#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jeq s ASP 36 N 0.00 6.55 0.01 0.55 1.11 -1.26 -0.21 116.67 123.42 1jeq s ASP 36 Ca 0.00 0.66 0.04 0.00 0.18 0.00 0.00 52.55 53.43 1jeq s ASP 36 Cb 0.00 -2.13 -0.03 0.00 1.07 0.00 0.00 42.92 41.82 1jeq s ASP 36 CO 0.00 0.34 -0.11 -0.44 1.18 0.00 0.00 175.17 176.14 1jeq s SER 37 N -1.21 4.31 -0.13 0.27 0.01 0.84 -0.25 113.70 117.54 1jeq s SER 37 Ca 0.21 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.20 1jeq s SER 37 Cb -0.14 -0.91 0.06 0.00 0.21 0.00 0.00 66.02 65.24 1jeq s SER 37 CO 0.10 0.28 0.17 -0.22 0.41 0.00 0.00 173.24 173.99 1jeq s LEU 38 N -1.33 -0.05 -0.15 2.44 2.96 0.27 -2.41 118.68 120.40 1jeq s LEU 38 Ca 0.16 0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.04 1jeq s LEU 38 Cb -0.11 0.27 -0.05 0.00 0.50 0.00 0.00 46.19 46.81 1jeq s LEU 38 CO 0.06 -0.28 0.25 -0.63 -1.32 0.00 0.00 176.35 174.43 1jeq s ILE 39 N 2.29 5.33 -0.38 6.68 1.01 -0.41 -1.42 121.20 134.31 1jeq s ILE 39 Ca 0.04 0.45 -0.12 0.00 0.00 0.00 0.00 60.65 61.02 1jeq s ILE 39 Cb -0.13 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1jeq s ILE 39 CO -0.08 0.45 0.23 -0.36 0.00 0.00 0.00 174.94 175.17 1jeq s PHE 40 N 0.12 3.24 -0.30 3.97 0.40 -0.13 -0.79 117.98 124.48 1jeq s PHE 40 Ca 0.15 -0.79 -0.12 0.00 -0.60 0.00 0.00 56.93 55.58 1jeq s PHE 40 Cb -0.13 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 1jeq s PHE 40 CO 0.03 -0.60 0.21 -1.17 0.70 0.00 0.00 175.22 174.40 1jeq s LEU 41 N 1.60 4.18 -0.19 -0.37 2.96 0.24 -0.32 118.68 126.77 1jeq s LEU 41 Ca 0.03 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1jeq s LEU 41 Cb -0.19 -2.14 -0.00 0.00 0.50 0.00 0.00 46.19 44.36 1jeq s LEU 41 CO 0.08 -0.11 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.19 1jeq s VAL 42 N 1.76 2.87 -0.17 1.68 1.01 0.84 -0.10 120.40 128.29 1jeq s VAL 42 Ca 0.07 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1jeq s VAL 42 Cb -0.16 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1jeq s VAL 42 CO 0.11 0.48 1.52 -0.62 0.00 0.00 0.00 175.10 176.59 1jeq s ASP 43 N 1.21 6.60 -0.49 3.32 -1.08 -0.19 -2.35 116.67 123.69 1jeq s ASP 43 Ca 0.02 1.75 0.03 0.00 -0.52 0.00 0.00 52.55 53.83 1jeq s ASP 43 Cb -0.14 -2.53 0.55 0.00 -1.46 0.00 0.00 42.92 39.34 1jeq s ASP 43 CO -0.05 -1.05 1.84 0.00 0.52 0.00 0.00 175.17 176.44 1jeq n ALA 44 N 7.63 5.64 -1.35 3.66 0.00 -0.61 -4.80 120.51 130.68 1jeq n ALA 44 Ca 0.17 -3.20 -0.30 0.00 0.00 0.00 0.00 53.44 50.10 1jeq n ALA 44 Cb 0.45 -1.38 0.11 0.00 0.00 0.00 0.00 19.45 18.62 1jeq n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1jeq s SER 45 N -1.83 4.17 0.50 0.00 0.01 -1.26 -2.43 113.70 112.85 1jeq s SER 45 Ca 0.58 1.52 0.23 0.00 1.31 0.00 0.00 55.95 59.58 1jeq s SER 45 Cb 0.47 -2.24 1.31 0.00 0.21 0.00 0.00 66.02 65.78 1jeq s SER 45 CO 0.05 -2.20 2.05 0.50 0.41 0.00 0.00 173.24 174.05 1jeq h LYS 46 N -1.25 0.00 -0.63 12.44 3.64 -1.92 -2.54 116.57 126.31 1jeq h LYS 46 Ca -0.47 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 1jeq h LYS 46 Cb 1.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1jeq h LYS 46 CO 0.55 0.14 0.13 0.00 -2.27 0.00 0.00 179.45 178.00 1jeq h ALA 47 N 1.86 1.04 0.00 5.00 0.00 -1.95 -2.52 119.26 122.70 1jeq h ALA 47 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jeq h ALA 47 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jeq h ALA 47 CO 0.02 0.62 0.01 -1.33 0.00 0.00 0.00 179.25 178.57 1jeq n MET 48 N -4.24 0.04 -0.18 0.00 2.81 -0.96 -1.18 117.12 113.42 1jeq n MET 48 Ca 0.04 0.54 0.07 0.00 -1.81 0.00 0.00 57.70 56.54 1jeq n MET 48 Cb 0.26 -1.65 0.16 0.00 -0.71 0.00 0.00 33.22 31.28 1jeq n MET 48 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1jeq n PHE 49 N -1.73 0.47 -3.75 2.03 3.01 -0.95 -1.36 117.46 115.18 1jeq n PHE 49 Ca -0.00 -0.42 -0.37 0.00 1.01 0.00 0.00 57.45 57.67 1jeq n PHE 49 Cb 0.02 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 39.35 1jeq n PHE 49 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1jeq s GLU 50 N -1.02 3.59 0.30 -1.08 2.02 -0.32 -4.93 118.70 117.26 1jeq s GLU 50 Ca 0.26 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.44 1jeq s GLU 50 Cb 0.14 -3.34 -0.10 0.00 0.10 0.00 0.00 34.13 30.94 1jeq s GLU 50 CO 0.19 -0.22 1.12 0.45 0.02 0.00 0.00 175.26 176.82 1jeq s SER 51 N 1.61 7.15 -1.10 -0.19 0.15 -1.26 -4.57 113.70 115.49 1jeq s SER 51 Ca 0.06 2.31 -0.21 0.00 0.70 0.00 0.00 55.95 58.81 1jeq s SER 51 Cb -0.15 -2.63 0.06 0.00 -1.71 0.00 0.00 66.02 61.59 1jeq s SER 51 CO 0.04 -0.23 1.51 -1.10 1.20 0.00 0.00 173.24 174.66 1jeq s GLN 52 N -1.59 3.71 0.00 5.44 1.11 -1.26 -4.72 119.66 122.35 1jeq s GLN 52 Ca 0.46 -1.42 0.00 0.00 0.01 0.00 0.00 55.36 54.41 1jeq s GLN 52 Cb -0.32 -5.38 0.00 0.00 -1.01 0.00 0.00 33.01 26.29 1jeq s GLN 52 CO 0.42 -2.19 0.00 -1.13 0.01 0.00 0.00 175.29 172.39 1jeq n SER 53 N 8.58 0.00 -4.24 5.90 3.41 -1.26 -4.83 113.62 121.17 1jeq n SER 53 Ca 0.37 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.79 1jeq n SER 53 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1jeq n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1jeq s GLU 54 N -1.03 1.58 0.00 4.33 2.02 -1.26 -4.98 118.70 119.36 1jeq s GLU 54 Ca 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 54.97 53.10 1jeq s GLU 54 Cb 0.00 -0.41 0.00 0.00 0.10 0.00 0.00 34.13 33.82 1jeq s GLU 54 CO 0.00 -0.33 1.05 -0.25 0.02 0.00 0.00 175.26 175.75 1jeq n ASP 55 N -0.74 3.12 -4.98 -0.19 8.00 -1.26 -4.77 116.55 115.73 1jeq n ASP 55 Ca -0.01 -2.01 -0.20 0.00 0.71 0.00 0.00 54.79 53.28 1jeq n ASP 55 Cb 0.66 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 1jeq n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1jeq s GLU 56 N 0.01 3.22 0.66 -1.24 2.56 -1.26 -5.12 118.70 117.53 1jeq s GLU 56 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 54.97 53.99 1jeq s GLU 56 Cb 0.00 -2.82 0.01 0.00 2.00 0.00 0.00 34.13 33.32 1jeq s GLU 56 CO 0.00 0.15 1.02 -0.51 -0.56 0.00 0.00 175.26 175.36 1jeq s LEU 57 N -4.15 3.03 0.47 2.70 1.43 -1.26 -4.83 118.68 116.08 1jeq s LEU 57 Ca 0.42 0.97 -0.21 0.00 -1.03 0.00 0.00 54.13 54.28 1jeq s LEU 57 Cb -0.09 -3.78 -0.08 0.00 0.03 0.00 0.00 46.19 42.26 1jeq s LEU 57 CO 0.31 -1.23 1.07 0.42 0.23 0.00 0.00 176.35 177.15 1jeq s THR 58 N -3.22 3.60 0.46 5.49 -4.23 -1.26 -4.68 115.64 111.81 1jeq s THR 58 Ca 0.56 1.08 0.22 0.00 -1.18 0.00 0.00 61.69 62.37 1jeq s THR 58 Cb -0.11 -3.48 0.41 0.00 1.34 0.00 0.00 72.50 70.66 1jeq s THR 58 CO 0.49 -0.14 1.88 1.55 -0.54 0.00 0.00 174.62 177.87 1jeq h PRO 59 N 1.81 0.26 0.20 3.99 0.13 -1.80 -0.04 132.00 136.54 1jeq h PRO 59 Ca -0.49 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1jeq h PRO 59 Cb 1.23 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1jeq h PRO 59 CO 0.60 0.17 -0.10 0.35 -0.23 0.00 0.00 178.00 178.79 1jeq h PHE 60 N 0.26 -0.25 -0.40 1.56 3.57 -1.57 -0.76 116.94 119.34 1jeq h PHE 60 Ca 0.43 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.99 1jeq h PHE 60 Cb 1.27 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.04 1jeq h PHE 60 CO -0.00 -0.05 0.07 0.22 -2.23 0.00 0.00 178.31 176.32 1jeq h ASP 61 N -0.41 -0.01 0.14 0.41 3.58 -1.32 0.91 116.42 119.73 1jeq h ASP 61 Ca -0.03 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1jeq h ASP 61 Cb 0.32 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 1jeq h ASP 61 CO 0.05 0.03 -0.40 0.24 -2.88 0.00 0.00 179.24 176.28 1jeq h MET 62 N 0.20 -0.62 -0.18 0.28 2.86 -1.05 -1.26 114.93 115.16 1jeq h MET 62 Ca 0.20 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.91 1jeq h MET 62 Cb 0.24 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 1jeq h MET 62 CO -0.26 -0.42 -0.53 0.77 1.06 0.00 0.00 176.91 177.53 1jeq h SER 63 N -0.65 -1.69 -0.40 1.22 0.02 -0.49 -0.50 113.55 111.05 1jeq h SER 63 Ca 0.02 0.20 0.08 0.00 -0.84 0.00 0.00 61.79 61.26 1jeq h SER 63 Cb 0.67 0.67 -0.09 0.00 0.14 0.00 0.00 62.40 63.78 1jeq h SER 63 CO -0.22 -0.46 -0.26 0.40 -1.14 0.00 0.00 176.83 175.15 1jeq h ILE 64 N -0.53 0.31 -0.14 3.27 1.08 -0.58 -1.57 117.51 119.34 1jeq h ILE 64 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 1jeq h ILE 64 Cb 0.64 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1jeq h ILE 64 CO -0.45 0.00 0.09 1.56 -0.69 0.00 0.00 178.15 178.66 1jeq h GLN 65 N -0.19 0.19 0.00 2.37 4.20 -0.59 0.08 115.11 121.17 1jeq h GLN 65 Ca 0.19 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1jeq h GLN 65 Cb 0.49 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1jeq h GLN 65 CO -0.52 0.13 -0.13 0.00 -0.67 0.00 0.00 178.83 177.64 1jeq h ILE 67 N 0.00 1.48 -0.19 0.00 2.04 -0.46 -1.96 117.51 118.42 1jeq h ILE 67 Ca -0.00 -2.37 0.03 0.00 1.00 0.00 0.00 64.86 63.52 1jeq h ILE 67 Cb 0.85 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 1jeq h ILE 67 CO 0.02 0.68 0.13 1.56 0.00 0.00 0.00 178.15 180.53 1jeq h GLN 68 N -0.27 0.13 0.22 2.37 4.20 -1.24 -0.20 115.11 120.32 1jeq h GLN 68 Ca -0.12 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1jeq h GLN 68 Cb 1.52 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.27 1jeq h GLN 68 CO 0.14 0.08 -0.11 0.77 -0.67 0.00 0.00 178.83 179.05 1jeq h SER 69 N 0.13 -0.25 -0.56 1.46 0.02 -1.37 -0.42 113.55 112.56 1jeq h SER 69 Ca 0.08 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1jeq h SER 69 Cb 0.16 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1jeq h SER 69 CO -0.01 0.12 0.37 0.58 -1.14 0.00 0.00 176.83 176.75 1jeq h VAL 70 N -0.65 1.14 0.43 2.27 2.07 -0.63 0.69 116.25 121.56 1jeq h VAL 70 Ca -0.03 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1jeq h VAL 70 Cb 0.46 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1jeq h VAL 70 CO 0.05 0.14 -0.21 1.88 0.02 0.00 0.00 177.57 179.45 1jeq h TYR 71 N 0.75 -0.54 -0.01 1.57 -1.99 -0.95 -1.36 116.97 114.44 1jeq h TYR 71 Ca 0.21 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.89 1jeq h TYR 71 Cb -0.07 0.18 -0.00 0.00 2.00 0.00 0.00 36.73 38.83 1jeq h TYR 71 CO -0.00 -0.29 -0.13 0.82 -0.00 0.00 0.00 178.16 178.56 1jeq h ILE 72 N -0.67 1.10 0.07 -2.88 2.04 -0.19 -2.03 117.51 114.95 1jeq h ILE 72 Ca -0.06 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1jeq h ILE 72 Cb 0.49 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1jeq h ILE 72 CO 0.10 0.14 -0.03 0.28 0.00 0.00 0.00 178.15 178.63 1jeq h SER 73 N 0.02 -0.08 -0.79 1.72 0.02 0.75 -1.76 113.55 113.42 1jeq h SER 73 Ca 0.00 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1jeq h SER 73 Cb 0.25 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 1jeq h SER 73 CO 0.02 0.11 0.52 0.11 -1.14 0.00 0.00 176.83 176.45 1jeq h LYS 74 N -0.27 0.88 -0.38 3.45 1.79 -0.82 -1.64 116.57 119.58 1jeq h LYS 74 Ca -0.01 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.26 1jeq h LYS 74 Cb 0.24 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1jeq h LYS 74 CO 0.02 0.58 -0.33 0.82 -1.08 0.00 0.00 179.45 179.46 1jeq h ILE 75 N 0.91 1.28 -0.29 1.86 2.04 -1.19 0.31 117.51 122.42 1jeq h ILE 75 Ca 0.33 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1jeq h ILE 75 Cb 0.14 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1jeq h ILE 75 CO -0.11 0.50 0.12 0.40 0.00 0.00 0.00 178.15 179.07 1jeq h ILE 76 N 0.71 1.17 -0.08 -0.67 1.08 -0.41 -1.70 117.51 117.61 1jeq h ILE 76 Ca 0.07 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1jeq h ILE 76 Cb 0.89 0.97 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 1jeq h ILE 76 CO 0.08 0.18 0.00 -1.54 -0.69 0.00 0.00 178.15 176.18 1jeq n SER 77 N -4.76 0.58 -2.50 1.72 3.41 -0.83 -4.85 113.62 106.39 1jeq n SER 77 Ca -0.02 -2.01 -0.10 0.00 -0.26 0.00 0.00 58.87 56.48 1jeq n SER 77 Cb 0.12 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1jeq n SER 77 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jeq n SER 78 N -0.22 -3.17 -4.76 4.04 3.41 -0.64 -4.89 113.62 107.38 1jeq n SER 78 Ca 0.03 0.24 -0.38 0.00 -0.26 0.00 0.00 58.87 58.50 1jeq n SER 78 Cb 0.10 -2.73 0.00 0.00 -0.26 0.00 0.00 64.21 61.33 1jeq n SER 78 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jeq s ASP 79 N -2.05 6.00 -0.17 4.04 -1.08 0.05 -4.94 116.67 118.52 1jeq s ASP 79 Ca 0.02 2.50 0.11 0.00 -0.52 0.00 0.00 52.55 54.66 1jeq s ASP 79 Cb -0.01 -2.62 0.63 0.00 -1.46 0.00 0.00 42.92 39.46 1jeq s ASP 79 CO 0.02 -1.05 1.47 0.54 0.52 0.00 0.00 175.17 176.67 1jeq n ARG 80 N -0.45 3.88 -1.61 4.34 1.74 -1.26 -4.77 116.66 118.52 1jeq n ARG 80 Ca 0.07 -2.42 -0.32 0.00 -0.77 0.00 0.00 57.85 54.41 1jeq n ARG 80 Cb 0.46 -2.04 0.06 0.00 -1.02 0.00 0.00 32.46 29.92 1jeq n ARG 80 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jeq s ASP 81 N -0.64 5.00 -0.14 0.55 1.01 -1.26 -4.74 116.67 116.46 1jeq s ASP 81 Ca 0.42 1.89 -0.05 0.00 0.71 0.00 0.00 52.55 55.52 1jeq s ASP 81 Cb 0.31 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 1jeq s ASP 81 CO 0.14 -1.70 0.06 -0.76 0.21 0.00 0.00 175.17 173.12 1jeq s LEU 82 N -5.22 3.88 0.08 1.23 1.43 0.65 -4.48 118.68 116.25 1jeq s LEU 82 Ca 0.64 0.20 0.07 0.00 -1.03 0.00 0.00 54.13 54.01 1jeq s LEU 82 Cb -0.18 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1jeq s LEU 82 CO 0.47 0.30 -0.19 -0.76 0.23 0.00 0.00 176.35 176.40 1jeq s LEU 83 N -0.38 2.27 0.08 1.79 1.43 0.59 -0.56 118.68 123.89 1jeq s LEU 83 Ca 0.09 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1jeq s LEU 83 Cb -0.12 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 1jeq s LEU 83 CO 0.02 0.03 -0.05 0.00 0.23 0.00 0.00 176.35 176.58 1jeq s ALA 84 N -1.12 0.78 -0.13 4.21 0.00 -0.51 -1.87 121.76 123.12 1jeq s ALA 84 Ca 0.04 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1jeq s ALA 84 Cb -0.10 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.28 1jeq s ALA 84 CO 0.03 -0.30 -0.03 0.08 0.00 0.00 0.00 175.76 175.54 1jeq s VAL 85 N -3.76 0.80 -0.06 0.00 1.01 0.34 -0.96 120.40 117.77 1jeq s VAL 85 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1jeq s VAL 85 Cb 0.06 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1jeq s VAL 85 CO -0.07 0.20 -0.03 -0.69 0.00 0.00 0.00 175.10 174.51 1jeq s VAL 86 N 1.78 0.49 0.04 2.92 1.01 0.56 -1.65 120.40 125.56 1jeq s VAL 86 Ca 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.00 1jeq s VAL 86 Cb -0.14 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 1jeq s VAL 86 CO -0.07 0.24 -0.02 -0.36 0.00 0.00 0.00 175.10 174.89 1jeq s PHE 87 N 1.30 2.99 0.22 5.22 0.40 -0.59 -0.11 117.98 127.40 1jeq s PHE 87 Ca -0.05 0.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1jeq s PHE 87 Cb -0.14 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.75 1jeq s PHE 87 CO -0.02 0.45 0.01 1.52 0.70 0.00 0.00 175.22 177.88 1jeq s TYR 88 N -1.17 1.49 -0.17 0.36 -0.85 -0.99 -1.11 117.35 114.91 1jeq s TYR 88 Ca 0.22 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 55.79 1jeq s TYR 88 Cb -0.11 -0.86 0.00 0.00 0.38 0.00 0.00 41.96 41.36 1jeq s TYR 88 CO 0.13 -0.11 0.00 0.41 -1.52 0.00 0.00 175.55 174.46 1jeq n GLY 89 N -0.39 0.53 3.96 5.49 0.00 -0.67 -1.57 105.19 112.53 1jeq n GLY 89 Ca -0.05 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1jeq n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jeq s THR 90 N -1.99 2.33 -0.15 2.61 -4.23 -0.84 -2.23 115.64 111.13 1jeq s THR 90 Ca 0.00 -0.43 -0.20 0.00 -1.18 0.00 0.00 61.69 59.89 1jeq s THR 90 Cb 0.00 -2.90 -0.24 0.00 1.34 0.00 0.00 72.50 70.70 1jeq s THR 90 CO 0.00 0.00 0.43 -0.08 -0.54 0.00 0.00 174.62 174.43 1jeq h GLU 91 N -0.48 0.10 -7.50 3.99 4.81 0.18 -3.40 114.58 112.29 1jeq h GLU 91 Ca -0.42 -0.18 -0.46 0.00 -0.13 0.00 0.00 59.36 58.18 1jeq h GLU 91 Cb 1.29 0.07 0.12 0.00 0.63 0.00 0.00 28.75 30.86 1jeq h GLU 91 CO 0.52 1.08 0.29 0.15 -0.73 0.00 0.00 179.01 180.33 1jeq s LYS 92 N -2.39 1.38 0.11 1.92 1.02 -1.26 -4.60 119.74 115.92 1jeq s LYS 92 Ca -0.24 -0.52 -0.07 0.00 0.02 0.00 0.00 55.97 55.16 1jeq s LYS 92 Cb 0.04 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 1jeq s LYS 92 CO 0.68 -1.82 0.18 0.16 -0.92 0.00 0.00 175.35 173.63 1jeq s ASP 93 N -4.74 0.16 -0.34 2.83 -4.77 -1.26 -4.15 116.67 104.41 1jeq s ASP 93 Ca 0.68 -0.83 -0.03 0.00 -3.30 0.00 0.00 52.55 49.07 1jeq s ASP 93 Cb -0.06 0.35 0.19 0.00 -1.09 0.00 0.00 42.92 42.30 1jeq s ASP 93 CO 0.48 -0.77 0.87 -0.75 0.70 0.00 0.00 175.17 175.71 1jeq s LYS 94 N -3.93 0.39 -0.06 2.11 2.20 0.13 -4.89 119.74 115.69 1jeq s LYS 94 Ca 0.11 0.02 -0.22 0.00 -0.36 0.00 0.00 55.97 55.52 1jeq s LYS 94 Cb 0.05 0.08 0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1jeq s LYS 94 CO -0.06 -0.61 0.50 0.54 -0.36 0.00 0.00 175.35 175.36 1jeq s ASN 95 N 2.27 -0.44 0.20 1.43 2.20 -1.26 -0.17 114.94 119.17 1jeq s ASN 95 Ca 0.17 0.51 0.03 0.00 -0.94 0.00 0.00 52.86 52.63 1jeq s ASN 95 Cb -0.02 0.54 0.52 0.00 -2.00 0.00 0.00 41.25 40.29 1jeq s ASN 95 CO -0.16 -0.47 0.97 -1.54 -2.94 0.00 0.00 177.10 172.96 1jeq n SER 96 N 1.39 -0.03 -2.15 3.54 3.41 -1.26 -0.77 113.62 117.75 1jeq n SER 96 Ca -0.19 1.05 -0.29 0.00 -0.26 0.00 0.00 58.87 59.18 1jeq n SER 96 Cb 0.56 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 1jeq n SER 96 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1jeq n VAL 97 N -4.75 3.18 -3.36 -3.33 0.24 -1.26 -4.95 118.33 104.11 1jeq n VAL 97 Ca 0.16 -3.30 -0.23 0.00 -2.04 0.00 0.00 64.34 58.92 1jeq n VAL 97 Cb 0.52 -1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 31.78 1jeq n VAL 97 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1jeq n ASN 98 N -0.87 -1.26 -4.71 -1.34 4.13 0.05 -4.88 115.26 106.37 1jeq n ASN 98 Ca 0.55 -0.53 -0.32 0.00 1.68 0.00 0.00 54.58 55.96 1jeq n ASN 98 Cb 0.84 -1.14 0.12 0.00 -1.54 0.00 0.00 39.78 38.06 1jeq n ASN 98 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1jeq s PHE 99 N -2.43 2.00 0.10 3.10 2.99 -1.26 -4.97 117.98 117.51 1jeq s PHE 99 Ca 0.45 1.68 -0.09 0.00 0.00 0.00 0.00 56.93 58.98 1jeq s PHE 99 Cb -0.26 -3.30 -0.06 0.00 0.00 0.00 0.00 43.02 39.40 1jeq s PHE 99 CO 0.55 -2.47 0.40 0.15 -0.00 0.00 0.00 175.22 173.86 1jeq s LYS 100 N -4.50 3.73 0.00 0.44 1.02 -1.26 -4.29 119.74 114.88 1jeq s LYS 100 Ca 0.67 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.78 1jeq s LYS 100 Cb -0.23 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1jeq s LYS 100 CO 0.54 0.53 0.00 0.09 -0.92 0.00 0.00 175.35 175.58 1jeq n ASN 101 N 0.66 -3.01 -4.31 2.83 4.13 -1.26 -4.85 115.26 109.45 1jeq n ASN 101 Ca -0.06 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.85 1jeq n ASN 101 Cb 0.52 -1.63 -0.14 0.00 -1.54 0.00 0.00 39.78 36.99 1jeq n ASN 101 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1jeq s ILE 102 N -1.89 3.23 -0.22 2.41 1.01 -1.26 -1.67 121.20 122.82 1jeq s ILE 102 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.09 1jeq s ILE 102 Cb 0.00 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1jeq s ILE 102 CO 0.00 0.45 -0.11 -0.47 0.00 0.00 0.00 174.94 174.81 1jeq s TYR 103 N 1.29 2.94 -0.61 3.97 5.04 -0.27 0.19 117.35 129.90 1jeq s TYR 103 Ca 0.03 -1.41 -0.18 0.00 -2.44 0.00 0.00 57.07 53.07 1jeq s TYR 103 Cb -0.14 -2.02 0.12 0.00 0.35 0.00 0.00 41.96 40.26 1jeq s TYR 103 CO -0.03 -0.70 0.70 0.08 -1.34 0.00 0.00 175.55 174.25 1jeq s VAL 104 N 1.36 4.92 -0.01 3.14 1.01 0.76 -1.55 120.40 130.02 1jeq s VAL 104 Ca 0.03 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.58 1jeq s VAL 104 Cb -0.15 -4.48 -0.20 0.00 0.00 0.00 0.00 36.38 31.55 1jeq s VAL 104 CO -0.07 -1.10 1.31 0.25 