 2.03 -0.07 2.61 -4.23 0.10 -4.51 115.64 108.60 1jrq s THR 584 Ca 0.12 -1.45 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1jrq s THR 584 Cb 0.18 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.53 1jrq s THR 584 CO 0.65 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.88 1jrq s ILE 585 N -2.66 1.84 -0.15 2.99 1.01 -0.28 -4.94 121.20 119.00 1jrq s ILE 585 Ca 0.40 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1jrq s ILE 585 Cb -0.02 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.90 1jrq s ILE 585 CO 0.24 0.52 -0.13 -0.13 0.00 0.00 0.00 174.94 175.44 1jrq s ARG 586 N 0.08 2.15 0.10 2.79 1.81 -1.26 -0.79 118.95 123.83 1jrq s ARG 586 Ca -0.09 -0.56 0.10 0.00 -1.72 0.00 0.00 55.73 53.46 1jrq s ARG 586 Cb -0.14 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.23 1jrq s ARG 586 CO 0.05 -0.27 -0.23 -0.51 -0.68 0.00 0.00 175.30 173.66 1jrq s LEU 587 N 1.50 2.46 -0.37 2.53 1.43 0.63 -0.31 118.68 126.54 1jrq s LEU 587 Ca 0.04 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.46 1jrq s LEU 587 Cb -0.13 -1.37 0.07 0.00 0.03 0.00 0.00 46.19 44.78 1jrq s LEU 587 CO -0.10 0.20 0.16 -0.22 0.23 0.00 0.00 176.35 176.62 1jrq s LEU 588 N -1.88 4.72 0.25 1.79 2.96 -0.42 -0.02 118.68 126.08 1jrq s LEU 588 Ca 0.15 -1.50 0.08 0.00 -0.22 0.00 0.00 54.13 52.65 1jrq s LEU 588 Cb -0.10 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1jrq s LEU 588 CO 0.07 -0.43 0.07 -0.44 -1.32 0.00 0.00 176.35 174.29 1jrq s SER 589 N 1.70 4.92 -0.41 3.68 0.01 0.29 -1.55 113.70 122.35 1jrq s SER 589 Ca 0.02 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 56.75 1jrq s SER 589 Cb -0.21 -1.07 0.09 0.00 0.21 0.00 0.00 66.02 65.04 1jrq s SER 589 CO 0.00 0.00 0.22 0.21 0.41 0.00 0.00 173.24 174.08 1jrq s ASN 590 N -3.61 5.42 0.00 2.44 3.84 -0.27 -0.22 114.94 122.53 1jrq s ASN 590 Ca 0.31 -1.73 0.11 0.00 0.21 0.00 0.00 52.86 51.77 1jrq s ASN 590 Cb -0.07 -1.90 0.57 0.00 -0.55 0.00 0.00 41.25 39.30 1jrq s ASN 590 CO 0.21 -0.53 1.26 -0.81 -2.79 0.00 0.00 177.10 174.44 1jrq n PRO 591 N 4.76 0.16 -0.00 0.43 -0.04 -1.26 -2.54 135.00 136.52 1jrq n PRO 591 Ca -0.07 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 1jrq n PRO 591 Cb 0.42 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.28 0.92 -3.99 3.54 3.02 -1.26 -4.94 115.26 111.26 1jrq n ASN 592 Ca 0.05 -0.92 -0.18 0.00 -0.03 0.00 0.00 54.58 53.50 1jrq n ASN 592 Cb 0.09 1.07 -0.15 0.00 -0.61 0.00 0.00 39.78 40.18 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 -3.01 0.63 0.20 3.52 1.02 -1.05 -5.11 119.74 115.93 1jrq s LYS 593 Ca 0.07 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.85 1jrq s LYS 593 Cb 0.16 -0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 36.81 1jrq s LYS 593 CO 0.86 0.15 -0.08 -1.21 -0.92 0.00 0.00 175.35 174.15 1jrq s GLU 594 N -0.13 1.25 0.75 1.68 2.02 -1.26 -1.26 118.70 121.75 1jrq s GLU 594 Ca 0.02 -1.58 -0.03 0.00 0.02 0.00 0.00 54.97 53.40 1jrq s GLU 594 Cb -0.03 -0.80 0.13 0.00 0.10 0.00 0.00 34.13 33.53 1jrq s GLU 594 CO -0.00 0.05 1.03 0.54 0.02 0.00 0.00 175.26 176.90 1jrq s ASN 595 N -3.27 4.24 0.59 -0.19 6.03 0.73 -4.78 114.94 118.30 1jrq s ASN 595 Ca 0.22 -0.21 0.30 0.00 -1.03 0.00 0.00 52.86 52.14 1jrq s ASN 595 Cb 0.03 -0.16 1.27 0.00 -3.03 0.00 0.00 41.25 39.35 1jrq s ASN 595 CO 0.05 -1.94 1.62 -0.09 -2.03 0.00 0.00 177.10 174.71 1jrq h ARG 596 N -0.66 0.00 -0.60 3.55 2.43 -1.89 0.21 114.38 117.41 1jrq h ARG 596 Ca -0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1jrq h ARG 596 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1jrq h ARG 596 CO 0.42 0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.55 1jrq n MET 597 N -3.55 2.45 -1.01 0.20 2.81 -1.26 -4.94 117.12 111.82 1jrq n MET 597 Ca 0.18 -2.25 -0.00 0.00 -1.81 0.00 0.00 57.70 53.82 1jrq n MET 597 Cb 1.17 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 32.18 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 1.50 0.46 3.84 3.03 0.00 0.72 -5.04 105.19 109.71 1jrq n GLY 598 Ca 0.21 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.49 6.67 0.12 1.61 0.02 -1.25 -4.80 114.94 114.82 1jrq s ASN 599 Ca 0.00 0.80 -0.32 0.00 -1.02 0.00 0.00 52.86 52.32 1jrq s ASN 599 Cb 0.00 -2.20 -0.11 0.00 0.02 0.00 0.00 41.25 38.96 1jrq s ASN 599 CO 0.00 0.33 1.81 -2.65 0.02 0.00 0.00 177.10 176.61 1jrq n PRO 600 N 2.00 2.70 -1.72 -0.60 -0.02 -1.26 -0.19 135.00 135.91 1jrq n PRO 600 Ca -0.15 0.98 -0.42 0.00 -2.02 0.00 0.00 63.50 61.89 1jrq n PRO 600 Cb 0.53 -2.86 -0.03 0.00 -0.02 0.00 0.00 33.50 31.12 1jrq n PRO 600 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1jrq n VAL 601 N 4.55 0.11 -4.08 -1.45 0.24 -0.38 -4.73 118.33 112.58 1jrq n