0.00 0.00 0.00 175.10 175.48 1jeq h LEU 105 N 9.71 0.01 -7.67 3.92 5.85 -1.62 -3.45 115.31 122.07 1jeq h LEU 105 Ca -0.25 -0.45 -0.38 0.00 0.84 0.00 0.00 57.88 57.64 1jeq h LEU 105 Cb 1.08 -0.00 -0.34 0.00 0.37 0.00 0.00 40.66 41.77 1jeq h LEU 105 CO 1.07 0.46 -0.76 -1.10 -0.34 0.00 0.00 178.44 177.77 1jeq s GLN 106 N -4.41 0.59 0.66 1.25 -0.21 -0.96 -4.97 119.66 111.61 1jeq s GLN 106 Ca -0.16 -0.01 -0.08 0.00 0.02 0.00 0.00 55.36 55.13 1jeq s GLN 106 Cb 0.02 -0.69 0.03 0.00 1.00 0.00 0.00 33.01 33.37 1jeq s GLN 106 CO 0.68 -0.12 1.00 -1.21 -2.12 0.00 0.00 175.29 173.52 1jeq s GLU 107 N 1.02 2.68 -0.05 2.91 2.02 -1.26 -0.51 118.70 125.51 1jeq s GLU 107 Ca -0.10 0.08 -0.35 0.00 0.02 0.00 0.00 54.97 54.62 1jeq s GLU 107 Cb -0.14 -2.16 -0.13 0.00 0.10 0.00 0.00 34.13 31.80 1jeq s GLU 107 CO -0.01 -0.97 1.75 1.28 0.02 0.00 0.00 175.26 177.34 1jeq n LEU 108 N -2.82 3.08 -3.80 1.80 4.77 -1.25 -4.44 117.00 114.35 1jeq n LEU 108 Ca 0.06 1.02 -0.01 0.00 -0.03 0.00 0.00 56.01 57.06 1jeq n LEU 108 Cb 0.58 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1jeq n LEU 108 CO 0.54 -0.23 0.92 -0.62 -1.33 0.00 0.00 177.39 176.67 1jeq s ASP 109 N 3.02 -0.05 0.50 -1.43 2.15 -0.78 -4.86 116.67 115.21 1jeq s ASP 109 Ca 0.90 -0.36 -0.18 0.00 0.43 0.00 0.00 52.55 53.33 1jeq s ASP 109 Cb -0.76 0.33 -0.08 0.00 -0.30 0.00 0.00 42.92 42.10 1jeq s ASP 109 CO 0.50 -0.63 1.01 0.20 -0.17 0.00 0.00 175.17 176.08 1jeq s ASN 110 N -3.26 6.42 0.28 -0.34 0.01 -1.26 -0.30 114.94 116.49 1jeq s ASN 110 Ca 0.19 1.76 -0.29 0.00 -0.71 0.00 0.00 52.86 53.81 1jeq s ASN 110 Cb 0.00 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 39.03 1jeq s ASN 110 CO 0.01 -0.73 1.24 -2.16 -1.51 0.00 0.00 177.10 173.95 1jeq s PRO 111 N -3.61 4.46 0.12 -0.60 0.04 -1.26 -4.91 135.00 129.23 1jeq s PRO 111 Ca 0.63 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 1jeq s PRO 111 Cb -0.13 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1jeq s PRO 111 CO 0.25 -0.07 0.12 0.20 0.04 0.00 0.00 177.00 177.54 1jeq s GLY 112 N -0.39 0.66 0.17 0.56 0.00 -1.26 -4.98 107.32 102.07 1jeq s GLY 112 Ca 0.49 -1.17 -0.19 0.00 0.00 0.00 0.00 44.72 43.85 1jeq s GLY 112 CO 0.45 -1.15 1.64 0.00 0.00 0.00 0.00 173.10 174.04 1jeq h ALA 113 N 2.81 0.10 -0.47 3.20 0.00 -1.96 -1.69 119.26 121.25 1jeq h ALA 113 Ca -0.34 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1jeq h ALA 113 Cb 1.20 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 1jeq h ALA 113 CO 0.57 -0.56 0.20 0.87 0.00 0.00 0.00 179.25 180.33 1jeq h LYS 114 N -0.12 0.66 -0.34 0.00 1.57 -1.97 -0.89 116.57 115.49 1jeq h LYS 114 Ca 0.19 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1jeq h LYS 114 Cb 0.41 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1jeq h LYS 114 CO -0.45 0.54 0.07 0.00 -0.57 0.00 0.00 179.45 179.04 1jeq h ARG 115 N 0.66 0.55 -0.31 3.15 3.08 -1.73 -0.08 114.38 119.70 1jeq h ARG 115 Ca 0.16 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1jeq h ARG 115 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1jeq h ARG 115 CO -0.02 0.62 0.15 0.82 -1.07 0.00 0.00 179.97 180.47 1jeq h ILE 116 N 0.39 1.16 -0.50 2.04 2.04 -1.01 -1.16 117.51 120.47 1jeq h ILE 116 Ca 0.10 -0.47 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1jeq h ILE 116 Cb 0.32 0.89 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1jeq h ILE 116 CO 0.00 0.17 0.09 0.25 0.00 0.00 0.00 178.15 178.66 1jeq h LEU 117 N 0.37 -0.01 0.42 1.44 5.85 -1.00 0.13 115.31 122.50 1jeq h LEU 117 Ca 0.11 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1jeq h LEU 117 Cb 0.13 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1jeq h LEU 117 CO -0.01 0.02 -0.39 -0.08 -0.34 0.00 0.00 178.44 177.64 1jeq h GLU 118 N 0.23 -0.79 -0.90 1.25 4.81 -0.54 -2.23 114.58 116.41 1jeq h GLU 118 Ca 0.25 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.65 1jeq h GLU 118 Cb 0.34 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.81 1jeq h GLU 118 CO -0.33 -0.52 0.52 -0.07 -0.73 0.00 0.00 179.01 177.88 1jeq h LEU 119 N -0.82 0.73 -2.09 1.64 3.38 -0.73 -0.01 115.31 117.41 1jeq h LEU 119 Ca -0.04 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.08 1jeq h LEU 119 Cb 0.72 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1jeq h LEU 119 CO -0.05 0.37 0.26 -0.78 0.09 0.00 0.00 178.44 178.34 1jeq h ASP 120 N 0.81 0.00 0.18 -0.43 3.58 -0.18 -1.25 116.42 119.13 1jeq h ASP 120 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 1jeq h ASP 120 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1jeq h ASP 120 CO -0.29 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.07 1jeq n GLN 121 N -4.09 0.17 -0.09 0.28 1.13 -0.02 -1.79 117.38 112.98 1jeq n GLN 121 Ca 0.04 0.17 0.04 0.00 -1.94 0.00 0.00 57.00 55.31 1jeq n GLN 121 Cb 0.43 -1.50 0.09 0.00 0.11 0.00 0.00 30.24 29.36 1jeq n GLN 121 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1jeq n PHE 122 N -1.26 0.23 -2.90 1.08 0.99 -0.47 -4.32 117.46 110.81 1jeq n PHE 122 Ca 0.05 -0.33 -0.30 0.00 -0.00 0.00 0.00 57.45 56.88 1jeq n PHE 122 Cb 0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 39.48 38.51 1jeq n PHE 122 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1jeq s LYS 123 N -0.90 3.76 0.20 -1.08 2.20 -0.74 -3.91 119.74 119.28 1jeq s LYS 123 Ca 0.15 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 1jeq s LYS 123 Cb 0.08 -2.42 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1jeq s LYS 123 CO 0.12 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1jeq n GLY 124 N -1.26 -2.03 0.19 5.54 0.00 -1.26 -2.21 105.19 104.15 1jeq n GLY 124 Ca 0.02 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1jeq n GLY 124 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jeq h GLN 125 N -0.64 0.58 -0.73 1.61 4.15 -2.00 -1.84 115.11 116.25 1jeq h GLN 125 Ca -0.02 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.26 1jeq h GLN 125 Cb 0.62 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 1jeq h GLN 125 CO 0.02 0.66 0.49 1.96 -1.93 0.00 0.00 178.83 180.02 1jeq h GLN 126 N 0.42 0.94 0.00 1.69 4.20 -1.97 -0.58 115.11 119.81 1jeq h GLN 126 Ca 0.11 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1jeq h GLN 126 Cb 0.36 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1jeq h GLN 126 CO 0.01 0.62 -0.21 0.78 -0.67 0.00 0.00 178.83 179.36 1jeq h GLY 127 N 0.97 0.00 0.96 3.46 0.00 -1.19 -2.60 103.07 104.67 1jeq h GLY 127 Ca 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 1jeq h GLY 127 CO -0.07 0.00 -0.06 -1.61 0.00 0.00 0.00 176.54 174.80 1jeq h GLN 128 N 0.00 0.73 -0.05 4.80 4.15 -0.25 -1.30 115.11 123.18 1jeq h GLN 128 Ca -0.00 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 1jeq h GLN 128 Cb 0.77 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.41 1jeq h GLN 128 CO 0.03 0.85 0.03 0.87 -1.93 0.00 0.00 178.83 178.68 1jeq h LYS 129 N 0.54 0.07 -0.85 1.69 1.57 -1.26 0.92 116.57 119.26 1jeq h LYS 129 Ca 0.10 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 1jeq h LYS 129 Cb 0.57 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.77 1jeq h LYS 129 CO 0.03 0.09 0.42 0.00 -0.57 0.00 0.00 179.45 179.43 1jeq h ARG 130 N 0.02 0.57 0.01 3.15 3.08 -1.21 0.21 114.38 120.21 1jeq h ARG 130 Ca 0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1jeq h ARG 130 Cb 0.04 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1jeq h ARG 130 CO -0.00 0.38 -0.00 0.35 -1.07 0.00 0.00 179.97 179.62 1jeq h PHE 131 N 0.59 -0.01 -0.18 3.04 3.57 -0.69 -2.57 116.94 120.69 1jeq h PHE 131 Ca 0.47 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 62.02 1jeq h PHE 131 Cb 0.70 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 1jeq h PHE 131 CO -0.10 0.37 -0.41 1.96 -2.23 0.00 0.00 178.31 177.90 1jeq h GLN 132 N -0.38 -0.43 -0.22 1.11 1.08 0.29 0.04 115.11 116.59 1jeq h GLN 132 Ca -0.00 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1jeq h GLN 132 Cb 0.38 0.10 -0.07 0.00 -0.05 0.00 0.00 27.48 27.84 1jeq h GLN 132 CO 0.00 -0.29 -0.24 -0.44 -0.95 0.00 0.00 178.83 176.91 1jeq h ASP 133 N -0.45 -0.78 -0.12 1.46 3.32 -0.66 0.49 116.42 119.69 1jeq h ASP 133 Ca 0.09 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1jeq h ASP 133 Cb 0.61 0.36 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1jeq h ASP 133 CO -0.43 -0.28 0.06 -0.03 -1.72 0.00 0.00 179.24 176.84 1jeq h MET 134 N -0.26 0.17 -2.01 3.56 4.05 -1.04 -3.35 114.93 116.05 1jeq h MET 134 Ca 0.13 -0.03 -0.51 0.00 -0.28 0.00 0.00 59.70 59.01 1jeq h MET 134 Cb 0.46 -0.03 -0.41 0.00 -0.80 0.00 0.00 31.60 30.82 1jeq h MET 134 CO -0.37 0.24 -1.01 -1.33 0.23 0.00 0.00 176.91 174.67 1jeq n MET 135 N -4.93 1.78 -0.10 0.39 2.81 -0.04 -4.74 117.12 112.30 1jeq n MET 135 Ca -0.05 -3.88 -0.04 0.00 -1.81 0.00 0.00 57.70 51.92 1jeq n MET 135 Cb 0.10 -1.86 -0.01 0.00 -0.71 0.00 0.00 33.22 30.73 1jeq n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jeq n GLY 136 N 0.07 -0.01 0.00 3.03 0.00 0.17 -3.45 105.19 105.00 1jeq n GLY 136 Ca 0.26 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1jeq n GLY 136 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jeq n HIS 137 N 0.14 -0.23 -3.11 1.61 1.44 -1.26 0.18 115.22 113.99 1jeq n HIS 137 Ca 0.01 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.40 1jeq n HIS 137 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 1jeq n HIS 137 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jeq n GLY 138 N 2.97 0.09 3.11 -1.39 0.00 -1.02 -4.40 105.19 104.54 1jeq n GLY 138 Ca 0.00 0.94 -0.08 0.00 0.00 0.00 0.00 46.02 46.88 1jeq n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jeq s SER 139 N -1.29 0.33 0.85 1.61 0.01 -0.95 -4.93 113.70 109.33 1jeq s SER 139 Ca 0.30 -0.79 -0.11 0.00 1.31 0.00 0.00 55.95 56.67 1jeq s SER 139 Cb -0.03 0.22 0.11 0.00 0.21 0.00 0.00 66.02 66.53 1jeq s SER 139 CO 0.73 -0.57 1.11 -0.62 0.41 0.00 0.00 173.24 174.29 1jeq s ASP 140 N -2.60 3.66 -0.11 2.44 2.15 -1.26 -4.68 116.67 116.27 1jeq s ASP 140 Ca 0.02 1.91 -0.33 0.00 0.43 0.00 0.00 52.55 54.58 1jeq s ASP 140 Cb 0.04 -2.49 0.15 0.00 -0.30 0.00 0.00 42.92 40.31 1jeq s ASP 140 CO -0.08 -2.59 1.41 -0.72 -0.17 0.00 0.00 175.17 173.02 1jeq s TYR 141 N -2.79 -0.01 -0.06 -5.34 -0.85 -1.26 -4.66 117.35 102.37 1jeq s TYR 141 Ca 0.64 -0.01 -0.03 0.00 -0.52 0.00 0.00 57.07 57.15 1jeq s TYR 141 Cb -0.20 0.51 0.04 0.00 0.38 0.00 0.00 41.96 42.69 1jeq s TYR 141 CO 0.57 -0.06 0.13 -1.54 -1.52 0.00 0.00 175.55 173.14 1jeq s SER 142 N -2.84 0.18 0.35 -0.18 1.04 -1.26 -5.06 113.70 105.93 1jeq s SER 142 Ca 0.14 0.27 0.10 0.00 0.48 0.00 0.00 55.95 56.94 1jeq s SER 142 Cb 0.06 0.17 0.86 0.00 0.10 0.00 0.00 66.02 67.20 1jeq s SER 142 CO -0.06 -0.18 1.83 -0.07 0.98 0.00 0.00 173.24 175.75 1jeq h LEU 143 N 7.58 0.64 0.02 2.42 3.38 -1.98 -2.21 115.31 125.17 1jeq h LEU 143 Ca -0.35 0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1jeq h LEU 143 Cb 1.13 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1jeq h LEU 143 CO 0.35 0.27 -0.27 0.77 0.09 0.00 0.00 178.44 179.65 1jeq h SER 144 N 0.65 -0.80 -0.99 -0.43 4.64 -1.86 2.26 113.55 117.02 1jeq h SER 144 Ca 0.51 0.11 0.11 0.00 -0.47 0.00 0.00 61.79 62.04 1jeq h SER 144 Cb 0.92 0.32 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 1jeq h SER 144 CO -0.26 -0.34 0.62 -0.33 -0.87 0.00 0.00 176.83 175.64 1jeq h GLU 145 N -0.43 0.98 -0.18 4.77 5.08 -1.81 0.14 114.58 123.13 1jeq h GLU 145 Ca 0.06 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1jeq h GLU 145 Cb 0.50 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1jeq h GLU 145 CO -0.22 0.65 -0.18 0.28 -1.00 0.00 0.00 179.01 178.54 1jeq h VAL 146 N 1.01 1.33 -0.59 3.13 2.07 -0.87 -2.41 116.25 119.92 1jeq h VAL 146 Ca 0.48 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1jeq h VAL 146 Cb 0.42 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1jeq h VAL 146 CO -0.25 0.40 0.39 -0.07 0.02 0.00 0.00 177.57 178.06 1jeq h LEU 147 N 0.10 0.60 -0.03 2.57 3.38 0.48 -2.62 115.31 119.79 1jeq h LEU 147 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jeq h LEU 147 Cb 0.71 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1jeq h LEU 147 CO 0.04 0.42 0.00 -0.25 0.09 0.00 0.00 178.44 178.74 1jeq h TRP 148 N 0.70 0.05 -0.75 1.13 7.01 -0.62 -1.10 115.95 122.37 1jeq h TRP 148 Ca 0.23 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.33 1jeq h TRP 148 Cb 0.06 -0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.03 1jeq h TRP 148 CO -0.00 0.30 0.38 0.28 -2.79 0.00 0.00 178.44 176.62 1jeq h VAL 149 N -0.22 0.83 -0.21 2.65 2.07 -1.09 0.86 116.25 121.14 1jeq h VAL 149 Ca 0.01 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1jeq h VAL 149 Cb 0.28 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1jeq h VAL 149 CO 0.00 0.11 -0.18 0.00 0.02 0.00 0.00 177.57 177.53 1jeq h ALA 151 N 0.66 1.98 -0.02 0.00 0.00 -0.38 -1.67 119.26 119.84 1jeq h ALA 151 Ca 0.04 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1jeq h ALA 151 Cb 0.71 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1jeq h ALA 151 CO 0.05 0.00 -0.97 -0.97 0.00 0.00 0.00 179.25 177.36 1jeq h ASN 152 N 0.00 0.77 -0.09 0.00 -0.73 0.15 -3.15 115.58 112.53 1jeq h ASN 152 Ca -0.00 -0.60 0.03 0.00 1.87 0.00 0.00 56.30 57.59 1jeq h ASN 152 Cb 0.01 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.36 1jeq h ASN 152 CO 0.00 1.40 0.10 -0.07 -0.37 0.00 0.00 177.43 178.49 1jeq h LEU 153 N 0.35 0.00 0.39 0.34 3.38 0.32 -2.43 115.31 117.66 1jeq h LEU 153 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1jeq h LEU 153 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1jeq h LEU 153 CO 0.18 0.00 -0.19 -0.26 0.09 0.00 0.00 178.44 178.27 1jeq h PHE 154 N 0.00 -0.48 -0.85 1.13 0.05 -1.49 -3.31 116.94 111.99 1jeq h PHE 154 Ca 0.04 -0.01 0.10 0.00 3.82 0.00 0.00 57.97 61.93 1jeq h PHE 154 Cb 0.24 0.16 -0.13 0.00 2.00 0.00 0.00 35.95 38.22 1jeq h PHE 154 CO 0.00 -0.20 -0.49 0.77 -0.18 0.00 0.00 178.31 178.21 1jeq h SER 155 N -1.05 -1.77 -1.13 2.17 0.02 -1.44 0.50 113.55 110.85 1jeq h SER 155 Ca -0.05 0.30 0.33 0.00 -0.84 0.00 0.00 61.79 61.52 1jeq h SER 155 Cb 0.50 0.82 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 1jeq h SER 155 CO 0.09 -0.29 1.08 -0.78 -1.14 0.00 0.00 176.83 175.79 1jeq h ASP 156 N -0.09 0.00 -3.17 3.07 3.58 -1.60 -3.41 116.42 114.80 1jeq h ASP 156 Ca 0.21 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.09 1jeq h ASP 156 Cb 0.52 0.00 0.10 0.00 1.72 0.00 0.00 39.33 41.67 1jeq h ASP 156 CO -0.86 0.00 0.52 0.55 -2.88 0.00 0.00 179.24 176.57 1jeq n VAL 157 N -3.57 1.80 0.22 2.25 3.14 0.17 -4.90 118.33 117.44 1jeq n VAL 157 Ca 0.25 -0.45 0.10 0.00 -2.96 0.00 0.00 64.34 61.28 1jeq n VAL 157 Cb 1.44 -1.54 0.19 0.00 -1.06 0.00 0.00 33.84 32.86 1jeq n VAL 157 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jeq n GLN 158 N 0.85 2.32 -2.67 1.45 0.00 -1.26 -4.98 117.38 113.09 1jeq n GLN 158 Ca 0.06 -2.13 -0.13 0.00 0.00 0.00 0.00 57.00 54.80 1jeq n GLN 158 Cb 0.35 -1.44 -0.00 0.00 0.00 0.00 0.00 30.24 29.15 1jeq n GLN 158 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1jeq n PHE 159 N 1.25 -1.02 -3.95 2.61 3.01 -1.26 -5.12 117.46 112.97 1jeq n PHE 159 Ca 0.17 -1.16 -0.36 0.00 1.01 0.00 0.00 57.45 57.11 1jeq n PHE 159 Cb 0.54 -0.22 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 1jeq n PHE 159 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1jeq s LYS 160 N -3.12 3.65 -0.18 -1.08 1.02 -1.26 -5.10 119.74 113.68 1jeq s LYS 160 Ca 0.15 -0.24 0.01 0.00 0.02 0.00 0.00 55.97 55.92 1jeq s LYS 160 Cb -0.01 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1jeq s LYS 160 CO 0.10 0.56 -0.19 -1.64 -0.92 0.00 0.00 175.35 173.25 1jeq s MET 161 N -0.41 3.02 0.37 1.68 -1.94 -1.26 -3.48 119.30 117.28 1jeq s MET 161 Ca 0.11 -0.82 0.16 0.00 -1.71 0.00 0.00 55.69 53.42 1jeq s MET 161 Cb -0.12 -2.57 0.70 0.00 2.01 0.00 0.00 34.83 34.85 1jeq s MET 161 CO 0.02 -0.18 1.77 0.77 -0.01 0.00 0.00 175.02 177.39 1jeq h SER 162 N 7.85 0.00 -4.19 3.03 0.02 -0.97 -3.45 113.55 115.83 1jeq h SER 162 Ca -0.43 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.38 1jeq h SER 162 Cb 1.15 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.45 1jeq h SER 162 CO 0.62 0.40 -0.34 -1.00 -1.14 0.00 0.00 176.83 175.38 1jeq s HIS 163 N -3.86 -0.28 -0.27 3.45 3.76 -1.25 -4.98 115.29 111.84 1jeq s HIS 163 Ca -0.01 0.65 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 1jeq s HIS 163 Cb 0.13 0.10 0.08 0.00 1.11 0.00 0.00 32.58 34.00 1jeq s HIS 163 CO 0.71 -0.23 0.03 0.15 -0.85 0.00 0.00 174.74 174.55 1jeq s LYS 164 N -0.29 1.10 0.12 1.40 1.02 -1.26 -0.11 119.74 121.72 1jeq s LYS 164 Ca -0.04 -1.07 0.06 0.00 0.02 0.00 0.00 55.97 54.94 1jeq s LYS 164 Cb -0.03 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1jeq s LYS 164 CO 0.01 -0.80 -0.14 1.03 -0.92 0.00 0.00 175.35 174.53 1jeq s ARG 165 N 1.48 1.01 -0.09 1.68 0.52 -1.01 0.02 118.95 122.56 1jeq s ARG 165 Ca 0.03 -1.