VAL 601 Ca 0.18 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 62.34 1jrq n VAL 601 Cb 0.36 -1.98 -0.06 0.00 -1.47 0.00 0.00 33.84 30.69 1jrq n VAL 601 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1jrq s SER 602 N 1.10 0.29 -0.07 -1.34 0.01 -0.78 -1.12 113.70 111.79 1jrq s SER 602 Ca 0.74 -1.22 0.02 0.00 1.31 0.00 0.00 55.95 56.80 1jrq s SER 602 Cb -0.51 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.30 1jrq s SER 602 CO 0.34 -1.11 -0.13 -0.31 0.41 0.00 0.00 173.24 172.44 1jrq s TYR 603 N -3.76 1.54 -0.06 2.43 1.51 -0.60 -0.15 117.35 118.26 1jrq s TYR 603 Ca 0.29 -0.59 -0.22 0.00 -1.01 0.00 0.00 57.07 55.54 1jrq s TYR 603 Cb 0.01 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.70 1jrq s TYR 603 CO 0.13 -0.30 0.66 -1.14 -1.11 0.00 0.00 175.55 173.80 1jrq s GLN 604 N 0.69 4.42 -0.25 -0.62 0.74 0.22 -1.30 119.66 123.55 1jrq s GLN 604 Ca -0.14 0.82 -0.10 0.00 0.05 0.00 0.00 55.36 55.98 1jrq s GLN 604 Cb -0.16 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.47 1jrq s GLN 604 CO 0.03 0.12 0.16 0.42 -0.55 0.00 0.00 175.29 175.48 1jrq s ILE 605 N 0.62 5.24 -0.42 -2.34 1.01 0.58 -1.45 121.20 124.44 1jrq s ILE 605 Ca 0.35 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1jrq s ILE 605 Cb -0.18 -3.46 0.12 0.00 0.01 0.00 0.00 42.46 38.95 1jrq s ILE 605 CO 0.17 0.31 0.20 -0.63 0.00 0.00 0.00 174.94 174.99 1jrq s ILE 606 N 1.35 1.69 0.38 2.92 1.01 -0.07 -4.37 121.20 124.11 1jrq s ILE 606 Ca 0.07 -2.51 0.34 0.00 0.00 0.00 0.00 60.65 58.55 1jrq s ILE 606 Cb -0.15 -2.20 0.37 0.00 0.01 0.00 0.00 42.46 40.49 1jrq s ILE 606 CO 0.07 -0.80 2.12 -0.65 0.00 0.00 0.00 174.94 175.68 1jrq h PRO 607 N 7.02 0.00 -3.38 2.79 0.11 -1.88 -1.71 132.00 134.94 1jrq h PRO 607 Ca -0.05 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.47 1jrq h PRO 607 Cb 0.95 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.66 1jrq h PRO 607 CO 0.53 0.05 -0.76 -0.47 -0.21 0.00 0.00 178.00 177.14 1jrq s TYR 608 N -4.00 1.64 -0.78 0.65 5.04 -1.26 -4.61 117.35 114.02 1jrq s TYR 608 Ca -0.02 -1.80 0.12 0.00 -2.44 0.00 0.00 57.07 52.93 1jrq s TYR 608 Cb 0.12 -1.66 0.37 0.00 0.35 0.00 0.00 41.96 41.13 1jrq s TYR 608 CO 0.52 -0.86 1.30 0.00 -1.34 0.00 0.00 175.55 175.18 1jrq n ALA 609 N 4.62 2.38 0.00 3.97 0.00 0.72 -4.88 120.51 127.32 1jrq n ALA 609 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.03 1jrq n ALA 609 Cb 0.41 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 0.32 2.49 0.00 0.00 0.00 -1.22 -4.76 105.19 102.02 1jrq n GLY 610 Ca 0.14 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1jrq n GLY 610 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrq n GLY 611 N -1.51 0.91 0.17 -0.02 0.00 -1.26 -0.33 105.19 103.16 1jrq n GLY 611 Ca 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.49 1jrq n GLY 611 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jrq n THR 612 N -0.10 0.00 -4.40 2.61 -2.24 -0.32 -4.91 114.28 104.92 1jrq n THR 612 Ca 0.00 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 1jrq n THR 612 Cb 0.00 0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.78 2.46 0.48 4.78 4.02 -1.26 -4.96 115.29 118.03 1jrq s HIS 613 Ca 0.14 -0.30 -0.22 0.00 1.02 0.00 0.00 55.06 55.70 1jrq s HIS 613 Cb 0.17 -1.10 -0.09 0.00 -1.02 0.00 0.00 32.58 30.54 1jrq s HIS 613 CO 0.70 0.67 0.88 -2.30 1.02 0.00 0.00 174.74 175.71 1jrq n PRO 614 N -0.74 1.05 -3.33 8.40 -0.02 -1.26 -4.85 135.00 134.25 1jrq n PRO 614 Ca -0.05 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.43 1jrq n PRO 614 Cb 0.60 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 1jrq n PRO 614 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jrq s VAL 615 N -1.41 4.81 -0.20 -1.45 1.01 -1.26 -1.73 120.40 120.16 1jrq s VAL 615 Ca 0.67 1.12 -0.24 0.00 0.00 0.00 0.00 61.98 63.52 1jrq s VAL 615 Cb -0.51 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1jrq s VAL 615 CO 0.54 0.55 0.80 0.00 0.00 0.00 0.00 175.10 176.99 1jrq s ALA 616 N -1.12 3.57 -0.76 5.51 0.00 0.01 -4.59 121.76 124.38 1jrq s ALA 616 Ca 0.28 -0.07 0.25 0.00 0.00 0.00 0.00 51.96 52.43 1jrq s ALA 616 Cb -0.19 -3.21 0.59 0.00 0.00 0.00 0.00 23.12 20.31 1jrq s ALA 616 CO 0.18 -0.73 1.52 1.63 0.00 0.00 0.00 175.76 178.35 1jrq n LYS 617 N 5.48 0.21 -1.51 0.00 5.02 -1.26 -4.58 118.16 121.52 1jrq n LYS 617 Ca 0.04 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1jrq n LYS 617 Cb 0.48 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.37 -0.66 3.68 0.72 0.00 -1.26 -4.87 105.19 104.17 1jrq n GLY 618 Ca 0.05 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 3.47 -0.49 4.61 0.00 -1.21 -4.86 121.76 122.28 1jrq s ALA 619 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.89 1jrq s ALA 619 Cb 0.00 -3.10 -0.18 0.00 0.00 0.00 0.00 23.12 19.85 1jrq s ALA 619 CO 0.00 -0.48 3.33 1.04 0.00 0.00 0.00 175.76 179.65 1jrq n GLN 620 N 4.78 2.56 -4.21 0.00 1.13 -1.26 -4.79 117.38 115.60 1jrq n GLN 620 Ca 0.02 -1.53 -0.17 0.00 -1.94 0.00 0.00 57.00 53.37 1jrq n GLN 620 Cb 0.50 -2.23 -0.13 0.00 0.11 0.00 0.00 30.24 28.48 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 0.90 0.87 0.45 1.08 0.08 -1.26 -5.01 117.98 115.09 1jrq s PHE 621 Ca 0.66 -0.34 -0.23 0.00 0.12 0.00 0.00 56.93 57.14 1jrq s PHE 621 Cb 0.29 -0.52 -0.08 0.00 -0.57 0.00 0.00 43.02 42.14 1jrq s PHE 621 CO -0.04 -0.01 1.12 0.00 -0.10 0.00 0.00 175.22 176.19 1jrq s ALA 622 N -0.86 2.98 -0.88 5.36 0.00 -1.26 -4.84 121.76 122.25 1jrq s ALA 622 Ca -0.02 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1jrq s ALA 622 Cb -0.07 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1jrq s ALA 622 CO 0.01 -0.53 0.83 -0.35 0.00 0.00 0.00 175.76 175.72 1jrq n PRO 623 N -0.46 0.00 -0.12 0.00 -0.04 -1.26 -1.03 135.00 132.08 1jrq n PRO 623 Ca 0.07 0.34 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1jrq n PRO 623 Cb 0.49 -1.59 0.16 0.00 -0.04 0.00 0.00 33.50 32.51 1jrq n PRO 623 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jrq n ASP 624 N -1.33 3.07 -4.78 3.54 5.75 -1.26 -4.69 116.55 116.84 1jrq n ASP 624 Ca 0.00 -1.90 -0.36 0.00 -0.01 0.00 0.00 54.79 52.52 1jrq n ASP 624 Cb 0.09 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.42 3.94 0.26 0.11 0.41 -0.20 -4.95 118.70 116.84 1jrq s GLU 625 Ca 0.31 1.53 0.02 0.00 -0.41 0.00 0.00 54.97 56.42 1jrq s GLU 625 Cb 0.19 -2.36 0.33 0.00 -1.78 0.00 0.00 34.13 30.51 1jrq s GLU 625 CO 0.27 -0.34 1.65 -1.49 -0.49 0.00 0.00 175.26 174.86 1jrq h TRP 626 N 2.08 0.49 -0.66 1.61 4.06 -1.90 -2.65 115.95 118.99 1jrq h TRP 626 Ca -0.49 -0.13 -0.04 0.00 2.06 0.00 0.00 58.89 60.28 1jrq h TRP 626 Cb 1.23 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 29.25 1jrq h TRP 626 CO 0.56 0.75 0.24 0.97 -3.56 0.00 0.00 178.44 177.40 1jrq h ILE 627 N 0.35 1.23 -0.34 1.49 2.10 -1.93 0.10 117.51 120.52 1jrq h ILE 627 Ca 0.03 -0.76 -0.00 0.00 1.08 0.00 0.00 64.86 65.21 1jrq h ILE 627 Cb 0.84 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.03 1jrq h ILE 627 CO 0.07 0.30 0.20 0.22 -1.08 0.00 0.00 178.15 177.86 1jrq h TYR 628 N 0.95 0.46 -0.50 2.19 5.03 -1.82 -0.86 116.97 122.42 1jrq h TYR 628 Ca 0.22 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.43 1jrq h TYR 628 Cb 0.21 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1jrq h TYR 628 CO 0.02 0.35 -0.06 1.25 -1.32 0.00 0.00 178.16 178.39 1jrq h HIS 629 N 0.44 1.03 -0.27 -3.82 2.76 -1.09 -3.16 115.15 111.05 1jrq h HIS 629 Ca 0.12 -0.20 -0.10 0.00 -2.20 0.00 0.00 60.37 57.99 1jrq h HIS 629 Cb 0.03 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1jrq h HIS 629 CO -0.03 0.97 -0.26 0.00 -1.30 0.00 0.00 177.93 177.31 1jrq h ARG 630 N 0.79 0.52 -2.86 5.26 3.08 -0.63 -3.34 114.38 117.19 1jrq h ARG 630 Ca 0.13 -0.20 -0.61 0.00 0.07 0.00 0.00 59.98 59.37 1jrq h ARG 630 Cb 0.61 -0.03 -0.42 0.00 0.08 0.00 0.00 29.97 30.21 1jrq h ARG 630 CO 0.04 0.73 -0.59 1.28 -1.07 0.00 0.00 179.97 180.36 1jrq n LEU 631 N -4.11 3.12 0.15 3.04 4.77 -0.34 -3.84 117.00 119.79 1jrq n LEU 631 Ca -0.00 -5.25 0.07 0.00 -0.03 0.00 0.00 56.01 50.80 1jrq n LEU 631 Cb 0.41 -0.71 0.57 0.00 -2.33 0.00 0.00 43.42 41.36 1jrq n LEU 631 CO 0.42 1.83 1.11 0.28 -1.33 0.00 0.00 177.39 179.70 1jrq h SER 632 N 5.10 0.17 -0.57 -1.43 0.02 -1.73 -2.92 113.55 112.19 1jrq h SER 632 Ca 0.16 -0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.27 1jrq h SER 632 Cb 0.73 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1jrq h SER 632 CO 0.74 0.12 0.55 2.19 -1.14 0.00 0.00 176.83 179.29 1jrq h PHE 633 N 0.20 0.00 0.00 3.45 -0.00 -1.91 -2.47 116.94 116.20 1jrq h PHE 633 Ca 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.02 1jrq h PHE 633 Cb 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.98 1jrq h PHE 633 CO -0.00 0.00 -0.10 0.52 -0.00 0.00 0.00 178.31 178.73 1jrq h MET 634 N 0.00 0.00 -0.24 6.09 2.86 -1.90 -3.28 114.93 118.47 1jrq h MET 634 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1jrq h MET 634 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1jrq h MET 634 CO -0.00 0.10 0.00 -3.47 1.06 0.00 0.00 176.91 174.60 1jrq n ASP 635 N -3.30 2.91 -3.91 1.22 2.03 -0.93 -3.28 116.55 111.29 1jrq n ASP 635 Ca -0.00 -1.92 -0.16 0.00 0.52 0.00 0.00 54.79 53.23 1jrq n ASP 635 Cb 0.32 -0.15 -0.15 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.71 0.40 0.25 -0.67 -0.14 -1.24 -4.75 119.74 111.89 1jrq s LYS 636 Ca 0.35 -0.10 0.21 0.00 -1.36 0.00 