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 1jeq s ARG 165 Cb -0.18 -0.89 0.01 0.00 0.52 0.00 0.00 34.95 34.41 1jeq s ARG 165 CO -0.14 0.17 -0.15 0.42 0.02 0.00 0.00 175.30 175.62 1jeq s ILE 166 N -2.13 1.41 -0.31 1.52 1.01 0.35 -1.28 121.20 121.78 1jeq s ILE 166 Ca 0.08 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 1jeq s ILE 166 Cb -0.05 -1.27 0.04 0.00 0.01 0.00 0.00 42.46 41.19 1jeq s ILE 166 CO 0.03 0.42 0.04 -0.32 0.00 0.00 0.00 174.94 175.11 1jeq s MET 167 N 0.72 2.65 -0.34 2.79 1.75 0.03 -0.68 119.30 126.22 1jeq s MET 167 Ca -0.13 -1.14 -0.18 0.00 -1.25 0.00 0.00 55.69 53.00 1jeq s MET 167 Cb -0.16 -3.29 -0.01 0.00 2.84 0.00 0.00 34.83 34.22 1jeq s MET 167 CO 0.03 -0.58 0.49 -1.17 -0.65 0.00 0.00 175.02 173.13 1jeq s LEU 168 N 1.35 4.35 -0.46 4.11 2.96 -0.41 -0.59 118.68 129.99 1jeq s LEU 168 Ca -0.02 -0.03 -0.16 0.00 -0.22 0.00 0.00 54.13 53.70 1jeq s LEU 168 Cb -0.19 -2.55 0.06 0.00 0.50 0.00 0.00 46.19 44.01 1jeq s LEU 168 CO 0.00 -0.45 0.39 -0.36 -1.32 0.00 0.00 176.35 174.61 1jeq s PHE 169 N 2.33 3.23 -0.17 5.38 0.40 0.86 -0.24 117.98 129.78 1jeq s PHE 169 Ca 0.18 -0.82 -0.16 0.00 -0.60 0.00 0.00 56.93 55.53 1jeq s PHE 169 Cb -0.16 -3.05 0.04 0.00 0.51 0.00 0.00 43.02 40.37 1jeq s PHE 169 CO 0.13 -0.76 0.45 -0.08 0.70 0.00 0.00 175.22 175.66 1jeq s THR 170 N 1.71 -0.00 -0.26 0.64 -1.32 -1.20 -1.03 115.64 114.18 1jeq s THR 170 Ca 0.05 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.66 1jeq s THR 170 Cb -0.23 -0.64 0.72 0.00 -1.51 0.00 0.00 72.50 70.85 1jeq s THR 170 CO 0.08 0.00 1.69 -0.46 -2.21 0.00 0.00 174.62 173.72 1jeq n ASN 171 N 2.85 4.86 -4.23 8.08 6.94 -1.26 -1.36 115.26 131.14 1jeq n ASN 171 Ca -0.13 -3.11 -0.36 0.00 -0.02 0.00 0.00 54.58 50.95 1jeq n ASN 171 Cb 0.57 -0.68 -0.13 0.00 -2.36 0.00 0.00 39.78 37.18 1jeq n ASN 171 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 1jeq s GLU 172 N -2.90 2.55 0.29 -3.83 2.56 -1.26 -4.56 118.70 111.55 1jeq s GLU 172 Ca 0.52 -1.20 0.24 0.00 0.00 0.00 0.00 54.97 54.53 1jeq s GLU 172 Cb 0.41 -3.32 0.50 0.00 2.00 0.00 0.00 34.13 33.72 1jeq s GLU 172 CO 0.13 -0.63 1.60 0.38 -0.56 0.00 0.00 175.26 176.17 1jeq h ASP 173 N 8.12 0.00 -1.64 -1.70 -0.00 -1.89 -3.40 116.42 115.91 1jeq h ASP 173 Ca -0.23 -0.02 -0.49 0.00 -0.00 0.00 0.00 57.03 56.29 1jeq h ASP 173 Cb 1.07 0.00 -0.34 0.00 -0.00 0.00 0.00 39.33 40.07 1jeq h ASP 173 CO 0.57 0.01 -0.97 -3.20 -0.00 0.00 0.00 179.24 175.65 1jeq n ASN 174 N -2.63 -0.56 -0.28 4.15 5.15 -1.26 -4.12 115.26 115.72 1jeq n ASN 174 Ca 0.04 -2.78 0.08 0.00 -0.60 0.00 0.00 54.58 51.32 1jeq n ASN 174 Cb 0.48 -0.11 0.23 0.00 -0.53 0.00 0.00 39.78 39.85 1jeq n ASN 174 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1jeq h PRO 175 N 4.18 0.40 -0.94 1.20 0.11 -1.97 -3.15 132.00 131.83 1jeq h PRO 175 Ca 0.05 -0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.58 1jeq h PRO 175 Cb 0.92 -0.09 -0.43 0.00 0.11 0.00 0.00 31.00 31.51 1jeq h PRO 175 CO 0.42 0.26 -0.80 0.72 -0.21 0.00 0.00 178.00 178.39 1jeq n HIS 176 N -5.04 2.89 0.53 0.65 8.25 -1.26 -4.75 115.22 116.49 1jeq n HIS 176 Ca 0.17 -2.45 0.12 0.00 -0.26 0.00 0.00 57.72 55.30 1jeq n HIS 176 Cb 0.51 -0.27 0.45 0.00 1.12 0.00 0.00 29.99 31.80 1jeq n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jeq n GLY 177 N -0.65 -1.36 0.00 -1.41 0.00 -1.19 -2.75 105.19 97.84 1jeq n GLY 177 Ca 0.42 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.54 1jeq n GLY 177 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jeq n ASN 178 N -2.04 0.82 -3.63 1.61 2.04 -1.26 -4.67 115.26 108.12 1jeq n ASN 178 Ca 0.04 -0.65 -0.27 0.00 -0.44 0.00 0.00 54.58 53.25 1jeq n ASN 178 Cb 0.28 1.25 -0.10 0.00 -2.53 0.00 0.00 39.78 38.68 1jeq n ASN 178 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1jeq n ASP 179 N -1.64 2.62 0.00 0.53 -0.08 -1.11 -4.95 116.55 111.91 1jeq n ASP 179 Ca 0.01 -3.15 0.00 0.00 -1.51 0.00 0.00 54.79 50.15 1jeq n ASP 179 Cb 0.34 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.11 1jeq n ASP 179 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1jeq n SER 180 N 1.67 0.00 -0.07 1.67 3.41 -1.26 -1.27 113.62 117.77 1jeq n SER 180 Ca 0.24 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.70 1jeq n SER 180 Cb 0.40 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.29 1jeq n SER 180 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jeq n ALA 181 N -0.36 2.02 -0.15 7.33 0.00 -1.26 -4.26 120.51 123.82 1jeq n ALA 181 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.77 1jeq n ALA 181 Cb 0.00 0.30 0.01 0.00 0.00 0.00 0.00 19.45 19.76 1jeq n ALA 181 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jeq h LYS 182 N -0.50 0.62 -0.74 0.00 1.57 -1.53 -0.56 116.57 115.42 1jeq h LYS 182 Ca -0.38 -0.04 0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1jeq h LYS 182 Cb 1.34 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1jeq h LYS 182 CO -0.22 0.43 0.54 0.00 -0.57 0.00 0.00 179.45 179.63 1jeq h ALA 183 N 1.16 2.68 0.18 3.86 0.00 -1.65 0.62 119.26 126.10 1jeq h ALA 183 Ca 0.17 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 1jeq h ALA 183 Cb -0.05 0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1jeq h ALA 183 CO -0.03 -0.92 -1.31 0.77 0.00 0.00 0.00 179.25 177.75 1jeq h SER 184 N 0.00 0.59 -0.76 0.00 0.02 -1.34 -2.96 113.55 109.10 1jeq h SER 184 Ca 0.35 -0.92 -0.03 0.00 -0.84 0.00 0.00 61.79 60.35 1jeq h SER 184 Cb 1.43 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 1jeq h SER 184 CO -0.00 1.61 0.37 0.03 -1.14 0.00 0.00 176.83 177.69 1jeq h ARG 185 N -0.12 1.11 -0.52 3.45 3.08 0.04 -2.08 114.38 119.35 1jeq h ARG 185 Ca -0.25 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 1jeq h ARG 185 Cb 1.91 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.73 1jeq h ARG 185 CO 0.17 0.86 0.21 0.00 -1.07 0.00 0.00 179.97 180.14 1jeq h ALA 186 N 1.30 0.68 -0.50 0.04 0.00 -1.02 0.25 119.26 120.01 1jeq h ALA 186 Ca 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jeq h ALA 186 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jeq h ALA 186 CO -0.03 0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.59 1jeq h ARG 187 N 0.71 0.83 0.58 0.00 3.08 -1.33 -0.94 114.38 117.30 1jeq h ARG 187 Ca 0.17 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1jeq h ARG 187 Cb 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1jeq h ARG 187 CO -0.01 0.82 -0.29 1.15 -1.07 0.00 0.00 179.97 180.57 1jeq h THR 188 N 0.70 0.00 -1.01 2.04 2.02 -1.10 -0.68 112.91 114.88 1jeq h THR 188 Ca 0.15 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.69 1jeq h THR 188 Cb 0.39 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.65 1jeq h THR 188 CO 0.01 0.00 0.57 0.50 0.37 0.00 0.00 175.52 176.97 1jeq h LYS 189 N -0.79 0.22 0.26 6.66 1.63 -0.44 0.55 116.57 124.65 1jeq h LYS 189 Ca -0.08 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1jeq h LYS 189 Cb 0.61 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1jeq h LYS 189 CO 0.13 0.14 -0.13 0.00 -3.45 0.00 0.00 179.45 176.14 1jeq h ALA 190 N 1.89 -0.35 -1.15 5.00 0.00 -0.95 -2.53 119.26 121.18 1jeq h ALA 190 Ca 0.77 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.83 1jeq h ALA 190 Cb 1.87 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 1jeq h ALA 190 CO -0.65 -0.53 0.80 0.78 0.00 0.00 0.00 179.25 179.64 1jeq h GLY 191 N -0.68 0.43 0.96 0.00 0.00 0.16 0.21 103.07 104.15 1jeq h GLY 191 Ca -0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 1jeq h GLY 191 CO 0.06 -0.06 -0.51 -0.55 0.00 0.00 0.00 176.54 175.48 1jeq h ASP 192 N 0.12 0.72 -0.53 0.19 3.32 -0.78 -3.14 116.42 116.32 1jeq h ASP 192 Ca 0.59 -0.60 0.07 0.00 0.02 0.00 0.00 57.03 57.10 1jeq h ASP 192 Cb 2.05 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 41.33 1jeq h ASP 192 CO -0.11 1.19 0.21 -0.07 -1.72 0.00 0.00 179.24 178.75 1jeq h LEU 193 N 0.29 0.25 -0.80 1.55 3.38 -0.18 -0.36 115.31 119.44 1jeq h LEU 193 Ca -0.02 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.14 1jeq h LEU 193 Cb 1.13 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 1jeq h LEU 193 CO 0.11 0.17 0.40 0.03 0.09 0.00 0.00 178.44 179.24 1jeq h ARG 194 N 0.41 0.58 -0.02 1.13 3.08 -1.47 0.48 114.38 118.58 1jeq h ARG 194 Ca 0.25 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 1jeq h ARG 194 Cb 0.25 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1jeq h ARG 194 CO -0.23 0.39 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.48 1jeq h ASP 195 N 0.60 0.02 0.55 7.04 3.32 -1.06 0.69 116.42 127.59 1jeq h ASP 195 Ca 0.43 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1jeq h ASP 195 Cb 0.57 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1jeq h ASP 195 CO -0.34 0.16 -0.12 0.41 -1.72 0.00 0.00 179.24 177.63 1jeq n THR 196 N -4.37 0.00 -0.49 0.35 -1.04 0.15 -4.91 114.28 103.98 1jeq n THR 196 Ca -0.02 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1jeq n THR 196 Cb 0.21 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1jeq n THR 196 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jeq n GLY 197 N 1.36 0.72 3.71 3.41 0.00 0.23 -5.06 105.19 109.57 1jeq n GLY 197 Ca 0.12 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1jeq n GLY 197 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jeq s ILE 198 N -2.00 5.32 -0.08 -0.61 1.01 -0.39 -4.31 121.20 120.14 1jeq s ILE 198 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 60.65 61.13 1jeq s ILE 198 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 1jeq s ILE 198 CO 0.00 0.38 -0.12 -0.36 0.00 0.00 0.00 174.94 174.84 1jeq s PHE 199 N 0.61 2.80 -0.11 3.97 0.40 0.10 -3.35 117.98 122.41 1jeq s PHE 199 Ca 0.14 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1jeq s PHE 199 Cb -0.13 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 1jeq s PHE 199 CO 0.03 0.08 -0.15 -1.17 0.70 0.00 0.00 175.22 174.71 1jeq s LEU 200 N -0.35 2.60 -0.02 -0.37 0.20 -1.26 0.13 118.68 119.62 1jeq s LEU 200 Ca 0.04 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.57 1jeq s LEU 200 Cb -0.13 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 1jeq s LEU 200 CO 0.02 0.20 -0.17 -1.81 -0.29 0.00 0.00 176.35 174.31 1jeq s ASP 201 N 0.10 3.83 -0.36 3.68 1.01 0.14 -2.26 116.67 122.81 1jeq s ASP 201 Ca -0.07 -0.29 -0.14 0.00 0.71 0.00 0.00 52.55 52.76 1jeq s ASP 201 Cb -0.15 -0.72 -0.00 0.00 1.01 0.00 0.00 42.92 43.06 1jeq s ASP 201 CO 0.05 0.32 0.30 -0.22 0.21 0.00 0.00 175.17 175.83 1jeq s LEU 202 N -0.87 4.66 -1.10 1.23 2.96 -1.26 -1.29 118.68 123.00 1jeq s LEU 202 Ca 0.12 -0.50 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1jeq s LEU 202 Cb -0.10 -2.21 0.29 0.00 0.50 0.00 0.00 46.19 44.67 1jeq s LEU 202 CO 0.01 -0.34 1.46 0.23 -1.32 0.00 0.00 176.35 176.40 1jeq n MET 203 N 5.23 4.28 -2.11 1.98 2.81 0.67 -4.97 117.12 125.00 1jeq n MET 203 Ca -0.11 -4.46 -0.41 0.00 -1.81 0.00 0.00 57.70 50.91 1jeq n MET 203 Cb 0.49 -2.55 -0.03 0.00 -0.71 0.00 0.00 33.22 30.42 1jeq n MET 203 CO 0.00 0.00 0.00 -3.38 1.51 0.00 0.00 175.97 174.10 1jeq s HIS 204 N -2.29 3.11 0.32 2.03 -3.43 -1.26 -3.22 115.29 110.54 1jeq s HIS 204 Ca 0.32 1.19 0.08 0.00 -0.80 0.00 0.00 55.06 55.85 1jeq s HIS 204 Cb 0.03 -3.71 -0.03 0.00 -1.43 0.00 0.00 32.58 27.44 1jeq s HIS 204 CO 0.07 -2.19 0.21 -0.51 -2.00 0.00 0.00 174.74 170.33 1jeq s LEU 205 N -0.63 3.52 0.57 5.38 1.43 -0.46 -2.08 118.68 126.42 1jeq s LEU 205 Ca 0.56 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 1jeq s LEU 205 Cb -0.39 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1jeq s LEU 205 CO 0.44 -0.25 1.29 -0.75 0.23 0.00 0.00 176.35 177.30 1jeq s LYS 206 N -3.90 3.01 -0.08 1.70 2.20 -0.50 -4.30 119.74 117.86 1jeq s LYS 206 Ca 0.38 2.06 -0.13 0.00 -0.36 0.00 0.00 55.97 57.91 1jeq s LYS 206 Cb -0.05 -2.09 0.03 0.00 -1.51 0.00 0.00 37.83 34.20 1jeq s LYS 206 CO 0.25 -1.24 0.33 0.21 -0.36 0.00 0.00 175.35 174.54 1jeq s LYS 207 N -3.10 0.51 -0.21 4.03 2.20 -1.25 -4.80 119.74 117.12 1jeq s LYS 207 Ca 0.75 0.19 -0.37 0.00 -0.36 0.00 0.00 55.97 56.18 1jeq s LYS 207 Cb -0.36 0.24 -0.13 0.00 -1.51 0.00 0.00 37.83 36.06 1jeq s LYS 207 CO 0.41 -0.11 1.87 -0.35 -0.36 0.00 0.00 175.35 176.82 1jeq n PRO 208 N 2.20 1.58 0.00 4.03 -0.04 -1.26 -0.22 135.00 141.29 1jeq n PRO 208 Ca -0.17 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1jeq n PRO 208 Cb 0.57 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1jeq n PRO 208 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jeq n GLY 209 N 4.63 2.92 0.00 0.55 0.00 -1.26 -4.97 105.19 107.07 1jeq n GLY 209 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1jeq n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jeq n GLY 210 N -1.37 0.35 3.04 -0.02 0.00 0.69 -4.99 105.19 102.90 1jeq n GLY 210 Ca 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 46.02 43.85 1jeq n GLY 210 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jeq s PHE 211 N 0.00 -1.46 -0.48 1.61 5.36 -1.26 -3.76 117.98 117.99 1jeq s PHE 211 Ca 0.00 0.83 -0.29 0.00 -0.96 0.00 0.00 56.93 56.52 1jeq s PHE 211 Cb 0.00 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.85 1jeq s PHE 211 CO 0.00 -1.01 1.12 0.34 -1.46 0.00 0.00 175.22 174.20 1jeq s ASP 212 N 2.71 6.60 0.25 6.13 -1.08 -1.26 -4.89 116.67 125.13 1jeq s ASP 212 Ca 0.11 0.39 0.05 0.00 -0.52 0.00 0.00 52.55 52.58 1jeq s ASP 212 Cb -0.12 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.11 1jeq s ASP 212 CO -0.27 -1.25 1.60 0.40 0.52 0.00 0.00 175.17 176.18 1jeq h ILE 213 N 6.22 1.36 0.00 4.11 2.04 -2.00 -3.19 117.51 126.05 1jeq h ILE 213 Ca -0.23 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 63.80 1jeq h ILE 213 Cb 1.06 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1jeq h ILE 213 CO 1.12 0.54 0.00 -1.54 0.00 0.00 0.00 178.15 178.27 1jeq n SER 214 N -3.93 0.00 0.20 1.72 3.41 -1.26 -2.14 113.62 111.62 1jeq n SER 214 Ca -0.02 0.43 0.12 0.00 -0.26 0.00 0.00 58.87 59.14 1jeq n SER 214 Cb 0.57 -0.46 0.16 0.00 -0.26 0.00 0.00 64.21 64.23 1jeq n SER 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jeq h LEU 215 N 0.00 0.00 0.00 1.04 3.38 -1.83 -3.45 115.31 114.45 1jeq h LEU 215 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jeq h LEU 215 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1jeq h LEU 215 CO 0.00 0.00 0.00 0.33 0.09 0.00 0.00 178.44 178.86 1jeq n PHE 216 N -2.98 -2.75 0.16 1.13 7.35 -1.11 -4.94 117.46 114.32 1jeq n PHE 216 Ca 0.04 0.23 0.06 0.00 -0.76 0.00 0.00 57.45 57.02 1jeq n PHE 216 Cb 0.52 0.99 0.34 0.00 0.35 0.00 0.00 39.48 41.68 1jeq n PHE 216 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1jeq n TYR 217 N -2.61 0.42 -0.13 -5.13 4.02 -1.21 -1.35 117.16 111.17 1jeq n TYR 217 Ca 0.00 0.22 -0.04 0.00 -0.01 0.00 0.00 57.90 58.07 1jeq n TYR 217 Cb 0.00 -0.65 0.02 0.00 -0.02 0.00 0.00 39.34 38.69 1jeq n TYR 217 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1jeq h ARG 218 N 0.00 0.00 -0.87 -0.72 2.43 -1.73 0.12 114.38 113.60 1jeq h ARG 218 Ca 0.00 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1jeq h ARG 218 Cb 0.59 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 1jeq h ARG 218 CO 0.00 0.00 0.13 -0.25 -1.51 0.00 0.00 179.97 178.34 1jeq n ASP 219 N -5.32 3.39 0.00 -3.80 8.00 -0.46 -4.19 116.55 114.17 1jeq n ASP 219 Ca 0.03 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.92 1jeq n ASP 219 Cb 0.23 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1jeq n ASP 219 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1jeq n ILE 220 N 0.06 0.00 -1.59 0.53 5.41 0.24 -4.83 119.36 119.19 1jeq n ILE 220 Ca 0.20 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.63 1jeq n ILE 220 Cb 0.87 -0.33 0.06 0.00 -0.71 0.00 0.00 39.64 39.54 1jeq n ILE 220 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1jeq s ILE 221 N -1.63 3.18 -0.12 1.39 -4.36 -0.20 -4.81 121.20 114.65 1jeq s ILE 221 Ca 0.00 0.50 -0.13 0.00 -0.26 0.00 0.00 60.65 60.76 1jeq s ILE 221 Cb 0.00 -3.01 -0.05 0.00 1.25 0.00 0.00 42.46 40.66 1jeq s ILE 221 CO 0.00 -0.38 0.31 -0.44 0.24 0.00 0.00 174.94 174.67 1jeq s SER 222 N -2.75 6.53 0.00 4.36 0.01 -0.96 -4.99 113.70 115.90 1jeq s SER 222 Ca 0.66 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.54 1jeq s SER 222 Cb -0.20 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1jeq s SER 222 CO 0.46 0.19 0.00 2.30 0.41 0.00 0.00 173.24 176.60 1jeq n ILE 223 N 2.95 0.00 -1.28 1.44 -5.35 -1.26 -4.96 119.36 110.89 1jeq n ILE 223 Ca -0.13 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.05 1jeq n ILE 223 Cb 0.52 0.00 0.20 0.00 -1.74 0.00 0.00 39.64 38.63 1jeq n ILE 223 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1jeq s VAL 231 N -2.28 1.81 0.68 7.28 -7.23 -1.26 -5.24 120.40 114.16 1jeq s VAL 231 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.09 1jeq s VAL 231 Cb 0.00 -2.60 0.04 0.00 0.56 0.00 0.00 36.38 34.38 1jeq s VAL 231 CO 0.00 0.00 1.02 -2.28 -0.31 0.00 0.00 175.10 173.53 1jeq s HIS 232 N -3.16 3.12 0.64 2.82 2.46 -1.26 -5.06 115.29 114.85 1jeq s HIS 232 Ca 0.69 0.69 -0.16 0.00 0.47 0.00 0.00 55.06 56.75 1jeq s HIS 232 Cb -0.12 -3.07 -0.01 0.00 -0.13 0.00 0.00 32.58 29.25 1jeq s HIS 232 CO 0.56 -1.23 1.11 -0.06 -2.47 0.00 0.00 174.74 172.64 1jeq s PHE 233 N -3.24 2.66 0.72 3.88 0.40 -1.26 -4.82 117.98 116.32 1jeq s PHE 233 Ca 0.58 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 58.34 1jeq s PHE 233 Cb -0.11 -3.17 0.02 0.00 0.51 0.00 0.00 43.02 40.28 1jeq s PHE 233 CO 0.47 -1.63 1.11 -1.21 0.70 0.00 0.00 175.22 174.66 1jeq s GLU 234 N -4.00 2.71 0.34 0.44 0.41 -0.81 -5.01 118.70 112.79 1jeq s GLU 234 Ca 0.67 0.44 -0.27 0.00 -0.41 0.00 0.00 54.97 55.40 1jeq s GLU 234 Cb -0.21 -2.01 -0.09 0.00 -1.78 0.00 0.00 34.13 30.05 1jeq s GLU 234 CO 0.39 -1.13 1.11 -1.83 -0.49 0.00 0.00 175.26 173.31 1jeq s GLU 235 N -5.37 4.38 -0.19 1.61 -1.05 -1.26 -4.89 118.70 111.92 1jeq s GLU 235 Ca 0.59 1.76 -0.19 0.00 -0.15 0.00 0.00 54.97 56.98 1jeq s GLU 235 Cb -0.11 -2.91 -0.03 0.00 -0.44 0.00 0.00 34.13 30.64 1jeq s GLU 235 CO 0.52 -0.01 0.54 -1.12 0.95 0.00 0.00 175.26 176.13 1jeq s SER 236 N -1.08 6.60 -0.00 0.83 0.01 -0.88 -4.85 113.70 114.32 1jeq s SER 236 Ca 0.51 0.72 0.03 0.00 1.31 0.00 0.00 55.95 58.51 1jeq s SER 236 Cb -0.30 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 1jeq s SER 236 CO 0.38 -0.19 0.08 -1.54 0.41 0.00 0.00 173.24 172.38 1jeq n SER 237 N 4.76 2.98 -4.35 2.44 3.41 -1.26 -1.41 113.62 120.19 1jeq n SER 237 Ca -0.04 -0.18 -0.29 0.00 -0.26 0.00 0.00 58.87 58.09 1jeq n SER 237 Cb 0.50 1.09 -0.14 0.00 -0.26 0.00 0.00 64.21 65.40 1jeq n SER 237 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jeq s LYS 238 N -1.88 1.67 0.51 4.33 1.02 -1.26 -4.81 119.74 119.32 1jeq s LYS 238 Ca -0.00 -1.15 0.15 0.00 0.02 0.00 0.00 55.97 54.99 1jeq s LYS 238 Cb 0.02 -1.91 1.23 0.00 -0.52 0.00 0.00 37.83 36.64 1jeq s LYS 238 CO 0.11 0.49 2.13 1.25 -0.92 0.00 0.00 175.35 178.41 1jeq h LEU 239 N 4.60 0.05 -0.49 3.17 5.85 -1.95 -2.14 115.31 124.40 1jeq h LEU 239 Ca -0.47 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1jeq h LEU 239 Cb 1.15 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1jeq h LEU 239 CO 0.43 0.04 0.28 -0.33 -0.34 0.00 0.00 178.44 178.51 1jeq h GLU 240 N 0.06 0.68 0.00 1.25 5.08 -2.00 -1.84 114.58 117.80 1jeq h GLU 240 Ca 0.03 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1jeq h GLU 240 Cb 0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1jeq h GLU 240 CO -0.00 0.51 -0.78 -0.44 -1.00 0.00 0.00 179.01 177.30 1jeq h ASP 241 N 0.65 0.00 -0.36 1.42 3.32 -1.89 -3.03 116.42 116.54 1jeq h ASP 241 Ca 0.17 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1jeq h ASP 241 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1jeq h ASP 241 CO -0.03 0.78 -0.10 0.25 -1.72 0.00 0.00 179.24 178.42 1jeq h LEU 242 N 0.00 0.72 -0.52 1.55 5.85 -1.21 -1.20 115.31 120.50 1jeq h LEU 242 Ca -0.01 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1jeq h LEU 242 Cb 1.58 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1jeq h LEU 242 CO 0.10 0.92 0.20 0.25 -0.34 0.00 0.00 178.44 179.58 1jeq h LEU 243 N 0.51 0.73 -1.17 2.25 6.46 -1.41 0.23 115.31 122.90 1jeq h LEU 243 Ca 0.09 -0.17 0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1jeq h LEU 243 Cb 0.62 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.31 1jeq h LEU 243 CO 0.04 0.70 0.57 0.03 -0.62 0.00 0.00 178.44 179.16 1jeq h ARG 244 N 0.71 1.06 -0.15 1.25 3.08 -1.40 0.87 114.38 119.81 1jeq h ARG 244 Ca 0.17 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.96 1jeq h ARG 244 Cb 0.21 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1jeq h ARG 244 CO -0.01 0.70 -0.72 0.87 -1.07 0.00 0.00 179.97 179.74 1jeq h LYS 245 N 1.10 0.67 0.02 0.04 1.57 -0.69 -2.12 116.57 117.16 1jeq h LYS 245 Ca 0.34 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1jeq h LYS 245 Cb -0.01 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1jeq h LYS 245 CO -0.10 1.14 -0.01 0.28 -0.57 0.00 0.00 179.45 180.20 1jeq h VAL 246 N 0.47 1.31 -0.87 0.50 2.07 0.58 -3.10 116.25 117.20 1jeq h VAL 246 Ca -0.03 -1.05 0.15 0.00 0.82 0.00 0.00 66.70 66.59 1jeq h VAL 246 Cb 1.33 2.01 -0.09 0.00 -1.52 0.00 0.00 31.29 33.01 1jeq h VAL 246 CO 0.14 0.27 0.47 0.03 0.02 0.00 0.00 177.57 178.50 1jeq h ARG 247 N -0.49 0.64 0.00 1.57 3.08 0.68 0.30 114.38 120.17 1jeq h ARG 247 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1jeq h ARG 247 Cb 0.46 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1jeq h ARG 247 CO 0.01 0.43 0.00 0.00 -1.07 0.00 0.00 179.97 179.33 1jeq n ALA 248 N -2.41 1.73 -0.59 0.04 0.00 -0.80 -3.07 120.51 115.41 1jeq n ALA 248 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1jeq n ALA 248 Cb 0.44 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1jeq n ALA 248 