0.00 55.97 55.07 1jrq s LYS 636 Cb 0.21 -0.43 0.07 0.00 -1.68 0.00 0.00 37.83 35.99 1jrq s LYS 636 CO 0.30 0.03 1.18 1.96 -0.76 0.00 0.00 175.35 178.06 1jrq h GLN 637 N 6.42 0.00 -5.21 1.68 7.50 -1.46 -3.39 115.11 120.65 1jrq h GLN 637 Ca -0.32 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.36 1jrq h GLN 637 Cb 1.18 0.00 -0.29 0.00 0.05 0.00 0.00 27.48 28.42 1jrq h GLN 637 CO 0.49 0.08 -0.81 -1.17 -1.50 0.00 0.00 178.83 175.93 1jrq s LEU 638 N -5.72 2.01 -0.05 1.46 2.96 -0.80 -0.54 118.68 118.01 1jrq s LEU 638 Ca 0.01 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1jrq s LEU 638 Cb 0.08 -0.70 0.01 0.00 0.50 0.00 0.00 46.19 46.09 1jrq s LEU 638 CO 0.76 0.16 0.18 0.26 -1.32 0.00 0.00 176.35 176.39 1jrq s TRP 639 N -0.29 -0.14 -0.03 5.38 0.52 -0.64 -0.63 118.94 123.11 1jrq s TRP 639 Ca 0.05 0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.50 1jrq s TRP 639 Cb -0.05 0.04 0.03 0.00 -1.15 0.00 0.00 33.47 32.34 1jrq s TRP 639 CO -0.00 -0.15 0.04 0.08 0.02 0.00 0.00 176.95 176.94 1jrq s VAL 640 N -0.28 -0.07 0.24 4.03 1.01 -1.26 0.03 120.40 124.11 1jrq s VAL 640 Ca -0.04 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1jrq s VAL 640 Cb -0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 1jrq s VAL 640 CO 0.01 0.10 0.09 0.42 0.00 0.00 0.00 175.10 175.72 1jrq s THR 641 N 1.25 0.50 0.26 3.92 -4.23 -0.22 -4.55 115.64 112.58 1jrq s THR 641 Ca -0.07 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 1jrq s THR 641 Cb -0.13 -2.57 -0.09 0.00 1.34 0.00 0.00 72.50 71.05 1jrq s THR 641 CO -0.03 -0.05 1.09 -0.13 -0.54 0.00 0.00 174.62 174.96 1jrq s ARG 642 N -4.04 4.65 0.20 3.99 0.52 -1.26 -0.17 118.95 122.84 1jrq s ARG 642 Ca 0.37 1.77 -0.33 0.00 -0.52 0.00 0.00 55.73 57.02 1jrq s ARG 642 Cb 0.08 -3.21 -0.13 0.00 0.52 0.00 0.00 34.95 32.21 1jrq s ARG 642 CO 0.12 0.22 1.62 0.98 0.02 0.00 0.00 175.30 178.26 1jrq n TYR 643 N 1.38 2.50 -3.54 -0.53 9.36 0.09 -4.78 117.16 121.64 1jrq n TYR 643 Ca -0.01 0.19 -0.10 0.00 3.32 0.00 0.00 57.90 61.30 1jrq n TYR 643 Cb 0.45 -2.59 -0.10 0.00 -0.63 0.00 0.00 39.34 36.47 1jrq n TYR 643 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1jrq s HIS 644 N 0.85 -0.72 0.53 2.98 3.76 -1.26 -5.05 115.29 116.38 1jrq s HIS 644 Ca 0.75 1.12 0.33 0.00 -0.15 0.00 0.00 55.06 57.11 1jrq s HIS 644 Cb -0.59 0.11 1.81 0.00 1.11 0.00 0.00 32.58 35.02 1jrq s HIS 644 CO 0.38 -0.55 2.01 -1.00 -0.85 0.00 0.00 174.74 174.73 1jrq h PRO 645 N 8.20 0.00 -0.64 8.40 0.13 -2.04 -2.19 132.00 143.86 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 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jrq h PRO 645 CO 0.19 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.37 1jrq n GLY 646 N -1.18 2.63 3.07 1.56 0.00 -1.26 -4.75 105.19 105.25 1jrq n GLY 646 Ca -0.02 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.17 1.97 0.00 1.61 2.02 -0.83 -4.89 118.70 117.41 1jrq s GLU 647 Ca 0.45 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 53.35 1jrq s GLU 647 Cb 0.24 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1jrq s GLU 647 CO 0.28 -1.06 0.00 0.54 0.02 0.00 0.00 175.26 175.04 1jrq n ARG 648 N 4.09 4.39 -4.77 1.61 1.74 -1.26 -4.84 116.66 117.62 1jrq n ARG 648 Ca 0.02 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 1jrq n ARG 648 Cb 0.40 -0.33 -0.17 0.00 -1.02 0.00 0.00 32.46 31.33 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 -0.66 2.00 0.47 -1.55 0.08 -1.26 -4.74 117.98 112.32 1jrq s PHE 649 Ca 0.00 -0.83 0.16 0.00 0.12 0.00 0.00 56.93 56.38 1jrq s PHE 649 Cb 0.00 -1.40 1.13 0.00 -0.57 0.00 0.00 43.02 42.18 1jrq s PHE 649 CO 0.00 -0.39 2.05 -1.00 -0.10 0.00 0.00 175.22 175.79 1jrq h PRO 650 N 7.01 0.00 -0.12 0.24 0.13 -1.93 -2.00 132.00 135.33 1jrq h PRO 650 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1jrq h PRO 650 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jrq h PRO 650 CO 0.48 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.52 1jrq n GLU 651 N -4.34 2.05 0.00 0.86 0.00 -1.26 -1.65 120.64 116.30 1jrq n GLU 651 Ca -0.03 -1.55 0.00 0.00 0.00 0.00 0.00 57.16 55.59 1jrq n GLU 651 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 31.44 30.17 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 1.28 1.27 0.27 -1.84 0.00 -0.75 -4.26 105.19 101.17 1jrq n GLY 652 Ca 0.17 -1.74 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.53 1.61 3.64 -1.82 -3.35 116.57 115.05 1jrq h LYS 653 Ca 0.00 -0.15 -0.60 0.00 -1.27 0.00 0.00 60.65 58.63 1jrq h LYS 653 Cb 0.00 -0.16 -0.41 0.00 -0.41 0.00 0.00 32.23 31.24 1jrq h LYS 653 CO 0.00 0.76 -0.66 0.66 -2.27 0.00 0.00 179.45 177.94 1jrq n TYR 654 N -4.47 2.80 0.54 1.91 4.01 -1.26 -4.96 117.16 115.73 1jrq n TYR 654 Ca 0.04 -4.10 0.08 0.00 -0.16 0.00 0.00 57.90 53.76 1jrq n TYR 654 Cb 0.14 -0.50 0.34 0.00 -0.31 0.00 0.00 39.34 39.00 1jrq n TYR 654 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1jrq n PRO 655 N 1.47 0.00 -2.07 -0.72 -0.04 -1.26 -4.45 135.00 127.93 1jrq n PRO 655 Ca 0.25 0.23 -0.43 0.00 -0.04 0.00 0.00 63.50 63.52 1jrq n PRO 655 Cb 0.40 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.34 1jrq n PRO 655 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1jrq s ASN 656 N -3.00 6.51 -1.42 3.54 2.47 -1.26 -2.66 114.94 119.12 1jrq s ASN 656 Ca 0.08 1.90 -0.00 0.00 0.42 0.00 0.00 52.86 55.25 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 0.29 -1.11 0.01 0.54 -3.72 0.00 0.00 177.10 173.11 1jrq n ARG 657 N 7.40 -2.02 -1.78 0.43 1.74 -1.26 -4.42 116.66 116.76 1jrq n ARG 657 Ca 0.18 0.80 -0.39 0.00 -0.77 0.00 0.00 57.85 57.68 1jrq n ARG 657 Cb 0.44 -5.44 0.04 0.00 -1.02 0.00 0.00 32.46 26.48 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 -2.06 5.35 0.02 0.55 1.04 -1.09 -4.80 113.70 112.71 1jrq s SER 658 Ca 0.01 2.80 0.22 0.00 0.48 0.00 0.00 55.95 59.46 1jrq s SER 658 Cb -0.00 -2.64 -0.08 0.00 0.10 0.00 0.00 66.02 63.40 1jrq s SER 658 CO 0.01 -1.52 0.92 0.35 0.98 0.00 0.00 173.24 173.98 1jrq n THR 659 N -0.90 0.07 -3.76 2.02 -2.24 -1.26 -4.63 114.28 103.58 1jrq n THR 659 Ca 0.10 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 1jrq n THR 659 Cb 0.44 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -3.17 -0.21 -0.31 4.78 -3.43 -1.26 -4.90 115.29 106.79 1jrq s HIS 660 Ca 0.04 -0.17 -0.28 0.00 -0.80 0.00 0.00 55.06 53.84 1jrq s HIS 660 Cb 0.15 0.59 -0.02 0.00 -1.43 0.00 0.00 32.58 31.87 1jrq s HIS 660 CO 0.84 -1.09 1.84 0.34 -2.00 0.00 0.00 174.74 174.66 1jrq s ASP 661 N -2.88 5.87 0.00 7.38 -1.08 -1.25 -4.83 116.67 119.88 1jrq s ASP 661 Ca 0.09 1.40 0.13 0.00 -0.52 0.00 0.00 52.55 53.65 1jrq s ASP 661 Cb -0.04 -2.52 0.28 0.00 -1.46 0.00 0.00 42.92 39.17 1jrq s ASP 661 CO 0.01 -1.71 1.17 0.35 0.52 0.00 0.00 175.17 175.52 1jrq n THR 662 N 7.41 0.66 0.00 1.71 -2.24 -1.26 -3.66 114.28 116.91 1jrq n THR 662 Ca 0.23 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1jrq n THR 662 Cb 0.46 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.72 0.55 0.35 3.38 0.00 -1.26 -4.32 105.19 104.61 1jrq n GLY 663 Ca 0.12 0.00 0.12 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 0.29 -0.50 0.99 3.38 -1.48 0.14 115.31 118.13 1jrq h LEU 664 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jrq h LEU 664 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1jrq h LEU 664 CO 0.00 0.18 0.31 1.23 0.09 0.00 0.00 178.44 180.25 1jrq h GLY 665 N 0.33 0.73 1.08 0.83 0.00 -1.84 -2.16 103.07 102.04 1jrq h GLY 665 Ca 0.24 -0.30 -0.19 0.00 0.00 0.00 0.00 47.33 47.08 1jrq h GLY 665 CO -0.06 0.29 -0.63 -1.61 0.00 0.00 0.00 176.54 174.53 1jrq h GLN 666 N 0.67 0.74 0.00 4.80 4.15 -1.22 -2.75 115.11 121.50 1jrq h GLN 666 Ca 0.18 -0.56 -0.04 0.00 0.77 0.00 0.00 58.65 59.01 1jrq h GLN 666 Cb -0.01 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1jrq h GLN 666 CO -0.03 1.18 -0.17 1.88 -1.93 0.00 0.00 178.83 179.75 1jrq h TYR 667 N 0.45 0.00 -0.06 3.99 0.05 -0.57 -2.38 116.97 118.45 1jrq h TYR 667 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1jrq h TYR 667 Cb 1.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.00 1jrq h TYR 667 CO 0.09 0.17 0.00 -1.13 -1.05 0.00 0.00 178.16 176.24 1jrq n SER 668 N -4.23 2.82 -0.28 3.88 3.41 -0.83 -4.67 113.62 113.73 1jrq n SER 668 Ca -0.02 -1.89 -0.12 0.00 -0.26 0.00 0.00 58.87 56.57 1jrq n SER 668 Cb 0.24 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 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 4.15 -0.18 0.00 4.33 1.63 -1.11 -0.41 116.57 124.98 1jrq h LYS 669 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1jrq h LYS 669 Cb 0.89 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1jrq h LYS 669 CO 0.00 -0.12 0.00 -0.25 -3.45 0.00 0.00 179.45 175.63 1jrq n ASP 670 N -5.29 0.00 -4.03 4.20 8.00 -1.26 -4.90 116.55 113.28 1jrq n ASP 670 Ca -0.01 -0.92 -0.44 0.00 0.71 0.00 0.00 54.79 54.13 1jrq n ASP 670 Cb 0.30 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.70 -4.29 -4.85 -2.24 4.05 -0.16 -4.91 115.26 102.16 1jrq n ASN 671 Ca 0.06 -1.25 -0.29 0.00 0.45 0.00 0.00 54.58 53.54 1jrq n ASN 671 Cb 0.03 -1.76 0.09 0.00 1.23 0.00 0.00 39.78 39.37 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 -7.12 1.93 0.15 1.20 2.02 -1.26 -4.61 118.70 111.01 1jrq s GLU 672 Ca 0.45 0.30 -0.30 0.00 0.02 0.00 0.00 54.97 55.43 1jrq s GLU 672 Cb -0.24 -1.93 -0.07 0.00 0.10 0.00 0.00 34.13 31.99 1jrq s GLU 672 CO 0.96 -1.65 1.03 0.45 