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jeq n LYS 249 N -1.11 0.00 0.27 0.00 5.02 0.73 -4.82 118.16 118.25 1jeq n LYS 249 Ca 0.06 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.53 1jeq n LYS 249 Cb 0.04 -0.29 0.85 0.00 -0.02 0.00 0.00 35.03 35.61 1jeq n LYS 249 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1jeq h GLU 250 N 0.00 0.00 -5.29 1.97 4.11 -0.52 -3.43 114.58 111.42 1jeq h GLU 250 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.97 1jeq h GLU 250 Cb 0.29 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.40 1jeq h GLU 250 CO 0.00 0.00 -0.65 0.99 0.07 0.00 0.00 179.01 179.42 1jeq s THR 251 N -3.79 1.32 0.03 -1.06 2.01 -1.26 -5.09 115.64 107.80 1jeq s THR 251 Ca -0.01 -2.05 0.08 0.00 0.31 0.00 0.00 61.69 60.02 1jeq s THR 251 Cb 0.10 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1jeq s THR 251 CO 0.45 -0.20 -0.24 -0.13 -0.69 0.00 0.00 174.62 173.81 1jeq s ARG 252 N -3.82 1.66 0.02 4.92 3.00 -1.26 -5.04 118.95 118.43 1jeq s ARG 252 Ca 0.32 -1.00 -0.32 0.00 0.00 0.00 0.00 55.73 54.73 1jeq s ARG 252 Cb 0.06 -1.77 -0.16 0.00 0.00 0.00 0.00 34.95 33.07 1jeq s ARG 252 CO 0.12 0.46 0.83 1.63 0.00 0.00 0.00 175.30 178.35 1jeq n LYS 253 N 1.93 0.00 -3.64 3.54 5.02 -1.26 -4.95 118.16 118.80 1jeq n LYS 253 Ca -0.17 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.84 1jeq n LYS 253 Cb 0.52 -1.20 -0.16 0.00 -0.02 0.00 0.00 35.03 34.18 1jeq n LYS 253 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jeq s ARG 254 N -0.11 0.34 0.47 1.97 0.52 -1.26 -5.14 118.95 115.75 1jeq s ARG 254 Ca 0.73 -0.44 -0.21 0.00 -0.52 0.00 0.00 55.73 55.29 1jeq s ARG 254 Cb -1.02 -1.73 -0.08 0.00 0.52 0.00 0.00 34.95 32.63 1jeq s ARG 254 CO 0.47 -0.81 1.06 0.00 0.02 0.00 0.00 175.30 176.05 1jeq s ALA 255 N 1.98 2.91 0.18 2.13 0.00 -1.26 -4.70 121.76 123.00 1jeq s ALA 255 Ca 0.04 0.67 0.09 0.00 0.00 0.00 0.00 51.96 52.77 1jeq s ALA 255 Cb -0.16 -3.28 0.09 0.00 0.00 0.00 0.00 23.12 19.77 1jeq s ALA 255 CO -0.19 -0.36 1.45 1.25 0.00 0.00 0.00 175.76 177.91 1jeq h LEU 256 N 1.76 0.00 0.00 0.00 5.85 0.36 -3.48 115.31 119.80 1jeq h LEU 256 Ca -0.49 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.29 1jeq h LEU 256 Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1jeq h LEU 256 CO 0.60 0.79 0.17 -1.54 -0.34 0.00 0.00 178.44 178.11 1jeq n SER 257 N -3.56 -0.21 -3.76 1.25 3.41 -1.07 -4.98 113.62 104.71 1jeq n SER 257 Ca -0.00 -1.03 -0.14 0.00 -0.26 0.00 0.00 58.87 57.43 1jeq n SER 257 Cb 0.77 0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 64.89 1jeq n SER 257 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jeq s ARG 258 N -2.00 0.05 0.22 4.33 0.52 -1.26 -0.92 118.95 119.88 1jeq s ARG 258 Ca 0.06 0.29 0.01 0.00 -0.52 0.00 0.00 55.73 55.56 1jeq s ARG 258 Cb -0.00 -0.18 -0.05 0.00 0.52 0.00 0.00 34.95 35.24 1jeq s ARG 258 CO -0.00 -0.15 0.09 -0.51 0.02 0.00 0.00 175.30 174.74 1jeq s LEU 259 N 1.04 1.59 -0.29 2.53 1.43 -0.20 -4.96 118.68 119.82 1jeq s LEU 259 Ca -0.08 -1.34 -0.18 0.00 -1.03 0.00 0.00 54.13 51.49 1jeq s LEU 259 Cb -0.11 0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.22 1jeq s LEU 259 CO -0.04 -0.73 0.53 -0.54 0.23 0.00 0.00 176.35 175.79 1jeq s LYS 260 N -4.05 3.92 -0.78 1.70 1.02 -1.26 -1.56 119.74 118.73 1jeq s LYS 260 Ca 0.35 0.19 -0.16 0.00 0.02 0.00 0.00 55.97 56.37 1jeq s LYS 260 Cb 0.07 -3.71 0.18 0.00 -0.52 0.00 0.00 37.83 33.86 1jeq s LYS 260 CO 0.11 -0.46 0.78 -1.17 -0.92 0.00 0.00 175.35 173.69 1jeq s LEU 261 N 2.38 6.26 -0.15 3.17 0.20 0.58 -1.48 118.68 129.65 1jeq s LEU 261 Ca 0.21 -2.33 -0.29 0.00 0.69 0.00 0.00 54.13 52.40 1jeq s LEU 261 Cb -0.15 -2.25 -0.00 0.00 -0.43 0.00 0.00 46.19 43.35 1jeq s LEU 261 CO 0.11 -0.75 1.02 -0.54 -0.29 0.00 0.00 176.35 175.90 1jeq s LYS 262 N 1.03 4.36 0.36 1.98 1.02 -1.04 -2.35 119.74 125.11 1jeq s LYS 262 Ca 0.18 1.39 0.24 0.00 0.02 0.00 0.00 55.97 57.79 1jeq s LYS 262 Cb -0.13 -3.58 0.42 0.00 -0.52 0.00 0.00 37.83 34.01 1jeq s LYS 262 CO -0.06 -0.43 1.60 -0.07 -0.92 0.00 0.00 175.35 175.47 1jeq h LEU 263 N 8.54 0.00 -7.94 3.17 3.38 -0.80 -2.27 115.31 119.38 1jeq h LEU 263 Ca -0.27 -0.01 0.27 0.00 0.09 0.00 0.00 57.88 57.97 1jeq h LEU 263 Cb 1.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1jeq h LEU 263 CO 0.90 0.00 0.78 0.54 0.09 0.00 0.00 178.44 180.75 1jeq s ASN 264 N -5.73 0.00 0.22 -0.43 2.20 -1.19 -4.71 114.94 105.30 1jeq s ASN 264 Ca 0.07 -0.39 -0.17 0.00 -0.94 0.00 0.00 52.86 51.43 1jeq s ASN 264 Cb 0.07 0.29 0.22 0.00 -2.00 0.00 0.00 41.25 39.83 1jeq s ASN 264 CO 0.66 -0.57 1.48 0.29 -2.94 0.00 0.00 177.10 176.02 1jeq n LYS 265 N -0.82 -0.23 -0.07 3.55 4.76 -1.26 -3.75 118.16 120.34 1jeq n LYS 265 Ca 0.01 1.46 -0.06 0.00 -2.87 0.00 0.00 58.31 56.86 1jeq n LYS 265 Cb 0.59 -2.17 -0.02 0.00 -1.84 0.00 0.00 35.03 31.59 1jeq n LYS 265 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1jeq n ASP 266 N -5.40 1.83 -4.53 4.39 -0.08 -1.26 -4.82 116.55 106.69 1jeq n ASP 266 Ca 0.09 0.57 -0.35 0.00 -1.51 0.00 0.00 54.79 53.60 1jeq n ASP 266 Cb 0.38 -0.85 -0.08 0.00 2.34 0.00 0.00 41.12 42.91 1jeq n ASP 266 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1jeq n ILE 267 N -4.58 -0.05 -4.55 5.18 5.41 -1.25 -4.89 119.36 114.64 1jeq n ILE 267 Ca -0.09 -0.49 -0.22 0.00 1.00 0.00 0.00 62.75 62.95 1jeq n ILE 267 Cb 0.32 -1.82 -0.14 0.00 -0.71 0.00 0.00 39.64 37.28 1jeq n ILE 267 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1jeq s VAL 268 N 10.77 1.13 0.04 1.39 1.01 -1.26 -0.09 120.40 133.39 1jeq s VAL 268 Ca 1.12 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.40 1jeq s VAL 268 Cb -0.58 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1jeq s VAL 268 CO 0.34 0.21 -0.15 0.27 0.00 0.00 0.00 175.10 175.77 1jeq s ILE 269 N -0.51 1.18 -0.04 2.22 -4.36 -0.99 -4.97 121.20 113.72 1jeq s ILE 269 Ca 0.04 -1.02 -0.16 0.00 -0.26 0.00 0.00 60.65 59.25 1jeq s ILE 269 Cb -0.06 -1.06 -0.05 0.00 1.25 0.00 0.00 42.46 42.53 1jeq s ILE 269 CO 0.00 0.03 0.43 -0.94 0.24 0.00 0.00 174.94 174.70 1jeq s SER 270 N -1.14 6.77 0.11 4.36 1.04 -1.26 -0.31 113.70 123.27 1jeq s SER 270 Ca 0.02 0.91 0.04 0.00 0.48 0.00 0.00 55.95 57.40 1jeq s SER 270 Cb -0.08 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 1jeq s SER 270 CO 0.01 0.21 -0.09 0.68 0.98 0.00 0.00 173.24 175.03 1jeq s VAL 271 N -0.48 0.97 -0.16 5.02 -7.23 -0.60 -0.96 120.40 116.96 1jeq s VAL 271 Ca 0.24 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.51 1jeq s VAL 271 Cb -0.16 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1jeq s VAL 271 CO 0.12 -0.69 0.03 -0.83 -0.31 0.00 0.00 175.10 173.42 1jeq s GLY 272 N -2.82 1.86 -0.27 2.32 0.00 0.14 -1.03 107.32 107.51 1jeq s GLY 272 Ca 0.11 -0.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 1jeq s GLY 272 CO -0.01 -0.10 0.22 -0.42 0.00 0.00 0.00 173.10 172.79 1jeq s ILE 273 N 0.09 5.29 0.07 0.90 -1.09 -0.10 -2.34 121.20 124.03 1jeq s ILE 273 Ca 0.03 0.23 0.08 0.00 -2.23 0.00 0.00 60.65 58.77 1jeq s ILE 273 Cb -0.13 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1jeq s ILE 273 CO 0.01 0.24 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.46 1jeq s TYR 274 N 1.75 2.51 -0.63 3.97 1.51 0.62 0.28 117.35 127.36 1jeq s TYR 274 Ca 0.08 -0.28 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1jeq s TYR 274 Cb -0.16 -1.41 0.16 0.00 -0.11 0.00 0.00 41.96 40.45 1jeq s TYR 274 CO 0.10 0.29 0.45 0.54 -1.11 0.00 0.00 175.55 175.82 1jeq s ASN 275 N -1.67 5.35 0.47 2.29 4.22 -1.26 0.13 114.94 124.47 1jeq s ASN 275 Ca 0.15 -2.80 0.25 0.00 -2.14 0.00 0.00 52.86 48.32 1jeq s ASN 275 Cb -0.10 -1.88 1.11 0.00 1.28 0.00 0.00 41.25 41.66 1jeq s ASN 275 CO 0.06 -0.39 1.91 -0.07 -2.04 0.00 0.00 177.10 176.57 1jeq h LEU 276 N 7.13 0.00 -8.67 3.54 3.38 -1.93 -3.42 115.31 115.34 1jeq h LEU 276 Ca -0.01 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.27 1jeq h LEU 276 Cb 0.96 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.43 1jeq h LEU 276 CO 0.72 0.19 -0.83 0.68 0.09 0.00 0.00 178.44 179.29 1jeq s VAL 277 N -3.83 2.52 -0.29 1.22 -7.23 -1.26 -5.10 120.40 106.43 1jeq s VAL 277 Ca -0.01 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1jeq s VAL 277 Cb 0.11 -1.95 0.19 0.00 0.56 0.00 0.00 36.38 35.29 1jeq s VAL 277 CO 0.62 0.57 0.56 -1.58 -0.31 0.00 0.00 175.10 174.96 1jeq s GLN 278 N -0.39 0.54 -0.48 4.82 2.00 -1.26 -4.96 119.66 119.93 1jeq s GLN 278 Ca 0.04 0.65 -0.45 0.00 -2.00 0.00 0.00 55.36 53.59 1jeq s GLN 278 Cb -0.12 0.25 -0.19 0.00 0.80 0.00 0.00 33.01 33.75 1jeq s GLN 278 CO 0.02 -0.90 1.58 1.17 -0.50 0.00 0.00 175.29 176.66 1jeq n LYS 279 N 5.41 0.00 -2.60 1.67 4.81 -1.26 -4.84 118.16 121.36 1jeq n LYS 279 Ca 0.02 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.03 1jeq n LYS 279 Cb 0.52 -1.44 -0.02 0.00 0.02 0.00 0.00 35.03 34.11 1jeq n LYS 279 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jeq s ALA 280 N 3.10 3.65 0.25 3.14 0.00 -1.26 -5.03 121.76 125.61 1jeq s ALA 280 Ca 1.02 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 53.26 1jeq s ALA 280 Cb -1.44 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.08 1jeq s ALA 280 CO 0.78 -1.02 0.44 -0.51 0.00 0.00 0.00 175.76 175.45 1jeq s LEU 281 N 3.11 4.17 -0.50 0.00 1.43 -1.26 -5.03 118.68 120.61 1jeq s LEU 281 Ca 0.47 0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 1jeq s LEU 281 Cb -0.17 -3.21 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1jeq s LEU 281 CO 0.10 -0.12 1.26 -0.75 0.23 0.00 0.00 176.35 177.07 1jeq s LYS 282 N -3.63 3.58 0.42 1.70 2.20 -1.26 -4.96 119.74 117.78 1jeq s LYS 282 Ca 0.39 0.57 -0.24 0.00 -0.36 0.00 0.00 55.97 56.33 1jeq s LYS 282 Cb -0.10 -3.99 -0.11 0.00 -1.51 0.00 0.00 37.83 32.12 1jeq s LYS 282 CO 0.31 -1.58 0.94 -0.35 -0.36 0.00 0.00 175.35 174.31 1jeq n PRO 283 N 8.16 1.22 -2.00 4.03 -0.04 -1.26 -4.95 135.00 140.16 1jeq n PRO 283 Ca 0.12 0.44 -0.31 0.00 -0.04 0.00 0.00 63.50 63.71 1jeq n PRO 283 Cb 0.49 -1.95 -0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1jeq n PRO 283 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1jeq s PRO 284 N -1.95 3.68 0.84 0.54 0.04 -1.26 -5.05 135.00 131.85 1jeq s PRO 284 Ca 0.63 0.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1jeq s PRO 284 Cb -0.57 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 31.97 1jeq s PRO 284 CO 0.57 -0.50 1.09 -1.25 0.04 0.00 0.00 177.00 176.95 1jeq s PRO 285 N -4.91 1.71 0.23 0.56 0.04 -1.26 -5.06 135.00 126.31 1jeq s PRO 285 Ca 0.56 0.86 0.11 0.00 0.04 0.00 0.00 61.00 62.57 1jeq s PRO 285 Cb -0.11 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1jeq s PRO 285 CO 0.48 -1.93 -0.18 0.42 0.04 0.00 0.00 177.00 175.83 1jeq s ILE 286 N -2.98 2.63 0.01 0.56 1.01 -1.26 -5.13 121.20 116.04 1jeq s ILE 286 Ca 0.62 -2.11 -0.16 0.00 0.00 0.00 0.00 60.65 59.00 1jeq s ILE 286 Cb -0.17 -2.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 1jeq s ILE 286 CO 0.56 -0.25 0.44 -0.54 0.00 0.00 0.00 174.94 175.16 1jeq s LYS 287 N -3.11 3.99 0.06 2.79 1.02 -1.26 -5.06 119.74 118.17 1jeq s LYS 287 Ca 0.26 0.48 0.05 0.00 0.02 0.00 0.00 55.97 56.78 1jeq s LYS 287 Cb -0.07 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1jeq s LYS 287 CO 0.14 0.66 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.58 1jeq s LEU 288 N -1.01 2.25 -0.82 3.17 1.43 -1.26 -2.48 118.68 119.96 1jeq s LEU 288 Ca 0.25 -0.58 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 1jeq s LEU 288 Cb -0.17 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.54 1jeq s LEU 288 CO 0.14 -0.07 1.75 -0.47 0.23 0.00 0.00 176.35 177.94 1jeq s TYR 289 N -1.20 1.95 0.11 0.29 5.04 -0.52 -4.79 117.35 118.23 1jeq s TYR 289 Ca -0.02 0.33 0.09 0.00 -2.44 0.00 0.00 57.07 55.02 1jeq s TYR 289 Cb -0.10 -4.24 0.38 0.00 0.35 0.00 0.00 41.96 38.35 1jeq s TYR 289 CO 0.02 -1.98 0.39 -2.13 -1.34 0.00 0.00 175.55 170.51 1jeq n ARG 290 N 9.02 -0.01 0.07 4.97 0.63 -1.26 0.22 116.66 130.30 1jeq n ARG 290 Ca 0.29 0.31 -0.22 0.00 -0.92 0.00 0.00 57.85 57.31 1jeq n ARG 290 Cb 0.49 -0.62 -0.15 0.00 0.45 0.00 0.00 32.46 32.63 1jeq n ARG 290 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1jeq h GLU 291 N 0.00 0.36 -0.26 -0.14 5.08 -2.00 -3.37 114.58 114.25 1jeq h GLU 291 Ca 0.22 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1jeq h GLU 291 Cb 0.74 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1jeq h GLU 291 CO -0.11 1.29 0.00 0.25 -1.00 0.00 0.00 179.01 179.44 1jeq n THR 292 N -3.96 0.56 -4.23 1.13 -2.24 0.13 -4.98 114.28 100.69 1jeq n THR 292 Ca -0.17 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.52 1jeq n THR 292 Cb 0.92 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.93 1jeq n THR 292 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jeq n ASN 293 N 0.80 0.21 -4.67 3.42 3.02 0.10 -4.90 115.26 113.25 1jeq n ASN 293 Ca 0.12 -1.19 -0.33 0.00 -0.03 0.00 0.00 54.58 53.15 1jeq n ASN 293 Cb 0.42 -2.06 -0.09 0.00 -0.61 0.00 0.00 39.78 37.44 1jeq n ASN 293 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1jeq s GLU 294 N -7.12 2.82 0.58 3.52 2.12 -1.25 -4.79 118.70 114.57 1jeq s GLU 294 Ca 0.09 -0.56 -0.19 0.00 0.36 0.00 0.00 54.97 54.68 1jeq s GLU 294 Cb -0.05 -2.68 -0.07 0.00 0.26 0.00 0.00 34.13 31.59 1jeq s GLU 294 CO 0.97 0.65 0.79 -2.30 -0.54 0.00 0.00 175.26 174.83 1jeq n PRO 295 N 1.67 0.76 -3.81 4.30 -0.02 -1.26 -1.44 135.00 135.20 1jeq n PRO 295 Ca -0.16 0.30 -0.26 0.00 -2.02 0.00 0.00 63.50 61.35 1jeq n PRO 295 Cb 0.53 -1.97 -0.17 0.00 -0.02 0.00 0.00 33.50 31.87 1jeq n PRO 295 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jeq s VAL 296 N -1.58 0.73 0.75 -1.45 1.01 -1.03 -4.78 120.40 114.05 1jeq s VAL 296 Ca 0.72 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 1jeq s VAL 296 Cb -0.44 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.00 1jeq s VAL 296 CO 0.50 0.07 1.13 -0.75 0.00 0.00 0.00 175.10 176.06 1jeq s LYS 297 N 1.80 2.19 -0.26 2.72 2.47 -1.26 -4.81 119.74 122.59 1jeq s LYS 297 Ca 0.02 1.43 0.01 0.00 -1.56 0.00 0.00 55.97 55.87 1jeq s LYS 297 Cb -0.15 -1.87 0.07 0.00 -1.46 0.00 0.00 37.83 34.42 1jeq s LYS 297 CO -0.07 -1.73 -0.03 0.99 0.16 0.00 0.00 175.35 174.67 1jeq s THR 298 N -2.49 1.62 0.33 3.43 2.01 -1.26 -5.11 115.64 114.17 1jeq s THR 298 Ca 0.67 -1.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 1jeq s THR 298 Cb -0.22 -1.95 -0.06 0.00 0.01 0.00 0.00 72.50 70.28 1jeq s THR 298 CO 0.49 -0.23 0.65 -0.54 -0.69 0.00 0.00 174.62 174.31 1jeq s LYS 299 N 1.32 3.75 -0.16 4.92 1.02 -1.26 -5.08 119.74 124.25 1jeq s LYS 299 Ca -0.02 0.28 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 1jeq s LYS 299 Cb -0.19 -2.53 0.05 0.00 -0.52 0.00 0.00 37.83 34.64 1jeq s LYS 299 CO -0.08 0.13 -0.01 0.99 -0.92 0.00 0.00 175.35 175.46 1jeq s THR 300 N -2.14 0.79 -0.18 2.17 2.01 -1.26 -5.12 115.64 111.92 1jeq s THR 300 Ca 0.48 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1jeq s THR 300 Cb -0.11 -1.09 0.02 0.00 0.01 0.00 0.00 72.50 71.33 1jeq s THR 300 CO 0.28 0.02 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.91 1jeq s ARG 301 N 1.76 3.01 0.17 4.92 0.52 -1.26 -5.11 118.95 122.97 1jeq s ARG 301 Ca 0.01 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.36 1jeq s ARG 301 Cb -0.16 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.69 1jeq s ARG 301 CO -0.07 -0.18 0.39 0.99 0.02 0.00 0.00 175.30 176.45 1jeq s THR 302 N 1.23 5.17 0.15 0.02 2.01 -1.26 -5.04 115.64 117.91 1jeq s THR 302 Ca 0.03 -0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.73 1jeq s THR 302 Cb -0.13 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.79 1jeq s THR 302 CO -0.11 -0.05 0.64 0.72 -0.69 0.00 0.00 174.62 175.13 1jeq s PHE 303 N -1.75 -0.50 -0.04 4.92 -0.12 -1.26 -1.89 117.98 117.35 1jeq s PHE 303 Ca 0.41 0.28 -0.30 0.00 -0.05 0.00 0.00 56.93 57.27 1jeq s PHE 303 Cb -0.12 0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 1jeq s PHE 303 CO 0.26 -0.84 1.01 1.21 -0.05 0.00 0.00 175.22 176.82 1jeq s ASN 304 N -2.73 7.29 0.20 1.98 3.84 0.21 -4.87 114.94 120.86 1jeq s ASN 304 Ca 0.02 1.64 -0.09 0.00 0.21 0.00 0.00 52.86 54.64 1jeq s ASN 304 Cb -0.01 -2.57 0.12 0.00 -0.55 0.00 0.00 41.25 38.25 1jeq s ASN 304 CO -0.11 -0.35 1.75 0.74 -2.79 0.00 0.00 177.10 176.33 1jeq h THR 305 N 4.90 1.25 -0.15 -5.21 2.02 -1.95 -0.34 112.91 113.44 1jeq h THR 305 Ca -0.37 -0.83 -0.20 0.00 0.77 0.00 0.00 66.41 65.77 1jeq h THR 305 Cb 1.19 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1jeq h THR 305 CO 0.80 0.33 -0.71 0.77 0.37 0.00 0.00 175.52 177.08 1jeq h SER 306 N 1.05 0.76 -0.40 4.18 4.64 -1.98 -3.26 113.55 118.54 1jeq h SER 306 Ca 0.24 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1jeq h SER 306 Cb 0.25 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1jeq h SER 306 CO -0.01 1.25 0.00 0.35 -0.87 0.00 0.00 176.83 177.54 1jeq n THR 307 N -3.91 0.61 -0.53 2.95 -2.24 -1.23 -4.93 114.28 104.99 1jeq n THR 307 Ca -0.06 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1jeq n THR 307 Cb 0.71 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 1jeq n THR 307 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jeq n GLY 308 N 1.29 0.00 3.75 3.38 0.00 -0.14 -4.88 105.19 108.59 1jeq n GLY 308 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1jeq n GLY 308 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jeq s GLY 309 N -1.07 3.07 0.07 -0.02 0.00 -1.21 -4.81 107.32 103.36 1jeq s GLY 309 Ca 0.00 0.56 -0.31 0.00 0.00 0.00 0.00 44.72 44.98 1jeq s GLY 309 CO 0.00 1.14 1.33 -2.27 0.00 0.00 0.00 173.10 173.30 1jeq s LEU 310 N -1.10 4.36 0.09 0.66 2.96 -1.26 -0.62 118.68 123.77 1jeq s LEU 310 Ca 0.40 2.18 -0.24 0.00 -0.22 0.00 0.00 54.13 56.25 1jeq s LEU 310 Cb -0.25 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.79 1jeq s LEU 310 CO 0.31 -0.61 0.73 -0.76 -1.32 0.00 0.00 176.35 174.69 1jeq s LEU 311 N 1.37 4.51 0.14 -0.68 1.43 -0.79 -4.89 118.68 119.77 1jeq s LEU 311 Ca 0.62 1.46 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1jeq s LEU 311 Cb -0.33 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 1jeq s LEU 311 CO 0.29 0.13 0.18 -0.76 0.23 0.00 0.00 176.35 176.42 1jeq s LEU 312 N -0.59 4.01 0.62 1.79 1.43 -1.26 -4.79 118.68 119.89 1jeq s LEU 312 Ca 0.35 0.01 0.23 0.00 -1.03 0.00 0.00 54.13 53.70 1jeq s LEU 312 Cb -0.21 -2.61 1.06 0.00 0.03 0.00 0.00 46.19 44.45 1jeq s LEU 312 CO 0.23 0.08 1.54 1.55 0.23 0.00 0.00 176.35 179.98 1jeq h PRO 313 N 2.49 0.00 -0.28 1.29 0.13 -1.98 0.38 132.00 134.04 1jeq h PRO 313 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jeq h PRO 313 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jeq h PRO 313 CO 0.66 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.30 1jeq n SER 314 N -3.21 2.71 -1.23 1.44 3.41 -1.26 -3.90 113.62 111.59 1jeq n SER 314 Ca 0.11 -1.88 0.10 0.00 -0.26 0.00 0.00 58.87 56.94 1jeq n SER 314 Cb 0.99 -0.18 0.29 0.00 -0.26 0.00 0.00 64.21 65.05 1jeq n SER 314 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jeq n ASP 315 N 1.02 3.84 -3.80 4.04 8.00 0.13 -4.91 116.55 124.86 1jeq n ASP 315 Ca 0.18 -2.06 -0.13 0.00 0.71 0.00 0.00 54.79 53.50 1jeq n ASP 315 Cb 0.49 -0.45 -0.12 0.00 -0.02 0.00 0.00 41.12 41.03 1jeq n ASP 315 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1jeq s THR 316 N -1.11 0.01 0.44 -3.53 -4.23 -1.25 -4.92 115.64 101.04 1jeq s THR 316 Ca 0.44 -0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.96 1jeq s THR 316 Cb 0.24 -0.31 -0.05 0.00 1.34 0.00 0.00 72.50 73.72 1jeq s THR 316 CO 0.29 -0.03 0.11 -0.54 -0.54 0.00 0.00 174.62 173.91 1jeq s LYS 317 N -0.00 2.14 -0.07 3.99 1.02 -1.26 -4.78 119.74 120.77 1jeq s LYS 317 Ca -0.01 -2.04 -0.06 0.00 0.02 0.00 0.00 55.97 53.88 1jeq s LYS 317 Cb -0.02 -1.80 -0.04 0.00 -0.52 0.00 0.00 37.83 35.45 1jeq s LYS 317 CO 0.00 -0.18 0.17 1.03 -0.92 0.00 0.00 175.35 175.45 1jeq s ARG 318 N -3.87 3.46 0.07 1.68 1.81 0.75 -4.95 118.95 117.90 1jeq s ARG 318 Ca 0.32 -0.18 0.02 0.00 -1.72 0.00 0.00 55.73 54.18 1jeq s ARG 318 Cb 0.05 -3.15 -0.03 0.00 -0.45 0.00 0.00 34.95 31.36 1jeq s ARG 318 CO 0.18 0.74 -0.08 0.45 -0.68 0.00 0.00 175.30 175.90 1jeq s SER 319 N -1.37 1.05 -0.13 0.23 0.15 -1.26 -1.24 113.70 111.14 1jeq s SER 319 Ca 0.20 -0.74 -0.20 0.00 0.70 0.00 0.00 55.95 55.92 1jeq s SER 319 Cb -0.12 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.28 1jeq s SER 319 CO 0.10 -0.30 0.50 -1.10 1.20 0.00 0.00 173.24 173.64 1jeq s GLN 320 N -2.49 0.70 0.04 5.44 -0.21 -1.00 -4.99 119.66 117.15 1jeq s GLN 320 Ca -0.01 0.43 0.07 0.00 0.02 0.00 0.00 55.36 55.87 1jeq s GLN 320 Cb -0.04 0.33 -0.02 0.00 1.00 0.00 0.00 33.01 34.28 1jeq s GLN 320 CO -0.01 -0.15 -0.19 0.42 -2.12 0.00 0.00 175.29 173.24 1jeq s ILE 321 N -0.37 1.52 -0.32 1.08 1.01 -1.26 -0.44 121.20 122.43 1jeq s ILE 321 Ca -0.05 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.48 1jeq s ILE 321 Cb -0.03 -1.33 0.11 0.00 0.01 0.00 0.00 42.46 41.22 1jeq s ILE 321 CO 0.03 0.19 0.14 -0.31 0.00 0.00 0.00 174.94 174.99 1jeq s TYR 322 N -0.76 1.14 0.00 3.97 1.51 0.21 -4.97 117.35 118.44 1jeq s TYR 322 Ca 0.06 -1.51 0.00 0.00 -1.01 0.00 0.00 57.07 54.62 1jeq s TYR 322 Cb -0.08 -1.35 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1jeq s TYR 322 CO 0.01 -0.85 0.00 0.41 -1.11 0.00 0.00 175.55 174.02 1jeq n GLY 323 N 4.74 2.49 2.64 0.71 0.00 -1.26 -2.70 105.19 111.81 1jeq n GLY 323 Ca -0.00 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1jeq n GLY 323 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jeq n SER 324 N 8.63 6.40 -3.64 1.61 3.41 -1.26 -4.92 113.62 123.86 1jeq n SER 324 Ca 0.00 -3.79 -0.20 0.00 -0.26 0.00 0.00 58.87 54.62 1jeq n SER 324 Cb 0.00 -0.80 -0.17 0.00 -0.26 0.00 0.00 64.21 62.99 1jeq n SER 324 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1jeq s ARG 325 N -3.83 0.01 -0.14 4.33 6.06 -1.10 -5.14 118.95 119.14 1jeq s ARG 325 Ca 0.52 0.31 -0.07 0.00 -2.50 0.00 0.00 55.73 53.99 1jeq s ARG 325 Cb 0.43 -0.82 -0.04 0.00 0.06 0.00 0.00 34.95 34.59 1jeq s ARG 325 CO -0.26 -0.43 0.10 -1.14 -2.50 0.00 0.00 175.30 171.06 1jeq s GLN 326 N 2.22 3.60 -0.13 5.12 0.74 -1.26 -0.62 119.66 129.32 1jeq s GLN 326 Ca 0.04 -0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.24 1jeq s GLN 326 Cb -0.13 -3.16 0.01 0.00 1.10 0.00 0.00 33.01 30.82 1jeq s GLN 326 CO -0.06 0.58 -0.21 0.42 -0.55 0.00 0.00 175.29 175.47 1jeq s ILE 327 N -0.48 1.95 -0.15 -2.34 1.01 0.42 -4.99 121.20 116.62 1jeq s ILE 327 Ca 0.11 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.82 1jeq s ILE 327 Cb -0.12 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1jeq s ILE 327 CO 0.02 0.53 -0.09 -0.63 0.00 0.00 0.00 174.94 174.77 1jeq s ILE 328 N 0.75 3.33 0.04 2.92 -1.09 -1.26 -2.39 121.20 123.51 1jeq s ILE 328 Ca -0.09 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1jeq s ILE 328 Cb -0.16 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.26 1jeq s ILE 328 CO 0.00 0.50 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.37 1jeq s LEU 329 N 0.50 2.25 0.79 2.97 1.43 -0.37 -4.94 118.68 121.31 1jeq s LEU 329 Ca -0.07 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1jeq s LEU 329 Cb -0.15 -0.19 0.07 0.00 0.03 0.00 0.00 46.19 45.95 1jeq s LEU 329 CO 0.04 -0.19 1.09 -1.61 0.23 0.00 0.00 176.35 175.90 1jeq s GLU 330 N -1.56 2.11 0.22 1.70 0.41 -1.26 -0.18 118.70 120.14 1jeq s GLU 330 Ca -0.09 1.11 -0.08 0.00 -0.41 0.00 0.00 54.97 55.49 1jeq s GLU 330 Cb -0.10 -1.89 0.17 0.00 -1.78 0.00 0.00 34.13 30.54 1jeq s GLU 330 CO 0.00 -1.73 1.82 -0.22 -0.49 0.00 0.00 175.26 174.65 1jeq h LYS 331 N -1.19 1.16 -0.72 1.61 3.64 -1.92 -1.39 116.57 117.76 1jeq h LYS 331 Ca -0.44 -0.15 0.20 0.00 -1.27 0.00 0.00 60.65 58.99 1jeq h LYS 331 Cb 1.24 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1jeq h LYS 331 CO 0.52 0.87 0.52 0.93 -2.27 0.00 0.00 179.45 180.02 1jeq h GLU 332 N 1.15 0.03 0.08 1.90 5.08 -1.99 -0.51 114.58 120.31 1jeq h GLU 332 Ca 0.28 -0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.38 1jeq h GLU 332 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1jeq h GLU 332 CO -0.04 0.02 -1.22 0.93 -1.00 0.00 0.00 179.01 177.70 1jeq h GLU 333 N 0.03 0.18 -0.78 2.33 5.08 -1.61 -1.20 114.58 118.60 1jeq h GLU 333 Ca 0.34 -0.31 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1jeq h GLU 333 Cb 1.34 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.65 1jeq h GLU 333 CO -0.01 1.12 0.51 1.79 -1.00 0.00 0.00 179.01 181.42 1jeq h THR 334 N 0.05 1.05 0.18 1.13 1.35 -0.82 -1.33 112.91 114.51 1jeq h THR 334 Ca -0.11 -0.30 -0.30 0.00 -0.55 0.00 0.00 66.41 65.15 1jeq h THR 334 Cb 1.92 0.11 0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1jeq h THR 334 CO 0.17 0.16 -1.38 -0.33 -0.25 0.00 0.00 175.52 173.89 1jeq h GLU 335 N 0.86 0.38 -0.95 4.72 4.39 -1.50 -3.31 114.58 119.17 1jeq h GLU 335 Ca 0.33 -0.64 0.18 0.00 0.34 0.00 0.00 59.36 59.57 1jeq h GLU 335 Cb 0.21 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 1jeq h GLU 335 CO -0.11 1.30 0.60 1.49 -1.16 0.00 0.00 179.01 181.13 1jeq h GLU 336 N 0.10 0.60 -0.08 2.33 4.81 -0.14 -1.46 114.58 120.74 1jeq h GLU 336 Ca -0.20 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1jeq h GLU 336 Cb 2.06 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.30 1jeq h GLU 336 CO 0.23 0.40 0.00 1.47 -0.73 0.00 0.00 179.01 180.37 1jeq n LEU 337 N -4.61 0.08 -0.00 1.64 -0.00 -0.69 -3.02 117.00 110.39 1jeq n LEU 337 Ca 0.20 -0.04 0.04 0.00 -0.00 0.00 0.00 56.01 56.22 1jeq n LEU 337 Cb 0.60 -0.04 -0.06 0.00 -0.00 0.00 0.00 43.42 43.92 1jeq n LEU 337 CO 0.27 0.02 -0.60 0.29 -0.00 0.00 0.00 177.39 177.37 1jeq n LYS 338 N -0.46 0.26 -1.84 1.47 5.02 -0.55 -5.01 118.16 117.05 1jeq n LYS 338 Ca 0.00 -0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1jeq n LYS 338 Cb 0.02 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1jeq n LYS 338 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jeq s ARG 339 N -2.55 4.17 0.00 1.97 3.52 -1.17 -2.64 118.95 122.26 1jeq s ARG 339 Ca -0.03 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 1jeq s ARG 339 Cb 0.05 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1jeq s ARG 339 CO 0.33 -0.80 0.00 1.19 -0.81 0.00 0.00 175.30 175.21 1jeq n PHE 340 N 6.00 0.00 -2.37 5.12 3.01 -1.26 -4.96 117.46 123.00 1jeq n PHE 340 Ca 0.17 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.35 1jeq n PHE 340 Cb 0.40 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.89 1jeq n PHE 340 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1jeq s ASP 341 N 1.00 5.83 0.57 4.37 1.01 -1.26 -5.07 116.67 123.13 1jeq s ASP 341 Ca 0.00 0.88 -0.07 0.00 0.71 0.00 0.00 52.55 54.07 1jeq s ASP 341 Cb 0.00 -1.95 -0.01 0.00 1.01 0.00 0.00 42.92 41.96 1jeq s ASP 341 CO 0.00 -0.93 0.91 -1.81 0.21 0.00 0.00 175.17 173.55 1jeq s ASP 342 N -4.24 5.91 0.52 0.27 1.01 -1.26 -4.73 116.67 114.15 1jeq s ASP 342 Ca 0.52 0.96 -0.19 0.00 0.71 0.00 0.00 52.55 54.55 1jeq s ASP 342 Cb -0.11 -2.05 -0.10 0.00 1.01 0.00 0.00 42.92 41.68 1jeq s ASP 342 CO 0.46 -0.91 0.45 -2.65 0.21 0.00 0.00 175.17 172.74 1jeq n PRO 343 N -2.56 0.47 0.00 8.23 -0.02 -1.26 -4.80 135.00 135.06 1jeq n PRO 343 Ca 0.04 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1jeq n PRO 343 Cb 0.56 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1jeq n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jeq n GLY 344 N 1.87 0.88 2.85 -1.23 0.00 0.10 -4.70 105.19 104.97 1jeq n GLY 344 Ca 0.11 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 1jeq n GLY 344 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jeq s LEU 345 N 0.00 3.52 -0.05 0.99 1.43 -0.55 -1.06 118.68 122.97 1jeq s LEU 345 Ca 0.00 -2.45 -0.30 0.00 -1.03 0.00 0.00 54.13 50.35 1jeq s LEU 345 Cb 0.00 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1jeq s LEU 345 CO 0.00 -0.31 1.07 -0.04 0.23 0.00 0.00 176.35 177.30 1jeq s MET 346 N 0.52 4.44 0.14 1.70 -1.94 -0.78 -2.50 119.30 120.88 1jeq s MET 346 Ca 0.15 1.52 -0.30 0.00 -1.71 0.00 0.00 55.69 55.34 1jeq s MET 346 Cb -0.22 -3.50 -0.07 0.00 2.01 0.00 0.00 34.83 33.04 1jeq s MET 346 CO -0.06 -0.28 1.19 -1.17 -0.01 0.00 0.00 175.02 174.70 1jeq s LEU 347 N 1.71 4.43 -0.01 -0.03 2.96 -0.85 -0.54 118.68 126.34 1jeq s LEU 347 Ca 0.52 2.15 0.09 0.00 -0.22 0.00 0.00 54.13 56.68 1jeq s LEU 347 Cb -0.22 -3.60 -0.14 0.00 0.50 0.00 0.00 46.19 42.74 1jeq s LEU 347 CO 0.23 -0.40 0.21 0.23 -1.32 0.00 0.00 176.35 175.30 1jeq n MET 348 N 3.00 0.44 -0.50 1.98 2.81 0.20 -4.91 117.12 120.15 1jeq n MET 348 Ca 0.06 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1jeq n MET 348 Cb 0.45 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 1jeq n MET 348 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jeq n GLY 349 N 1.95 0.66 3.23 3.03 0.00 -1.15 -4.97 105.19 107.95 1jeq n GLY 349 Ca -0.02 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 1jeq n GLY 349 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jeq s PHE 350 N -1.92 2.18 -0.04 1.61 0.40 -1.26 -0.14 117.98 118.81 1jeq s PHE 350 Ca 0.00 -0.60 0.04 0.00 -0.60 0.00 0.00 56.93 55.77 1jeq s PHE 350 Cb 0.00 -1.43 -0.00 0.00 0.51 0.00 0.00 43.02 42.10 1jeq s PHE 350 CO 0.00 -0.17 -0.15 0.21 0.70 0.00 0.00 175.22 175.81 1jeq s LYS 351 N -0.20 1.60 0.05 0.44 2.20 -0.23 -4.94 119.74 118.67 1jeq s LYS 351 Ca -0.01 -0.53 -0.34 0.00 -0.36 0.00 0.00 55.97 54.73 1jeq s LYS 351 Cb -0.12 -1.40 -0.13 0.00 -1.51 0.00 0.00 37.83 34.67 1jeq s LYS 351 CO 0.02 0.20 1.70 -0.35 -0.36 0.00 0.00 175.35 176.57 1jeq n PRO 352 N 3.22 2.15 -0.56 4.03 -0.04 -1.26 -0.97 135.00 141.56 1jeq n PRO 352 Ca -0.18 0.78 0.47 0.00 -0.04 0.00 0.00 63.50 64.52 1jeq n PRO 352 Cb 0.53 -2.58 0.80 0.00 -0.04 0.00 0.00 33.50 32.21 1jeq n PRO 352 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jeq h LEU 353 N 7.29 0.00 -0.97 1.53 3.38 -1.71 -0.95 115.31 123.89 1jeq h LEU 353 Ca -0.46 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.66 1jeq h LEU 353 Cb 1.26 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.92 1jeq h LEU 353 CO 0.91 0.00 0.58 0.58 0.09 0.00 0.00 178.44 180.60 1jeq h VAL 354 N 0.00 0.79 0.00 1.22 2.07 -1.88 -1.37 116.25 117.08 1jeq h VAL 354 Ca 0.80 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 68.04 1jeq h VAL 354 Cb 3.23 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1jeq h VAL 354 CO -0.01 0.15 0.00 -0.07 0.02 0.00 0.00 177.57 177.66 1jeq h LEU 355 N 0.82 0.00 -9.36 2.57 3.38 -1.53 -3.41 115.31 107.77 1jeq h LEU 355 Ca 0.52 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.94 1jeq h LEU 355 Cb 0.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1jeq h LEU 355 CO -0.33 0.00 0.20 -0.76 0.09 0.00 0.00 178.44 177.63 1jeq s LEU 356 N -5.05 4.32 -0.10 1.67 1.43 -0.52 -5.03 118.68 115.40 1jeq s LEU 356 Ca 0.02 1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1jeq s LEU 356 Cb 0.09 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 1jeq s LEU 356 CO 0.40 -0.18 -0.07 -0.54 0.23 0.00 0.00 176.35 176.19 1jeq s LYS 357 N 0.98 3.05 0.25 1.70 1.02 -1.26 -5.02 119.74 120.46 1jeq s LYS 357 Ca 0.42 -0.55 -0.03 0.00 0.02 0.00 0.00 55.97 55.83 1jeq s LYS 357 Cb -0.19 -2.68 0.46 0.00 -0.52 0.00 0.00 37.83 34.91 1jeq s LYS 357 CO 0.21 0.51 1.79 -0.22 -0.92 0.00 0.00 175.35 176.72 1jeq h LYS 358 N 5.76 0.70 -0.03 1.68 3.64 -1.95 -0.17 116.57 126.20 1jeq h LYS 358 Ca -0.42 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1jeq h LYS 358 Cb 1.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1jeq h LYS 358 CO 0.55 0.47 0.00 -2.39 -2.27 0.00 0.00 179.45 175.81 1jeq n HIS 359 N -4.79 0.05 -1.29 1.91 1.44 -1.26 -3.64 115.22 107.64 1jeq n HIS 359 Ca 0.15 -0.02 -0.29 0.00 -2.01 0.00 0.00 57.72 55.54 1jeq n HIS 359 Cb 0.35 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.59 1jeq n HIS 359 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1jeq n HIS 360 N -0.42 3.14 -2.37 -1.40 8.25 -0.07 -4.97 115.22 117.37 1jeq n HIS 360 Ca 0.02 -2.46 -0.40 0.00 -0.26 0.00 0.00 57.72 54.63 1jeq n HIS 360 Cb 0.04 -1.20 -0.03 0.00 1.12 0.00 0.00 29.99 29.91 1jeq n HIS 360 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1jeq s TYR 361 N -3.57 3.34 0.00 4.41 5.04 -1.24 -4.52 117.35 120.81 1jeq s TYR 361 Ca 0.61 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.85 1jeq s TYR 361 Cb 0.49 -3.37 0.00 0.00 0.35 0.00 0.00 41.96 39.43 1jeq s TYR 361 CO 0.05 -0.97 0.00 -0.11 -1.34 0.00 0.00 175.55 173.18 1jeq n LEU 362 N 0.77 1.71 -3.50 6.97 7.94 -1.26 -4.95 117.00 124.68 1jeq n LEU 362 Ca 0.01 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.78 1jeq n LEU 362 Cb 0.45 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.36 1jeq n LEU 362 CO 0.53 0.26 0.53 0.00 -1.11 0.00 0.00 177.39 177.61 1jeq s ARG 363 N -1.68 1.00 0.45 1.96 1.70 -1.26 -5.11 118.95 116.00 1jeq s ARG 363 Ca 0.00 -0.07 -0.20 0.00 -0.47 0.00 0.00 55.73 54.99 1jeq s ARG 363 Cb 0.00 0.46 -0.15 0.00 -0.57 0.00 0.00 34.95 34.69 1jeq s ARG 363 CO 0.00 -0.38 -0.01 -0.35 -1.08 0.00 0.00 175.30 173.48 1jeq n PRO 364 N 0.30 0.00 -2.96 3.89 -0.04 -1.26 -4.63 135.00 130.29 1jeq n PRO 364 Ca -0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.05 1jeq n PRO 364 Cb 0.60 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.05 1jeq n PRO 364 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1jeq s SER 365 N -1.00 6.29 0.47 3.54 0.01 -1.26 -4.80 113.70 116.95 1jeq s SER 365 Ca 0.58 0.73 0.06 0.00 1.31 0.00 0.00 55.95 58.64 1jeq s SER 365 Cb -0.57 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 1jeq s SER 365 CO 0.64 -0.45 0.31 -0.76 0.41 0.00 0.00 173.24 173.39 1jeq s LEU 366 N -4.50 2.99 -0.08 2.44 1.43 -0.59 -4.58 118.68 115.79 1jeq s LEU 366 Ca 0.44 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.50 1jeq s LEU 366 Cb -0.10 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.65 1jeq s LEU 366 CO 0.40 -0.80 -0.23 0.12 0.23 0.00 0.00 176.35 176.08 1jeq s PHE 367 N -2.65 2.37 -0.20 0.29 5.36 0.34 -0.82 117.98 122.67 1jeq s PHE 367 Ca 0.39 -0.86 -0.03 0.00 -0.96 0.00 0.00 56.93 55.46 1jeq s PHE 367 Cb -0.00 -1.58 -0.01 0.00 -0.34 0.00 0.00 43.02 41.09 1jeq s PHE 367 CO 0.22 -0.32 -0.06 0.08 -1.46 0.00 0.00 175.22 173.68 1jeq s VAL 368 N 0.18 3.31 0.10 3.12 1.01 0.12 -0.28 120.40 127.95 1jeq s VAL 368 Ca -0.12 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1jeq s VAL 368 Cb -0.16 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1jeq s VAL 368 CO 0.06 0.45 -0.15 -0.47 0.00 0.00 0.00 175.10 174.99 1jeq s TYR 369 N 1.23 1.36 0.53 5.22 5.04 -0.99 -1.70 117.35 128.05 1jeq s TYR 369 Ca 0.03 -0.49 -0.20 0.00 -2.44 0.00 0.00 57.07 53.96 1jeq s TYR 369 Cb -0.14 -0.74 -0.06 0.00 0.35 0.00 0.00 41.96 41.37 1jeq s TYR 369 CO -0.02 0.11 1.14 -1.25 -1.34 0.00 0.00 175.55 174.18 1jeq s PRO 370 N -2.14 3.41 -0.64 4.97 0.04 -1.26 0.25 135.00 139.63 1jeq s PRO 370 Ca 0.03 1.64 0.06 0.00 0.04 0.00 0.00 61.00 62.77 1jeq s PRO 370 Cb -0.08 -2.06 0.24 0.00 0.04 0.00 0.00 34.50 32.65 1jeq s PRO 370 CO 0.03 -0.81 0.72 -1.91 0.04 0.00 0.00 177.00 175.07 1jeq n GLU 371 N -1.19 2.45 -0.12 4.56 4.07 -0.14 -4.52 120.64 125.75 1jeq n GLU 371 Ca 0.11 -4.64 0.26 0.00 -0.06 0.00 0.00 57.16 52.83 1jeq n GLU 371 Cb 0.51 -2.25 0.56 0.00 -0.06 0.00 0.00 31.44 30.19 1jeq n GLU 371 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1jeq h GLU 372 N 4.28 0.00 -0.75 5.31 4.57 -1.80 -2.53 114.58 123.67 1jeq h GLU 372 Ca 0.19 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1jeq h GLU 372 Cb 0.67 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 1jeq h GLU 372 CO 0.82 0.00 0.34 0.66 -1.18 0.00 0.00 179.01 179.66 1jeq h SER 373 N 0.00 0.98 0.00 1.04 4.64 -1.95 -3.29 113.55 114.97 1jeq h SER 373 Ca 0.40 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1jeq h SER 373 Cb 2.32 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 1jeq h SER 373 CO -0.00 0.84 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.61 1jeq h LEU 374 N 1.07 0.00 -8.21 5.97 3.38 -1.84 -3.44 115.31 112.24 1jeq h LEU 374 Ca 0.26 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.55 1jeq h LEU 374 Cb 0.13 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.58 1jeq h LEU 374 CO -0.03 0.43 -0.67 -0.69 0.09 0.00 0.00 178.44 177.57 1jeq s VAL 375 N -1.57 3.40 0.11 1.22 1.01 -1.25 -5.06 120.40 118.26 1jeq s VAL 375 Ca -0.03 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 1jeq s VAL 375 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 1jeq s VAL 375 CO 0.05 0.03 1.05 -0.63 0.00 0.00 0.00 175.10 175.60 1jeq s ILE 376 N 1.38 4.27 0.00 2.22 1.01 -1.24 -3.29 121.20 125.56 1jeq s ILE 376 Ca -0.01 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.46 1jeq s ILE 376 Cb -0.18 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1jeq s ILE 376 CO -0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1jeq n GLY 377 N 2.46 1.93 0.16 6.18 0.00 -1.26 -4.99 105.19 109.65 1jeq n GLY 377 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1jeq n GLY 377 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jeq h SER 378 N 0.00 -0.29 -0.85 1.61 0.02 -1.90 -1.42 113.55 110.71 1jeq h SER 378 Ca 0.00 0.03 0.25 0.00 -0.84 0.00 0.00 61.79 61.22 1jeq h SER 378 Cb 0.00 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1jeq h SER 378 CO 0.00 -0.18 0.76 0.28 -1.14 0.00 0.00 176.83 176.56 1jeq h SER 379 N -0.27 0.00 0.05 3.07 0.02 -1.90 0.32 113.55 114.84 1jeq h SER 379 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jeq h SER 379 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1jeq h SER 379 CO -0.01 0.00 -0.02 0.74 -1.14 0.00 0.00 176.83 176.39 1jeq h THR 380 N 0.00 0.00 -0.60 -2.27 2.02 -1.70 -2.48 112.91 107.88 1jeq h THR 380 Ca 0.40 -0.62 0.12 0.00 0.77 0.00 0.00 66.41 67.09 1jeq h THR 380 Cb 1.93 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 68.23 1jeq h THR 380 CO -0.00 0.00 -0.11 0.25 0.37 0.00 0.00 175.52 176.03 1jeq h LEU 381 N -0.68 -0.48 -0.19 2.58 6.46 -0.73 -0.18 115.31 122.09 1jeq h LEU 381 Ca -0.01 0.17 0.05 0.00 -0.12 0.00 0.00 57.88 57.98 1jeq h LEU 381 Cb 0.05 0.34 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1jeq h LEU 381 CO 0.01 -0.18 -0.20 0.15 -0.62 0.00 0.00 178.44 177.60 1jeq h PHE 382 N 0.03 -0.52 -0.97 1.25 3.57 -0.57 -1.48 116.94 118.25 1jeq h PHE 382 Ca 0.30 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.93 1jeq h PHE 382 Cb 0.47 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 39.39 1jeq h PHE 382 CO -0.46 -0.28 0.61 1.03 -2.23 0.00 0.00 178.31 176.98 1jeq h SER 383 N -0.22 0.91 -0.24 0.41 0.87 -0.59 0.17 113.55 114.86 1jeq h SER 383 Ca 0.12 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1jeq h SER 383 Cb 0.40 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1jeq h SER 383 CO -0.32 0.52 0.09 0.00 -0.53 0.00 0.00 176.83 176.59 1jeq h ALA 384 