0.02 0.00 0.00 175.26 176.07 1jrq s SER 673 N -4.30 7.38 -0.24 -0.19 0.15 -1.26 -0.95 113.70 114.29 1jrq s SER 673 Ca 0.62 1.95 0.13 0.00 0.70 0.00 0.00 55.95 59.34 1jrq s SER 673 Cb -0.12 -2.60 0.50 0.00 -1.71 0.00 0.00 66.02 62.09 1jrq s SER 673 CO 0.51 -0.14 1.43 0.18 1.20 0.00 0.00 173.24 176.42 1jrq n LEU 674 N 2.56 3.95 -4.63 3.45 4.77 0.37 -4.87 117.00 122.60 1jrq n LEU 674 Ca 0.02 -3.41 -0.40 0.00 -0.03 0.00 0.00 56.01 52.19 1jrq n LEU 674 Cb 0.48 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1jrq n LEU 674 CO 0.52 0.97 0.36 -0.62 -1.33 0.00 0.00 177.39 177.30 1jrq s ASP 675 N -2.29 6.55 -1.34 -1.43 2.15 -1.25 -4.20 116.67 114.86 1jrq s ASP 675 Ca 0.43 0.67 -0.14 0.00 0.43 0.00 0.00 52.55 53.94 1jrq s ASP 675 Cb 0.37 -2.33 0.01 0.00 -0.30 0.00 0.00 42.92 40.68 1jrq s ASP 675 CO 0.04 -0.35 0.46 -3.20 -0.17 0.00 0.00 175.17 171.96 1jrq n ASN 676 N 5.64 -2.05 -3.82 -0.34 4.05 -0.96 -4.96 115.26 112.83 1jrq n ASN 676 Ca -0.01 -1.16 -0.13 0.00 0.45 0.00 0.00 54.58 53.72 1jrq n ASN 676 Cb 0.49 -2.38 -0.08 0.00 1.23 0.00 0.00 39.78 39.05 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 -3.85 0.00 -0.52 -0.44 -1.32 -0.49 -4.60 115.64 104.42 1jrq s THR 677 Ca 0.23 -1.82 -0.27 0.00 -1.21 0.00 0.00 61.69 58.62 1jrq s THR 677 Cb -0.11 -2.47 -0.03 0.00 -1.51 0.00 0.00 72.50 68.38 1jrq s THR 677 CO 0.93 0.00 1.91 -0.62 -2.21 0.00 0.00 174.62 174.63 1jrq s ASP 678 N -3.19 5.34 0.20 8.08 -1.08 -1.24 -1.57 116.67 123.20 1jrq s ASP 678 Ca 0.35 0.68 0.00 0.00 -0.52 0.00 0.00 52.55 53.07 1jrq s ASP 678 Cb 0.03 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.93 1jrq s ASP 678 CO 0.16 -2.26 0.37 0.00 0.52 0.00 0.00 175.17 173.96 1jrq s ALA 679 N 8.87 3.86 -0.11 3.66 0.00 -1.26 -0.73 121.76 136.05 1jrq s ALA 679 Ca 0.74 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1jrq s ALA 679 Cb -0.16 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.05 1jrq s ALA 679 CO 0.25 0.42 -0.11 0.08 0.00 0.00 0.00 175.76 176.41 1jrq s VAL 680 N -1.87 1.21 -0.04 0.00 1.01 0.76 -4.21 120.40 117.28 1jrq s VAL 680 Ca 0.37 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1jrq s VAL 680 Cb -0.11 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1jrq s VAL 680 CO 0.29 0.39 0.36 -0.69 0.00 0.00 0.00 175.10 175.45 1jrq s VAL 681 N 1.40 5.14 -0.10 2.92 1.01 -0.19 -1.06 120.40 129.53 1jrq s VAL 681 Ca 0.00 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.72 1jrq s VAL 681 Cb -0.13 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1jrq s VAL 681 CO -0.06 0.56 -0.16 0.26 0.00 0.00 0.00 175.10 175.71 1jrq s TRP 682 N -0.90 1.95 -0.19 5.22 0.52 0.10 0.20 118.94 125.85 1jrq s TRP 682 Ca 0.22 -0.87 -0.02 0.00 0.02 0.00 0.00 56.10 55.45 1jrq s TRP 682 Cb -0.16 -1.39 -0.01 0.00 -1.15 0.00 0.00 33.47 30.77 1jrq s TRP 682 CO 0.11 -0.43 -0.09 -1.64 0.02 0.00 0.00 176.95 174.92 1jrq s MET 683 N 0.85 3.34 -0.18 4.98 -1.94 -0.13 -1.61 119.30 124.59 1jrq s MET 683 Ca -0.10 -0.67 -0.06 0.00 -1.71 0.00 0.00 55.69 53.16 1jrq s MET 683 Cb -0.15 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1jrq s MET 683 CO 0.01 -0.07 0.02 0.99 -0.01 0.00 0.00 175.02 175.96 1jrq s THR 684 N 1.09 4.28 -0.02 2.05 2.01 0.30 -0.83 115.64 124.51 1jrq s THR 684 Ca 0.00 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1jrq s THR 684 Cb -0.15 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.46 1jrq s THR 684 CO -0.02 0.45 -0.02 0.28 -0.69 0.00 0.00 174.62 174.62 1jrq s THR 685 N 0.63 0.28 0.24 -0.82 -1.32 0.22 -4.46 115.64 110.42 1jrq s THR 685 Ca 0.01 -0.05 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 1jrq s THR 685 Cb -0.14 -0.31 -0.01 0.00 -1.51 0.00 0.00 72.50 70.53 1jrq s THR 685 CO 0.02 0.13 0.43 -0.83 -2.21 0.00 0.00 174.62 172.16 1jrq s GLY 686 N 0.54 0.70 0.19 6.08 0.00 -1.26 -0.79 107.32 112.78 1jrq s GLY 686 Ca -0.06 -1.02 0.08 0.00 0.00 0.00 0.00 44.72 43.73 1jrq s GLY 686 CO -0.01 -0.75 -0.16 -0.51 0.00 0.00 0.00 173.10 171.67 1jrq s THR 687 N -4.01 1.79 -0.25 0.90 -4.23 0.54 -0.81 115.64 109.58 1jrq s THR 687 Ca 0.25 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1jrq s THR 687 Cb 0.00 -1.94 0.02 0.00 1.34 0.00 0.00 72.50 71.93 1jrq s THR 687 CO 0.10 -0.45 -0.04 -0.89 -0.54 0.00 0.00 174.62 172.80 1jrq s THR 688 N -2.48 3.09 -0.34 3.99 2.01 -0.71 -0.87 115.64 120.34 1jrq s THR 688 Ca 0.19 -0.91 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 1jrq s THR 688 Cb -0.03 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1jrq s THR 688 CO 0.07 0.21 0.22 -2.28 -0.69 0.00 0.00 174.62 172.16 1jrq s HIS 689 N 1.37 3.22 -0.31 4.92 5.04 0.76 -4.02 115.29 126.27 1jrq s HIS 689 Ca 0.01 -0.28 -0.03 0.00 -1.54 0.00 