N 1.50 0.32 0.11 6.23 0.00 -0.40 -1.25 119.26 125.77 1jeq h ALA 384 Ca 0.46 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1jeq h ALA 384 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jeq h ALA 384 CO -0.23 -0.07 -0.13 -0.07 0.00 0.00 0.00 179.25 178.75 1jeq h LEU 385 N 0.24 -0.34 -1.58 0.00 3.38 -0.53 0.74 115.31 117.22 1jeq h LEU 385 Ca 0.08 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1jeq h LEU 385 Cb 0.21 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1jeq h LEU 385 CO -0.00 -0.19 0.43 0.25 0.09 0.00 0.00 178.44 179.01 1jeq h LEU 386 N -0.27 0.43 -0.21 1.67 5.85 -0.85 0.30 115.31 122.23 1jeq h LEU 386 Ca 0.01 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.53 1jeq h LEU 386 Cb 0.27 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.23 1jeq h LEU 386 CO -0.05 0.26 -0.70 0.40 -0.34 0.00 0.00 178.44 178.01 1jeq h ILE 387 N 0.48 1.27 0.03 4.05 2.04 -0.38 -2.91 117.51 122.10 1jeq h ILE 387 Ca 0.29 -1.88 -0.22 0.00 1.00 0.00 0.00 64.86 64.05 1jeq h ILE 387 Cb 0.52 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1jeq h ILE 387 CO -0.09 0.60 -0.99 0.11 0.00 0.00 0.00 178.15 177.79 1jeq h LYS 388 N 0.60 0.24 -0.19 2.37 1.79 0.40 -2.63 116.57 119.14 1jeq h LYS 388 Ca -0.03 -0.30 -0.10 0.00 -2.18 0.00 0.00 60.65 58.04 1jeq h LYS 388 Cb 1.32 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.05 1jeq h LYS 388 CO 0.15 1.05 -0.32 0.00 -1.08 0.00 0.00 179.45 179.25 1jeq h LEU 390 N 0.34 0.88 -0.45 0.00 3.38 -1.53 0.18 115.31 118.11 1jeq h LEU 390 Ca 0.04 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 1jeq h LEU 390 Cb 0.73 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1jeq h LEU 390 CO 0.06 1.16 0.14 -0.33 0.09 0.00 0.00 178.44 179.56 1jeq h GLU 391 N 0.61 0.70 -0.01 1.13 5.08 -1.12 -3.05 114.58 117.92 1jeq h GLU 391 Ca 0.05 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1jeq h GLU 391 Cb 0.91 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1jeq h GLU 391 CO 0.08 0.68 -0.10 1.63 -1.00 0.00 0.00 179.01 180.30 1jeq n LYS 392 N -4.55 1.23 -3.56 2.33 5.02 0.09 -4.96 118.16 113.76 1jeq n LYS 392 Ca 0.01 -0.67 -0.27 0.00 -2.02 0.00 0.00 58.31 55.36 1jeq n LYS 392 Cb 0.19 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.76 1jeq n LYS 392 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jeq n GLU 393 N -0.30 -1.47 -3.86 1.97 1.02 0.52 -4.90 120.64 113.62 1jeq n GLU 393 Ca 0.16 0.58 -0.11 0.00 -0.02 0.00 0.00 57.16 57.77 1jeq n GLU 393 Cb 0.33 -4.56 -0.11 0.00 -0.02 0.00 0.00 31.44 27.08 1jeq n GLU 393 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jeq s VAL 394 N -3.43 0.05 0.17 2.62 0.11 -0.60 -1.92 120.40 117.40 1jeq s VAL 394 Ca 0.46 -0.39 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1jeq s VAL 394 Cb -0.14 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 1jeq s VAL 394 CO 0.83 -0.21 0.09 0.00 -3.33 0.00 0.00 175.10 172.47 1jeq s ALA 395 N -0.70 3.44 -0.26 1.54 0.00 -0.14 -4.55 121.76 121.08 1jeq s ALA 395 Ca -0.08 -1.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 1jeq s ALA 395 Cb -0.05 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1jeq s ALA 395 CO 0.01 0.50 0.29 0.00 0.00 0.00 0.00 175.76 176.56 1jeq s ALA 396 N -1.75 3.56 -0.19 0.00 0.00 -0.58 -1.06 121.76 121.74 1jeq s ALA 396 Ca 0.30 -0.87 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 1jeq s ALA 396 Cb -0.10 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1jeq s ALA 396 CO 0.22 -0.52 0.84 -1.17 0.00 0.00 0.00 175.76 175.13 1jeq s LEU 397 N 1.75 4.15 0.10 0.00 2.96 0.81 -0.52 118.68 127.93 1jeq s LEU 397 Ca 0.12 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.23 1jeq s LEU 397 Cb -0.15 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 1jeq s LEU 397 CO 0.09 -0.44 -0.11 0.00 -1.32 0.00 0.00 176.35 174.57 1jeq s ARG 399 N -2.73 3.03 0.03 0.00 3.52 0.30 -0.52 118.95 122.58 1jeq s ARG 399 Ca 0.06 -1.32 -0.22 0.00 -0.13 0.00 0.00 55.73 54.11 1jeq s ARG 399 Cb -0.04 -4.20 -0.06 0.00 -1.56 0.00 0.00 34.95 29.10 1jeq s ARG 399 CO 0.01 -1.28 0.67 -0.47 -0.81 0.00 0.00 175.30 173.43 1jeq s TYR 400 N 2.12 3.73 -0.24 5.12 5.04 0.63 -1.86 117.35 131.90 1jeq s TYR 400 Ca 0.08 1.34 -0.04 0.00 -2.44 0.00 0.00 57.07 56.01 1jeq s TYR 400 Cb -0.24 -2.69 0.09 0.00 0.35 0.00 0.00 41.96 39.46 1jeq s TYR 400 CO 0.07 0.35 0.13 0.99 -1.34 0.00 0.00 175.55 175.75 1jeq s THR 401 N -0.28 -0.12 0.00 4.34 2.01 -0.22 -1.38 115.64 119.98 1jeq s THR 401 Ca 0.34 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1jeq s THR 401 Cb -0.20 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1jeq s THR 401 CO 0.20 -0.49 0.29 -2.65 -0.69 0.00 0.00 174.62 171.28 1jeq n PRO 402 N 5.27 0.00 -1.79 4.92 -0.02 -1.26 -0.72 135.00 141.40 1jeq n PRO 402 Ca -0.06 0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.39 1jeq n PRO 402 Cb 0.46 -0.79 0.01 0.00 -0.02 0.00 0.00 33.50 33.16 1jeq n PRO 402 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1jeq n ARG 403 N -0.32 1.03 -1.63 -0.52 1.85 -1.26 -4.35 116.66 111.46 1jeq n ARG 403 Ca 0.00 -0.92 -0.33 0.00 -1.00 0.00 0.00 57.85 55.60 1jeq n ARG 403 Cb 0.00 -0.00 0.06 0.00 -1.05 0.00 0.00 32.46 31.47 1jeq n ARG 403 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1jeq s ARG 404 N -2.71 2.62 -1.15 2.89 1.81 -1.26 -4.19 118.95 116.96 1jeq s ARG 404 Ca 0.14 1.39 -0.13 0.00 -1.72 0.00 0.00 55.73 55.41 1jeq s ARG 404 Cb -0.01 -1.93 -0.02 0.00 -0.45 0.00 0.00 34.95 32.54 1jeq s ARG 404 CO 0.09 -1.39 0.80 0.09 -0.68 0.00 0.00 175.30 174.21 1jeq n ASN 405 N -2.65 -4.87 -3.71 0.23 3.02 -1.26 -5.02 115.26 101.00 1jeq n ASN 405 Ca 0.10 -0.90 -0.12 0.00 -0.03 0.00 0.00 54.58 53.63 1jeq n ASN 405 Cb 0.52 -3.97 -0.13 0.00 -0.61 0.00 0.00 39.78 35.59 1jeq n ASN 405 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jeq s ILE 406 N -3.49 -0.10 0.43 2.41 1.01 -1.23 -4.54 121.20 115.69 1jeq s ILE 406 Ca 0.38 0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.96 1jeq s ILE 406 Cb -0.11 -0.44 -0.11 0.00 0.01 0.00 0.00 42.46 41.81 1jeq s ILE 406 CO 0.82 0.06 0.84 -2.65 0.00 0.00 0.00 174.94 174.01 1jeq n PRO 407 N 4.41 1.02 -1.76 2.79 -0.02 -1.08 -4.46 135.00 135.90 1jeq n PRO 407 Ca -0.22 0.37 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 1jeq n PRO 407 Cb 0.53 -1.85 0.07 0.00 -0.02 0.00 0.00 33.50 32.23 1jeq n PRO 407 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jeq s PRO 408 N -1.91 2.39 -0.01 0.52 0.04 -1.26 -4.86 135.00 129.91 1jeq s PRO 408 Ca 0.64 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1jeq s PRO 408 Cb -0.57 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1jeq s PRO 408 CO 0.56 -1.36 0.01 -0.47 0.04 0.00 0.00 177.00 175.78 1jeq s TYR 409 N -3.32 0.09 -0.02 0.56 5.04 -0.48 -4.96 117.35 114.26 1jeq s TYR 409 Ca 0.60 0.03 -0.29 0.00 -2.44 0.00 0.00 57.07 54.97 1jeq s TYR 409 Cb -0.12 -0.15 -0.03 0.00 0.35 0.00 0.00 41.96 42.01 1jeq s TYR 409 CO 0.52 -0.04 0.94 -0.06 -1.34 0.00 0.00 175.55 175.57 1jeq s PHE 410 N 0.45 3.64 0.31 4.97 0.40 -1.26 -0.27 117.98 126.22 1jeq s PHE 410 Ca -0.04 1.63 0.06 0.00 -0.60 0.00 0.00 56.93 57.98 1jeq s PHE 410 Cb -0.06 -3.08 -0.06 0.00 0.51 0.00 0.00 43.02 40.33 1jeq s PHE 410 CO -0.01 -0.01 -0.03 0.14 0.70 0.00 0.00 175.22 176.01 1jeq s VAL 411 N 1.07 1.64 -0.15 -0.44 -7.23 0.32 -2.07 120.40 113.54 1jeq s VAL 411 Ca 0.50 -2.09 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1jeq s VAL 411 Cb -0.20 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.14 1jeq s VAL 411 CO 0.26 -0.19 -0.19 0.00 -0.31 0.00 0.00 175.10 174.67 1jeq s ALA 412 N -3.00 2.37 -0.59 1.32 0.00 0.31 -1.64 121.76 120.54 1jeq s ALA 412 Ca 0.32 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1jeq s ALA 412 Cb 0.05 -1.13 0.10 0.00 0.00 0.00 0.00 23.12 22.14 1jeq s ALA 412 CO 0.14 -0.10 0.71 -0.51 0.00 0.00 0.00 175.76 176.00 1jeq s LEU 413 N 0.92 5.27 -0.18 0.00 1.43 0.32 0.17 118.68 126.60 1jeq s LEU 413 Ca -0.04 -1.34 -0.22 0.00 -1.03 0.00 0.00 54.13 51.50 1jeq s LEU 413 Cb -0.15 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 1jeq s LEU 413 CO -0.03 -1.11 0.68 -0.69 0.23 0.00 0.00 176.35 175.43 1jeq s VAL 414 N 2.78 4.99 0.26 -1.59 1.01 0.80 -1.53 120.40 127.12 1jeq s VAL 414 Ca 0.13 1.30 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 1jeq s VAL 414 Cb -0.23 -3.99 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1jeq s VAL 414 CO 0.07 0.10 1.61 -0.81 0.00 0.00 0.00 175.10 176.07 1jeq n PRO 415 N 5.02 2.64 -3.82 2.72 -0.04 -1.26 -0.18 135.00 140.08 1jeq n PRO 415 Ca -0.00 0.94 -0.28 0.00 -0.04 0.00 0.00 63.50 64.12 1jeq n PRO 415 Cb 0.50 -2.73 -0.16 0.00 -0.04 0.00 0.00 33.50 31.06 1jeq n PRO 415 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1jeq s GLN 416 N -0.07 1.05 0.36 0.54 0.74 0.41 -4.85 119.66 117.85 1jeq s GLN 416 Ca 0.67 -0.52 -0.25 0.00 0.05 0.00 0.00 55.36 55.31 1jeq s GLN 416 Cb -0.52 -2.09 -0.09 0.00 1.10 0.00 0.00 33.01 31.41 1jeq s GLN 416 CO 0.45 -0.55 1.01 -2.00 -0.55 0.00 0.00 175.29 173.64 1jeq s GLU 417 N 1.71 4.38 0.50 1.67 2.12 -1.26 -1.92 118.70 125.90 1jeq s GLU 417 Ca -0.01 1.45 -0.21 0.00 0.36 0.00 0.00 54.97 56.57 1jeq s GLU 417 Cb -0.17 -2.70 -0.07 0.00 0.26 0.00 0.00 34.13 31.46 1jeq s GLU 417 CO -0.07 0.07 1.13 -2.00 -0.54 0.00 0.00 175.26 173.84 1jeq s GLU 418 N -2.24 3.58 -0.10 4.30 2.12 -1.26 -4.69 118.70 120.42 1jeq s GLU 418 Ca 0.54 1.63 -0.05 0.00 0.36 0.00 0.00 54.97 57.45 1jeq s GLU 418 Cb -0.21 -2.17 0.04 0.00 0.26 0.00 0.00 34.13 32.05 1jeq s GLU 418 CO 0.27 -0.67 0.22 -2.00 -0.54 0.00 0.00 175.26 172.54 1jeq s GLU 419 N -3.04 0.19 0.13 4.30 2.12 -0.48 -4.98 118.70 116.93 1jeq s GLU 419 Ca 0.68 0.48 0.11 0.00 0.36 0.00 0.00 54.97 56.60 1jeq s GLU 419 Cb -0.24 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 1jeq s GLU 419 CO 0.29 -0.16 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.09 1jeq s LEU 420 N 1.17 2.40 0.00 2.70 1.43 -1.26 -1.20 118.68 123.92 1jeq s LEU 420 Ca -0.09 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1jeq s LEU 420 Cb -0.10 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1jeq s LEU 420 CO -0.07 0.17 0.00 -0.90 0.23 0.00 0.00 176.35 175.78 1jeq n ASP 421 N 0.83 0.00 0.13 2.29 5.68 -0.76 -4.89 116.55 119.85 1jeq n ASP 421 Ca -0.17 -0.51 0.03 0.00 -0.50 0.00 0.00 54.79 53.64 1jeq n ASP 421 Cb 0.53 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.94 1jeq n ASP 421 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 1jeq h ASP 422 N 0.00 0.20 -0.23 -1.12 2.03 -2.02 -1.74 116.42 113.55 1jeq h ASP 422 Ca 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 1jeq h ASP 422 Cb 0.00 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 1jeq h ASP 422 CO 0.00 0.32 0.00 0.00 -1.03 0.00 0.00 179.24 178.53 1jeq n GLN 423 N -4.32 1.55 -1.19 4.15 1.13 -1.26 -4.87 117.38 112.58 1jeq n GLN 423 Ca -0.01 -0.85 -0.06 0.00 -1.94 0.00 0.00 57.00 54.14 1jeq n GLN 423 Cb 0.24 -1.20 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 1jeq n GLN 423 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1jeq n LYS 424 N 0.18 -1.18 -2.49 -1.09 4.76 -0.65 -1.92 118.16 115.77 1jeq n LYS 424 Ca 0.09 0.64 -0.41 0.00 -2.87 0.00 0.00 58.31 55.75 1jeq n LYS 424 Cb 0.21 -4.69 -0.04 0.00 -1.84 0.00 0.00 35.03 28.67 1jeq n LYS 424 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1jeq s ILE 425 N -1.88 3.98 -0.64 -0.18 1.01 -1.26 -4.74 121.20 117.49 1jeq s ILE 425 Ca 0.00 1.58 -0.27 0.00 0.00 0.00 0.00 60.65 61.95 1jeq s ILE 425 Cb 0.00 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.47 1jeq s ILE 425 CO 0.00 0.21 1.46 -1.58 0.00 0.00 0.00 174.94 175.03 1jeq s GLN 426 N 0.22 3.11 0.05 2.79 0.74 -1.26 -1.82 119.66 123.49 1jeq s GLN 426 Ca 0.53 0.23 -0.17 0.00 0.05 0.00 0.00 55.36 56.00 1jeq s GLN 426 Cb -0.29 -4.20 -0.19 0.00 1.10 0.00 0.00 33.01 29.43 1jeq s GLN 426 CO 0.33 -2.19 1.22 0.28 -0.55 0.00 0.00 175.29 174.37 1jeq h VAL 427 N 6.36 1.36 -3.25 1.34 2.07 -1.50 -3.44 116.25 119.19 1jeq h VAL 427 Ca -0.27 -1.90 -0.48 0.00 0.82 0.00 0.00 66.70 64.87 1jeq h VAL 427 Cb 1.09 2.24 -0.39 0.00 -1.52 0.00 0.00 31.29 32.72 1jeq h VAL 427 CO 1.22 0.57 -0.77 -0.89 0.02 0.00 0.00 177.57 177.73 1jeq s THR 428 N -3.60 0.48 0.99 2.57 2.01 -1.02 -5.00 115.64 112.08 1jeq s THR 428 Ca -0.12 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.55 1jeq s THR 428 Cb 0.06 -0.79 0.19 0.00 0.01 0.00 0.00 72.50 71.97 1jeq s THR 428 CO 0.84 0.06 1.08 -2.16 -0.69 0.00 0.00 174.62 173.75 1jeq s PRO 429 N 1.91 0.46 0.20 4.92 0.04 -1.26 -1.39 135.00 139.88 1jeq s PRO 429 Ca 0.02 0.76 -0.09 0.00 0.04 0.00 0.00 61.00 61.74 1jeq s PRO 429 Cb -0.14 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 1jeq s PRO 429 CO -0.07 -2.77 0.51 -1.25 0.04 0.00 0.00 177.00 173.46 1jeq s PRO 430 N -4.82 3.79 0.00 0.56 0.04 -1.26 -4.12 135.00 129.18 1jeq s PRO 430 Ca 0.65 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1jeq s PRO 430 Cb -0.20 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1jeq s PRO 430 CO 0.59 0.37 0.00 0.41 0.04 0.00 0.00 177.00 178.41 1jeq n GLY 431 N 0.04 0.79 3.34 0.56 0.00 -0.81 -4.91 105.19 104.21 1jeq n GLY 431 Ca -0.01 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 1jeq n GLY 431 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jeq s PHE 432 N -2.88 2.53 -0.30 1.61 0.40 -0.69 -0.44 117.98 118.20 1jeq s PHE 432 Ca 0.00 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.59 1jeq s PHE 432 Cb 0.00 -1.62 -0.00 0.00 0.51 0.00 0.00 43.02 41.91 1jeq s PHE 432 CO 0.00 -0.07 0.77 -1.14 0.70 0.00 0.00 175.22 175.48 1jeq s GLN 433 N -0.34 3.97 -0.41 0.44 0.74 0.75 0.15 119.66 124.96 1jeq s GLN 433 Ca 0.02 0.57 -0.26 0.00 0.05 0.00 0.00 55.36 55.74 1jeq s GLN 433 Cb -0.12 -3.72 0.02 0.00 1.10 0.00 0.00 33.01 30.28 1jeq s GLN 433 CO 0.02 -0.66 0.94 -1.17 -0.55 0.00 0.00 175.29 173.88 1jeq s LEU 434 N 2.91 3.97 -0.19 3.68 0.20 -0.00 -0.14 118.68 129.11 1jeq s LEU 434 Ca 0.32 0.42 -0.02 0.00 0.69 0.00 0.00 54.13 55.54 1jeq s LEU 434 Cb -0.14 -3.27 -0.01 0.00 -0.43 0.00 0.00 46.19 42.35 1jeq s LEU 434 CO 0.12 -0.95 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.44 1jeq s VAL 435 N 3.65 3.07 0.26 1.68 1.01 0.13 -1.54 120.40 128.65 1jeq s VAL 435 Ca 0.39 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 1jeq s VAL 435 Cb -0.11 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 1jeq s VAL 435 CO 0.22 0.47 1.11 -0.36 0.00 0.00 0.00 175.10 176.55 1jeq s PHE 436 N 1.10 3.55 -0.02 5.22 0.40 -1.26 0.11 117.98 127.08 1jeq s PHE 436 Ca 0.01 1.66 0.03 0.00 -0.60 0.00 0.00 56.93 58.02 1jeq s PHE 436 Cb -0.15 -3.31 -0.03 0.00 0.51 0.00 0.00 43.02 40.05 1jeq s PHE 436 CO -0.02 -0.65 -0.09 -0.51 0.70 0.00 0.00 175.22 174.65 1jeq s LEU 437 N -1.27 3.07 0.49 -0.37 1.43 -0.88 -4.40 118.68 116.75 1jeq s LEU 437 Ca 0.46 -0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.24 1jeq s LEU 437 Cb -0.32 -1.72 -0.09 0.00 0.03 0.00 0.00 46.19 44.09 1jeq s LEU 437 CO 0.41 0.32 0.99 -2.16 0.23 0.00 0.00 176.35 176.13 1jeq s PRO 438 N -1.13 3.97 0.65 1.29 0.04 -1.26 -4.60 135.00 133.96 1jeq s PRO 438 Ca 0.15 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.24 1jeq s PRO 438 Cb -0.11 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.35 1jeq s PRO 438 CO 0.04 -0.26 0.94 -0.06 0.04 0.00 0.00 177.00 177.70 1jeq s PHE 439 N -2.37 2.85 0.29 0.56 0.40 -1.26 -4.91 117.98 113.55 1jeq s PHE 439 Ca 0.61 0.27 0.04 0.00 -0.60 0.00 0.00 56.93 57.25 1jeq s PHE 439 Cb -0.11 -3.05 0.68 0.00 0.51 0.00 0.00 43.02 41.05 1jeq s PHE 439 CO 0.24 -1.25 1.78 0.00 0.70 0.00 0.00 175.22 176.69 1jeq h ALA 440 N -0.38 1.58 0.00 5.36 0.00 -1.97 0.40 119.26 124.24 1jeq h ALA 440 Ca -0.43 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jeq h ALA 440 Cb 1.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1jeq h ALA 440 CO 0.57 -0.03 -0.01 -0.44 0.00 0.00 0.00 179.25 179.34 1jeq h ASP 441 N 0.76 0.00 0.97 0.00 5.19 -2.04 -2.08 116.42 119.23 1jeq h ASP 441 Ca 0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 1jeq h ASP 441 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1jeq h ASP 441 CO -0.37 0.01 -0.41 0.47 -3.12 0.00 0.00 179.24 175.82 1jeq n ASP 442 N -3.23 0.64 -4.81 6.45 8.00 0.13 -4.80 116.55 118.93 1jeq n ASP 442 Ca -0.02 0.21 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 1jeq n ASP 442 Cb 0.13 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 1jeq n ASP 442 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1jeq s LYS 443 N -3.12 4.24 -0.29 -1.24 1.02 -0.78 -4.97 119.74 114.60 1jeq s LYS 443 Ca 0.08 0.79 0.01 0.00 0.02 0.00 0.00 55.97 56.88 1jeq s LYS 443 Cb 0.14 -3.18 0.08 0.00 -0.52 0.00 0.00 37.83 34.36 1jeq s LYS 443 CO 0.67 0.59 0.02 1.03 -0.92 0.00 0.00 175.35 176.75 1jeq s ARG 444 N -1.28 1.34 0.86 1.68 3.00 -1.26 -5.01 118.95 118.28 1jeq s ARG 444 Ca 0.32 -1.33 -0.11 0.00 0.00 0.00 0.00 55.73 54.62 1jeq s ARG 444 Cb -0.19 -2.64 0.11 0.00 0.00 0.00 0.00 34.95 32.22 1jeq s ARG 444 CO 0.20 -0.82 1.10 0.21 0.00 0.00 0.00 175.30 176.00 1jeq s LYS 445 N 1.28 1.53 -0.02 3.54 2.20 -1.26 -5.05 119.74 121.96 1jeq s LYS 445 Ca 0.04 1.21 0.02 0.00 -0.36 0.00 0.00 55.97 56.88 1jeq s LYS 445 Cb -0.18 -1.81 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 1jeq s LYS 445 CO -0.12 -2.16 -0.06 -1.64 -0.36 0.00 0.00 175.35 171.01 1jeq s MET 446 N -4.81 0.63 0.76 4.03 -1.94 -1.26 -5.14 119.30 111.58 1jeq s MET 446 Ca 0.64 -0.18 -0.11 0.00 -1.71 0.00 0.00 55.69 54.32 1jeq s MET 446 Cb -0.19 -0.63 0.05 0.00 2.01 0.00 0.00 34.83 36.06 1jeq s MET 446 CO 0.57 0.06 1.08 -1.25 -0.01 0.00 0.00 175.02 175.47 1jeq s PRO 447 N 0.25 2.41 0.10 2.03 0.04 -1.26 -5.07 135.00 133.50 1jeq s PRO 447 Ca -0.03 0.81 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1jeq s PRO 447 Cb -0.07 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1jeq s PRO 447 CO -0.00 -1.44 -0.06 -0.59 0.04 0.00 0.00 177.00 174.96 1jeq s PHE 448 N -3.09 0.87 0.00 0.56 -0.12 -1.26 -5.15 117.98 109.80 1jeq s PHE 448 Ca 0.60 -0.94 0.00 0.00 -0.05 0.00 0.00 56.93 56.53 1jeq s PHE 448 Cb -0.15 -0.51 0.00 0.00 -0.63 0.00 0.00 43.02 41.73 1jeq s PHE 448 CO 0.55 -0.18 0.00 0.25 -0.05 0.00 0.00 175.22 175.78 1jeq n THR 449 N -0.04 0.00 -3.57 -4.49 -2.24 -1.26 -5.07 114.28 97.61 1jeq n THR 449 Ca -0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1jeq n THR 449 Cb 0.61 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1jeq n THR 449 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jeq s GLU 450 N 3.81 3.74 -0.11 -0.78 2.02 -1.26 -5.04 118.70 121.08 1jeq s GLU 450 Ca 0.00 0.13 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 1jeq s GLU 450 Cb 0.00 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 1jeq s GLU 450 CO 0.00 0.49 1.18 0.21 0.02 0.00 0.00 175.26 177.17 1jeq s LYS 451 N -2.25 4.32 -0.48 1.61 2.20 -1.26 -4.98 119.74 118.88 1jeq s LYS 451 Ca 0.38 1.61 0.04 0.00 -0.36 0.00 0.00 55.97 57.63 1jeq s LYS 451 Cb -0.13 -3.63 0.12 0.00 -1.51 0.00 0.00 37.83 32.69 1jeq s LYS 451 CO 0.20 -0.53 0.22 0.42 -0.36 0.00 0.00 175.35 175.30 1jeq s ILE 452 N 2.67 2.56 0.41 5.43 1.01 -1.26 -5.10 121.20 126.91 1jeq s ILE 452 Ca 0.54 -3.09 -0.24 0.00 0.00 0.00 0.00 60.65 57.86 1jeq s ILE 452 Cb -0.22 -2.80 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 1jeq s ILE 452 CO 0.18 -0.76 1.04 -0.32 0.00 0.00 0.00 174.94 175.08 1jeq s MET 453 N -0.01 4.15 0.62 2.79 1.75 -1.26 -5.07 119.30 122.28 1jeq s MET 453 Ca 0.16 1.46 -0.10 0.00 -1.25 0.00 0.00 55.69 55.96 1jeq s MET 453 Cb -0.24 -2.49 -0.01 0.00 2.84 0.00 0.00 34.83 34.93 1jeq s MET 453 CO -0.02 -0.14 1.00 0.00 -0.65 0.00 0.00 175.02 175.20 1jeq s ALA 454 N -1.72 3.11 0.22 4.11 0.00 -1.26 -5.06 121.76 121.16 1jeq s ALA 454 Ca 0.59 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 1jeq s ALA 454 Cb -0.20 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 1jeq s ALA 454 CO 0.26 -0.80 0.49 0.95 0.00 0.00 0.00 175.76 176.66 1jeq s THR 455 N -3.14 5.05 0.58 0.00 -4.23 -1.26 -4.92 115.64 107.71 1jeq s THR 455 Ca 0.55 0.14 0.30 0.00 -1.18 0.00 0.00 61.69 61.50 1jeq s THR 455 Cb -0.11 -3.67 0.42 0.00 1.34 0.00 0.00 72.50 70.49 1jeq s THR 455 CO 0.51 -0.13 1.83 1.55 -0.54 0.00 0.00 174.62 177.83 1jeq h PRO 456 N 2.28 0.00 -0.11 3.99 0.13 -1.99 0.21 132.00 136.51 1jeq h PRO 456 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 1jeq h PRO 456 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1jeq h PRO 456 CO 0.69 0.00 -0.66 1.49 -0.23 0.00 0.00 178.00 179.29 1jeq h GLU 457 N 0.00 0.43 0.13 0.86 4.81 -1.99 -2.29 114.58 116.53 1jeq h GLU 457 Ca 0.33 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1jeq h GLU 457 Cb 1.58 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.02 1jeq h GLU 457 CO -0.00 0.94 -0.06 1.96 -0.73 0.00 0.00 179.01 181.12 1jeq h GLN 458 N 0.31 -0.16 -0.95 1.92 4.20 -0.98 -2.67 115.11 116.78 1jeq h GLN 458 Ca -0.02 0.01 0.27 0.00 0.06 0.00 0.00 58.65 58.97 1jeq h GLN 458 Cb 1.22 0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.89 1jeq h GLN 458 CO 0.12 0.31 0.43 0.28 -0.67 0.00 0.00 178.83 179.30 1jeq h VAL 459 N -0.84 0.36 0.18 -0.54 2.07 -1.43 0.96 116.25 117.00 1jeq h VAL 459 Ca -0.02 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1jeq h VAL 459 Cb 0.55 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1jeq h VAL 459 CO 0.03 0.06 -0.51 1.23 0.02 0.00 0.00 177.57 178.40 1jeq h GLY 460 N 0.33 -1.12 1.45 2.17 0.00 -1.27 0.23 103.07 104.86 1jeq h GLY 460 Ca 0.64 0.61 0.03 0.00 0.00 0.00 0.00 47.33 48.61 1jeq h GLY 460 CO -0.60 -0.28 0.29 0.50 0.00 0.00 0.00 176.54 176.45 1jeq h LYS 461 N -0.78 0.45 -0.29 4.80 1.79 -0.51 -1.70 116.57 120.33 1jeq h LYS 461 Ca -0.01 -0.03 -0.16 0.00 -2.18 0.00 0.00 60.65 58.27 1jeq h LYS 461 Cb 0.77 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1jeq h LYS 461 CO -0.25 0.29 -0.45 1.98 -1.08 0.00 0.00 179.45 179.95 1jeq h MET 462 N 0.46 0.82 -0.37 3.15 4.05 -0.55 -2.41 114.93 120.08 1jeq h MET 462 Ca 0.18 -0.49 0.07 0.00 -0.28 0.00 0.00 59.70 59.18 1jeq h MET 462 Cb 0.14 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.93 1jeq h MET 462 CO -0.04 1.13 -0.02 0.87 0.23 0.00 0.00 176.91 179.07 1jeq h LYS 463 N 0.59 0.08 -0.46 0.39 1.57 0.32 0.24 116.57 119.31 1jeq h LYS 463 Ca 0.03 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1jeq h LYS 463 Cb 1.05 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 1jeq h LYS 463 CO 0.10 0.05 0.05 0.00 -0.57 0.00 0.00 179.45 179.09 1jeq h ALA 464 N 1.33 0.47 -0.67 3.86 0.00 -1.30 -1.22 119.26 121.73 1jeq h ALA 464 Ca 0.18 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1jeq h ALA 464 Cb 0.26 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1jeq h ALA 464 CO -0.32 -0.35 0.39 0.82 0.00 0.00 0.00 179.25 179.79 1jeq h ILE 465 N 0.17 1.20 -0.66 0.00 2.04 -0.66 -2.32 117.51 117.28 1jeq h ILE 465 Ca 0.23 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1jeq h ILE 465 Cb 0.31 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1jeq h ILE 465 CO -0.33 0.22 0.41 0.58 0.00 0.00 0.00 178.15 179.03 1jeq h VAL 466 N 0.92 1.08 -0.15 1.67 2.07 0.37 -2.65 116.25 119.56 1jeq h VAL 466 Ca 0.24 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 1jeq h VAL 466 Cb 0.01 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1jeq h VAL 466 CO -0.04 0.15 -0.39 -0.33 0.02 0.00 0.00 177.57 176.97 1jeq h GLU 467 N 0.80 0.32 0.00 1.57 5.08 -0.89 -2.32 114.58 119.15 1jeq h GLU 467 Ca 0.27 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1jeq h GLU 467 Cb 0.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jeq h GLU 467 CO -0.11 0.67 -0.16 0.87 -1.00 0.00 0.00 179.01 179.28 1jeq h LYS 468 N 0.27 0.00 -0.65 2.33 1.79 -1.09 -2.52 116.57 116.70 1jeq h LYS 468 Ca 0.03 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.27 1jeq h LYS 468 Cb 0.81 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.32 1jeq h LYS 468 CO 0.06 0.16 0.24 1.28 -1.08 0.00 0.00 179.45 180.11 1jeq n LEU 469 N -3.62 5.57 -4.73 2.94 4.77 -0.89 -4.96 117.00 116.09 1jeq n LEU 469 Ca -0.01 -3.36 -0.31 0.00 -0.03 0.00 0.00 56.01 52.30 1jeq n LEU 469 Cb 0.28 -0.72 0.12 0.00 -2.33 0.00 0.00 43.42 40.78 1jeq n LEU 469 CO 0.31 0.91 0.68 -0.60 -1.33 0.00 0.00 177.39 177.36 1jeq s ARG 470 N -3.07 1.67 -0.30 3.23 3.52 -0.95 -5.04 118.95 118.01 1jeq s ARG 470 Ca 0.52 1.16 -0.39 0.00 -0.13 0.00 0.00 55.73 56.89 1jeq s ARG 470 Cb 0.43 -1.83 0.16 0.00 -1.56 0.00 0.00 34.95 32.15 1jeq s ARG 470 CO 0.10 -2.05 1.40 -0.59 -0.81 0.00 0.00 175.30 173.35 1jeq s PHE 471 N -2.84 -0.00 -0.34 5.12 -0.12 -1.26 -5.10 117.98 113.43 1jeq s PHE 471 Ca 0.63 0.00 -0.19 0.00 -0.05 0.00 0.00 56.93 57.32 1jeq s PHE 471 Cb -0.19 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.70 1jeq s PHE 471 CO 0.57 -0.00 0.55 0.99 -0.05 0.00 0.00 175.22 177.28 1jeq s THR 472 N -2.00 4.98 0.04 -4.49 2.01 -1.26 -5.05 115.64 109.88 1jeq s THR 472 Ca 0.12 0.45 -0.21 0.00 0.31 0.00 0.00 61.69 62.36 1jeq s THR 472 Cb -0.01 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 1jeq s THR 472 CO -0.02 -0.22 0.63 -0.47 -0.69 0.00 0.00 174.62 173.85 1jeq s TYR 473 N 2.48 3.75 -0.01 4.92 5.04 -1.26 -5.06 117.35 127.21 1jeq s TYR 473 Ca 0.20 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 1jeq s TYR 473 Cb -0.15 -2.63 0.01 0.00 0.35 0.00 0.00 41.96 39.54 1jeq s TYR 473 CO 0.13 0.42 0.01 0.50 -1.34 0.00 0.00 175.55 175.27 1jeq s ARG 474 N -0.52 0.03 0.62 4.97 3.52 -1.26 -5.05 118.95 121.25 1jeq s ARG 474 Ca 0.32 0.04 0.30 0.00 -0.13 0.00 0.00 55.73 56.26 1jeq s ARG 474 Cb -0.19 -0.11 1.62 0.00 -1.56 0.00 0.00 34.95 34.71 1jeq s ARG 474 CO 0.19 -0.04 1.98 0.66 -0.81 0.00 0.00 175.30 177.28 1jeq h SER 475 N 6.49 0.00 -0.43 -2.12 4.64 -2.02 -0.82 113.55 119.30 1jeq h SER 475 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1jeq h SER 475 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1jeq h SER 475 CO 0.50 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.56 1jeq n ASP 476 N -3.43 4.27 -0.13 4.97 5.75 -1.26 -4.52 116.55 122.19 1jeq n ASP 476 Ca 0.03 -2.60 -0.10 0.00 -0.01 0.00 0.00 54.79 52.11 1jeq n ASP 476 Cb 0.45 -0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 1jeq n ASP 476 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1jeq h SER 477 N 2.90 0.58 -4.22 -1.12 0.02 -1.57 -3.45 113.55 106.69 1jeq h SER 477 Ca 0.00 -0.22 -0.69 0.00 -0.84 0.00 0.00 61.79 60.04 1jeq h SER 477 Cb 1.49 -0.15 -0.25 0.00 0.14 0.00 0.00 62.40 63.62 1jeq h SER 477 CO 0.32 0.65 -0.85 -0.36 -1.14 0.00 0.00 176.83 175.44 1jeq s PHE 478 N -5.35 2.41 0.22 3.45 0.40 -1.26 -5.06 117.98 112.78 1jeq s PHE 478 Ca -0.13 -0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 55.81 1jeq s PHE 478 Cb 0.10 -1.43 -0.05 0.00 0.51 0.00 0.00 43.02 42.14 1jeq s PHE 478 CO 0.76 0.15 0.45 -1.21 0.70 0.00 0.00 175.22 176.07 1jeq s GLU 479 N -1.21 3.59 -0.41 0.44 2.02 -1.26 -5.03 118.70 116.84 1jeq s GLU 479 Ca 0.12 -0.15 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 1jeq s GLU 479 Cb -0.10 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.37 1jeq s GLU 479 CO 0.03 0.35 1.35 1.21 0.02 0.00 0.00 175.26 178.21 1jeq s ASN 480 N -2.97 6.44 0.24 -0.19 3.84 -1.26 -4.77 114.94 116.27 1jeq s ASN 480 Ca 0.41 0.83 -0.13 0.00 0.21 0.00 0.00 52.86 54.18 1jeq s ASN 480 Cb -0.11 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.37 1jeq s ASN 480 CO 0.28 -1.35 1.58 -0.65 -2.79 0.00 0.00 177.10 174.17 1jeq h PRO 481 N 10.23 -0.02 0.14 0.43 0.11 -1.97 -1.36 132.00 139.55 1jeq h PRO 481 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1jeq h PRO 481 Cb 1.10 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jeq h PRO 481 CO 1.08 -0.02 -0.06 0.28 -0.21 0.00 0.00 178.00 179.07 1jeq h VAL 482 N -0.02 1.03 -0.48 3.15 2.07 -1.99 -2.19 116.25 117.82 1jeq h VAL 482 Ca 0.38 -0.88 0.07 0.00 0.82 0.00 0.00 66.70 67.09 1jeq h VAL 482 Cb 0.62 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1jeq h VAL 482 CO -0.89 0.20 0.13 -0.07 0.02 0.00 0.00 177.57 176.96 1jeq h LEU 483 N -0.61 0.08 0.27 2.57 3.38 -1.89 0.12 115.31 119.24 1jeq h LEU 483 Ca -0.02 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jeq h LEU 483 Cb 0.47 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1jeq h LEU 483 CO 0.03 0.07 -0.51 1.56 0.09 0.00 0.00 178.44 179.69 1jeq h GLN 484 N 0.28 -0.81 -0.49 1.13 1.08 -1.29 -1.05 115.11 113.96 1jeq h GLN 484 Ca 0.24 0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.58 1jeq h GLN 484 Cb 0.28 0.18 -0.10 0.00 -0.05 0.00 0.00 27.48 27.80 1jeq h GLN 484 CO -0.28 -0.54 -0.37 0.37 -0.95 0.00 0.00 178.83 177.06 1jeq h GLN 485 N -0.84 -0.22 0.03 1.46 5.75 -0.76 0.32 115.11 120.84 1jeq h GLN 485 Ca -0.02 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1jeq h GLN 485 Cb 0.80 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 1jeq h GLN 485 CO -0.19 -0.15 -0.10 1.25 -2.65 0.00 0.00 178.83 176.99 1jeq h HIS 486 N -0.23 -0.29 0.00 3.99 2.76 -0.64 -1.15 115.15 119.59 1jeq h HIS 486 Ca 0.19 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1jeq h HIS 486 Cb 0.56 0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 1jeq h HIS 486 CO -0.62 -0.11 -0.06 0.74 -1.30 0.00 0.00 177.93 176.58 1jeq h PHE 487 N -0.14 0.00 -0.29 5.26 -1.00 -0.99 0.12 116.94 119.90 1jeq h PHE 487 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1jeq h PHE 487 Cb 0.14 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 1jeq h PHE 487 CO -0.32 0.06 -0.08 -0.09 -1.61 0.00 0.00 178.31 176.27 1jeq h ARG 488 N 0.00 0.56 -0.12 1.51 9.65 -0.04 -0.36 114.38 125.58 1jeq h ARG 488 Ca -0.00 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.65 1jeq h ARG 488 Cb 0.12 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1jeq h ARG 488 CO 0.01 0.76 0.02 -0.91 2.80 0.00 0.00 179.97 182.65 1jeq h ASN 489 N 0.32 0.19 -0.89 -3.80 2.35 -0.33 -2.02 115.58 111.38 1jeq h ASN 489 Ca 0.07 -0.26 0.17 0.00 -0.55 0.00 0.00 56.30 55.73 1jeq h ASN 489 Cb 0.56 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.81 1jeq h ASN 489 CO 0.03 0.40 0.58 0.25 -1.65 0.00 0.00 177.43 177.04 1jeq h LEU 490 N -0.04 0.55 0.36 1.61 5.85 -0.69 0.11 115.31 123.06 1jeq h LEU 490 Ca 0.04 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1jeq h LEU 490 Cb 0.29 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1jeq h LEU 490 CO 0.00 0.25 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.10 1jeq h GLU 491 N 0.56 -0.47 -0.94 1.25 4.81 -0.77 -1.49 114.58 117.55 1jeq h GLU 491 Ca 0.46 0.03 0.27 0.00 -0.13 0.00 0.00 59.36 59.99 1jeq h GLU 491 Cb 0.92 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 30.27 1jeq h GLU 491 CO -0.20 -0.15 0.38 0.00 -0.73 0.00 0.00 179.01 178.30 1jeq h ALA 492 N -0.61 1.57 -0.16 2.92 0.00 -0.55 0.24 119.26 122.67 1jeq h ALA 492 Ca -0.05 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1jeq h ALA 492 Cb 0.53 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jeq h ALA 492 CO 0.08 -0.50 -0.22 -0.07 0.00 0.00 0.00 179.25 178.53 1jeq h LEU 493 N 0.27 0.47 -2.66 0.00 3.38 -0.95 0.28 115.31 116.10 1jeq h LEU 493 Ca 0.63 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jeq h LEU 493 Cb 1.35 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1jeq h LEU 493 CO -0.63 0.89 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1jeq h ALA 494 N 0.59 1.00 -0.46 1.53 0.00 0.06 -0.19 119.26 121.78 1jeq h ALA 494 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jeq h ALA 494 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jeq h ALA 494 CO 0.05 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1jeq n LEU 495 N -3.07 4.73 -3.16 0.00 4.77 -0.11 -4.92 117.00 115.24 1jeq n LEU 495 Ca -0.02 -2.81 -0.15 0.00 -0.03 0.00 0.00 56.01 53.00 1jeq n LEU 495 Cb 0.12 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1jeq n LEU 495 CO 0.21 0.69 -0.06 -0.67 -1.33 0.00 0.00 177.39 176.24 1jeq n ASP 496 N 0.32 -1.56 -4.78 -1.43 2.03 -0.08 -4.83 116.55 106.22 1jeq n ASP 496 Ca 0.24 -0.09 -0.34 0.00 0.52 0.00 0.00 54.79 55.12 1jeq n ASP 496 Cb 0.98 -1.42 0.01 0.00 -0.72 0.00 0.00 41.12 39.98 1jeq n ASP 496 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jeq s LEU 497 N -5.79 3.65 0.18 -2.67 1.43 0.97 -4.94 118.68 111.52 1jeq s LEU 497 Ca 0.27 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.29 1jeq s LEU 497 Cb -0.16 -4.57 0.14 0.00 0.03 0.00 0.00 46.19 41.63 1jeq s LEU 497 CO 0.34 -1.29 1.62 0.24 0.23 0.00 0.00 176.35 177.49 1jeq h MET 498 N 0.90 -0.10 -3.51 1.70 2.86 -1.88 -3.45 114.93 111.45 1jeq h MET 498 Ca -0.49 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.09 1jeq h MET 498 Cb 1.25 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.87 1jeq h MET 498 CO 0.56 -0.07 0.00 -1.83 1.06 0.00 0.00 176.91 176.64 1jeq s GLU 499 N -6.14 1.80 0.67 1.72 -1.05 -1.26 -5.12 118.70 109.31 1jeq s GLU 499 Ca -0.14 -1.34 -0.04 0.00 -0.15 0.00 0.00 54.97 53.29 1jeq s GLU 499 Cb 0.16 0.52 0.06 0.00 -0.44 0.00 0.00 34.13 34.43 1jeq s GLU 499 CO 0.71 -0.78 0.95 -1.25 0.95 0.00 0.00 175.26 175.83 1jeq s PRO 500 N -3.48 2.21 -0.68 -4.83 0.04 -1.26 -4.86 135.00 122.14 1jeq s PRO 500 Ca 0.21 -0.51 -0.15 0.00 0.04 0.00 0.00 61.00 60.59 1jeq s PRO 500 Cb -0.02 -2.27 0.17 0.00 0.04 0.00 0.00 34.50 32.41 1jeq s PRO 500 CO 0.11 -1.13 0.64 -2.00 0.04 0.00 0.00 177.00 174.67 1jeq s GLU 501 N -5.10 3.27 -0.42 4.56 2.12 -1.26 -5.02 118.70 116.85 1jeq s GLU 501 Ca 0.60 -2.02 -0.27 0.00 0.36 0.00 0.00 54.97 53.64 1jeq s GLU 501 Cb -0.10 -4.37 -0.07 0.00 0.26 0.00 0.00 34.13 29.85 1jeq s GLU 501 CO 0.43 -1.34 2.36 1.04 -0.54 0.00 0.00 175.26 177.22 1jeq n GLN 502 N 4.79 1.27 -0.55 4.30 1.13 -1.26 -4.84 117.38 122.22 1jeq n GLN 502 Ca -0.01 0.16 -0.28 0.00 -1.94 0.00 0.00 57.00 54.94 1jeq n GLN 502 Cb 0.43 -3.28 0.20 0.00 0.11 0.00 0.00 30.24 27.70 1jeq n GLN 502 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jeq n ALA 503 N 14.30 -3.32 -3.65 -1.58 0.00 -1.26 -4.98 120.51 120.02 1jeq n ALA 503 Ca 0.36 -1.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.13 1jeq n ALA 503 Cb 0.49 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 1jeq n ALA 503 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jeq s VAL 504 N -2.19 2.99 -0.46 0.00 1.01 -1.26 -5.06 120.40 115.44 1jeq s VAL 504 Ca 0.54 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 1jeq s VAL 504 Cb -0.12 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1jeq s VAL 504 CO 0.56 0.06 2.04 -0.62 0.00 0.00 0.00 175.10 177.15 1jeq s ASP 505 N 1.31 5.21 0.35 3.32 -1.08 -1.26 -4.80 116.67 119.73 1jeq s ASP 505 Ca -0.02 0.97 0.19 0.00 -0.52 0.00 0.00 52.55 53.17 1jeq s ASP 505 Cb -0.18 -2.52 0.34 0.00 -1.46 0.00 0.00 42.92 39.11 1jeq s ASP 505 CO -0.03 -2.30 1.58 -0.07 0.52 0.00 0.00 175.17 174.87 1jeq h LEU 506 N 16.47 0.00 -1.50 -1.34 3.38 -1.97 -3.05 115.31 127.31 1jeq h LEU 506 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1jeq h LEU 506 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1jeq h LEU 506 CO 1.12 0.33 0.00 0.71 0.09 0.00 0.00 178.44 180.70 1jeq h THR 507 N 0.00 0.00 -3.98 0.22 1.35 -1.87 -3.43 112.91 105.20 1jeq h THR 507 Ca -0.00 -0.20 -0.48 0.00 -0.55 0.00 0.00 66.41 65.18 1jeq h THR 507 Cb 1.14 0.99 0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1jeq h THR 507 CO 0.04 0.00 0.40 -0.76 -0.25 0.00 0.00 175.52 174.96 1jeq s LEU 508 N -5.22 4.09 0.06 3.87 1.43 -1.15 -5.00 118.68 116.76 1jeq s LEU 508 Ca 0.00 2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 54.80 1jeq s LEU 508 Cb 0.09 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.01 1jeq s LEU 508 CO 0.39 -0.52 1.09 -2.84 0.23 0.00 0.00 176.35 174.70 1jeq s PRO 509 N -2.63 4.52 -1.17 1.29 0.02 -1.26 -4.93 135.00 130.84 1jeq s PRO 509 Ca 0.59 1.62 -0.21 0.00 0.02 0.00 0.00 61.00 63.02 1jeq s PRO 509 Cb -0.20 -3.38 -0.01 0.00 0.02 0.00 0.00 34.50 30.92 1jeq s PRO 509 CO 0.26 -0.10 1.82 0.15 -0.33 0.00 0.00 177.00 178.79 1jeq s LYS 510 N 0.75 3.14 0.04 5.54 1.02 -1.26 -4.82 119.74 124.14 1jeq s LYS 510 Ca 0.54 -1.34 -0.20 0.00 0.02 0.00 0.00 55.97 54.99 1jeq s LYS 510 Cb -0.26 -5.34 -0.10 0.00 -0.52 0.00 0.00 37.83 31.61 1jeq s LYS 510 CO 0.30 -3.12 1.30 0.28 -0.92 0.00 0.00 175.35 173.18 1jeq h VAL 511 N 6.17 0.00 -0.88 3.17 2.07 -1.99 -0.62 116.25 124.17 1jeq h VAL 511 Ca 0.28 0.00 0.24 0.00 0.82 0.00 0.00 66.70 68.04 1jeq h VAL 511 Cb 0.93 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.56 1jeq h VAL 511 CO 1.33 0.00 0.25 -0.33 0.02 0.00 0.00 177.57 178.84 1jeq h GLU 512 N -0.63 0.21 0.61 1.57 4.39 -1.99 0.19 114.58 118.92 1jeq h GLU 512 Ca -0.05 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1jeq h GLU 512 Cb 0.51 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1jeq h GLU 512 CO 0.03 0.14 -0.29 0.00 -1.16 0.00 0.00 179.01 177.73 1jeq h ALA 513 N 1.78 -1.14 -0.82 3.43 0.00 -1.93 -1.07 119.26 119.51 1jeq h ALA 513 Ca 0.56 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.48 1jeq h ALA 513 Cb 1.13 0.31 -0.15 0.00 0.00 0.00 0.00 17.79 19.09 1jeq h ALA 513 CO -0.65 -1.08 -0.04 0.52 0.00 0.00 0.00 179.25 178.00 1jeq h MET 514 N -0.86 0.06 0.20 0.00 2.86 -0.23 0.20 114.93 117.16 1jeq h MET 514 Ca -0.08 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1jeq h MET 514 Cb 0.62 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1jeq h MET 514 CO 0.14 0.04 -0.38 -0.91 1.06 0.00 0.00 176.91 176.86 1jeq h ASN 515 N 0.06 -1.09 -0.47 1.22 4.21 -0.55 0.20 115.58 119.16 1jeq h ASN 515 Ca 0.45 0.10 0.09 0.00 1.21 0.00 0.00 56.30 58.16 1jeq h ASN 515 Cb 0.81 0.39 -0.08 0.00 -1.12 0.00 0.00 38.32 38.31 1jeq h ASN 515 CO -0.76 -0.44 -0.03 0.50 -1.29 0.00 0.00 177.43 175.41 1jeq h LYS 516 N -0.62 0.08 0.00 0.81 3.64 0.24 -0.65 116.57 120.06 1jeq h LYS 516 Ca -0.02 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1jeq h LYS 516 Cb 0.58 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1jeq h LYS 516 CO -0.14 0.05 -0.06 -0.09 -2.27 0.00 0.00 179.45 176.95 1jeq h ARG 517 N 0.08 0.00 0.00 1.90 2.43 -0.33 -2.56 114.38 115.90 1jeq h ARG 517 Ca 0.24 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 1jeq h ARG 517 Cb 0.35 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1jeq h ARG 517 CO -0.42 0.06 -0.72 -0.07 -1.51 0.00 0.00 179.97 177.32 1jeq h LEU 518 N 0.00 0.00 0.00 3.80 3.38 0.61 -3.48 115.31 119.62 1jeq h LEU 518 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jeq h LEU 518 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jeq h LEU 518 CO 0.01 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.70 1jeq n GLY 519 N 1.27 3.05 0.09 0.83 0.00 -0.97 -2.20 105.19 107.25 1jeq n GLY 519 Ca -0.00 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1jeq n GLY 519 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jeq