0.00 55.06 53.22 1jrq s HIS 689 Cb -0.16 -2.45 0.05 0.00 0.04 0.00 0.00 32.58 30.05 1jrq s HIS 689 CO -0.03 -0.38 0.03 0.08 -2.34 0.00 0.00 174.74 172.10 1jrq s VAL 690 N 1.70 3.22 1.12 0.89 1.01 -1.26 -3.08 120.40 124.00 1jrq s VAL 690 Ca 0.06 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.60 1jrq s VAL 690 Cb -0.17 -2.85 0.26 0.00 0.00 0.00 0.00 36.38 33.62 1jrq s VAL 690 CO 0.10 -0.13 1.05 0.00 0.00 0.00 0.00 175.10 176.11 1jrq s ALA 691 N 1.30 -0.16 0.11 5.51 0.00 -1.26 -5.01 121.76 122.25 1jrq s ALA 691 Ca -0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.76 1jrq s ALA 691 Cb -0.20 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1jrq s ALA 691 CO 0.00 -3.67 0.38 -0.98 0.00 0.00 0.00 175.76 171.49 1jrq s ARG 692 N -4.50 1.03 0.50 0.00 1.70 -1.26 -4.66 118.95 111.76 1jrq s ARG 692 Ca 0.68 -0.70 0.15 0.00 -0.47 0.00 0.00 55.73 55.40 1jrq s ARG 692 Cb -0.25 0.45 1.20 0.00 -0.57 0.00 0.00 34.95 35.78 1jrq s ARG 692 CO 0.63 -0.39 2.11 0.00 -1.08 0.00 0.00 175.30 176.57 1jrq h ALA 693 N 2.47 2.01 0.00 7.88 0.00 -1.86 -2.06 119.26 127.70 1jrq h ALA 693 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jrq h ALA 693 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jrq h ALA 693 CO 0.48 -0.03 0.00 0.39 0.00 0.00 0.00 179.25 180.08 1jrq n GLU 694 N -4.51 0.03 -0.36 0.00 4.71 -1.26 -2.37 120.64 116.88 1jrq n GLU 694 Ca 0.00 0.34 0.08 0.00 -0.01 0.00 0.00 57.16 57.57 1jrq n GLU 694 Cb 0.16 -1.50 0.25 0.00 -1.01 0.00 0.00 31.44 29.34 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 -1.44 3.07 -4.53 3.49 1.02 -0.77 -4.59 120.64 116.88 1jrq n GLU 695 Ca 0.02 -2.49 -0.21 0.00 -0.02 0.00 0.00 57.16 54.45 1jrq n GLU 695 Cb 0.07 -1.57 -0.15 0.00 -0.02 0.00 0.00 31.44 29.78 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 -1.48 1.12 -1.02 -0.32 -0.11 -1.00 -2.73 118.94 113.41 1jrq s TRP 696 Ca 0.38 -0.24 0.22 0.00 1.22 0.00 0.00 56.10 57.68 1jrq s TRP 696 Cb 0.23 -0.74 0.93 0.00 -1.50 0.00 0.00 33.47 32.39 1jrq s TRP 696 CO 0.20 -0.05 1.69 -0.35 -4.62 0.00 0.00 176.95 173.82 1jrq n PRO 697 N 2.94 0.01 -4.29 5.86 -0.04 -1.26 -5.00 135.00 133.22 1jrq n PRO 697 Ca -0.15 0.13 -0.18 0.00 -0.04 0.00 0.00 63.50 63.25 1jrq n PRO 697 Cb 0.55 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.98 0.61 -0.21 0.52 2.07 -1.23 -4.61 121.20 115.37 1jrq s ILE 698 Ca 0.11 -0.31 -0.22 0.00 -1.41 0.00 0.00 60.65 58.82 1jrq s ILE 698 Cb 0.14 -0.53 -0.02 0.00 0.13 0.00 0.00 42.46 42.19 1jrq s ILE 698 CO 0.39 0.18 0.71 -0.32 -1.91 0.00 0.00 174.94 173.99 1jrq s MET 699 N -0.03 4.21 0.25 3.50 -2.45 -0.32 -4.55 119.30 119.90 1jrq s MET 699 Ca 0.01 0.75 -0.31 0.00 -1.25 0.00 0.00 55.69 54.89 1jrq s MET 699 Cb -0.05 -3.60 -0.12 0.00 1.25 0.00 0.00 34.83 32.31 1jrq s MET 699 CO -0.00 -0.34 1.66 -2.30 1.05 0.00 0.00 175.02 175.08 1jrq n PRO 700 N 5.37 2.72 -1.63 4.11 -0.02 -1.26 -4.01 135.00 140.29 1jrq n PRO 700 Ca 0.01 0.98 -0.54 0.00 -2.02 0.00 0.00 63.50 61.92 1jrq n PRO 700 Cb 0.49 -2.79 -0.07 0.00 -0.02 0.00 0.00 33.50 31.12 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 3.01 0.10 -4.73 3.45 -1.04 -1.26 -4.82 114.28 108.99 1jrq n THR 701 Ca 0.12 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.78 1jrq n THR 701 Cb 0.36 -0.90 -0.12 0.00 -1.82 0.00 0.00 70.33 67.85 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 1.47 2.70 0.23 -2.82 0.41 0.14 -4.90 118.70 115.93 1jrq s GLU 702 Ca 0.90 -0.61 0.12 0.00 -0.41 0.00 0.00 54.97 54.96 1jrq s GLU 702 Cb -1.02 -2.52 -0.05 0.00 -1.78 0.00 0.00 34.13 28.77 1jrq s GLU 702 CO 0.54 0.62 -0.22 -1.58 -0.49 0.00 0.00 175.26 174.13 1jrq s TRP 703 N -0.71 2.28 0.01 1.61 0.52 -1.26 0.13 118.94 121.51 1jrq s TRP 703 Ca 0.11 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.92 1jrq s TRP 703 Cb -0.11 -1.07 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 1jrq s TRP 703 CO 0.01 0.58 -0.14 0.14 0.02 0.00 0.00 176.95 177.56 1jrq s VAL 704 N -2.02 1.13 0.05 4.03 -7.23 -0.50 -1.17 120.40 114.68 1jrq s VAL 704 Ca 0.24 -0.76 0.08 0.00 -1.81 0.00 0.00 61.98 59.73 1jrq s VAL 704 Cb -0.07 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 1jrq s VAL 704 CO 0.12 0.20 -0.23 -1.00 -0.31 0.00 0.00 175.10 173.87 1jrq s HIS 705 N -0.53 2.02 0.09 2.82 0.09 0.56 -1.76 115.29 118.57 1jrq s HIS 705 Ca 0.04 -0.39 0.02 0.00 -0.00 0.00 0.00 55.06 54.73 1jrq s HIS 705 Cb -0.06 -1.20 -0.04 0.00 -0.00 0.00 0.00 32.58 31.28 1jrq s HIS 705 CO 0.00 0.11 -0.06 0.95 -0.00 0.00 0.00 174.74 175.74 1jrq s THR 706 N -0.81 0.64 0.01 1.30 -4.23 -0.77 -0.20 115.64 111.58 1jrq s THR 706 Ca 0.09 -1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 58.61 1jrq s THR 706 Cb -0.09 -1.56 0.03 0.00 1.34 0.00 0.00 72.50 72.21 1jrq s THR 706 CO 0.02 -0.83 0.34 -0.22 -0.54 0.00 0.00 174.62 173.39 1jrq s LEU 707 N -2.88 0.72 -0.23 4.79 2.96 -0.64 -2.16 118.68 121.24 1jrq s LEU 707 Ca 0.09 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1jrq s LEU 707 Cb 0.04 1.42 0.07 0.00 0.50 0.00 0.00 46.19 48.22 1jrq s LEU 707 CO -0.05 -0.54 0.01 -0.76 -1.32 0.00 0.00 176.35 173.70 1jrq s LEU 708 N -1.65 1.90 -0.06 -0.68 1.43 0.36 -0.89 118.68 119.09 1jrq s LEU 708 Ca -0.10 -1.09 0.03 0.00 -1.03 0.00 0.00 54.13 51.95 1jrq s LEU 708 Cb -0.03 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1jrq s LEU 708 CO 0.01 -0.30 -0.14 -0.54 0.23 0.00 0.00 176.35 175.62 1jrq s LYS 709 N 1.64 2.57 0.22 1.70 1.02 -0.53 -0.70 119.74 125.66 1jrq s LYS 709 Ca -0.01 -0.69 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 1jrq s LYS 709 Cb -0.18 -2.40 -0.10 0.00 -0.52 0.00 0.00 37.83 34.64 1jrq s LYS 709 CO -0.10 0.60 1.41 -1.25 -0.92 0.00 0.00 175.35 175.10 1jrq s PRO 710 N -0.67 4.30 -0.33 -1.68 0.04 -1.26 0.69 135.00 136.09 1jrq s PRO 710 Ca 0.10 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.38 1jrq s PRO 710 Cb -0.11 -3.15 0.10 0.00 0.04 0.00 0.00 34.50 31.38 1jrq s PRO 710 CO 0.01 -0.40 0.09 -0.46 0.04 0.00 0.00 177.00 176.28 1jrq s TRP 711 N 0.24 2.59 -1.79 0.56 -0.11 0.78 -4.70 118.94 116.50 1jrq s TRP 711 Ca 0.60 -2.31 0.00 0.00 1.22 0.00 0.00 56.10 55.61 1jrq s TRP 711 Cb -0.40 -2.24 0.00 0.00 -1.50 0.00 0.00 33.47 29.33 1jrq s TRP 711 CO 0.40 -0.90 0.00 0.09 -4.62 0.00 0.00 176.95 171.91 1jrq n ASN 712 N 4.52 -5.45 0.09 5.86 3.02 -1.26 -1.86 115.26 120.17 1jrq n ASN 712 Ca 0.01 0.16 -0.15 0.00 -0.03 0.00 0.00 54.58 54.58 1jrq n ASN 712 Cb 0.42 -4.55 -0.14 0.00 -0.61 0.00 0.00 39.78 34.90 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 0.42 -0.72 3.10 3.57 -1.84 -3.35 116.94 118.11 1jrq h PHE 713 Ca -0.43 -0.30 -0.54 0.00 3.53 0.00 0.00 57.97 60.22 1jrq h PHE 713 Cb 1.31 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1jrq h PHE 713 CO 0.52 1.26 -0.23 -0.06 -2.23 0.00 0.00 178.31 177.57 1jrq s PHE 714 N -2.66 1.63 -1.37 0.41 0.08 -1.26 -4.86 117.98 109.96 1jrq s PHE 714 Ca -0.04 -0.77 0.13 0.00 0.12 0.00 0.00 56.93 56.36 1jrq s PHE 714 Cb 0.07 -2.05 0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1jrq s PHE 714 CO 0.87 -0.70 0.81 -0.25 -0.10 0.00 0.00 175.22 175.85 1jrq n ASP 715 N -1.93 1.72 -3.66 1.36 8.00 -1.26 -4.80 116.55 115.99 1jrq n ASP 715 Ca 0.05 -1.36 0.01 0.00 0.71 0.00 0.00 54.79 54.20 1jrq n ASP 715 Cb 0.63 0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.97 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 -1.30 0.70 -0.28 -1.24 -1.05 -1.26 -4.97 118.70 109.30 1jrq s GLU 716 Ca 0.13 -0.44 -0.39 0.00 -0.15 0.00 0.00 54.97 54.11 1jrq s GLU 716 Cb 0.10 0.20 -0.14 0.00 -0.44 0.00 0.00 34.13 33.85 1jrq s GLU 716 CO 0.23 -0.33 1.87 2.41 0.95 0.00 0.00 175.26 180.39 1jrq n THR 717 N -0.79 0.31 0.28 1.83 -1.04 -1.26 -4.81 114.28 108.79 1jrq n THR 717 Ca 0.00 -0.10 0.14 0.00 -2.04 0.00 0.00 64.05 62.05 1jrq n THR 717 Cb 0.59 -1.36 0.80 0.00 -1.82 0.00 0.00 70.33 68.54 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 8.57 0.00 -0.02 -2.82 0.11 -1.97 -3.12 132.00 132.75 1jrq h PRO 718 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jrq h PRO 718 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jrq h PRO 718 CO 0.98 0.08 -0.03 0.25 -0.21 0.00 0.00 178.00 179.07 1jrq n THR 719 N -3.63 0.00 -0.17 -1.15 -2.24 -1.26 -4.38 114.28 101.45 1jrq n THR 719 Ca -0.02 -0.35 0.03 0.00 -2.27 0.00 0.00 64.05 61.45 1jrq n THR 719 Cb 0.20 0.93 0.31 0.00 -2.10 0.00 0.00 70.33 69.67 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 3.25 0.73 0.00 3.22 3.38 -1.93 -3.49 115.31 120.47 1jrq h LEU 720 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jrq h LEU 720 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1jrq h LEU 720 CO 0.00 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.65 1jrq n GLY 721 N -1.44 1.84 3.80 0.83 0.00 -1.26 -5.04 105.19 103.91 1jrq n GLY 721 Ca 0.08 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.89 2.73 0.49 4.61 0.00 -1.26 -5.02 121.76 121.42 1jrq s ALA 722 Ca 0.00 0.44 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 1jrq s ALA 722 Cb 0.00 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.79 1jrq s ALA 722 CO 0.00 -0.80 1.00 -0.51 0.00 0.00 0.00 175.76 175.45 1jrq s LEU 723 N -4.41 3.78 0.00 0.00 1.43 -1.26 -5.26 118.68 112.96 1jrq s LEU 723 Ca 0.65 1.76 0.31 0.00 -1.03 0.00 0.00 54.13 55.82 1jrq s LEU 723 Cb -0.17 -4.54 1.76 0.00 0.03 0.00 0.00 46.19 43.27 1jrq s LEU 723 CO 0.35 -0.66 2.14 0.29 0.23 0.00 0.00 176.35 178.71