n SER 520 N 2.25 0.64 -0.32 1.61 3.41 -1.26 -4.02 113.62 115.93 1jeq n SER 520 Ca 0.00 0.57 0.20 0.00 -0.26 0.00 0.00 58.87 59.38 1jeq n SER 520 Cb 0.00 -0.74 0.41 0.00 -0.26 0.00 0.00 64.21 63.62 1jeq n SER 520 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jeq h LEU 521 N 0.00 0.35 0.00 1.04 3.38 -1.86 -0.08 115.31 118.14 1jeq h LEU 521 Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1jeq h LEU 521 Cb 0.65 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1jeq h LEU 521 CO 0.00 -0.13 0.00 0.52 0.09 0.00 0.00 178.44 178.92 1jeq n VAL 522 N -5.10 0.00 -0.37 1.22 0.31 -1.26 -0.08 118.33 113.05 1jeq n VAL 522 Ca 0.28 1.21 0.38 0.00 -0.01 0.00 0.00 64.34 66.20 1jeq n VAL 522 Cb 0.88 -2.10 0.71 0.00 -0.91 0.00 0.00 33.84 32.42 1jeq n VAL 522 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1jeq h ASP 523 N 0.00 0.00 1.27 4.52 3.32 -1.73 1.32 116.42 125.11 1jeq h ASP 523 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1jeq h ASP 523 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1jeq h ASP 523 CO 0.00 0.00 -0.73 -0.33 -1.72 0.00 0.00 179.24 176.46 1jeq h GLU 524 N 0.00 0.00 0.02 3.56 5.08 -0.55 -3.15 114.58 119.54 1jeq h GLU 524 Ca 0.63 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.82 1jeq h GLU 524 Cb 2.74 0.00 0.01 0.00 0.50 0.00 0.00 28.75 32.01 1jeq h GLU 524 CO -0.01 0.69 -0.67 0.35 -1.00 0.00 0.00 179.01 178.38 1jeq h PHE 525 N 0.00 0.64 -0.44 4.33 3.57 0.53 -3.25 116.94 122.32 1jeq h PHE 525 Ca -0.01 -0.36 0.07 0.00 3.53 0.00 0.00 57.97 61.19 1jeq h PHE 525 Cb 1.55 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 40.16 1jeq h PHE 525 CO 0.00 1.19 0.11 0.87 -2.23 0.00 0.00 178.31 178.25 1jeq h LYS 526 N -0.09 0.25 -1.00 1.11 1.57 -1.39 -1.20 116.57 115.82 1jeq h LYS 526 Ca -0.09 -0.01 0.26 0.00 -1.87 0.00 0.00 60.65 58.93 1jeq h LYS 526 Cb 1.39 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.57 1jeq h LYS 526 CO 0.13 0.16 0.67 0.93 -0.57 0.00 0.00 179.45 180.77 1jeq h GLU 527 N 0.25 0.28 0.00 3.15 4.39 -1.60 1.16 114.58 122.21 1jeq h GLU 527 Ca 0.21 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1jeq h GLU 527 Cb 0.25 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1jeq h GLU 527 CO -0.26 0.19 -0.30 -0.07 -1.16 0.00 0.00 179.01 177.41 1jeq h LEU 528 N 0.29 0.00 0.00 1.33 3.38 -1.26 -3.41 115.31 115.64 1jeq h LEU 528 Ca 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1jeq h LEU 528 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1jeq h LEU 528 CO -0.18 0.03 -0.48 1.33 0.09 0.00 0.00 178.44 179.23 1jeq n VAL 529 N -2.44 0.00 -3.68 1.22 0.24 0.37 -4.94 118.33 109.10 1jeq n VAL 529 Ca 0.04 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.95 1jeq n VAL 529 Cb 0.47 -0.10 -0.11 0.00 -1.47 0.00 0.00 33.84 32.62 1jeq n VAL 529 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1jeq s TYR 530 N -1.21 3.32 0.58 6.34 4.12 0.37 -5.07 117.35 125.81 1jeq s TYR 530 Ca 0.00 -1.54 -0.18 0.00 0.02 0.00 0.00 57.07 55.37 1jeq s TYR 530 Cb 0.00 -2.66 -0.12 0.00 -1.52 0.00 0.00 41.96 37.66 1jeq s TYR 530 CO 0.00 -0.80 0.13 -2.30 0.02 0.00 0.00 175.55 172.60 1jeq n PRO 531 N 4.84 0.21 0.24 -1.71 -0.02 -1.26 -4.70 135.00 132.60 1jeq n PRO 531 Ca -0.10 0.08 0.15 0.00 -2.02 0.00 0.00 63.50 61.61 1jeq n PRO 531 Cb 0.44 -1.33 0.81 0.00 -0.02 0.00 0.00 33.50 33.39 1jeq n PRO 531 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1jeq h PRO 532 N -0.03 0.00 -1.90 0.52 0.13 -1.96 -2.76 132.00 126.00 1jeq h PRO 532 Ca -0.43 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.09 1jeq h PRO 532 Cb 1.41 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.14 1jeq h PRO 532 CO 0.42 0.00 -0.53 -0.40 -0.23 0.00 0.00 178.00 177.27 1jeq n ASP 533 N -2.59 4.87 -4.87 1.44 5.75 -1.26 -5.05 116.55 114.84 1jeq n ASP 533 Ca -0.02 -3.71 -0.35 0.00 -0.01 0.00 0.00 54.79 50.70 1jeq n ASP 533 Cb 0.12 -0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 1jeq n ASP 533 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1jeq s TYR 534 N -3.58 3.60 -1.11 2.11 5.04 -1.05 -5.03 117.35 117.34 1jeq s TYR 534 Ca 0.48 0.69 -0.05 0.00 -2.44 0.00 0.00 57.07 55.75 1jeq s TYR 534 Cb 0.34 -2.07 0.29 0.00 0.35 0.00 0.00 41.96 40.87 1jeq s TYR 534 CO -0.18 0.60 1.57 0.09 -1.34 0.00 0.00 175.55 176.30 1jeq n ASN 535 N 1.21 6.30 0.25 4.32 4.13 -1.26 -4.86 115.26 125.35 1jeq n ASN 535 Ca -0.11 -3.38 0.09 0.00 1.68 0.00 0.00 54.58 52.86 1jeq n ASN 535 Cb 0.53 -1.30 0.65 0.00 -1.54 0.00 0.00 39.78 38.12 1jeq n ASN 535 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1jeq h PRO 536 N 5.40 0.00 0.00 3.52 0.11 -2.00 -3.25 132.00 135.78 1jeq h PRO 536 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1jeq h PRO 536 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1jeq h PRO 536 CO 1.38 0.10 -0.29 0.39 -0.21 0.00 0.00 178.00 179.37 1jeq n GLU 537 N -4.15 0.00 0.00 1.05 1.02 -1.26 -5.33 120.64 111.97 1jeq n GLU 537 Ca -0.03 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 1jeq n GLU 537 Cb 0.18 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 1jeq n GLU 537 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jeq n GLY 538 N 0.00 0.00 3.39 0.62 0.00 -1.23 -5.32 105.19 102.64 1jeq n GLY 538 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jeq n GLY 538 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jeq n TYR 559 N -1.20 0.60 -2.22 1.61 4.02 -1.26 -4.89 117.16 113.82 1jeq n TYR 559 Ca 0.00 -0.10 -0.35 0.00 -0.01 0.00 0.00 57.90 57.44 1jeq n TYR 559 Cb 0.12 -1.89 0.01 0.00 -0.02 0.00 0.00 39.34 37.56 1jeq n TYR 559 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1jeq s SER 560 N 5.73 5.70 0.31 7.72 0.01 -1.26 -4.77 113.70 127.15 1jeq s SER 560 Ca 0.57 2.22 0.04 0.00 1.31 0.00 0.00 55.95 60.10 1jeq s SER 560 Cb -0.05 -2.59 0.82 0.00 0.21 0.00 0.00 66.02 64.41 1jeq s SER 560 CO 0.13 -1.24 1.53 -0.62 0.41 0.00 0.00 173.24 173.46 1jeq n GLU 561 N -1.24 -0.08 0.13 12.44 1.02 -1.26 -1.19 120.64 130.45 1jeq n GLU 561 Ca 0.11 1.45 -0.09 0.00 -0.02 0.00 0.00 57.16 58.61 1jeq n GLU 561 Cb 0.50 -2.34 -0.05 0.00 -0.02 0.00 0.00 31.44 29.54 1jeq n GLU 561 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jeq h GLU 562 N 0.00 -0.47 -0.54 3.49 5.08 -1.99 -0.02 114.58 120.13 1jeq h GLU 562 Ca 0.62 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 59.07 1jeq h GLU 562 Cb 1.34 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.62 1jeq h GLU 562 CO -0.90 -0.31 -0.43 1.49 -1.00 0.00 0.00 179.01 177.85 1jeq h GLU 563 N -0.49 -0.14 -0.77 2.33 4.81 -1.52 -0.25 114.58 118.56 1jeq h GLU 563 Ca -0.03 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1jeq h GLU 563 Cb 0.44 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 1jeq h GLU 563 CO -0.06 -0.09 0.51 -0.07 -0.73 0.00 0.00 179.01 178.56 1jeq h LEU 564 N -0.15 0.57 -1.22 1.64 3.38 -1.42 0.14 115.31 118.25 1jeq h LEU 564 Ca 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1jeq h LEU 564 Cb 0.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jeq h LEU 564 CO -0.58 0.32 -0.38 0.50 0.09 0.00 0.00 178.44 178.39 1jeq h LYS 565 N 0.62 0.02 0.04 1.13 3.64 0.67 -2.55 116.57 120.14 1jeq h LYS 565 Ca 0.37 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.47 1jeq h LYS 565 Cb 0.57 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1jeq h LYS 565 CO -0.14 0.40 -1.09 1.15 -2.27 0.00 0.00 179.45 177.51 1jeq h THR 566 N 0.01 1.29 -0.86 1.00 2.02 0.53 -2.69 112.91 114.22 1jeq h THR 566 Ca -0.00 -2.31 0.02 0.00 0.77 0.00 0.00 66.41 64.90 1jeq h THR 566 Cb 0.68 2.50 -0.05 0.00 -1.74 0.00 0.00 68.15 69.55 1jeq h THR 566 CO 0.05 0.71 0.57 0.45 0.37 0.00 0.00 175.52 177.66 1jeq h HIS 567 N 0.32 1.05 -0.28 3.16 3.86 -0.93 0.53 115.15 122.86 1jeq h HIS 567 Ca -0.15 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.03 1jeq h HIS 567 Cb 1.75 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 29.86 1jeq h HIS 567 CO 0.11 0.63 -0.06 0.82 0.86 0.00 0.00 177.93 180.29 1jeq h ILE 568 N 1.11 1.28 -0.44 2.45 2.04 -1.47 0.14 117.51 122.63 1jeq h ILE 568 Ca 0.33 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 1jeq h ILE 568 Cb -0.05 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1jeq h ILE 568 CO -0.09 0.35 0.05 -1.28 0.00 0.00 0.00 178.15 177.18 1jeq h SER 569 N 0.31 0.63 -0.01 1.72 0.87 -1.06 -2.72 113.55 113.29 1jeq h SER 569 Ca 0.07 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1jeq h SER 569 Cb 0.54 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1jeq h SER 569 CO 0.03 0.67 -0.01 0.29 -0.53 0.00 0.00 176.83 177.28 1jeq n LYS 570 N -4.27 1.80 -2.87 2.24 4.76 0.12 -4.96 118.16 114.98 1jeq n LYS 570 Ca 0.03 -1.19 -0.18 0.00 -2.87 0.00 0.00 58.31 54.10 1jeq n LYS 570 Cb 0.24 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1jeq n LYS 570 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jeq n GLY 571 N 1.23 -0.29 0.25 0.72 0.00 0.22 -4.90 105.19 102.42 1jeq n GLY 571 Ca 0.17 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1jeq n GLY 571 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jeq n THR 572 N -4.28 0.00 -0.19 2.61 -2.24 0.26 -4.50 114.28 105.94 1jeq n THR 572 Ca -0.09 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.21 1jeq n THR 572 Cb 0.60 1.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.97 1jeq n THR 572 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jeq h LEU 573 N 1.24 0.82 -0.77 3.22 5.85 -1.86 -1.87 115.31 121.93 1jeq h LEU 573 Ca 0.00 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1jeq h LEU 573 Cb 0.37 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1jeq h LEU 573 CO 0.00 0.85 0.00 0.61 -0.34 0.00 0.00 178.44 179.56 1jeq n GLY 574 N -0.59 -0.77 0.38 3.75 0.00 -1.26 -0.69 105.19 106.02 1jeq n GLY 574 Ca 0.02 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.28 1jeq n GLY 574 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jeq n LYS 575 N -1.93 1.37 -1.94 1.61 4.76 -0.70 -4.92 118.16 116.39 1jeq n LYS 575 Ca -0.00 -0.77 -0.40 0.00 -2.87 0.00 0.00 58.31 54.27 1jeq n LYS 575 Cb 0.04 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 1jeq n LYS 575 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1jeq s PHE 576 N -2.16 2.68 0.60 2.13 0.40 0.13 -5.01 117.98 116.74 1jeq s PHE 576 Ca 0.34 1.34 -0.12 0.00 -0.60 0.00 0.00 56.93 57.89 1jeq s PHE 576 Cb 0.20 -3.79 -0.04 0.00 0.51 0.00 0.00 43.02 39.90 1jeq s PHE 576 CO 0.39 -2.46 1.02 0.95 0.70 0.00 0.00 175.22 175.83 1jeq s THR 577 N -1.22 4.63 0.51 0.64 -4.23 -1.26 -4.88 115.64 109.82 1jeq s THR 577 Ca 0.58 0.93 0.15 0.00 -1.18 0.00 0.00 61.69 62.17 1jeq s THR 577 Cb -0.41 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 69.89 1jeq s THR 577 CO 0.53 -1.04 2.14 -0.37 -0.54 0.00 0.00 174.62 175.34 1jeq h VAL 578 N -0.10 1.01 -0.56 2.29 -1.51 -1.99 -1.77 116.25 113.62 1jeq h VAL 578 Ca -0.45 -0.02 -0.07 0.00 -1.23 0.00 0.00 66.70 64.93 1jeq h VAL 578 Cb 1.19 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.29 1jeq h VAL 578 CO 0.62 0.01 0.07 -0.65 -1.23 0.00 0.00 177.57 176.39 1jeq h PRO 579 N 0.04 0.95 -0.69 5.19 0.11 -2.00 -0.56 132.00 135.05 1jeq h PRO 579 Ca 0.01 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1jeq h PRO 579 Cb -0.00 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 1jeq h PRO 579 CO -0.00 0.92 0.40 0.52 -0.21 0.00 0.00 178.00 179.62 1jeq h MET 580 N 0.84 0.94 -0.50 1.05 2.86 -1.72 -2.08 114.93 116.32 1jeq h MET 580 Ca 0.17 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1jeq h MET 580 Cb 0.44 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1jeq h MET 580 CO 0.01 0.67 -0.11 -0.07 1.06 0.00 0.00 176.91 178.48 1jeq h LEU 581 N 0.96 0.94 0.46 1.22 3.38 -0.67 -2.33 115.31 119.25 1jeq h LEU 581 Ca 0.25 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1jeq h LEU 581 Cb -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1jeq h LEU 581 CO -0.04 1.06 -0.22 0.11 0.09 0.00 0.00 178.44 179.43 1jeq h LYS 582 N 0.84 -0.59 -1.00 1.13 1.57 -0.65 -1.56 116.57 116.31 1jeq h LYS 582 Ca 0.13 0.04 0.37 0.00 -1.87 0.00 0.00 60.65 59.32 1jeq h LYS 582 Cb 0.65 0.13 -0.17 0.00 0.08 0.00 0.00 32.23 32.93 1jeq h LYS 582 CO 0.05 -0.39 0.53 0.93 -0.57 0.00 0.00 179.45 179.99 1jeq h GLU 583 N -0.74 0.15 -0.00 3.15 4.39 -1.45 1.08 114.58 121.16 1jeq h GLU 583 Ca -0.06 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1jeq h GLU 583 Cb 0.47 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1jeq h GLU 583 CO 0.10 0.10 0.00 0.00 -1.16 0.00 0.00 179.01 178.05 1jeq h ALA 584 N 1.93 0.00 0.00 3.43 0.00 -1.30 -0.06 119.26 123.26 1jeq h ALA 584 Ca 0.78 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.52 1jeq h ALA 584 Cb 1.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1jeq h ALA 584 CO -0.70 -0.40 -0.35 0.00 0.00 0.00 0.00 179.25 177.80 1jeq h ARG 586 N 0.00 0.94 -0.20 0.00 3.08 0.12 0.06 114.38 118.38 1jeq h ARG 586 Ca -0.00 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.64 1jeq h ARG 586 Cb 0.71 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1jeq h ARG 586 CO 0.05 1.04 -0.01 0.00 -1.07 0.00 0.00 179.97 179.97 1jeq h ALA 587 N 0.88 1.62 -0.46 0.04 0.00 -0.62 -0.79 119.26 119.94 1jeq h ALA 587 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jeq h ALA 587 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jeq h ALA 587 CO 0.05 0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.24 1jeq n TYR 588 N -4.36 1.09 -3.32 0.00 4.02 -1.09 -4.96 117.16 108.54 1jeq n TYR 588 Ca -0.00 -0.66 -0.23 0.00 -0.01 0.00 0.00 57.90 57.01 1jeq n TYR 588 Cb 0.19 -0.21 -0.05 0.00 -0.02 0.00 0.00 39.34 39.25 1jeq n TYR 588 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jeq n GLY 589 N 0.51 -0.18 3.91 2.72 0.00 -0.08 -4.86 105.19 107.19 1jeq n GLY 589 Ca 0.21 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1jeq n GLY 589 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jeq s LEU 590 N -4.83 4.29 -0.24 0.99 2.34 -0.67 -5.01 118.68 115.55 1jeq s LEU 590 Ca 0.35 0.47 -0.31 0.00 0.06 0.00 0.00 54.13 54.70 1jeq s LEU 590 Cb -0.20 -3.19 -0.07 0.00 -0.56 0.00 0.00 46.19 42.16 1jeq s LEU 590 CO 0.58 0.07 2.19 0.29 -1.06 0.00 0.00 176.35 178.42 1jeq n LYS 591 N 0.02 1.75 0.00 1.48 5.02 -1.26 -4.79 118.16 120.37 1jeq n LYS 591 Ca -0.03 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1jeq n LYS 591 Cb 0.52 -2.97 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 1jeq n LYS 591 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1jeq n SER 592 N 10.72 0.00 -0.66 4.39 3.41 -1.26 -4.93 113.62 125.30 1jeq n SER 592 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1jeq n SER 592 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1jeq n SER 592 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jeq n GLY 593 N 5.00 1.17 0.01 5.00 0.00 -1.26 -4.85 105.19 110.26 1jeq n GLY 593 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.25 1jeq n GLY 593 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jeq n LEU 594 N 0.00 0.00 -4.94 0.99 4.77 -1.26 -4.93 117.00 111.63 1jeq n LEU 594 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1jeq n LEU 594 Cb 0.00 0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1jeq n LEU 594 CO 0.00 0.04 0.26 -0.54 -1.33 0.00 0.00 177.39 175.82 1jeq s LYS 595 N -2.53 3.34 -0.10 3.23 1.02 -1.26 -5.05 119.74 118.40 1jeq s LYS 595 Ca -0.03 -0.30 -0.26 0.00 0.02 0.00 0.00 55.97 55.39 1jeq s LYS 595 Cb 0.05 -2.58 -0.23 0.00 -0.52 0.00 0.00 37.83 34.56 1jeq s LYS 595 CO 0.36 -0.06 0.90 -0.22 -0.92 0.00 0.00 175.35 175.40 1jeq h LYS 596 N 0.53 -0.02 -0.98 1.68 3.64 -1.99 -3.10 116.57 116.34 1jeq h LYS 596 Ca -0.48 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.13 1jeq h LYS 596 Cb 1.23 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 1jeq h LYS 596 CO 0.60 0.75 0.63 0.37 -2.27 0.00 0.00 179.45 179.53 1jeq h GLN 597 N -0.83 0.43 0.08 1.90 5.75 -1.98 0.33 115.11 120.79 1jeq h GLN 597 Ca -0.00 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1jeq h GLN 597 Cb 0.77 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1jeq h GLN 597 CO 0.00 0.29 -0.04 0.93 -2.65 0.00 0.00 178.83 177.36 1jeq h GLU 598 N 0.45 -0.11 -1.13 1.69 5.08 -1.97 0.32 114.58 118.92 1jeq h GLU 598 Ca 0.54 0.01 0.32 0.00 -1.00 0.00 0.00 59.36 59.22 1jeq h GLU 598 Cb 1.28 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 1jeq h GLU 598 CO -0.25 -0.07 0.75 -0.07 -1.00 0.00 0.00 179.01 178.37 1jeq h LEU 599 N -0.11 0.31 0.01 1.33 3.38 -1.22 0.22 115.31 119.23 1jeq h LEU 599 Ca -0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jeq h LEU 599 Cb 0.09 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jeq h LEU 599 CO 0.02 0.02 -0.01 -0.07 0.09 0.00 0.00 178.44 178.49 1jeq h LEU 600 N 0.25 -0.01 -0.17 1.67 3.38 -0.01 -2.35 115.31 118.07 1jeq h LEU 600 Ca 0.63 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1jeq h LEU 600 Cb 1.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1jeq h LEU 600 CO -0.25 0.32 0.08 -0.33 0.09 0.00 0.00 178.44 178.34 1jeq h GLU 601 N -0.35 0.17 0.00 1.13 5.08 0.27 -2.76 114.58 118.12 1jeq h GLU 601 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1jeq h GLU 601 Cb 0.34 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1jeq h GLU 601 CO 0.00 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.12 1jeq n ALA 602 N -2.19 -0.20 -0.33 3.43 0.00 0.01 -1.37 120.51 119.87 1jeq n ALA 602 Ca -0.03 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.67 1jeq n ALA 602 Cb 0.05 0.16 0.51 0.00 0.00 0.00 0.00 19.45 20.17 1jeq n ALA 602 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jeq h LEU 603 N 0.00 0.41 -0.30 0.00 3.38 -1.48 0.39 115.31 117.71 1jeq h LEU 603 Ca 0.00 0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1jeq h LEU 603 Cb 0.00 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1jeq h LEU 603 CO 0.00 -0.26 -0.09 0.74 0.09 0.00 0.00 178.44 178.92 1jeq h THR 604 N 0.19 1.29 -0.44 0.22 2.02 -1.36 -3.06 112.91 111.77 1jeq h THR 604 Ca 0.77 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 1jeq h THR 604 Cb 1.87 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.68 1jeq h THR 604 CO -0.68 0.37 0.06 0.50 0.37 0.00 0.00 175.52 176.15 1jeq h LYS 605 N 0.35 0.73 -0.69 6.66 3.64 0.83 -1.47 116.57 126.62 1jeq h LYS 605 Ca 0.07 -0.20 0.20 0.00 -1.27 0.00 0.00 60.65 59.45 1jeq h LYS 605 Cb 0.59 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1jeq h LYS 605 CO 0.03 0.76 0.50 1.25 -2.27 0.00 0.00 179.45 179.72 1jeq h HIS 606 N 0.59 0.03 0.00 1.91 2.76 -0.36 -1.16 115.15 118.92 1jeq h HIS 606 Ca 0.13 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1jeq h HIS 606 Cb 0.39 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1jeq h HIS 606 CO 0.03 0.01 -0.32 1.19 -1.30 0.00 0.00 177.93 177.53 1jeq n PHE 607 N -4.34 0.16 -0.07 5.26 3.01 -1.08 -4.74 117.46 115.66 1jeq n PHE 607 Ca 0.14 0.07 -0.12 0.00 1.01 0.00 0.00 57.45 58.55 1jeq n PHE 607 Cb 0.75 -0.31 -0.05 0.00 -0.01 0.00 0.00 39.48 39.86 1jeq n PHE 607 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1jeq h GLN 608 N -0.40 0.42 -0.02 -1.08 5.75 -1.34 -3.52 115.11 114.91 1jeq h GLN 608 Ca 0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1jeq h GLN 608 Cb 0.32 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1jeq h GLN 608 CO 0.00 0.66 0.00 -3.47 -2.65 0.00 0.00 178.83 173.37